USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 270 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 3 THR OG1 : rot -64:sc= -0.243 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0401 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.0203 (180deg=-0.35) USER MOD Single : A 12 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= 0.0643 (180deg=-0.0493) USER MOD Single : A 25 ASN : amide:sc= -0.99 K(o=-0.99,f=-2.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -125:sc= -0.579 (180deg=-6.28!) USER MOD Single : A 30 ASN : amide:sc= -0.864 K(o=-0.86,f=-2.2) USER MOD Single : A 32 LYS NZ :NH3+ -151:sc= 0.0208 (180deg=-1.56!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.764 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00523 USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 3.731 0.919 -1.585 1.00 1.00 N ATOM 16 CA PHE A 2 4.339 2.167 -2.067 1.00 1.00 C ATOM 17 C PHE A 2 3.300 2.988 -2.840 1.00 1.00 C ATOM 18 O PHE A 2 2.305 2.467 -3.305 1.00 1.00 O ATOM 19 CB PHE A 2 5.479 1.752 -2.948 1.00 1.00 C ATOM 20 CG PHE A 2 6.741 1.379 -2.152 1.00 1.00 C ATOM 21 CD1 PHE A 2 6.782 0.240 -1.366 1.00 1.00 C ATOM 22 CD2 PHE A 2 7.862 2.186 -2.220 1.00 1.00 C ATOM 23 CE1 PHE A 2 7.926 -0.072 -0.662 1.00 1.00 C ATOM 24 CE2 PHE A 2 9.004 1.863 -1.518 1.00 1.00 C ATOM 25 CZ PHE A 2 9.036 0.730 -0.737 1.00 1.00 C ATOM 0 HA PHE A 2 4.693 2.798 -1.251 1.00 1.00 H new ATOM 0 HB2 PHE A 2 5.172 0.900 -3.554 1.00 1.00 H new ATOM 0 HB3 PHE A 2 5.715 2.564 -3.636 1.00 1.00 H new ATOM 0 HD1 PHE A 2 5.918 -0.404 -1.304 1.00 1.00 H new ATOM 0 HD2 PHE A 2 7.843 3.078 -2.829 1.00 1.00 H new ATOM 0 HE1 PHE A 2 7.948 -0.958 -0.045 1.00 1.00 H new ATOM 0 HE2 PHE A 2 9.874 2.500 -1.581 1.00 1.00 H new ATOM 0 HZ PHE A 2 9.929 0.474 -0.187 1.00 1.00 H new ATOM 35 N THR A 3 3.588 4.258 -2.939 1.00 1.00 N ATOM 36 CA THR A 3 2.694 5.217 -3.661 1.00 1.00 C ATOM 37 C THR A 3 3.547 6.099 -4.583 1.00 1.00 C ATOM 38 O THR A 3 4.759 5.998 -4.585 1.00 1.00 O ATOM 39 CB THR A 3 1.946 6.101 -2.632 1.00 1.00 C ATOM 40 OG1 THR A 3 2.981 6.780 -1.936 1.00 1.00 O ATOM 41 CG2 THR A 3 1.219 5.258 -1.561 1.00 1.00 C ATOM 0 H THR A 3 4.425 4.683 -2.541 1.00 1.00 H new ATOM 0 HA THR A 3 1.964 4.668 -4.255 1.00 1.00 H new ATOM 0 HB THR A 3 1.217 6.729 -3.143 1.00 1.00 H new ATOM 0 HG1 THR A 3 3.525 6.130 -1.444 1.00 1.00 H new ATOM 0 HG21 THR A 3 0.709 5.920 -0.861 1.00 1.00 H new ATOM 0 HG22 THR A 3 0.489 4.608 -2.043 1.00 1.00 H new ATOM 0 HG23 THR A 3 1.945 4.650 -1.021 1.00 1.00 H new ATOM 49 N ASP A 4 2.882 6.933 -5.339 1.00 1.00 N ATOM 50 CA ASP A 4 3.595 7.848 -6.282 1.00 1.00 C ATOM 51 C ASP A 4 3.181 9.304 -5.993 1.00 1.00 C ATOM 52 O ASP A 4 3.163 10.143 -6.875 1.00 1.00 O ATOM 53 CB ASP A 4 3.226 7.423 -7.713 1.00 1.00 C ATOM 54 CG ASP A 4 4.050 8.214 -8.751 1.00 1.00 C ATOM 55 OD1 ASP A 4 5.262 8.057 -8.719 1.00 1.00 O ATOM 56 OD2 ASP A 4 3.425 8.929 -9.515 1.00 1.00 O ATOM 0 H ASP A 4 1.866 7.021 -5.344 1.00 1.00 H new ATOM 0 HA ASP A 4 4.676 7.786 -6.159 1.00 1.00 H new ATOM 0 HB2 ASP A 4 3.405 6.355 -7.837 1.00 1.00 H new ATOM 0 HB3 ASP A 4 2.162 7.589 -7.883 1.00 1.00 H new ATOM 61 N VAL A 5 2.862 9.558 -4.747 1.00 1.00 N ATOM 62 CA VAL A 5 2.443 10.918 -4.302 1.00 1.00 C ATOM 63 C VAL A 5 3.538 11.520 -3.409 1.00 1.00 C ATOM 64 O VAL A 5 4.282 10.797 -2.775 1.00 1.00 O ATOM 65 CB VAL A 5 1.114 10.732 -3.553 1.00 1.00 C ATOM 66 CG1 VAL A 5 1.310 10.061 -2.171 1.00 1.00 C ATOM 67 CG2 VAL A 5 0.373 12.077 -3.401 1.00 1.00 C ATOM 0 H VAL A 5 2.876 8.859 -4.004 1.00 1.00 H new ATOM 0 HA VAL A 5 2.304 11.610 -5.133 1.00 1.00 H new ATOM 0 HB VAL A 5 0.502 10.062 -4.156 1.00 1.00 H new ATOM 0 HG11 VAL A 5 0.343 9.951 -1.680 1.00 1.00 H new ATOM 0 HG12 VAL A 5 1.763 9.079 -2.304 1.00 1.00 H new ATOM 0 HG13 VAL A 5 1.962 10.681 -1.555 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -0.564 11.918 -2.868 1.00 1.00 H new ATOM 0 HG22 VAL A 5 0.996 12.774 -2.840 1.00 1.00 H new ATOM 0 HG23 VAL A 5 0.163 12.490 -4.388 1.00 1.00 H new ATOM 77 N LYS A 6 3.595 12.828 -3.388 1.00 1.00 N ATOM 78 CA LYS A 6 4.622 13.524 -2.553 1.00 1.00 C ATOM 79 C LYS A 6 4.315 13.401 -1.047 1.00 1.00 C ATOM 80 O LYS A 6 3.168 13.212 -0.685 1.00 1.00 O ATOM 81 CB LYS A 6 4.667 15.016 -2.963 1.00 1.00 C ATOM 82 CG LYS A 6 3.290 15.696 -2.746 1.00 1.00 C ATOM 83 CD LYS A 6 3.382 17.173 -3.174 1.00 1.00 C ATOM 84 CE LYS A 6 2.019 17.852 -2.957 1.00 1.00 C ATOM 85 NZ LYS A 6 2.094 19.283 -3.368 1.00 1.00 N ATOM 0 H LYS A 6 2.975 13.444 -3.913 1.00 1.00 H new ATOM 0 HA LYS A 6 5.589 13.052 -2.726 1.00 1.00 H new ATOM 0 HB2 LYS A 6 5.428 15.534 -2.379 1.00 1.00 H new ATOM 0 HB3 LYS A 6 4.957 15.100 -4.010 1.00 1.00 H new ATOM 0 HG2 LYS A 6 2.522 15.184 -3.326 1.00 1.00 H new ATOM 0 HG3 LYS A 6 2.997 15.626 -1.698 1.00 1.00 H new ATOM 0 HD2 LYS A 6 4.152 17.684 -2.595 1.00 1.00 H new ATOM 0 HD3 LYS A 6 3.673 17.242 -4.222 1.00 1.00 H new ATOM 0 HE2 LYS A 6 1.251 17.338 -3.535 1.00 1.00 H new ATOM 0 HE3 LYS A 6 1.730 17.780 -1.908 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 1.170 19.736 -3.219 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 2.815 19.771 -2.798 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 2.350 19.342 -4.374 1.00 1.00 H new ATOM 99 N CYS A 7 5.328 13.507 -0.215 1.00 1.00 N ATOM 100 CA CYS A 7 5.100 13.406 1.257 1.00 1.00 C ATOM 101 C CYS A 7 5.857 14.507 2.003 1.00 1.00 C ATOM 102 O CYS A 7 6.825 15.048 1.505 1.00 1.00 O ATOM 103 CB CYS A 7 5.558 12.017 1.755 1.00 1.00 C ATOM 104 SG CYS A 7 7.242 11.435 1.435 1.00 1.00 S ATOM 0 H CYS A 7 6.297 13.658 -0.495 1.00 1.00 H new ATOM 0 HA CYS A 7 4.036 13.532 1.456 1.00 1.00 H new ATOM 0 HB2 CYS A 7 5.411 11.998 2.835 1.00 1.00 H new ATOM 0 HB3 CYS A 7 4.877 11.281 1.327 1.00 1.00 H new ATOM 109 N THR A 8 5.372 14.793 3.187 1.00 1.00 N ATOM 110 CA THR A 8 5.947 15.820 4.072 1.00 1.00 C ATOM 111 C THR A 8 5.998 15.268 5.503 1.00 1.00 C ATOM 112 O THR A 8 5.666 15.942 6.462 1.00 1.00 O ATOM 113 CB THR A 8 5.070 17.106 3.989 1.00 1.00 C ATOM 114 OG1 THR A 8 3.759 16.686 4.357 1.00 1.00 O ATOM 115 CG2 THR A 8 4.944 17.628 2.541 1.00 1.00 C ATOM 0 H THR A 8 4.558 14.323 3.583 1.00 1.00 H new ATOM 0 HA THR A 8 6.961 16.076 3.765 1.00 1.00 H new ATOM 0 HB THR A 8 5.508 17.885 4.613 1.00 1.00 H new ATOM 0 HG1 THR A 8 3.150 17.453 4.328 1.00 1.00 H new ATOM 0 HG21 THR A 8 4.325 18.525 2.530 1.00 1.00 H new ATOM 0 HG22 THR A 8 5.934 17.866 2.153 1.00 1.00 H new ATOM 0 HG23 THR A 8 4.484 16.862 1.917 1.00 1.00 H new ATOM 123 N GLY A 9 6.428 14.035 5.581 1.00 1.00 N ATOM 124 CA GLY A 9 6.551 13.319 6.887 1.00 1.00 C ATOM 125 C GLY A 9 5.679 12.061 6.884 1.00 1.00 C ATOM 126 O GLY A 9 4.845 11.878 6.017 1.00 1.00 O ATOM 0 H GLY A 9 6.706 13.480 4.772 1.00 1.00 H new ATOM 0 HA2 GLY A 9 7.592 13.049 7.065 1.00 1.00 H new ATOM 0 HA3 GLY A 9 6.249 13.978 7.701 1.00 1.00 H new ATOM 130 N SER A 10 5.903 11.231 7.870 1.00 1.00 N ATOM 131 CA SER A 10 5.152 9.973 8.012 1.00 1.00 C ATOM 132 C SER A 10 3.656 10.155 8.290 1.00 1.00 C ATOM 133 O SER A 10 2.842 9.689 7.524 1.00 1.00 O ATOM 134 CB SER A 10 5.792 9.166 9.131 1.00 1.00 C ATOM 135 OG SER A 10 7.115 8.915 8.673 1.00 1.00 O ATOM 0 H SER A 10 6.599 11.389 8.599 1.00 1.00 H new ATOM 0 HA SER A 10 5.205 9.456 7.054 1.00 1.00 H new ATOM 0 HB2 SER A 10 5.795 9.720 10.069 1.00 1.00 H new ATOM 0 HB3 SER A 10 5.251 8.237 9.311 1.00 1.00 H new ATOM 0 HG SER A 10 7.601 8.395 9.346 1.00 1.00 H new ATOM 141 N LYS A 11 3.349 10.820 9.376 1.00 1.00 N ATOM 142 CA LYS A 11 1.949 11.099 9.813 1.00 1.00 C ATOM 143 C LYS A 11 0.985 11.477 8.677 1.00 1.00 C ATOM 144 O LYS A 11 -0.148 11.070 8.678 1.00 1.00 O ATOM 145 CB LYS A 11 2.021 12.223 10.850 1.00 1.00 C ATOM 146 CG LYS A 11 2.808 11.748 12.094 1.00 1.00 C ATOM 