USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 293 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 1.71 K(o=1.7,f=-0.002) USER MOD Single : A 7 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 13 THR OG1 : rot -72:sc= 1.18 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0234) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 1.29 (180deg=1.14) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.3) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.666 -11.688 -2.714 1.00 0.00 N ATOM 2 CA GLY A 1 16.255 -12.122 -1.365 1.00 0.00 C ATOM 3 C GLY A 1 15.029 -11.351 -0.889 1.00 0.00 C ATOM 4 O GLY A 1 13.938 -11.508 -1.448 1.00 0.00 O ATOM 0 H1 GLY A 1 17.502 -12.229 -3.013 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.888 -11.854 -3.384 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.897 -10.674 -2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.036 -13.190 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.077 -11.972 -0.665 1.00 0.00 H new ATOM 10 N SER A 2 15.200 -10.511 0.139 1.00 0.00 N ATOM 11 CA SER A 2 14.139 -9.726 0.769 1.00 0.00 C ATOM 12 C SER A 2 14.699 -8.356 1.177 1.00 0.00 C ATOM 13 O SER A 2 15.920 -8.175 1.265 1.00 0.00 O ATOM 14 CB SER A 2 13.603 -10.474 2.003 1.00 0.00 C ATOM 15 OG SER A 2 13.171 -11.791 1.683 1.00 0.00 O ATOM 0 H SER A 2 16.113 -10.356 0.567 1.00 0.00 H new ATOM 0 HA SER A 2 13.319 -9.582 0.065 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.382 -10.523 2.764 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.772 -9.915 2.433 1.00 0.00 H new ATOM 0 HG SER A 2 12.840 -12.232 2.493 1.00 0.00 H new ATOM 21 N GLY A 3 13.816 -7.393 1.440 1.00 0.00 N ATOM 22 CA GLY A 3 14.162 -6.037 1.844 1.00 0.00 C ATOM 23 C GLY A 3 12.893 -5.201 2.007 1.00 0.00 C ATOM 24 O GLY A 3 11.782 -5.711 1.828 1.00 0.00 O ATOM 0 H GLY A 3 12.809 -7.543 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 3 14.716 -6.058 2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 3 14.814 -5.582 1.099 1.00 0.00 H new ATOM 28 N GLN A 4 13.061 -3.919 2.343 1.00 0.00 N ATOM 29 CA GLN A 4 11.961 -2.978 2.578 1.00 0.00 C ATOM 30 C GLN A 4 12.271 -1.588 1.994 1.00 0.00 C ATOM 31 O GLN A 4 11.775 -0.573 2.494 1.00 0.00 O ATOM 32 CB GLN A 4 11.624 -2.946 4.082 1.00 0.00 C ATOM 33 CG GLN A 4 12.755 -2.402 4.984 1.00 0.00 C ATOM 34 CD GLN A 4 12.247 -1.325 5.947 1.00 0.00 C ATOM 35 OE1 GLN A 4 12.202 -1.517 7.160 1.00 0.00 O ATOM 36 NE2 GLN A 4 11.842 -0.182 5.419 1.00 0.00 N ATOM 0 H GLN A 4 13.982 -3.498 2.462 1.00 0.00 H new ATOM 0 HA GLN A 4 11.072 -3.320 2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 4 10.734 -2.334 4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 4 11.373 -3.956 4.406 1.00 0.00 H new ATOM 0 HG2 GLN A 4 13.192 -3.222 5.554 1.00 0.00 H new ATOM 0 HG3 GLN A 4 13.549 -1.988 4.362 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.887 -0.042 4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 4 11.484 0.560 6.021 1.00 0.00 H new ATOM 45 N VAL A 5 13.150 -1.525 0.988 1.00 0.00 N ATOM 46 CA VAL A 5 13.513 -0.283 0.310 1.00 0.00 C ATOM 47 C VAL A 5 12.267 0.246 -0.409 1.00 0.00 C ATOM 48 O VAL A 5 11.595 -0.503 -1.127 1.00 0.00 O ATOM 49 CB VAL A 5 14.686 -0.516 -0.672 1.00 0.00 C ATOM 50 CG1 VAL A 5 15.233 0.820 -1.200 1.00 0.00 C ATOM 51 CG2 VAL A 5 15.860 -1.290 -0.041 1.00 0.00 C ATOM 0 H VAL A 5 13.632 -2.345 0.620 1.00 0.00 H new ATOM 0 HA VAL A 5 13.856 0.458 1.033 1.00 0.00 H new ATOM 0 HB VAL A 5 14.270 -1.115 -1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 5 16.057 0.629 -1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.441 1.357 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.590 1.423 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 5 16.650 -1.420 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 5 16.249 -0.731 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.513 -2.267 0.295 1.00 0.00 H new ATOM 61 N ARG A 6 11.972 1.538 -0.241 1.00 0.00 N ATOM 62 CA ARG A 6 10.940 2.253 -0.989 1.00 0.00 C ATOM 63 C ARG A 6 11.283 3.738 -0.988 1.00 0.00 C ATOM 64 O ARG A 6 12.000 4.197 -0.098 1.00 0.00 O ATOM 65 CB ARG A 6 9.547 1.995 -0.372 1.00 0.00 C ATOM 66 CG ARG A 6 9.360 2.569 1.044 1.00 0.00 C ATOM 67 CD ARG A 6 8.026 2.104 1.643 1.00 0.00 C ATOM 68 NE