USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 207 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.104 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0416 USER MOD Single : A 16 THR OG1 : rot 40:sc= 1.2 USER MOD Single : A 19 LYS NZ :NH3+ -142:sc= 1.28 (180deg=0.997) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00433) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 1.03 K(o=1,f=-6.6!) USER MOD Single : A 31 ASN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 32 ASN : amide:sc= 1.22 K(o=1.2,f=-0.66) USER MOD Single : A 33 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 3 2.912 0.742 7.596 1.00 0.00 N ATOM 28 CA LEU A 3 3.403 1.602 6.529 1.00 0.00 C ATOM 29 C LEU A 3 4.610 0.995 5.822 1.00 0.00 C ATOM 30 O LEU A 3 5.370 0.238 6.423 1.00 0.00 O ATOM 31 CB LEU A 3 3.683 3.015 7.060 1.00 0.00 C ATOM 32 CG LEU A 3 4.937 3.084 7.947 1.00 0.00 C ATOM 33 CD1 LEU A 3 6.097 3.753 7.207 1.00 0.00 C ATOM 34 CD2 LEU A 3 4.640 3.852 9.240 1.00 0.00 C ATOM 0 HA LEU A 3 2.621 1.686 5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.802 3.697 6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.821 3.360 7.631 1.00 0.00 H new ATOM 0 HG LEU A 3 5.224 2.062 8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.971 3.789 7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.335 3.181 6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.813 4.767 6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.539 3.891 9.855 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.323 4.866 8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.846 3.346 9.789 1.00 0.00 H new ATOM 45 N ILE A 4 4.764 1.321 4.542 1.00 0.00 N ATOM 46 CA ILE A 4 5.769 0.784 3.660 1.00 0.00 C ATOM 47 C ILE A 4 6.448 1.975 2.976 1.00 0.00 C ATOM 48 O ILE A 4 6.143 3.126 3.302 1.00 0.00 O ATOM 49 CB ILE A 4 5.021 -0.143 2.682 1.00 0.00 C ATOM 50 CG1 ILE A 4 4.411 0.574 1.471 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.891 -0.932 3.378 1.00 0.00 C ATOM 52 CD1 ILE A 4 4.830 -0.126 0.194 1.00 0.00 C ATOM 0 H ILE A 4 4.158 1.999 4.080 1.00 0.00 H new ATOM 0 HA ILE A 4 6.549 0.205 4.155 1.00 0.00 H new ATOM 0 HB ILE A 4 5.799 -0.817 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.324 0.583 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.737 1.614 1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.392 -1.572 2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.313 -1.547 4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.169 -0.235 3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.394 0.388 -0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.917 -0.112 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.481 -1.159 0.214 1.00 0.00 H new ATOM 63 N ASP A 5 7.257 1.716 1.944 1.00 0.00 N ATOM 64 CA ASP A 5 7.547 2.727 0.938 1.00 0.00 C ATOM 65 C ASP A 5 7.467 2.129 -0.462 1.00 0.00 C ATOM 66 O ASP A 5 8.360 1.398 -0.885 1.00 0.00 O ATOM 67 CB ASP A 5 8.897 3.401 1.192 1.00 0.00 C ATOM 68 CG ASP A 5 9.228 4.413 0.100 1.00 0.00 C ATOM 69 OD1 ASP A 5 8.273 4.856 -0.580 1.00 0.00 O ATOM 70 OD2 ASP A 5 10.428 4.731 -0.032 1.00 0.00 O ATOM 0 H ASP A 5 7.717 0.819 1.789 1.00 0.00 H new ATOM 0 HA ASP A 5 6.788 3.505 1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.879 3.901 2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.680 2.644 1.238 1.00 0.00 H new ATOM 74 N VAL A 6 6.388 2.454 -1.177 1.00 0.00 N ATOM 75 CA VAL A 6 6.421 2.489 -2.631 1.00 0.00 C ATOM 76 C VAL A 6 5.564 3.654 -3.128 1.00 0.00 C ATOM 77 O VAL A 6 4.466 3.875 -2.616 1.00 0.00 O ATOM 78 CB VAL A 6 6.032 1.126 -3.245 1.00 0.00 C ATOM 79 CG1 VAL A 6 4.528 0.976 -3.520 1.00 0.00 C ATOM 80 CG2 VAL A 6 6.796 0.903 -4.555 1.00 0.00 C ATOM 0 H VAL A 6 5.485 2.695 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 6 7.442 2.666 -2.970 