147 CD LYS A 11 2.844 12.884 13.139 1.00 1.00 C ATOM 148 CE LYS A 11 3.632 12.427 14.380 1.00 1.00 C ATOM 149 NZ LYS A 11 2.960 11.264 15.028 1.00 1.00 N ATOM 0 H LYS A 11 4.053 11.200 10.009 1.00 1.00 H new ATOM 0 HA LYS A 11 1.534 10.179 10.224 1.00 1.00 H new ATOM 0 HB2 LYS A 11 2.505 13.098 10.416 1.00 1.00 H new ATOM 0 HB3 LYS A 11 1.015 12.526 11.140 1.00 1.00 H new ATOM 0 HG2 LYS A 11 2.338 10.862 12.520 1.00 1.00 H new ATOM 0 HG3 LYS A 11 3.822 11.466 11.811 1.00 1.00 H new ATOM 0 HD2 LYS A 11 3.308 13.771 12.709 1.00 1.00 H new ATOM 0 HD3 LYS A 11 1.829 13.161 13.423 1.00 1.00 H new ATOM 0 HE2 LYS A 11 4.647 12.154 14.093 1.00 1.00 H new ATOM 0 HE3 LYS A 11 3.712 13.250 15.090 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 3.334 11.139 15.990 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 1.935 11.437 15.074 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 3.142 10.404 14.472 1.00 1.00 H new ATOM 163 N GLN A 12 1.484 12.250 7.750 1.00 1.00 N ATOM 164 CA GLN A 12 0.670 12.710 6.573 1.00 1.00 C ATOM 165 C GLN A 12 0.114 11.538 5.735 1.00 1.00 C ATOM 166 O GLN A 12 -0.962 11.594 5.188 1.00 1.00 O ATOM 167 CB GLN A 12 1.555 13.601 5.696 1.00 1.00 C ATOM 168 CG GLN A 12 0.859 14.933 5.308 1.00 1.00 C ATOM 169 CD GLN A 12 -0.395 14.683 4.465 1.00 1.00 C ATOM 170 OE1 GLN A 12 -1.416 14.242 4.955 1.00 1.00 O ATOM 171 NE2 GLN A 12 -0.364 14.951 3.189 1.00 1.00 N ATOM 0 H GLN A 12 2.445 12.593 7.755 1.00 1.00 H new ATOM 0 HA GLN A 12 -0.193 13.259 6.950 1.00 1.00 H new ATOM 0 HB2 GLN A 12 2.482 13.820 6.226 1.00 1.00 H new ATOM 0 HB3 GLN A 12 1.826 13.059 4.790 1.00 1.00 H new ATOM 0 HG2 GLN A 12 0.589 15.481 6.211 1.00 1.00 H new ATOM 0 HG3 GLN A 12 1.555 15.560 4.751 1.00 1.00 H new ATOM 0 HE21 GLN A 12 0.487 15.322 2.766 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -1.191 14.790 2.614 1.00 1.00 H new ATOM 180 N CYS A 13 0.898 10.498 5.684 1.00 1.00 N ATOM 181 CA CYS A 13 0.545 9.276 4.919 1.00 1.00 C ATOM 182 C CYS A 13 -0.447 8.385 5.628 1.00 1.00 C ATOM 183 O CYS A 13 -0.926 7.433 5.045 1.00 1.00 O ATOM 184 CB CYS A 13 1.826 8.518 4.652 1.00 1.00 C ATOM 185 SG CYS A 13 2.917 9.213 3.396 1.00 1.00 S ATOM 0 H CYS A 13 1.799 10.446 6.159 1.00 1.00 H new ATOM 0 HA CYS A 13 0.055 9.582 3.995 1.00 1.00 H new ATOM 0 HB2 CYS A 13 2.382 8.446 5.587 1.00 1.00 H new ATOM 0 HB3 CYS A 13 1.567 7.501 4.356 1.00 1.00 H new ATOM 190 N TRP A 14 -0.745 8.697 6.859 1.00 1.00 N ATOM 191 CA TRP A 14 -1.713 7.875 7.602 1.00 1.00 C ATOM 192 C TRP A 14 -3.126 8.091 6.995 1.00 1.00 C ATOM 193 O TRP A 14 -3.703 7.132 6.519 1.00 1.00 O ATOM 194 CB TRP A 14 -1.597 8.311 9.065 1.00 1.00 C ATOM 195 CG TRP A 14 -0.302 7.766 9.691 1.00 1.00 C ATOM 196 CD1 TRP A 14 0.913 7.800 9.103 1.00 1.00 C ATOM 197 CD2 TRP A 14 -0.186 7.187 10.905 1.00 1.00 C ATOM 198 NE1 TRP A 14 1.699 7.237 9.998 1.00 1.00 N ATOM 199 CE2 TRP A 14 1.132 6.830 11.121 1.00 1.00 C ATOM 200 CE3 TRP A 14 -1.140 6.923 11.884 1.00 1.00 C ATOM 201 CZ2 TRP A 14 1.507 6.212 12.309 1.00 1.00 C ATOM 202 CZ3 TRP A 14 -0.768 6.304 13.075 1.00 1.00 C ATOM 203 CH2 TRP A 14 0.552 5.948 13.288 1.00 1.00 C ATOM 0 H TRP A 14 -0.355 9.487 7.374 1.00 1.00 H new ATOM 0 HA TRP A 14 -1.521 6.804 7.537 1.00 1.00 H new ATOM 0 HB2 TRP A 14 -1.608 9.399 9.128 1.00 1.00 H new ATOM 0 HB3 TRP A 14 -2.459 7.951 9.627 1.00 1.00 H new ATOM 0 HD1 TRP A 14 1.177 8.194 8.133 1.00 1.00 H new ATOM 0 HE1 TRP A 14 2.699 7.120 9.832 1.00 1.00 H new ATOM 0 HE3 TRP A 14 -2.171 7.199 11.720 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 2.538 5.937 12.473 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 -1.510 6.102 13.833 1.00 1.00 H new ATOM 0 HH2 TRP A 14 0.841 5.467 14.211 1.00 1.00 H new ATOM 214 N PRO A 15 -3.655 9.303 7.000 1.00 1.00 N ATOM 215 CA PRO A 15 -4.968 9.615 6.370 1.00 1.00 C ATOM 216 C PRO A 15 -4.900 9.467 4.843 1.00 1.00 C ATOM 217 O