ARG A 6 7.690 2.832 2.880 1.00 0.00 N ATOM 69 CZ ARG A 6 8.238 2.658 4.091 1.00 0.00 C ATOM 70 NH1 ARG A 6 9.188 1.752 4.293 1.00 0.00 N ATOM 71 NH2 ARG A 6 7.832 3.402 5.110 1.00 0.00 N ATOM 0 H ARG A 6 12.457 2.128 0.435 1.00 0.00 H new ATOM 0 HA ARG A 6 10.906 1.894 -2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.788 2.423 -1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.371 0.920 -0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.183 2.250 1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.389 3.658 1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.231 2.247 0.911 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.076 1.036 1.854 1.00 0.00 H new ATOM 0 HE ARG A 6 6.963 3.544 2.807 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.513 1.173 3.519 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.592 1.635 5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.105 4.104 4.971 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.246 3.273 6.033 1.00 0.00 H new ATOM 85 N THR A 7 10.771 4.482 -1.961 1.00 0.00 N ATOM 86 CA THR A 7 10.828 5.940 -1.969 1.00 0.00 C ATOM 87 C THR A 7 9.698 6.469 -1.080 1.00 0.00 C ATOM 88 O THR A 7 8.713 5.773 -0.808 1.00 0.00 O ATOM 89 CB THR A 7 10.723 6.431 -3.428 1.00 0.00 C ATOM 90 OG1 THR A 7 11.534 5.620 -4.263 1.00 0.00 O ATOM 91 CG2 THR A 7 11.203 7.872 -3.626 1.00 0.00 C ATOM 0 H THR A 7 10.300 4.087 -2.775 1.00 0.00 H new ATOM 0 HA THR A 7 11.770 6.314 -1.568 1.00 0.00 H new ATOM 0 HB THR A 7 9.664 6.374 -3.681 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.465 5.932 -5.189 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.100 8.149 -4.675 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.602 8.543 -3.013 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.249 7.951 -3.331 1.00 0.00 H new ATOM 99 N ILE A 8 9.844 7.719 -0.645 1.00 0.00 N ATOM 100 CA ILE A 8 8.870 8.442 0.179 1.00 0.00 C ATOM 101 C ILE A 8 8.460 9.733 -0.548 1.00 0.00 C ATOM 102 O ILE A 8 9.136 10.147 -1.489 1.00 0.00 O ATOM 103 CB ILE A 8 9.433 8.689 1.606 1.00 0.00 C ATOM 104 CG1 ILE A 8 10.421 9.869 1.679 1.00 0.00 C ATOM 105 CG2 ILE A 8 10.095 7.414 2.173 1.00 0.00 C ATOM 106 CD1 ILE A 8 10.770 10.221 3.129 1.00 0.00 C ATOM 0 H ILE A 8 10.670 8.277 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 8 7.970 7.843 0.317 1.00 0.00 H new ATOM 0 HB ILE A 8 8.572 8.955 2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.332 9.617 1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.987 10.739 1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.480 7.617 3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.357 6.613 2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.916 7.110 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.469 11.057 3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.862 10.498 3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.228 9.358 3.613 1.00 0.00 H new ATOM 118 N TRP A 9 7.397 10.398 -0.084 1.00 0.00 N ATOM 119 CA TRP A 9 7.002 11.737 -0.533 1.00 0.00 C ATOM 120 C TRP A 9 6.364 12.482 0.654 1.00 0.00 C ATOM 121 O TRP A 9 5.263 13.029 0.571 1.00 0.00 O ATOM 122 CB TRP A 9 6.116 11.646 -1.796 1.00 0.00 C ATOM 123 CG TRP A 9 6.500 12.583 -2.906 1.00 0.00 C ATOM 124 CD1 TRP A 9 6.944 12.190 -4.121 1.00 0.00 C ATOM 125 CD2 TRP A 9 6.524 14.049 -2.936 1.00 0.00 C ATOM 126 NE1 TRP A 9 7.224 13.292 -4.902 1.00 0.00 N ATOM 127 CE2 TRP A 9 6.992 14.468 -4.221 1.00 0.00 C ATOM 128 CE3 TRP A 9 6.209 15.074 -2.016 1.00 0.00 C ATOM 129 CZ2 TRP A 9 7.131 15.821 -4.570 1.00 0.00 C ATOM 130 CZ3 TRP A 9 6.356 16.434 -2.350 1.00 0.00 C ATOM 131 CH2 TRP A 9 6.813 16.810 -3.625 1.00 0.00 C ATOM 0 H TRP A 9 6.775 10.013 0.627 1.00 0.00 H new ATOM 0 HA TRP A 9 7.866 12.324 -0.845 1.00 0.00 H new ATOM 0 HB2 TRP A 9 6.151 10.624 -2.174 1.00 0.00 H new ATOM 0 HB3 TRP A 9 5.083 11.846 -1.513 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.062 11.163 -4.434 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.561 13.243 -5.864 1.00 0.00 H new ATOM 0 HE3 TRP A 9 5.847 14.808 -1.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 7.479 16.098 -5.