1.00 0.00 H new ATOM 0 HB VAL A 6 6.300 0.377 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.333 -0.006 -3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.975 1.079 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.207 1.748 -4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.515 -0.060 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.549 1.697 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.868 0.914 -4.357 1.00 0.00 H new ATOM 90 N LYS A 7 6.081 4.389 -4.117 1.00 0.00 N ATOM 91 CA LYS A 7 5.418 5.501 -4.784 1.00 0.00 C ATOM 92 C LYS A 7 3.971 5.162 -5.166 1.00 0.00 C ATOM 93 O LYS A 7 3.751 4.285 -5.998 1.00 0.00 O ATOM 94 CB LYS A 7 6.266 5.942 -5.991 1.00 0.00 C ATOM 95 CG LYS A 7 6.596 4.823 -6.995 1.00 0.00 C ATOM 96 CD LYS A 7 7.595 5.339 -8.037 1.00 0.00 C ATOM 97 CE LYS A 7 7.955 4.218 -9.022 1.00 0.00 C ATOM 98 NZ LYS A 7 8.943 4.661 -10.027 1.00 0.00 N ATOM 0 H LYS A 7 7.015 4.213 -4.487 1.00 0.00 H new ATOM 0 HA LYS A 7 5.342 6.340 -4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.738 6.737 -6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.200 6.368 -5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.014 3.963 -6.471 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.685 4.484 -7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.166 6.184 -8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.496 5.701 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.355 3.366 -8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.052 3.876 -9.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.158 3.874 -10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.553 5.457 -10.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.815 4.964 -9.547 1.00 0.00 H new ATOM 108 N CYS A 8 2.987 5.840 -4.564 1.00 0.00 N ATOM 109 CA CYS A 8 1.583 5.613 -4.924 1.00 0.00 C ATOM 110 C CYS A 8 1.143 6.504 -6.075 1.00 0.00 C ATOM 111 O CYS A 8 1.369 7.706 -6.035 1.00 0.00 O ATOM 112 CB CYS A 8 0.640 5.808 -3.759 1.00 0.00 C ATOM 113 SG CYS A 8 0.090 7.474 -3.285 1.00 0.00 S ATOM 0 H CYS A 8 3.133 6.540 -3.836 1.00 0.00 H new ATOM 0 HA CYS A 8 1.531 4.570 -5.235 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.255 5.221 -3.968 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.115 5.365 -2.884 1.00 0.00 H new ATOM 117 N PHE A 9 0.442 5.950 -7.057 1.00 0.00 N ATOM 118 CA PHE A 9 -0.478 6.741 -7.864 1.00 0.00 C ATOM 119 C PHE A 9 -1.872 6.722 -7.233 1.00 0.00 C ATOM 120 O PHE A 9 -2.678 7.609 -7.513 1.00 0.00 O ATOM 121 CB PHE A 9 -0.516 6.209 -9.305 1.00 0.00 C ATOM 122 CG PHE A 9 0.578 6.784 -10.183 1.00 0.00 C ATOM 123 CD1 PHE A 9 1.912 6.373 -10.007 1.00 0.00 C ATOM 124 CD2 PHE A 9 0.275 7.805 -11.105 1.00 0.00 C ATOM 125 CE1 PHE A 9 2.940 6.986 -10.748 1.00 0.00 C ATOM 126 CE2 PHE A 9 1.302 8.408 -11.855 1.00 0.00 C ATOM 127 CZ PHE A 9 2.635 8.000 -11.673 1.00 0.00 C ATOM 0 H PHE A 9 0.492 4.964 -7.312 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.130 7.773 -7.896 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.425 5.123 -9.287 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.486 6.441 -9.745 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.147 5.588 -9.304 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.748 8.126 -11.237 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.965 6.677 -10.606 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.066 9.183 -12.569 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.425 8.466 -12.244 1.00 0.00 H new ATOM 136 N ALA A 10 -2.177 5.729 -6.390 1.00 0.00 N ATOM 137 CA ALA A 10 -3.475 5.586 -5.746 1.00 0.00 C ATOM 138 C ALA A 10 -3.337 4.593 -4.597 1.00 0.00 C ATOM 139 O ALA A 10 -2.352 3.872 -4.518 1.00 0.00 O ATOM 140 CB ALA A 10 -4.511 5.085 -6.761 1.00 0.00 C ATOM 0 H ALA A 10 -1.516 4.995 -6.137 