PRO A 15 -5.807 8.923 4.244 1.00 1.00 O ATOM 218 CB PRO A 15 -5.279 11.041 6.823 1.00 1.00 C ATOM 219 CG PRO A 15 -3.867 11.662 6.917 1.00 1.00 C ATOM 220 CD PRO A 15 -3.064 10.539 7.595 1.00 1.00 C ATOM 0 HA PRO A 15 -5.759 8.928 6.671 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -5.910 11.568 6.107 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -5.798 11.061 7.781 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -3.466 11.913 5.935 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -3.864 12.579 7.507 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -1.998 10.620 7.383 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -3.176 10.559 8.679 1.00 1.00 H new ATOM 228 N VAL A 16 -3.829 9.956 4.263 1.00 1.00 N ATOM 229 CA VAL A 16 -3.670 9.864 2.780 1.00 1.00 C ATOM 230 C VAL A 16 -3.683 8.404 2.328 1.00 1.00 C ATOM 231 O VAL A 16 -4.388 8.073 1.392 1.00 1.00 O ATOM 232 CB VAL A 16 -2.362 10.551 2.398 1.00 1.00 C ATOM 233 CG1 VAL A 16 -2.005 10.325 0.906 1.00 1.00 C ATOM 234 CG2 VAL A 16 -2.492 12.074 2.641 1.00 1.00 C ATOM 0 H VAL A 16 -3.061 10.414 4.753 1.00 1.00 H new ATOM 0 HA VAL A 16 -4.501 10.361 2.280 1.00 1.00 H new ATOM 0 HB VAL A 16 -1.573 10.120 3.014 1.00 1.00 H new ATOM 0 HG11 VAL A 16 -1.067 10.831 0.676 1.00 1.00 H new ATOM 0 HG12 VAL A 16 -1.898 9.257 0.715 1.00 1.00 H new ATOM 0 HG13 VAL A 16 -2.799 10.728 0.277 1.00 1.00 H new ATOM 0 HG21 VAL A 16 -1.559 12.567 2.369 1.00 1.00 H new ATOM 0 HG22 VAL A 16 -3.304 12.472 2.032 1.00 1.00 H new ATOM 0 HG23 VAL A 16 -2.705 12.258 3.694 1.00 1.00 H new ATOM 244 N CYS A 17 -2.918 7.573 2.992 1.00 1.00 N ATOM 245 CA CYS A 17 -2.901 6.134 2.588 1.00 1.00 C ATOM 246 C CYS A 17 -4.248 5.511 2.960 1.00 1.00 C ATOM 247 O CYS A 17 -4.774 4.727 2.198 1.00 1.00 O ATOM 248 CB CYS A 17 -1.804 5.341 3.308 1.00 1.00 C ATOM 249 SG CYS A 17 -1.738 3.615 2.771 1.00 1.00 S ATOM 0 H CYS A 17 -2.318 7.821 3.778 1.00 1.00 H new ATOM 0 HA CYS A 17 -2.709 6.092 1.516 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -0.839 5.813 3.125 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -1.979 5.378 4.383 1.00 1.00 H new ATOM 254 N LYS A 18 -4.767 5.862 4.116 1.00 1.00 N ATOM 255 CA LYS A 18 -6.089 5.306 4.556 1.00 1.00 C ATOM 256 C LYS A 18 -7.109 5.518 3.420 1.00 1.00 C ATOM 257 O LYS A 18 -7.906 4.658 3.099 1.00 1.00 O ATOM 258 CB LYS A 18 -6.555 6.046 5.824 1.00 1.00 C ATOM 259 CG LYS A 18 -7.815 5.406 6.384 1.00 1.00 C ATOM 260 CD LYS A 18 -8.245 6.082 7.711 1.00 1.00 C ATOM 261 CE LYS A 18 -8.660 7.551 7.477 1.00 1.00 C ATOM 262 NZ LYS A 18 -9.108 8.160 8.761 1.00 1.00 N ATOM 0 H LYS A 18 -4.332 6.509 4.773 1.00 1.00 H new ATOM 0 HA LYS A 18 -6.000 4.243 4.779 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.765 6.025 6.575 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -6.745 7.094 5.591 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -8.621 5.485 5.655 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -7.642 4.343 6.554 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -9.077 5.531 8.150 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -7.423 6.042 8.426 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -7.821 8.115 7.070 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -9.463 7.599 6.742 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -9.386 9.149 8.598 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -9.921 7.628 9.132 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -8.330 8.129 9.450 1.00 1.00 H new ATOM 276 N GLN A 19 -7.030 6.691 2.847 1.00 1.00 N ATOM 277 CA GLN A 19 -7.943 7.063 1.727 1.00 1.00 C ATOM 278 C GLN A 19 -7.618 6.288 0.436 1.00 1.00 C ATOM 279 O GLN A 19 -8.494 5.712 -0.172 1.00 1.00 O ATOM 280 CB GLN A 19 -7.815 8.591 1.498 1.00 1.00 C ATOM 281 CG GLN A 19 -8.724 9.065 0.337 1.00 1.00 C ATOM 282 CD GLN A 19 -10.192 8.726 0.639 1.00 1.00 C ATOM 283 OE1 