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 6.116 17.194 -1.621 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.919 17.855 -3.877 1.00 0.00 H new ATOM 142 N VAL A 10 7.012 12.394 1.818 1.00 0.00 N ATOM 143 CA VAL A 10 6.461 12.862 3.083 1.00 0.00 C ATOM 144 C VAL A 10 6.409 14.397 3.119 1.00 0.00 C ATOM 145 O VAL A 10 7.314 15.082 2.629 1.00 0.00 O ATOM 146 CB VAL A 10 7.269 12.225 4.233 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.703 12.755 4.320 1.00 0.00 C ATOM 148 CG2 VAL A 10 6.596 12.346 5.604 1.00 0.00 C ATOM 0 H VAL A 10 7.945 11.990 1.905 1.00 0.00 H new ATOM 0 HA VAL A 10 5.425 12.545 3.202 1.00 0.00 H new ATOM 0 HB VAL A 10 7.302 11.167 3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.221 12.270 5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.227 12.541 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.683 13.832 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.224 11.875 6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.459 13.399 5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.626 11.850 5.578 1.00 0.00 H new ATOM 158 N GLY A 11 5.364 14.932 3.747 1.00 0.00 N ATOM 159 CA GLY A 11 5.217 16.350 4.016 1.00 0.00 C ATOM 160 C GLY A 11 3.958 16.609 4.835 1.00 0.00 C ATOM 161 O GLY A 11 3.066 15.758 4.890 1.00 0.00 O ATOM 0 H GLY A 11 4.581 14.374 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.091 16.717 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.167 16.901 3.077 1.00 0.00 H new ATOM 165 N GLY A 12 3.906 17.758 5.514 1.00 0.00 N ATOM 166 CA GLY A 12 2.812 18.141 6.405 1.00 0.00 C ATOM 167 C GLY A 12 2.565 17.148 7.550 1.00 0.00 C ATOM 168 O GLY A 12 1.478 17.150 8.129 1.00 0.00 O ATOM 0 H GLY A 12 4.641 18.463 5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.028 19.122 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.898 18.240 5.820 1.00 0.00 H new ATOM 172 N THR A 13 3.541 16.291 7.868 1.00 0.00 N ATOM 173 CA THR A 13 3.404 15.157 8.775 1.00 0.00 C ATOM 174 C THR A 13 4.725 14.997 9.546 1.00 0.00 C ATOM 175 O THR A 13 5.510 14.092 9.255 1.00 0.00 O ATOM 176 CB THR A 13 2.984 13.892 7.988 1.00 0.00 C ATOM 177 OG1 THR A 13 3.629 13.791 6.727 1.00 0.00 O ATOM 178 CG2 THR A 13 1.474 13.850 7.727 1.00 0.00 C ATOM 0 H THR A 13 4.482 16.375 7.484 1.00 0.00 H new ATOM 0 HA THR A 13 2.612 15.324 9.505 1.00 0.00 H new ATOM 0 HB THR A 13 3.284 13.060 8.625 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.260 14.462 6.116 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.226 12.945 7.172 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.940 13.851 8.677 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.181 14.724 7.145 1.00 0.00 H new ATOM 186 N PRO A 14 5.048 15.899 10.495 1.00 0.00 N ATOM 187 CA PRO A 14 6.318 15.856 11.211 1.00 0.00 C ATOM 188 C PRO A 14 6.515 14.553 11.997 1.00 0.00 C ATOM 189 O PRO A 14 7.652 14.143 12.222 1.00 0.00 O ATOM 190 CB PRO A 14 6.339 17.097 12.109 1.00 0.00 C ATOM 191 CG PRO A 14 4.862 17.448 12.283 1.00 0.00 C ATOM 192 CD PRO A 14 4.242 17.021 10.955 1.00 0.00 C ATOM 0 HA PRO A 14 7.155 15.867 10.513 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.816 16.889 13.067 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.893 17.915 11.648 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.418 16.915 13.124 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.721 18.513 12.469 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.200 16.729 11.084 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.258 17.838 10.233 1.00 0.00 H new ATOM 200 N GLU A 15 5.436 13.860 12.366 1.00 0.00 N ATOM 201 CA GLU A 15 5.497 12.548 12.994 1.00 0.00 C ATOM 202 C GLU A 15 6.148 11.547 12.035 1.00 0.00 C ATOM 203 O GLU A 15 6.962 10.718 12.437 1.00 0.00 O ATOM 204 CB GLU A 15 4.091 12.054 13.384 1.00 0.00 C ATOM 205 CG GLU A 15 3.265 13.030 14.245 1.00 0.00 C ATOM 206 CD GLU A 15 2.484 14.110 13.460 1.00 0.00 C ATOM 207 OE1 GLU A 15 2.685 14.280 12.235 1.00 0.00 O ATOM 208 OE2 GLU A 15 1.651 14.807 14.086 1.00 0.00 O ATOM 0 H GLU A 15 4.485 14.203 12.233 1.00 0.00 H new ATOM 0 HA GLU A 15 6.095 12.630 13.902 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.534 11.839 12.472 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.192 11.113 13.926 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.556 12.453 14.839 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.936 13.528 14.945 1.00 