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.811 6.549 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.479 4.981 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.594 5.800 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.197 4.118 -7.154 1.00 0.00 H new ATOM 146 N SER A 11 -4.331 4.523 -3.715 1.00 0.00 N ATOM 147 CA SER A 11 -4.428 3.526 -2.659 1.00 0.00 C ATOM 148 C SER A 11 -4.469 2.109 -3.222 1.00 0.00 C ATOM 149 O SER A 11 -3.887 1.197 -2.641 1.00 0.00 O ATOM 150 CB SER A 11 -5.728 3.827 -1.901 1.00 0.00 C ATOM 151 OG SER A 11 -6.707 4.292 -2.818 1.00 0.00 O ATOM 0 H SER A 11 -5.112 5.179 -3.718 1.00 0.00 H new ATOM 0 HA SER A 11 -3.554 3.578 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.084 2.930 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.548 4.577 -1.131 1.00 0.00 H new ATOM 0 HG SER A 11 -7.540 4.484 -2.338 1.00 0.00 H new ATOM 156 N SER A 12 -5.174 1.901 -4.334 1.00 0.00 N ATOM 157 CA SER A 12 -5.343 0.580 -4.911 1.00 0.00 C ATOM 158 C SER A 12 -3.991 -0.084 -5.197 1.00 0.00 C ATOM 159 O SER A 12 -3.815 -1.278 -4.975 1.00 0.00 O ATOM 160 CB SER A 12 -6.224 0.701 -6.155 1.00 0.00 C ATOM 161 OG SER A 12 -5.864 1.858 -6.887 1.00 0.00 O ATOM 0 H SER A 12 -5.640 2.645 -4.854 1.00 0.00 H new ATOM 0 HA SER A 12 -5.842 -0.077 -4.199 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.111 -0.185 -6.779 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.273 0.755 -5.865 1.00 0.00 H new ATOM 0 HG SER A 12 -6.430 1.930 -7.684 1.00 0.00 H new ATOM 166 N GLU A 13 -3.016 0.721 -5.614 1.00 0.00 N ATOM 167 CA GLU A 13 -1.609 0.360 -5.696 1.00 0.00 C ATOM 168 C GLU A 13 -1.180 -0.502 -4.503 1.00 0.00 C ATOM 169 O GLU A 13 -0.656 -1.600 -4.665 1.00 0.00 O ATOM 170 CB GLU A 13 -0.833 1.667 -5.607 1.00 0.00 C ATOM 171 CG GLU A 13 0.632 1.564 -6.050 1.00 0.00 C ATOM 172 CD GLU A 13 0.806 2.122 -7.456 1.00 0.00 C ATOM 173 OE1 GLU A 13 0.492 3.323 -7.619 1.00 0.00 O ATOM 174 OE2 GLU A 13 1.210 1.340 -8.340 1.00 0.00 O ATOM 0 H GLU A 13 -3.195 1.679 -5.915 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.426 -0.199 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.334 2.416 -6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.865 2.025 -4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.268 2.112 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.953 0.523 -6.024 1.00 0.00 H new ATOM 179 N CYS A 14 -1.418 0.023 -3.297 1.00 0.00 N ATOM 180 CA CYS A 14 -1.013 -0.481 -2.012 1.00 0.00 C ATOM 181 C CYS A 14 -1.700 -1.794 -1.768 1.00 0.00 C ATOM 182 O CYS A 14 -1.170 -2.657 -1.076 1.00 0.00 O ATOM 183 CB CYS A 14 -1.499 0.461 -0.916 1.00 0.00 C ATOM 184 SG CYS A 14 -1.249 2.210 -1.134 1.00 0.00 S ATOM 0 H CYS A 14 -1.948 0.890 -3.204 1.00 0.00 H new ATOM 0 HA CYS A 14 0.073 -0.577 -2.000 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.567 0.292 -0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.011 0.169 0.014 1.00 0.00 H new ATOM 188 N TRP A 15 -2.907 -1.915 -2.319 1.00 0.00 N ATOM 189 CA TRP A 15 -3.660 -3.144 -2.185 1.00 0.00 C ATOM 190 C TRP A 15 -2.850 -4.207 -2.906 1.00 0.00 C ATOM 191 O TRP A 15 -2.271 -5.086 -2.271 1.00 0.00 O ATOM 192 CB TRP A 15 -5.085 -3.019 -2.736 1.00 0.00 C ATOM 193 CG TRP A 15 -5.992 -1.997 -2.134 1.00 0.00 C ATOM 194 CD1 TRP A 15 -5.663 -1.131 -1.156 1.00 0.00 C ATOM 195 CD2 TRP A 15 -7.373 -1.693 -2.485 1.00 0.00 C ATOM 196 NE1 TRP A 15 -6.743 -0.332 -0.861 1.00 0.00 N ATOM 197 CE2 TRP A 15 -7.828 -0.627 -1.657 1.00 0.00 C ATOM 198 CE3 TRP A 15 -8.286 -2.203 -3.433 1.00 0.00 C ATOM 199 CZ2 TRP A 15 -9.123 -0.100 -1.749 1.00 0.00 C ATOM 200 CZ3 TRP A 15 -9.588 -1.681 -3.541 1.00 0.00 C ATOM 201 CH2 TRP A 15 -10.010 -0.634 -2.700 1.00 0.00 C ATOM 0 H TRP A 15 -3.373 -1.182 -2.854 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.800 -3.405 -1.136 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -5.011 -2.810 -3.803 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -5.567 -3.991 -2.634 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.697 -1.073 -0.676 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -6.741 0.391 -0.141 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -7.980 -3.007 -4.