GLN A 19 -10.780 9.227 1.576 1.00 1.00 O ATOM 284 NE2 GLN A 19 -10.813 7.877 -0.125 1.00 1.00 N ATOM 0 H GLN A 19 -6.363 7.416 3.112 1.00 1.00 H new ATOM 0 HA GLN A 19 -8.967 6.799 1.993 1.00 1.00 H new ATOM 0 HB2 GLN A 19 -8.083 9.121 2.412 1.00 1.00 H new ATOM 0 HB3 GLN A 19 -6.778 8.842 1.276 1.00 1.00 H new ATOM 0 HG2 GLN A 19 -8.613 10.140 0.195 1.00 1.00 H new ATOM 0 HG3 GLN A 19 -8.417 8.587 -0.593 1.00 1.00 H new ATOM 0 HE21 GLN A 19 -10.327 7.451 -0.914 1.00 1.00 H new ATOM 0 HE22 GLN A 19 -11.786 7.637 0.065 1.00 1.00 H new ATOM 293 N MET A 20 -6.359 6.304 0.076 1.00 1.00 N ATOM 294 CA MET A 20 -5.834 5.638 -1.116 1.00 1.00 C ATOM 295 C MET A 20 -6.180 4.147 -1.203 1.00 1.00 C ATOM 296 O MET A 20 -6.737 3.684 -2.179 1.00 1.00 O ATOM 297 CB MET A 20 -4.315 5.865 -1.085 1.00 1.00 C ATOM 298 CG MET A 20 -3.809 5.861 -2.489 1.00 1.00 C ATOM 299 SD MET A 20 -2.020 5.940 -2.757 1.00 1.00 S ATOM 300 CE MET A 20 -1.809 7.733 -2.627 1.00 1.00 C ATOM 0 H MET A 20 -5.641 6.792 0.612 1.00 1.00 H new ATOM 0 HA MET A 20 -6.297 6.061 -2.007 1.00 1.00 H new ATOM 0 HB2 MET A 20 -4.083 6.814 -0.601 1.00 1.00 H new ATOM 0 HB3 MET A 20 -3.827 5.083 -0.504 1.00 1.00 H new ATOM 0 HG2 MET A 20 -4.178 4.957 -2.973 1.00 1.00 H new ATOM 0 HG3 MET A 20 -4.261 6.707 -3.008 1.00 1.00 H new ATOM 0 HE1 MET A 20 -0.758 7.987 -2.766 1.00 1.00 H new ATOM 0 HE2 MET A 20 -2.406 8.226 -3.394 1.00 1.00 H new ATOM 0 HE3 MET A 20 -2.136 8.067 -1.642 1.00 1.00 H new ATOM 310 N PHE A 21 -5.822 3.465 -0.150 1.00 1.00 N ATOM 311 CA PHE A 21 -6.059 1.989 -0.040 1.00 1.00 C ATOM 312 C PHE A 21 -6.896 1.611 1.189 1.00 1.00 C ATOM 313 O PHE A 21 -7.921 0.970 1.064 1.00 1.00 O ATOM 314 CB PHE A 21 -4.670 1.308 0.000 1.00 1.00 C ATOM 315 CG PHE A 21 -4.750 -0.189 -0.313 1.00 1.00 C ATOM 316 CD1 PHE A 21 -5.444 -1.077 0.485 1.00 1.00 C ATOM 317 CD2 PHE A 21 -4.110 -0.677 -1.439 1.00 1.00 C ATOM 318 CE1 PHE A 21 -5.493 -2.419 0.168 1.00 1.00 C ATOM 319 CE2 PHE A 21 -4.159 -2.019 -1.754 1.00 1.00 C ATOM 320 CZ PHE A 21 -4.851 -2.891 -0.945 1.00 1.00 C ATOM 0 H PHE A 21 -5.363 3.877 0.662 1.00 1.00 H new ATOM 0 HA PHE A 21 -6.640 1.650 -0.898 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -4.009 1.793 -0.718 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -4.227 1.448 0.986 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -5.954 -0.717 1.367 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -3.565 0.001 -2.079 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -6.041 -3.101 0.802 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -3.654 -2.385 -2.636 1.00 1.00 H new ATOM 0 HZ PHE A 21 -4.887 -3.943 -1.187 1.00 1.00 H new ATOM 330 N GLY A 22 -6.426 2.023 2.341 1.00 1.00 N ATOM 331 CA GLY A 22 -7.108 1.737 3.635 1.00 1.00 C ATOM 332 C GLY A 22 -6.098 1.173 4.635 1.00 1.00 C ATOM 333 O GLY A 22 -6.374 0.235 5.358 1.00 1.00 O ATOM 0 H GLY A 22 -5.567 2.565 2.437 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -7.556 2.649 4.031 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -7.918 1.025 3.481 1.00 1.00 H new ATOM 337 N LYS A 23 -4.948 1.797 4.623 1.00 1.00 N ATOM 338 CA LYS A 23 -3.803 1.433 5.512 1.00 1.00 C ATOM 339 C LYS A 23 -3.493 2.686 6.359 1.00 1.00 C ATOM 340 O LYS A 23 -2.728 3.529 5.929 1.00 1.00 O ATOM 341 CB LYS A 23 -2.575 1.039 4.642 1.00 1.00 C ATOM 342 CG LYS A 23 -2.542 -0.458 4.313 1.00 1.00 C ATOM 343 CD LYS A 23 -3.730 -0.915 3.449 1.00 1.00 C ATOM 344 CE LYS A 23 -3.575 -2.418 3.137 1.00 1.00 C ATOM 345 NZ LYS A 23 -3.597 -3.218 4.395 1.00 1.00 N ATOM 0 H LYS A 23 -4.748 2.582 4.003 1.00 1.00 H new ATOM 0 HA LYS A 23 -4.040 0.584 6.153 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -2.593 1.611 3.714 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -1.660 1.312 5.167 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -1.613 -0.689 3.792 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -2.537 -1.028 5.242 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -4.668 -0.734 3.973 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -3.766 -0.340 2.524 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -4.380 -2.743 2.478 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -2.639 -2.590 2.606 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -3.543 -4.230 4.164 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -2.785 -2.954 4.988 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -4.479 -3.028 4.912 1.00 1.00 H new ATOM 359 N PRO A 24 -4.085 2.794 7.532 1.00 1.00 N ATOM 360 CA PRO A 24 -4.145 4.072 8.295 1.00 1.00 C ATOM 361 C PRO A 24 -2.776 4.576 8.751 1.00 1.00 C ATOM 362 O PRO A 24 -2.678 5.650 9.309 1.00 1.00 O ATOM 363 CB PRO A 24 -5.083 3.765 9.457 1.00 1.00 C ATOM 364 CG PRO A 24 -4.770 2.283 9.713 1.00 1.00 C ATOM 365 CD PRO A 24 -4.760 1.697 8.282 1.00 1.00 C ATOM 0 HA PRO A 24 -4.506 4.894 7.677 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -4.875 4.386 10.328 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -6.129 3.925 9.194 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -3.811 2.150 10.214 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -5.525 1.810 10.341 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -4.209 0.758 8.224 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -5.765 1.500 7.910 1.00 1.00 H new ATOM 373 N ASN A 25 -1.768 3.783 8.506 1.00 1.00 N ATOM 374 CA ASN A 25 -0.385 4.125 8.871 1.00 1.00 C ATOM 375 C ASN A 25 0.375 4.252 7.558 1.00 1.00 C ATOM 376 O ASN A 25 0.151 3.518 6.614 1.00 1.00 O ATOM 377 CB ASN A 25 0.152 3.014 9.699 1.00 1.00 C ATOM 378 CG ASN A 25 -0.459 3.032 11.102 1.00 1.00 C ATOM 379 OD1 ASN A 25 -1.657 2.920 11.272 1.00 1.00 O ATOM 380 ND2 ASN A 25 0.315 3.172 12.135 1.00 1.00 N ATOM 0 H ASN A 25 -1.864 2.877 8.048 1.00 1.00 H new ATOM 0 HA ASN A 25 -0.303 5.050 9.442 1.00 1.00 H new ATOM 0 HB2 ASN A 25 -0.062 2.060 9.217 1.00 1.00 H new ATOM 0 HB3 ASN A 25 1.236 3.099 9.769 1.00 1.00 H new ATOM 0 HD21 ASN A 25 -0.085 3.187 13.073 1.00 1.00 H new ATOM 0 HD22 ASN A 25 1.323 3.267 12.008 1.00 1.00 H new ATOM 387 N GLY A 26 1.266 5.199 7.567 1.00 1.00 N ATOM 388 CA GLY A 26 2.109 5.468 6.371 1.00 1.00 C ATOM 389 C GLY A 26 3.367 6.241 6.744 1.00 1.00 C ATOM 390 O GLY A 26 3.384 6.941 7.738 1.00 1.00 O ATOM 0 H GLY A 26 1.450 5.808 8.364 1.00 1.00 H new ATOM 0 HA2 GLY A 26 2.385 4.525 5.899 1.00 1.00 H new ATOM 0 HA3 GLY A 26 1.535 6.035 5.639 1.00 1.00 H new ATOM 394 N LYS A 27 4.388 6.090 5.939 1.00 1.00 N ATOM 395 CA LYS A 27 5.670 6.825 6.226 1.00 1.00 C ATOM 396 C LYS A 27 6.103 7.578 4.974 1.00 1.00 C ATOM 397 O LYS A 27 5.431 7.496 3.968 1.00 1.00 O ATOM 398 CB LYS A 27 6.786 5.832 6.674 1.00 1.00 C ATOM 399 CG LYS A 27 7.027 4.707 5.670 1.00 1.00 C ATOM 400 CD LYS A 27 7.975 3.647 6.259 1.00 1.00 C ATOM 401 CE LYS A 27 9.404 4.205 6.402 1.00 1.00 C ATOM 402 NZ LYS A 27 10.305 3.146 6.939 1.00 1.00 N ATOM 0 H LYS A 27 4.397 5.501 5.107 1.00 1.00 H new ATOM 0 HA LYS A 27 5.504 7.532 7.039 1.00 1.00 H new ATOM 0 HB2 LYS A 27 7.715 6.382 6.823 1.00 1.00 H new ATOM 0 HB3 LYS A 27 6.514 5.399 7.637 1.00 1.00 H new ATOM 0 HG2 LYS A 27 6.078 4.244 5.400 1.00 1.00 H new ATOM 0 HG3 LYS A 27 7.454 5.115 4.754 1.00 1.00 H new ATOM 0 HD2 LYS A 27 7.607 3.325 7.233 1.00 1.00 H new ATOM 0 HD3 LYS A 27 7.987 2.767 5.616 1.00 1.00 H new ATOM 0 HE2 LYS A 27 9.769 4.550 5.434 1.00 1.00 H new ATOM 0 HE3 LYS A 27 9.403 5.068 7.068 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 11.269 3.526 7.034 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 9.961 2.837 7.870 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 10.315 2.336 6.287 1.00 1.00 H new ATOM 416 N CYS A 28 7.193 8.295 5.053 1.00 1.00 N ATOM 417 CA CYS A 28 7.687 9.059 3.884 1.00 1.00 C ATOM 418 C CYS A 28 9.054 8.515 