0.00 H new ATOM 215 N GLU A 16 5.829 11.640 10.744 1.00 0.00 N ATOM 216 CA GLU A 16 6.344 10.727 9.737 1.00 0.00 C ATOM 217 C GLU A 16 7.766 11.102 9.345 1.00 0.00 C ATOM 218 O GLU A 16 8.524 10.220 8.963 1.00 0.00 O ATOM 219 CB GLU A 16 5.403 10.649 8.530 1.00 0.00 C ATOM 220 CG GLU A 16 4.092 9.985 8.967 1.00 0.00 C ATOM 221 CD GLU A 16 3.132 9.713 7.794 1.00 0.00 C ATOM 222 OE1 GLU A 16 3.502 8.986 6.844 1.00 0.00 O ATOM 223 OE2 GLU A 16 1.968 10.173 7.842 1.00 0.00 O ATOM 0 H GLU A 16 5.204 12.355 10.371 1.00 0.00 H new ATOM 0 HA GLU A 16 6.385 9.726 10.165 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.208 11.647 8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.866 10.076 7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.318 9.044 9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.593 10.624 9.696 1.00 0.00 H new ATOM 230 N LEU A 17 8.189 12.359 9.514 1.00 0.00 N ATOM 231 CA LEU A 17 9.598 12.708 9.372 1.00 0.00 C ATOM 232 C LEU A 17 10.387 11.921 10.415 1.00 0.00 C ATOM 233 O LEU A 17 11.464 11.420 10.103 1.00 0.00 O ATOM 234 CB LEU A 17 9.859 14.216 9.556 1.00 0.00 C ATOM 235 CG LEU A 17 9.175 15.134 8.529 1.00 0.00 C ATOM 236 CD1 LEU A 17 9.423 16.605 8.887 1.00 0.00 C ATOM 237 CD2 LEU A 17 9.674 14.891 7.106 1.00 0.00 C ATOM 0 H LEU A 17 7.579 13.142 9.747 1.00 0.00 H new ATOM 0 HA LEU A 17 9.913 12.457 8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.529 14.506 10.554 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.934 14.389 9.513 1.00 0.00 H new ATOM 0 HG LEU A 17 8.110 14.903 8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.934 17.246 8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.017 16.812 9.877 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.495 16.804 8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.160 15.564 6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.747 15.076 7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.472 13.859 6.821 1.00 0.00 H new ATOM 249 N LYS A 18 9.844 11.755 11.630 1.00 0.00 N ATOM 250 CA LYS A 18 10.534 11.014 12.684 1.00 0.00 C ATOM 251 C LYS A 18 10.510 9.526 12.361 1.00 0.00 C ATOM 252 O LYS A 18 11.564 8.892 12.374 1.00 0.00 O ATOM 253 CB LYS A 18 9.921 11.299 14.066 1.00 0.00 C ATOM 254 CG LYS A 18 10.115 12.762 14.495 1.00 0.00 C ATOM 255 CD LYS A 18 9.443 13.037 15.846 1.00 0.00 C ATOM 256 CE LYS A 18 9.627 14.512 16.230 1.00 0.00 C ATOM 257 NZ LYS A 18 9.005 14.834 17.539 1.00 0.00 N ATOM 0 H LYS A 18 8.933 12.124 11.902 1.00 0.00 H new ATOM 0 HA LYS A 18 11.571 11.347 12.725 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.856 11.066 14.045 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.376 10.641 14.806 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.180 12.986 14.563 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.698 13.425 13.737 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.381 12.796 15.790 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.875 12.396 16.614 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.691 14.745 16.268 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.190 15.144 15.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.155 15.840 17.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.985 14.637 17.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.439 14.251 18.283 1.00 0.00 H new ATOM 271 N LYS A 19 9.344 8.962 12.028 1.00 0.00 N ATOM 272 CA LYS A 19 9.230 7.530 11.735 1.00 0.00 C ATOM 273 C LYS A 19 10.099 7.144 10.540 1.00 0.00 C ATOM 274 O LYS A 19 10.820 6.152 10.602 1.00 0.00 O ATOM 275 CB LYS A 19 7.767 7.139 11.472 1.00 0.00 C ATOM 276 CG LYS A 19 6.891 7.253 12.730 1.00 0.00 C ATOM 277 CD LYS A 19 5.411 7.020 12.395 1.00 0.00 C ATOM 278 CE LYS A 19 4.493 7.222 13.613 1.00 0.00 C ATOM 279 NZ LYS A 19 4.675 6.185 14.660 1.00 0.00 N ATOM 0 H LYS A 19 8.466 9.476 11.955 1.00 0.00 H new ATOM 0 HA LYS A 19 9.584 6.985 12.610 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.358 7.779 10.690 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.729 6.116 11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.218 6.525 13.472 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.015 8.240 13.175 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.110 7.702 11.600 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.283 6.008 12.012 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.685 8.204 14.046 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.454 7.217 13.