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.435 0.704 -1.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -10.269 -2.087 -4.275 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -11.013 -0.242 -2.785 1.00 0.00 H new ATOM 211 N THR A 16 -2.739 -4.087 -4.229 1.00 0.00 N ATOM 212 CA THR A 16 -1.960 -4.995 -5.047 1.00 0.00 C ATOM 213 C THR A 16 -0.527 -5.146 -4.525 1.00 0.00 C ATOM 214 O THR A 16 0.032 -6.232 -4.638 1.00 0.00 O ATOM 215 CB THR A 16 -1.996 -4.486 -6.492 1.00 0.00 C ATOM 216 OG1 THR A 16 -2.065 -3.074 -6.529 1.00 0.00 O ATOM 217 CG2 THR A 16 -3.241 -5.018 -7.210 1.00 0.00 C ATOM 0 H THR A 16 -3.195 -3.346 -4.761 1.00 0.00 H new ATOM 0 HA THR A 16 -2.394 -5.994 -5.003 1.00 0.00 H new ATOM 0 HB THR A 16 -1.085 -4.833 -6.979 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.479 -2.700 -5.839 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.255 -4.649 -8.236 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.219 -6.108 -7.216 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.135 -4.676 -6.689 1.00 0.00 H new ATOM 225 N ALA A 17 0.073 -4.105 -3.934 1.00 0.00 N ATOM 226 CA ALA A 17 1.396 -4.229 -3.341 1.00 0.00 C ATOM 227 C ALA A 17 1.369 -5.248 -2.202 1.00 0.00 C ATOM 228 O ALA A 17 2.114 -6.228 -2.208 1.00 0.00 O ATOM 229 CB ALA A 17 1.919 -2.861 -2.874 1.00 0.00 C ATOM 0 H ALA A 17 -0.340 -3.175 -3.858 1.00 0.00 H new ATOM 0 HA ALA A 17 2.089 -4.594 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.909 -2.981 -2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.980 -2.184 -3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.239 -2.446 -2.129 1.00 0.00 H new ATOM 235 N CYS A 18 0.473 -5.039 -1.237 1.00 0.00 N ATOM 236 CA CYS A 18 0.330 -5.938 -0.103 1.00 0.00 C ATOM 237 C CYS A 18 -0.029 -7.334 -0.570 1.00 0.00 C ATOM 238 O CYS A 18 0.388 -8.323 0.024 1.00 0.00 O ATOM 239 CB CYS A 18 -0.734 -5.448 0.873 1.00 0.00 C ATOM 240 SG CYS A 18 -0.317 -5.945 2.564 1.00 0.00 S ATOM 0 H CYS A 18 -0.168 -4.246 -1.223 1.00 0.00 H new ATOM 0 HA CYS A 18 1.291 -5.959 0.411 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.816 -4.363 0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.706 -5.856 0.596 1.00 0.00 H new ATOM 244 N LYS A 19 -0.816 -7.426 -1.645 1.00 0.00 N ATOM 245 CA LYS A 19 -1.164 -8.696 -2.223 1.00 0.00 C ATOM 246 C LYS A 19 0.076 -9.410 -2.750 1.00 0.00 C ATOM 247 O LYS A 19 0.343 -10.547 -2.379 1.00 0.00 O ATOM 248 CB LYS A 19 -2.170 -8.463 -3.341 1.00 0.00 C ATOM 249 CG LYS A 19 -3.498 -8.051 -2.765 1.00 0.00 C ATOM 250 CD LYS A 19 -4.691 -8.340 -3.689 1.00 0.00 C ATOM 251 CE LYS A 19 -5.560 -9.523 -3.215 1.00 0.00 C ATOM 252 NZ LYS A 19 -4.784 -10.739 -2.882 1.00 0.00 N ATOM 0 H LYS A 19 -1.219 -6.621 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.608 -9.335 -1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.802 -7.690 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.287 -9.372 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.650 -8.570 -1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.472 -6.984 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.312 -7.447 -3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.321 -8.550 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.129 -9.215 -2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.282 -9.766 -3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.309 -11.582 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.864 -10.707 -3.