3.455 1.00 1.00 C ATOM 419 O CYS A 28 9.756 7.900 4.236 1.00 1.00 O ATOM 420 CB CYS A 28 7.754 10.544 4.298 1.00 1.00 C ATOM 421 SG CYS A 28 8.308 11.796 3.111 1.00 1.00 S ATOM 0 H CYS A 28 7.766 8.381 5.893 1.00 1.00 H new ATOM 0 HA CYS A 28 7.023 8.958 3.026 1.00 1.00 H new ATOM 0 HB2 CYS A 28 6.757 10.832 4.630 1.00 1.00 H new ATOM 0 HB3 CYS A 28 8.410 10.608 5.166 1.00 1.00 H new ATOM 426 N MET A 29 9.383 8.767 2.213 1.00 1.00 N ATOM 427 CA MET A 29 10.661 8.321 1.611 1.00 1.00 C ATOM 428 C MET A 29 11.225 9.526 0.865 1.00 1.00 C ATOM 429 O MET A 29 11.051 9.651 -0.323 1.00 1.00 O ATOM 430 CB MET A 29 10.394 7.138 0.640 1.00 1.00 C ATOM 431 CG MET A 29 9.722 5.972 1.387 1.00 1.00 C ATOM 432 SD MET A 29 9.403 4.468 0.431 1.00 1.00 S ATOM 433 CE MET A 29 7.973 5.044 -0.510 1.00 1.00 C ATOM 0 H MET A 29 8.785 9.287 1.571 1.00 1.00 H new ATOM 0 HA MET A 29 11.368 7.971 2.363 1.00 1.00 H new ATOM 0 HB2 MET A 29 9.756 7.469 -0.180 1.00 1.00 H new ATOM 0 HB3 MET A 29 11.332 6.803 0.198 1.00 1.00 H new ATOM 0 HG2 MET A 29 10.349 5.707 2.238 1.00 1.00 H new ATOM 0 HG3 MET A 29 8.773 6.327 1.789 1.00 1.00 H new ATOM 0 HE1 MET A 29 7.139 4.359 -0.360 1.00 1.00 H new ATOM 0 HE2 MET A 29 7.690 6.040 -0.169 1.00 1.00 H new ATOM 0 HE3 MET A 29 8.226 5.081 -1.570 1.00 1.00 H new ATOM 443 N ASN A 30 11.886 10.365 1.627 1.00 1.00 N ATOM 444 CA ASN A 30 12.523 11.622 1.120 1.00 1.00 C ATOM 445 C ASN A 30 11.794 12.214 -0.091 1.00 1.00 C ATOM 446 O ASN A 30 12.372 12.516 -1.117 1.00 1.00 O ATOM 447 CB ASN A 30 14.014 11.307 0.777 1.00 1.00 C ATOM 448 CG ASN A 30 14.143 10.222 -0.298 1.00 1.00 C ATOM 449 OD1 ASN A 30 13.878 9.058 -0.076 1.00 1.00 O ATOM 450 ND2 ASN A 30 14.545 10.568 -1.490 1.00 1.00 N ATOM 0 H ASN A 30 12.015 10.220 2.628 1.00 1.00 H new ATOM 0 HA ASN A 30 12.461 12.382 1.899 1.00 1.00 H new ATOM 0 HB2 ASN A 30 14.506 12.217 0.434 1.00 1.00 H new ATOM 0 HB3 ASN A 30 14.533 10.985 1.680 1.00 1.00 H new ATOM 0 HD21 ASN A 30 14.634 9.864 -2.223 1.00 1.00 H new ATOM 0 HD22 ASN A 30 14.771 11.543 -1.689 1.00 1.00 H new ATOM 457 N GLY A 31 10.504 12.345 0.099 1.00 1.00 N ATOM 458 CA GLY A 31 9.602 12.903 -0.937 1.00 1.00 C ATOM 459 C GLY A 31 8.418 12.042 -1.341 1.00 1.00 C ATOM 460 O GLY A 31 7.397 12.615 -1.645 1.00 1.00 O ATOM 0 H GLY A 31 10.031 12.077 0.962 1.00 1.00 H new ATOM 0 HA2 GLY A 31 9.221 13.859 -0.579 1.00 1.00 H new ATOM 0 HA3 GLY A 31 10.194 13.109 -1.829 1.00 1.00 H new ATOM 464 N LYS A 32 8.520 10.737 -1.363 1.00 1.00 N ATOM 465 CA LYS A 32 7.364 9.917 -1.757 1.00 1.00 C ATOM 466 C LYS A 32 6.846 9.143 -0.553 1.00 1.00 C ATOM 467 O LYS A 32 7.582 8.638 0.259 1.00 1.00 O ATOM 468 CB LYS A 32 7.791 8.960 -2.784 1.00 1.00 C ATOM 469 CG LYS A 32 8.549 9.615 -3.967 1.00 1.00 C ATOM 470 CD LYS A 32 7.686 10.689 -4.701 1.00 1.00 C ATOM 471 CE LYS A 32 6.434 10.063 -5.357 1.00 1.00 C ATOM 472 NZ LYS A 32 6.838 9.066 -6.389 1.00 1.00 N ATOM 0 H LYS A 32 9.362 10.214 -1.122 1.00 1.00 H new ATOM 0 HA LYS A 32 6.575 10.563 -2.141 1.00 1.00 H new ATOM 0 HB2 LYS A 32 8.433 8.209 -2.324 1.00 1.00 H new ATOM 0 HB3 LYS A 32 6.915 8.438 -3.169 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.464 10.078 -3.598 1.00 1.00 H new ATOM 0 HG3 LYS A 32 8.846 8.843 -4.677 1.00 1.00 H new ATOM 0 HD2 LYS A 32 7.380 11.457 -3.991 1.00 1.00 H new ATOM 0 HD3 LYS A 32 8.289 11.182 -5.464 1.00 1.00 H new ATOM 0 HE2 LYS A 32 5.818 9.582 -4.597 1.00 1.00 H new ATOM 0 HE3 LYS A 32 5.825 10.843 -5.813 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 6.109 9.017 -7.129 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 7.743 9.353 -6.814 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 6.945 8.131 -5.946 1.00 1.00 H new ATOM 486 N CYS A 33 5.555 9.086 -0.528 1.00 1.00 N ATOM 487 CA CYS A 33 4.822 8.388 0.555 1.00 1.00 C ATOM 488 C CYS A 33 4.906 6.862 0.528 1.00 1.00 C ATOM 489 O CYS A 33 5.176 6.255 -0.481 1.00 1.00 O ATOM 490 CB CYS A 33 3.372 8.824 0.490 1.00 1.00 C ATOM 491 SG CYS A 33 2.276 8.194 1.777 1.00 1.00 S ATOM 0 H CYS A 33 4.955 9.508 -1.236 1.00 1.00 H new ATOM 0 HA CYS A 33 5.304 8.672 1.491 1.00 1.00 H new ATOM 0 HB2 CYS A 33 3.343 9.913 0.522 1.00 1.00 H new ATOM 0 HB3 CYS A 33 2.969 8.522 -0.477 1.00 1.00 H new ATOM 496 N ARG A 34 4.661 6.310 1.687 1.00 1.00 N ATOM 497 CA ARG A 34 4.677 4.848 1.913 1.00 1.00 C ATOM 498 C ARG A 34 3.498 4.504 2.832 1.00 1.00 C ATOM 499 O ARG A 34 3.035 5.334 3.592 1.00 1.00 O ATOM 500 CB ARG A 34 5.998 4.523 2.565 1.00 1.00 C ATOM 501 CG ARG A 34 6.107 3.026 2.955 1.00 1.00 C ATOM 502 CD ARG A 34 6.176 2.125 1.708 1.00 1.00 C ATOM 503 NE ARG A 34 5.602 0.797 2.087 1.00 1.00 N ATOM 504 CZ ARG A 34 6.325 -0.280 2.053 1.00 1.00 C ATOM 505 NH1 ARG A 34 7.493 -0.293 2.637 1.00 1.00 N ATOM 506 NH2 ARG A 34 5.847 -1.321 1.431 1.00 1.00 N ATOM 0 H ARG A 34 4.440 6.849 2.524 1.00 1.00 H new ATOM 0 HA ARG A 34 4.576 4.273 0.992 1.00 1.00 H new ATOM 0 HB2 ARG A 34 6.810 4.779 1.884 1.00 1.00 H new ATOM 0 HB3 ARG A 34 6.123 5.139 3.456 1.00 1.00 H new ATOM 0 HG2 ARG A 34 6.996 2.872 3.567 1.00 1.00 H new ATOM 0 HG3 ARG A 34 5.248 2.743 3.563 1.00 1.00 H new ATOM 0 HD2 ARG A 34 5.614 2.565 0.884 1.00 1.00 H new ATOM 0 HD3 ARG A 34 7.206 2.016 1.369 1.00 1.00 H new ATOM 0 HE ARG A 34 4.626 0.737 2.377 1.00 1.00 H new ATOM 0 HH11 ARG A 34 7.833 0.541 3.117 1.00 1.00 H new ATOM 0 HH12 ARG A 34 8.066 -1.137 2.613 1.00 1.00 H new ATOM 0 HH21 ARG A 34 4.929 -1.274 0.989 1.00 1.00 H new ATOM 0 HH22 ARG A 34 6.391 -2.183 1.386 1.00 1.00 H new ATOM 520 N CYS A 35 3.077 3.273 2.723 1.00 1.00 N ATOM 521 CA CYS A 35 1.959 2.717 3.509 1.00 1.00 C ATOM 522 C CYS A 35 2.496 1.555 4.358 1.00 1.00 C ATOM 523 O CYS A 35 3.603 1.096 4.156 1.00 1.00 O ATOM 524 CB CYS A 35 0.888 2.218 2.555 1.00 1.00 C ATOM 525 SG CYS A 35 -0.091 3.411 1.620 1.00 1.00 S ATOM 0 H CYS A 35 3.495 2.600 2.080 1.00 1.00 H new ATOM 0 HA CYS A 35 1.528 3.476 4.161 1.00 1.00 H new ATOM 0 HB2 CYS A 35 1.372 1.557 1.836 1.00 1.00 H new ATOM 0 HB3 CYS A 35 0.194 1.607 3.133 1.00 1.00 H new ATOM 530 N TYR A 36 1.684 1.115 5.284 1.00 1.00 N ATOM 531 CA TYR A 36 2.075 -0.006 6.186 1.00 1.00 C ATOM 532 C TYR A 36 1.128 -1.197 6.016 1.00 1.00 C ATOM 533 O TYR A 36 0.213 -1.149 5.221 1.00 1.00 O ATOM 534 CB TYR A 36 2.031 0.465 7.638 1.00 1.00 C ATOM 535 CG TYR A 36 3.220 1.377 8.011 1.00 1.00 C ATOM 536 CD1 TYR A 36 3.538 2.528 7.340 1.00 1.00 C ATOM 537 CD2 TYR A 36 3.992 1.001 9.097 1.00 1.00 C ATOM 538 CE1 TYR A 36 4.604 3.293 7.747 1.00 1.00 C ATOM 539 CE2 TYR A 36 5.057 1.765 9.502 1.00 1.00 C ATOM 540 CZ TYR A 36 5.370 2.919 8.828 1.00 1.00 C ATOM 541 OH TYR A 36 6.438 3.683 9.255 1.00 1.00 O ATOM 0 H TYR A 36 0.752 1.492 5.455 1.00 1.00 H new ATOM 0 HA TYR A 36 3.086 -0.320 5.925 1.00 1.00 H new ATOM 0 HB2 TYR A 36 1.099 1.003 7.812 1.00 1.00 H new ATOM 0 HB3 TYR A 36 2.026 -0.404 8.296 1.00 1.00 H new ATOM 0 HD1 TYR A 36 2.949 2.835 6.488 1.00 1.00 H new ATOM 0 HD2 TYR A 36 3.753 0.094 9.632 1.00 1.00 H new ATOM 0 HE1 TYR A 36 4.844 4.200 7.212 1.00 1.00 H new ATOM 0 HE2 TYR A 36 5.649 1.458 10.351 1.00 1.00 H new ATOM 0 HH TYR A 36 6.855 3.257 10.033 1.00 1.00 H new ATOM 551 N SER A 37 1.414 -2.213 6.792 1.00 1.00 N ATOM 552 CA SER A 37 0.656 -3.511 6.835 1.00 1.00 C ATOM 553 C SER A 37 -0.665 -3.539 6.044 1.00 1.00 C ATOM 554 O SER A 37 -0.676 -4.212 5.027 1.00 1.00 O ATOM 555 CB SER A 37 0.391 -3.851 8.320 1.00 1.00 C ATOM 556 OG SER A 37 1.689 -3.965 8.887 1.00 1.00 O ATOM 557 OXT SER A 37 -1.594 -2.886 6.495 1.00 1.00 O ATOM 0 H SER A 37 2.198 -2.193 7.444 1.00 1.00 H new ATOM 0 HA SER A 37 1.280 -4.254 6.338 1.00 1.00 H new ATOM 0 HB2 SER A 37 -0.191 -3.070 8.810 1.00 1.00 H new ATOM 0 HB3 SER A 37 -0.171 -4.779 8.422 1.00 1.00 H new ATOM 0 HG SER A 37 1.612 -4.180 9.840 1.00 1.00 H new