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.030 6.376 15.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.465 5.248 14.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.657 6.204 15.001 1.00 0.00 H new ATOM 293 N LEU A 20 10.058 7.919 9.456 1.00 0.00 N ATOM 294 CA LEU A 20 10.811 7.601 8.249 1.00 0.00 C ATOM 295 C LEU A 20 12.300 7.861 8.475 1.00 0.00 C ATOM 296 O LEU A 20 13.114 7.089 7.970 1.00 0.00 O ATOM 297 CB LEU A 20 10.257 8.361 7.030 1.00 0.00 C ATOM 298 CG LEU A 20 8.786 8.014 6.694 1.00 0.00 C ATOM 299 CD1 LEU A 20 8.278 8.873 5.540 1.00 0.00 C ATOM 300 CD2 LEU A 20 8.587 6.538 6.334 1.00 0.00 C ATOM 0 H LEU A 20 9.507 8.775 9.392 1.00 0.00 H new ATOM 0 HA LEU A 20 10.693 6.540 8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.335 9.432 7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.880 8.141 6.163 1.00 0.00 H new ATOM 0 HG LEU A 20 8.216 8.220 7.600 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.243 8.612 5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.336 9.926 5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.892 8.696 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.536 6.357 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.193 6.291 5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.890 5.914 7.175 1.00 0.00 H new ATOM 312 N LYS A 21 12.691 8.871 9.269 1.00 0.00 N ATOM 313 CA LYS A 21 14.097 8.999 9.678 1.00 0.00 C ATOM 314 C LYS A 21 14.533 7.767 10.474 1.00 0.00 C ATOM 315 O LYS A 21 15.639 7.274 10.260 1.00 0.00 O ATOM 316 CB LYS A 21 14.316 10.303 10.467 1.00 0.00 C ATOM 317 CG LYS A 21 15.745 10.542 10.986 1.00 0.00 C ATOM 318 CD LYS A 21 16.821 10.491 9.887 1.00 0.00 C ATOM 319 CE LYS A 21 18.196 10.979 10.369 1.00 0.00 C ATOM 320 NZ LYS A 21 18.240 12.442 10.629 1.00 0.00 N ATOM 0 H LYS A 21 12.070 9.594 9.633 1.00 0.00 H new ATOM 0 HA LYS A 21 14.722 9.053 8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 21 14.037 11.142 9.830 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.635 10.309 11.318 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.786 11.515 11.476 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.977 9.793 11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.912 9.468 9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.500 11.102 9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.464 10.446 11.281 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.947 10.727 9.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.215 12.726 10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.915 12.955 9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.621 12.671 11.433 1.00 0.00 H new ATOM 334 N GLU A 22 13.682 7.241 11.356 1.00 0.00 N ATOM 335 CA GLU A 22 13.997 6.038 12.111 1.00 0.00 C ATOM 336 C GLU A 22 14.195 4.857 11.154 1.00 0.00 C ATOM 337 O GLU A 22 15.150 4.108 11.320 1.00 0.00 O ATOM 338 CB GLU A 22 12.911 5.755 13.164 1.00 0.00 C ATOM 339 CG GLU A 22 13.408 4.854 14.305 1.00 0.00 C ATOM 340 CD GLU A 22 14.203 5.634 15.371 1.00 0.00 C ATOM 341 OE1 GLU A 22 15.289 6.172 15.063 1.00 0.00 O ATOM 342 OE2 GLU A 22 13.749 5.699 16.538 1.00 0.00 O ATOM 0 H GLU A 22 12.765 7.636 11.563 1.00 0.00 H new ATOM 0 HA GLU A 22 14.931 6.188 12.652 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.560 6.699 13.580 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.056 5.282 12.680 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.555 4.367 14.777 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.037 4.065 13.893 1.00 0.00 H new ATOM 349 N GLU A 23 13.368 4.711 10.113 1.00 0.00 N ATOM 350 CA GLU A 23 13.553 3.670 9.102 1.00 0.00 C ATOM 351 C GLU A 23 14.864 3.856 8.334 1.00 0.00 C ATOM 352 O GLU A 23 15.561 2.872 8.084 1.00 0.00 O ATOM 353 CB GLU A 23 12.381 3.623 8.113 1.00 0.00 C ATOM 354 CG GLU A 23 11.122 2.990 8.719 1.00 0.00 C ATOM 355 CD GLU A 23 10.096 2.641 7.631 1.00 0.00 C ATOM 356 OE1 GLU A 23 10.389 1.783 6.768 1.00 0.00 O ATOM 357 OE2 GLU A 23 8.984 3.212 7.620 1.00 0.00 O ATOM 0 H GLU A 23 12.557 5.308 9.950 1.00 0.00 H new ATOM 0 HA GLU