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.633 -10.784 -1.854 1.00 0.00 H new ATOM 262 N LYS A 20 0.816 -8.729 -3.620 1.00 0.00 N ATOM 263 CA LYS A 20 2.048 -9.249 -4.204 1.00 0.00 C ATOM 264 C LYS A 20 3.017 -9.718 -3.117 1.00 0.00 C ATOM 265 O LYS A 20 3.575 -10.805 -3.221 1.00 0.00 O ATOM 266 CB LYS A 20 2.717 -8.211 -5.126 1.00 0.00 C ATOM 267 CG LYS A 20 2.435 -8.455 -6.617 1.00 0.00 C ATOM 268 CD LYS A 20 0.969 -8.209 -6.995 1.00 0.00 C ATOM 269 CE LYS A 20 0.646 -8.676 -8.423 1.00 0.00 C ATOM 270 NZ LYS A 20 1.446 -7.977 -9.451 1.00 0.00 N ATOM 0 H LYS A 20 0.575 -7.792 -3.942 1.00 0.00 H new ATOM 0 HA LYS A 20 1.782 -10.111 -4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.367 -7.215 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.794 -8.227 -4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.073 -7.803 -7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.703 -9.481 -6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.322 -8.731 -6.290 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.747 -7.146 -6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.824 -9.749 -8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.413 -8.514 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.162 -8.307 -10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.284 -6.952 -9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.455 -8.179 -9.302 1.00 0.00 H new ATOM 280 N VAL A 21 3.249 -8.897 -2.090 1.00 0.00 N ATOM 281 CA VAL A 21 4.184 -9.170 -1.044 1.00 0.00 C ATOM 282 C VAL A 21 3.664 -10.294 -0.153 1.00 0.00 C ATOM 283 O VAL A 21 4.408 -11.212 0.181 1.00 0.00 O ATOM 284 CB VAL A 21 4.262 -7.838 -0.296 1.00 0.00 C ATOM 285 CG1 VAL A 21 4.944 -7.984 1.033 1.00 0.00 C ATOM 286 CG2 VAL A 21 5.028 -6.797 -1.117 1.00 0.00 C ATOM 0 H VAL A 21 2.768 -8.004 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 21 5.159 -9.506 -1.396 1.00 0.00 H new ATOM 0 HB VAL A 21 3.235 -7.510 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.979 -7.016 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.390 -8.691 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.959 -8.352 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.071 -5.858 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.041 -7.154 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.519 -6.637 -2.067 1.00 0.00 H new ATOM 296 N THR A 22 2.419 -10.148 0.311 1.00 0.00 N ATOM 297 CA THR A 22 1.915 -10.821 1.491 1.00 0.00 C ATOM 298 C THR A 22 0.581 -11.546 1.227 1.00 0.00 C ATOM 299 O THR A 22 0.331 -12.592 1.819 1.00 0.00 O ATOM 300 CB THR A 22 1.890 -9.799 2.647 1.00 0.00 C ATOM 301 OG1 THR A 22 3.009 -10.002 3.486 1.00 0.00 O ATOM 302 CG2 THR A 22 0.629 -9.823 3.502 1.00 0.00 C ATOM 0 H THR A 22 1.729 -9.546 -0.138 1.00 0.00 H new ATOM 0 HA THR A 22 2.578 -11.635 1.785 1.00 0.00 H new ATOM 0 HB THR A 22 1.913 -8.822 2.165 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.991 -9.351 4.218 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.707 -9.070 4.286 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.238 -9.608 2.878 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.515 -10.808 3.955 1.00 0.00 H new ATOM 310 N GLY A 23 -0.284 -11.002 0.363 1.00 0.00 N ATOM 311 CA GLY A 23 -1.554 -11.614 -0.040 1.00 0.00 C ATOM 312 C GLY A 23 -2.763 -10.755 0.346 1.00 0.00 C ATOM 313 O GLY A 23 -3.770 -10.721 -0.368 1.00 0.00 O ATOM 0 H GLY A 23 -0.115 -10.102 -0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.553 -11.771 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.645 -12.596 0.425 1.00 0.00 H new ATOM 317 N SER A 24 -2.635 -10.034 1.457 1.00 0.00 N ATOM 318 CA SER A 24 -3.713 -9.367 2.183 1.00 0.00 C ATOM 319 C SER A 24 -3.978 -7.990 1.586 1.00 0.00 C ATOM 320 O SER A 24 -3.483 -6.984 2.084 1.00 0.00 O ATOM 321 CB SER