A 23 13.593 2.723 9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.150 4.635 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.678 3.058 7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.394 2.089 9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.675 3.678 9.436 1.00 0.00 H new ATOM 364 N ALA A 24 15.238 5.092 7.989 1.00 0.00 N ATOM 365 CA ALA A 24 16.510 5.361 7.327 1.00 0.00 C ATOM 366 C ALA A 24 17.675 4.922 8.213 1.00 0.00 C ATOM 367 O ALA A 24 18.605 4.275 7.734 1.00 0.00 O ATOM 368 CB ALA A 24 16.618 6.845 6.966 1.00 0.00 C ATOM 0 H ALA A 24 14.672 5.923 8.160 1.00 0.00 H new ATOM 0 HA ALA A 24 16.555 4.785 6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.572 7.031 6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.803 7.116 6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.556 7.446 7.873 1.00 0.00 H new ATOM 374 N LYS A 25 17.611 5.210 9.514 1.00 0.00 N ATOM 375 CA LYS A 25 18.617 4.756 10.470 1.00 0.00 C ATOM 376 C LYS A 25 18.576 3.232 10.626 1.00 0.00 C ATOM 377 O LYS A 25 19.631 2.614 10.781 1.00 0.00 O ATOM 378 CB LYS A 25 18.381 5.441 11.825 1.00 0.00 C ATOM 379 CG LYS A 25 18.646 6.959 11.788 1.00 0.00 C ATOM 380 CD LYS A 25 17.960 7.690 12.950 1.00 0.00 C ATOM 381 CE LYS A 25 18.489 7.236 14.320 1.00 0.00 C ATOM 382 NZ LYS A 25 17.596 7.653 15.426 1.00 0.00 N ATOM 0 H LYS A 25 16.862 5.763 9.932 1.00 0.00 H new ATOM 0 HA LYS A 25 19.605 5.026 10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 25 17.353 5.265 12.140 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.027 4.983 12.574 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.720 7.141 11.829 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.289 7.367 10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.113 8.764 12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.885 7.515 12.902 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.592 6.151 14.327 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.484 7.652 14.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.104 7.575 16.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.299 8.639 15.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.757 7.038 15.446 1.00 0.00 H new ATOM 396 N LYS A 26 17.389 2.616 10.601 1.00 0.00 N ATOM 397 CA LYS A 26 17.222 1.206 10.955 1.00 0.00 C ATOM 398 C LYS A 26 17.603 0.282 9.802 1.00 0.00 C ATOM 399 O LYS A 26 18.236 -0.747 10.041 1.00 0.00 O ATOM 400 CB LYS A 26 15.766 0.968 11.399 1.00 0.00 C ATOM 401 CG LYS A 26 15.516 -0.455 11.925 1.00 0.00 C ATOM 402 CD LYS A 26 14.073 -0.600 12.436 1.00 0.00 C ATOM 403 CE LYS A 26 13.802 -1.977 13.062 1.00 0.00 C ATOM 404 NZ LYS A 26 13.824 -3.088 12.075 1.00 0.00 N ATOM 0 H LYS A 26 16.521 3.081 10.335 1.00 0.00 H new ATOM 0 HA LYS A 26 17.896 0.970 11.778 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.509 1.686 12.178 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.101 1.159 10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.700 -1.179 11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.216 -0.679 12.730 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.874 0.176 13.175 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.381 -0.438 11.609 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.548 -2.171 13.833 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.830 -1.959 13.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.635 -3.988 12.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.094 -2.925 11.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.758 -3.130 11.620 1.00 0.00 H new ATOM 418 N ALA A 27 17.236 0.640 8.569 1.00 0.00 N ATOM 419 CA ALA A 27 17.328 -0.236 7.404 1.00 0.00 C ATOM 420 C ALA A 27 18.017 0.429 6.204 1.00 0.00 C ATOM 421 O ALA A 27 17.989 -0.133 5.110 1.00 0.00 O ATOM 422 CB ALA A 27 15.910 -0.719 7.056 1.00 0.00 C ATOM 0 H ALA A 27 16.860 1.563 8.351 1.00 0.00 H new ATOM 0 HA ALA A 27 17.963 -1.087 7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.952 -1.376 6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.493 -1.264 7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.278 0.140 6.831 1.00 0.00 H new ATOM 428 N ASN A 28 18.634 1.606 6.385 1.00 0.00 N ATOM 429 CA ASN A 28 19.379 2.363 5.363 1.00 0.00 C ATOM 430 C ASN A 28 18.514 2.852 