A 24 -3.336 -9.257 3.665 1.00 0.00 C ATOM 322 OG SER A 24 -3.117 -10.548 4.201 1.00 0.00 O ATOM 0 H SER A 24 -1.727 -9.892 1.899 1.00 0.00 H new ATOM 0 HA SER A 24 -4.628 -9.953 2.095 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.438 -8.650 3.777 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.131 -8.755 4.216 1.00 0.00 H new ATOM 0 HG SER A 24 -2.875 -10.472 5.148 1.00 0.00 H new ATOM 327 N GLY A 25 -4.745 -7.943 0.499 1.00 0.00 N ATOM 328 CA GLY A 25 -4.817 -6.772 -0.361 1.00 0.00 C ATOM 329 C GLY A 25 -5.659 -5.608 0.182 1.00 0.00 C ATOM 330 O GLY A 25 -6.493 -5.090 -0.554 1.00 0.00 O ATOM 0 H GLY A 25 -5.333 -8.718 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.804 -6.412 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.225 -7.075 -1.325 1.00 0.00 H new ATOM 334 N GLN A 26 -5.484 -5.207 1.441 1.00 0.00 N ATOM 335 CA GLN A 26 -6.226 -4.138 2.085 1.00 0.00 C ATOM 336 C GLN A 26 -5.245 -3.052 2.518 1.00 0.00 C ATOM 337 O GLN A 26 -4.321 -3.349 3.267 1.00 0.00 O ATOM 338 CB GLN A 26 -6.946 -4.715 3.300 1.00 0.00 C ATOM 339 CG GLN A 26 -7.806 -5.905 2.874 1.00 0.00 C ATOM 340 CD GLN A 26 -8.804 -6.313 3.954 1.00 0.00 C ATOM 341 OE1 GLN A 26 -8.668 -5.943 5.116 1.00 0.00 O ATOM 342 NE2 GLN A 26 -9.819 -7.086 3.581 1.00 0.00 N ATOM 0 H GLN A 26 -4.795 -5.637 2.058 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.957 -3.706 1.402 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.220 -5.029 4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.570 -3.950 3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.345 -5.653 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.161 -6.752 2.640 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.907 -7.378 2.608 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.510 -7.387 4.268 1.00 0.00 H new ATOM 349 N GLY A 27 -5.413 -1.807 2.068 1.00 0.00 N ATOM 350 CA GLY A 27 -4.437 -0.773 2.370 1.00 0.00 C ATOM 351 C GLY A 27 -4.893 0.603 1.905 1.00 0.00 C ATOM 352 O GLY A 27 -6.048 0.780 1.515 1.00 0.00 O ATOM 0 H GLY A 27 -6.204 -1.499 1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.256 -0.750 3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.489 -1.020 1.892 1.00 0.00 H new ATOM 356 N LYS A 28 -3.985 1.577 1.931 1.00 0.00 N ATOM 357 CA LYS A 28 -4.232 2.934 1.468 1.00 0.00 C ATOM 358 C LYS A 28 -2.885 3.599 1.233 1.00 0.00 C ATOM 359 O LYS A 28 -1.921 3.307 1.943 1.00 0.00 O ATOM 360 CB LYS A 28 -5.070 3.703 2.504 1.00 0.00 C ATOM 361 CG LYS A 28 -5.592 5.042 1.957 1.00 0.00 C ATOM 362 CD LYS A 28 -6.353 5.817 3.037 1.00 0.00 C ATOM 363 CE LYS A 28 -6.878 7.138 2.451 1.00 0.00 C ATOM 364 NZ LYS A 28 -7.587 7.957 3.455 1.00 0.00 N ATOM 0 H LYS A 28 -3.038 1.438 2.283 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.800 2.929 0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.914 3.087 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.465 3.887 3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.757 5.641 1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.247 4.860 1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.183 5.218 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.698 6.018 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.043 7.709 2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.551 6.922 1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.922 8.836 3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.400 7.425 3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.939 8.187 4.235 1.00 0.00 H new ATOM 374 N CYS A 29 -2.812 4.467 0.217 1.00 0.00 N ATOM 375 CA CYS A 29 -1.588 5.175 -0.096 1.00 0.00 C ATOM 376 C CYS A 29 -1.566 6.464 0.726 1.00 0.00 C ATOM 377 O CYS A 29 -2.621 6.985 1.095 1.00 0.00 O ATOM 378 CB CYS A 29 -1.399 5.455 -1.589 1.00 0.00 C ATOM 379 SG CYS A 29 -1.701 7.102 -2.258 1.00 0.00 S ATOM 0 H CYS A 29 -3.595 4.689 -0.398 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.746 4.535 0.168 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.371 5.190 -1.838 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.046 4.765 -2.130 1.00 0.00 H new ATOM 383 N GLN A 30 -0.372 6.958 1.037 1.00 0.00 N ATOM 384 CA GLN A 30 -0.141 8.159 1.816 1.00 0.00 C ATOM 385 C GLN A 30 0.798 9.016 0.981 1.00 0.00 C ATOM 386 O GLN A 30 1.969 8.669 0.879 1.00 0.00 O ATOM 387 CB GLN A 30 0.547 7.753 3.130 1.00 0.00 C ATOM 388 CG GLN A 30 0.642 8.867 4.179 1.00 0.00 C ATOM 389 CD GLN A 30 -0.595 8.943 5.068 1.00 0.00 C ATOM 390 OE1 GLN A 30 -0.954 7.967 5.725 1.00 0.00 O ATOM 391 NE2 GLN A 30 -1.239 10.106 5.125 1.00 0.00 N ATOM 0 H GLN A 30 0.494 6.510 0.738 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.060 8.696 2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.005 6.912 3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.553 7.401 2.903 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.522 8.701 4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.783 9.824 3.676 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.915 10.896 4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.056 10.207 5.727 1.00 0.00 H new ATOM 398 N ASN A 31 0.329 10.127 0.405 1.00 0.00 N ATOM 399 CA ASN A 31 1.187 11.098 -0.277 1.00 0.00 C ATOM 400 C ASN A 31 1.831 10.493 -1.534 1.00 0.00 C ATOM 401 O ASN A 31 1.366 10.739 -2.642 1.00 0.00 O ATOM 402 CB ASN A 31 2.238 11.679 0.697 1.00 0.00 C ATOM 403 CG ASN A 31 1.700 12.852 1.510 1.00 0.00 C ATOM 404 OD1 ASN A 31 2.263 13.939 1.491 1.00 0.00 O ATOM 405 ND2 ASN A 31 0.606 12.646 2.239 1.00 0.00 N ATOM 0 H ASN A 31 -0.660 10.378 0.399 1.00 0.00 H new ATOM 0 HA ASN A 31 0.564 11.926 -0.614 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.572 10.894 1.376 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.111 12.004 0.132 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.217 13.404 2.800 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.157 11.730 2.237 1.00 0.00 H new ATOM 411 N ASN A 32 2.899 9.713 -1.346 1.00 0.00 N ATOM 412 CA ASN A 32 3.581 8.847 -2.287 1.00 0.00 C ATOM 413 C ASN A 32 4.402 7.784 -1.550 1.00 0.00 C ATOM 414 O ASN A 32 5.516 7.461 -1.940 1.00 0.00 O ATOM 415 CB ASN A 32 4.411 9.661 -3.290 1.00 0.00 C ATOM 416 CG ASN A 32 3.883 9.342 -4.656 1.00 0.00 C ATOM 417 OD1 ASN A 32 4.481 8.604 -5.430 1.00 0.00 O ATOM 418 ND2 ASN A 32 2.660 9.794 -4.869 1.00 0.00 N ATOM 0 H ASN A 32 3.347 9.676 -0.431 1.00 0.00 H new ATOM 0 HA ASN A 32 2.835 8.313 -2.875 1.00 0.00 H new ATOM 0 HB2 ASN A 32 4.327 10.728 -3.084 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.468 9.404 -3.215 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.160 9.531 -5.718 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.216 10.406 -4.185 1.00 0.00 H new ATOM 424 N GLN A 33 3.810 7.203 -0.507 1.00 0.00 N ATOM 425 CA GLN A 33 4.172 5.903 0.023 1.00 0.00 C ATOM 426 C GLN A 33 2.855 5.154 0.237 1.00 0.00 C ATOM 427 O GLN A 33 1.805 5.659 -0.164 1.00 0.00 O ATOM 428 CB GLN A 33 5.014 6.034 1.306 1.00 0.00 C ATOM 429 CG GLN A 33 4.238 6.628 2.488 1.00 0.00 C ATOM 430 CD GLN A 33 5.088 6.804 3.743 1.00 0.00 C ATOM 431 OE1 GLN A 33 5.072 7.867 4.355 1.00 0.00 O ATOM 432 NE2 GLN A 33 5.811 5.772 4.170 1.00 0.00 N ATOM 0 H GLN A 33 3.044 7.643 0.003 1.00 0.00 H new ATOM 0 HA GLN A 33 4.810 5.346 -0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.391 5.050 1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.882 6.660 1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.830 7.596 2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.391 5.982 2.719 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.810 4.897 3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.366 