4.192 1.00 0.00 C ATOM 431 O ASN A 28 19.051 3.326 3.189 1.00 0.00 O ATOM 432 CB ASN A 28 20.575 1.536 4.854 1.00 0.00 C ATOM 433 CG ASN A 28 21.633 2.385 4.149 1.00 0.00 C ATOM 434 OD1 ASN A 28 21.921 2.194 2.969 1.00 0.00 O ATOM 435 ND2 ASN A 28 22.261 3.314 4.852 1.00 0.00 N ATOM 0 H ASN A 28 18.628 2.079 7.288 1.00 0.00 H new ATOM 0 HA ASN A 28 19.740 3.266 5.856 1.00 0.00 H new ATOM 0 HB2 ASN A 28 21.035 1.017 5.695 1.00 0.00 H new ATOM 0 HB3 ASN A 28 20.214 0.771 4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 28 22.990 3.878 4.415 1.00 0.00 H new ATOM 0 HD22 ASN A 28 22.016 3.466 5.830 1.00 0.00 H new ATOM 442 N ILE A 29 17.189 2.700 4.275 1.00 0.00 N ATOM 443 CA ILE A 29 16.306 2.929 3.140 1.00 0.00 C ATOM 444 C ILE A 29 16.317 4.394 2.670 1.00 0.00 C ATOM 445 O ILE A 29 16.656 5.318 3.417 1.00 0.00 O ATOM 446 CB ILE A 29 14.901 2.341 3.405 1.00 0.00 C ATOM 447 CG1 ILE A 29 14.142 2.800 4.673 1.00 0.00 C ATOM 448 CG2 ILE A 29 15.020 0.811 3.508 1.00 0.00 C ATOM 449 CD1 ILE A 29 13.880 4.300 4.780 1.00 0.00 C ATOM 0 H ILE A 29 16.706 2.416 5.127 1.00 0.00 H new ATOM 0 HA ILE A 29 16.698 2.379 2.284 1.00 0.00 H new ATOM 0 HB ILE A 29 14.318 2.715 2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 29 13.185 2.279 4.710 1.00 0.00 H new ATOM 0 HG13 ILE A 29 14.710 2.486 5.548 1.00 0.00 H new ATOM 0 HG21 ILE A 29 14.036 0.381 3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 29 15.418 0.413 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 29 15.690 0.553 4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.343 4.511 5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 29 14.829 4.836 4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 29 13.280 4.626 3.930 1.00 0.00 H new ATOM 461 N ARG A 30 15.966 4.589 1.395 1.00 0.00 N ATOM 462 CA ARG A 30 15.896 5.896 0.751 1.00 0.00 C ATOM 463 C ARG A 30 14.839 6.747 1.451 1.00 0.00 C ATOM 464 O ARG A 30 13.722 6.286 1.670 1.00 0.00 O ATOM 465 CB ARG A 30 15.586 5.666 -0.741 1.00 0.00 C ATOM 466 CG ARG A 30 15.371 6.947 -1.565 1.00 0.00 C ATOM 467 CD ARG A 30 15.385 6.677 -3.080 1.00 0.00 C ATOM 468 NE ARG A 30 14.384 5.675 -3.503 1.00 0.00 N ATOM 469 CZ ARG A 30 14.597 4.380 -3.776 1.00 0.00 C ATOM 470 NH1 ARG A 30 15.810 3.838 -3.683 1.00 0.00 N ATOM 471 NH2 ARG A 30 13.563 3.632 -4.140 1.00 0.00 N ATOM 0 H ARG A 30 15.718 3.821 0.771 1.00 0.00 H new ATOM 0 HA ARG A 30 16.838 6.440 0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.406 5.100 -1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.692 5.047 -0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 30 14.419 7.399 -1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 30 16.150 7.669 -1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.201 7.611 -3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 30 16.378 6.335 -3.372 1.00 0.00 H new ATOM 0 HE ARG A 30 13.424 6.006 -3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 30 16.604 4.411 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.945 2.850 -3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.633 4.045 -4.207 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.698 2.644 -4.353 1.00 0.00 H new ATOM 485 N VAL A 31 15.171 8.003 1.742 1.00 0.00 N ATOM 486 CA VAL A 31 14.241 8.996 2.265 1.00 0.00 C ATOM 487 C VAL A 31 14.544 10.327 1.571 1.00 0.00 C ATOM 488 O VAL A 31 15.704 10.632 1.276 1.00 0.00 O ATOM 489 CB VAL A 31 14.312 9.092 3.811 1.00 0.00 C ATOM 490 CG1 VAL A 31 13.730 7.839 4.487 1.00 0.00 C ATOM 491 CG2 VAL A 31 15.729 9.327 4.361 1.00 0.00 C ATOM 0 H VAL A 31 16.116 8.365 1.617 1.00 0.00 H new ATOM 0 HA VAL A 31 13.213 8.705 2.049 1.00 0.00 H new ATOM 0 HB VAL A 31 13.710 9.968 4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.798 7.945 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.685 7.722 4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.294 6.961 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.692 9.382 5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.377 8.503 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 31 16.123 10.262 3.963 1.00 0.00 H new ATOM 501 N THR A 32 13.496 11.106 1.304 1.00 0.00 N ATOM 502 CA THR A 32 13.565 12.419 0.669 1.00 0.00 C ATOM 503 C THR A 32 12.547 13.296 1.399 1.00 0.00 C ATOM 504 O THR A 32 