5.856 5.022 1.00 0.00 H new ATOM 439 N CYS A 34 2.867 3.982 0.880 1.00 0.00 N ATOM 440 CA CYS A 34 1.685 3.147 0.977 1.00 0.00 C ATOM 441 C CYS A 34 1.634 2.427 2.310 1.00 0.00 C ATOM 442 O CYS A 34 2.630 2.382 3.032 1.00 0.00 O ATOM 443 CB CYS A 34 1.661 2.182 -0.209 1.00 0.00 C ATOM 444 SG CYS A 34 0.699 2.465 -1.705 1.00 0.00 S ATOM 0 H CYS A 34 3.691 3.596 1.340 1.00 0.00 H new ATOM 0 HA CYS A 34 0.790 3.767 0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.696 2.063 -0.528 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.337 1.219 0.186 1.00 0.00 H new ATOM 448 N ARG A 35 0.445 1.932 2.661 1.00 0.00 N ATOM 449 CA ARG A 35 0.169 1.304 3.943 1.00 0.00 C ATOM 450 C ARG A 35 -0.785 0.149 3.712 1.00 0.00 C ATOM 451 O ARG A 35 -1.557 0.171 2.751 1.00 0.00 O ATOM 452 CB ARG A 35 -0.429 2.306 4.944 1.00 0.00 C ATOM 453 CG ARG A 35 0.422 3.573 4.963 1.00 0.00 C ATOM 454 CD ARG A 35 -0.104 4.733 5.799 1.00 0.00 C ATOM 455 NE ARG A 35 0.252 4.487 7.181 1.00 0.00 N ATOM 456 CZ ARG A 35 0.157 5.372 8.187 1.00 0.00 C ATOM 457 NH1 ARG A 35 -0.368 6.584 7.970 1.00 0.00 N ATOM 458 NH2 ARG A 35 0.592 5.042 9.408 1.00 0.00 N ATOM 0 H ARG A 35 -0.367 1.960 2.044 1.00 0.00 H new ATOM 0 HA ARG A 35 1.102 0.942 4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.455 2.548 4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.465 1.864 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.415 3.312 5.329 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.542 3.919 3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.325 5.675 5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.185 4.819 5.694 1.00 0.00 H new ATOM 0 HE ARG A 35 0.607 3.559 7.411 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.697 6.838 7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.439 7.254 8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.995 4.120 9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.521 5.713 10.173 1.00 0.00 H new ATOM 469 N CYS A 36 -0.720 -0.837 4.602 1.00 0.00 N ATOM 470 CA CYS A 36 -1.487 -2.077 4.513 1.00 0.00 C ATOM 471 C CYS A 36 -2.094 -2.439 5.864 1.00 0.00 C ATOM 472 O CYS A 36 -1.531 -2.099 6.903 1.00 0.00 O ATOM 473 CB CYS A 36 -0.635 -3.220 3.946 1.00 0.00 C ATOM 474 SG CYS A 36 -1.552 -4.771 3.747 1.00 0.00 S ATOM 0 H CYS A 36 -0.119 -0.796 5.425 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.310 -1.916 3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.232 -2.918 2.979 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.215 -3.391 4.606 1.00 0.00 H new ATOM 478 N TYR A 37 -3.261 -3.084 5.843 1.00 0.00 N ATOM 479 CA TYR A 37 -4.108 -3.392 6.985 1.00 0.00 C ATOM 480 C TYR A 37 -4.641 -4.820 6.853 1.00 0.00 C ATOM 481 O TYR A 37 -4.453 -5.464 5.817 1.00 0.00 O ATOM 482 CB TYR A 37 -5.249 -2.369 7.013 1.00 0.00 C ATOM 483 CG TYR A 37 -6.296 -2.608 8.081 1.00 0.00 C ATOM 484 CD1 TYR A 37 -6.043 -2.234 9.412 1.00 0.00 C ATOM 485 CD2 TYR A 37 -7.543 -3.164 7.738 1.00 0.00 C ATOM 486 CE1 TYR A 37 -7.040 -2.391 10.392 1.00 0.00 C ATOM 487 CE2 TYR A 37 -8.538 -3.319 8.715 1.00 0.00 C ATOM 488 CZ TYR A 37 -8.288 -2.926 10.041 1.00 0.00 C ATOM 489 OH TYR A 37 -9.270 -3.055 10.977 1.00 0.00 O ATOM 0 H TYR A 37 -3.661 -3.425 4.969 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.549 -3.333 7.919 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.823 -1.376 7.158 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.739 -2.366 6.039 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.081 -1.825 9.683 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.734 -3.472 6.721 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -6.845 -2.100 11.413 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.496 -3.740 8.448 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.069 -3.442 10.562 1.00 0.00 H new