11.341 13.057 1.319 1.00 0.00 O ATOM 505 CB THR A 32 13.277 12.310 -0.844 1.00 0.00 C ATOM 506 OG1 THR A 32 14.046 11.282 -1.449 1.00 0.00 O ATOM 507 CG2 THR A 32 13.603 13.619 -1.570 1.00 0.00 C ATOM 0 H THR A 32 12.542 10.829 1.533 1.00 0.00 H new ATOM 0 HA THR A 32 14.560 12.857 0.744 1.00 0.00 H new ATOM 0 HB THR A 32 12.215 12.083 -0.934 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.839 11.239 -2.406 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.389 13.508 -2.633 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.994 14.424 -1.159 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.658 13.857 -1.435 1.00 0.00 H new ATOM 515 N PHE A 33 13.033 14.268 2.170 1.00 0.00 N ATOM 516 CA PHE A 33 12.218 15.044 3.093 1.00 0.00 C ATOM 517 C PHE A 33 11.857 16.388 2.467 1.00 0.00 C ATOM 518 O PHE A 33 12.537 17.394 2.686 1.00 0.00 O ATOM 519 CB PHE A 33 12.954 15.182 4.437 1.00 0.00 C ATOM 520 CG PHE A 33 13.209 13.873 5.167 1.00 0.00 C ATOM 521 CD1 PHE A 33 12.123 13.061 5.540 1.00 0.00 C ATOM 522 CD2 PHE A 33 14.515 13.483 5.523 1.00 0.00 C ATOM 523 CE1 PHE A 33 12.323 11.904 6.308 1.00 0.00 C ATOM 524 CE2 PHE A 33 14.722 12.303 6.261 1.00 0.00 C ATOM 525 CZ PHE A 33 13.626 11.519 6.664 1.00 0.00 C ATOM 0 H PHE A 33 14.016 14.539 2.168 1.00 0.00 H new ATOM 0 HA PHE A 33 11.277 14.531 3.293 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.910 15.675 4.262 1.00 0.00 H new ATOM 0 HB3 PHE A 33 12.373 15.836 5.087 1.00 0.00 H new ATOM 0 HD1 PHE A 33 11.124 13.331 5.232 1.00 0.00 H new ATOM 0 HD2 PHE A 33 15.358 14.090 5.229 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.478 11.311 6.625 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.726 11.998 6.519 1.00 0.00 H new ATOM 0 HZ PHE A 33 13.786 10.623 7.246 1.00 0.00 H new ATOM 535 N TRP A 34 10.785 16.400 1.670 1.00 0.00 N ATOM 536 CA TRP A 34 10.201 17.647 1.180 1.00 0.00 C ATOM 537 C TRP A 34 9.645 18.465 2.343 1.00 0.00 C ATOM 538 O TRP A 34 9.909 19.663 2.444 1.00 0.00 O ATOM 539 CB TRP A 34 9.105 17.364 0.144 1.00 0.00 C ATOM 540 CG TRP A 34 9.624 17.055 -1.224 1.00 0.00 C ATOM 541 CD1 TRP A 34 9.954 17.984 -2.146 1.00 0.00 C ATOM 542 CD2 TRP A 34 9.897 15.764 -1.848 1.00 0.00 C ATOM 543 NE1 TRP A 34 10.404 17.368 -3.294 1.00 0.00 N ATOM 544 CE2 TRP A 34 10.387 15.995 -3.170 1.00 0.00 C ATOM 545 CE3 TRP A 34 9.789 14.420 -1.429 1.00 0.00 C ATOM 546 CZ2 TRP A 34 10.741 14.949 -4.036 1.00 0.00 C ATOM 547 CZ3 TRP A 34 10.140 13.365 -2.293 1.00 0.00 C ATOM 548 CH2 TRP A 34 10.610 13.623 -3.593 1.00 0.00 C ATOM 0 H TRP A 34 10.305 15.558 1.351 1.00 0.00 H new ATOM 0 HA TRP A 34 10.985 18.227 0.693 1.00 0.00 H new ATOM 0 HB2 TRP A 34 8.501 16.525 0.490 1.00 0.00 H new ATOM 0 HB3 TRP A 34 8.445 18.229 0.084 1.00 0.00 H new ATOM 0 HD1 TRP A 34 9.877 19.052 -2.005 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.711 17.865 -4.130 1.00 0.00 H new ATOM 0 HE3 TRP A 34 9.433 14.198 -0.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 11.109 15.161 -5.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 10.047 12.344 -1.953 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.869 12.804 -4.248 1.00 0.00 H new ATOM 559 N GLY A 35 8.877 17.815 3.221 1.00 0.00 N ATOM 560 CA GLY A 35 8.272 18.444 4.392 1.00 0.00 C ATOM 561 C GLY A 35 6.972 19.194 4.066 1.00 0.00 C ATOM 562 O GLY A 35 6.212 19.494 4.985 1.00 0.00 O ATOM 0 H GLY A 35 8.656 16.823 3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.066 17.680 5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.986 19.140 4.833 1.00 0.00 H new ATOM 566 N ASP A 36 6.682 19.412 2.775 1.00 0.00 N ATOM 567 CA ASP A 36 5.604 20.244 2.230 1.00 0.00 C ATOM 568 C ASP A 36 5.379 21.515 3.060 1.00 0.00 C ATOM 569 O ASP A 36 6.286 22.372 3.045 1.00 0.00 O ATOM 570 CB ASP A 36 4.319 19.435 2.000 1.00 0.00 C ATOM 571 CG ASP A 36 3.197 20.315 1.414 1.00 0.00 C ATOM 572 OD1 ASP A 36 3.468 21.145 0.515 1.00 0.00 O ATOM 573 OD2 ASP A 36 2.019 20.136 1.802 1.00 0.00 O ATOM 574 OXT ASP A 36 4.339 21.670 3.734 1.00 0.00 O ATOM 0 H ASP A 36 7.234 18.980 2.034 1.00 0.00 H new ATOM 0 HA ASP A 36 5.924 20.587 1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.525 18.607 1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.987 19.000 2.943 1.00 0.00 H new TER 579 ASP A 36