USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=9 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 Set 1.1: A 31 ASN : amide:sc= 0 X(o=0.85,f=0.85) USER MOD Set 1.2: A 33 GLN : amide:sc= 0.851 K(o=0.85,f=-3.1) USER MOD Set 2.1: A 26 GLN : amide:sc= -0.404 K(o=-0.21,f=1.1) USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= 0.192 USER MOD Set 3.1: A 22 THR OG1 : rot -43:sc= 0.633 USER MOD Set 3.2: A 24 SER OG : rot 65:sc= 0.0942 USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 2.2 (180deg=1.85) USER MOD Single : A 11 SER OG : rot 160:sc= 0.815 USER MOD Single : A 12 SER OG : rot 180:sc= 0.146 USER MOD Single : A 16 THR OG1 : rot 46:sc= 0.627 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= 0.767 (180deg=0.501) USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00011) USER MOD Single : A 30 GLN : amide:sc= -0.313 K(o=-0.31,f=-0.83) USER MOD Single : A 32 ASN : amide:sc= 0.14 K(o=0.14,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 3 3.093 0.372 7.556 1.00 0.00 N ATOM 28 CA LEU A 3 3.516 1.382 6.595 1.00 0.00 C ATOM 29 C LEU A 3 4.729 0.953 5.787 1.00 0.00 C ATOM 30 O LEU A 3 5.599 0.248 6.292 1.00 0.00 O ATOM 31 CB LEU A 3 3.726 2.753 7.268 1.00 0.00 C ATOM 32 CG LEU A 3 4.875 2.832 8.290 1.00 0.00 C ATOM 33 CD1 LEU A 3 5.476 4.243 8.273 1.00 0.00 C ATOM 34 CD2 LEU A 3 4.402 2.526 9.718 1.00 0.00 C ATOM 0 HA LEU A 3 2.700 1.491 5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.907 3.494 6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.800 3.036 7.769 1.00 0.00 H new ATOM 0 HG LEU A 3 5.615 2.084 8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.290 4.301 8.996 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.860 4.463 7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.706 4.969 8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.247 2.594 10.403 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.638 3.247 10.011 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.984 1.520 9.755 1.00 0.00 H new ATOM 45 N ILE A 4 4.744 1.356 4.517 1.00 0.00 N ATOM 46 CA ILE A 4 5.677 0.913 3.521 1.00 0.00 C ATOM 47 C ILE A 4 6.189 2.178 2.823 1.00 0.00 C ATOM 48 O ILE A 4 5.600 3.247 3.006 1.00 0.00 O ATOM 49 CB ILE A 4 4.876 -0.033 2.603 1.00 0.00 C ATOM 50 CG1 ILE A 4 4.152 0.676 1.453 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.834 -0.860 3.390 1.00 0.00 C ATOM 52 CD1 ILE A 4 4.554 0.069 0.122 1.00 0.00 C ATOM 0 H ILE A 4 4.070 2.030 4.154 1.00 0.00 H new ATOM 0 HA ILE A 4 6.547 0.371 3.892 1.00 0.00 H new ATOM 0 HB ILE A 4 5.635 -0.688 2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.074 0.593 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.393 1.739 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.293 -1.512 2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.342 -1.465 4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.131 -0.187 3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.032 0.583 -0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.630 0.176 -0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.290 -0.988 0.110 1.00 0.00 H new ATOM 63 N ASP A 5 7.209 2.068 1.968 1.00 0.00 N ATOM 64 CA ASP A 5 7.584 3.168 1.089 1.00 0.00 C ATOM 65 C ASP A 5 7.796 2.660 -0.329 1.00 0.00 C ATOM 66 O ASP A 5 8.908 2.370 -0.762 1.00 0.00 O ATOM 67 CB ASP A 5 8.753 3.972 1.661 1.00 0.00 C ATOM 68 CG ASP A 5 8.915 5.306 0.948 1.00 0.00 C ATOM 69 OD1 ASP A 5 8.795 5.321 -0.292 1.00 0.00 O ATOM 70 OD2 ASP A 5 9.043 6.347 1.627 1.00 0.00 O ATOM 0 H ASP A 5 7.784 1.232 1.869 1.00 0.00 H new ATOM 0 HA ASP A 5 6.763 3.883 1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.591 4.144 2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.673 3.395 1.568 1.00 0.00 H new ATOM 74 N VAL A 6 6.672 2.551 -1.039 1.00 0.00 N ATOM 75 CA VAL A 6 6.627 2.482 -2.494 1.00 0.00 C ATOM 76 C VAL A 6 5.680 3.585 -2.975 1.00 0.00 C ATOM 77 O VAL A 6 4.665 3.857 -2.334 1.00 0.00 O ATOM 78 CB VAL A 6 6.229 1.076 -2.981 1.00 0.00 C ATOM 79 CG1 VAL A 6 6.108 1.028 -4.509 1.00 0.00 C ATOM 80 CG2 VAL A 6 7.284 0.043 -2.554 1.00 0.00 C ATOM 0 H VAL A 6 5.750 2.508 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 6 7.614 2.651 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 6 5.263 0.842 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.826 0.022 -4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.347 1.736 -4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.065 1.292 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.988 -0.946 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.249 0.308 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.364 0.033 -1.467 1.00 0.00 H new ATOM 90 N LYS A 7 6.065 4.270 -4.057 1.00 0.00 N ATOM 91 CA LYS A 7 5.426 5.483 -4.532 1.00 0.00 C ATOM 92 C LYS A 7 4.022 5.198 -5.071 1.00 0.00 C ATOM 93 O LYS A 7 3.888 4.682 -6.176 1.00 0.00 O ATOM 94 CB LYS A 7 6.302 6.181 -5.585 1.00 0.00 C ATOM 95 CG LYS A 7 7.355 7.166 -5.040 1.00 0.00 C ATOM 96 CD LYS A 7 8.672 6.562 -4.524 1.00 0.00 C ATOM 97 CE LYS A 7 8.684 6.074 -3.065 1.00 0.00 C ATOM 98 NZ LYS A 7 8.220 7.070 -2.078 1.00 0.00 N ATOM 0 H LYS A 7 6.853 3.980 -4.637 1.00 0.00 H new ATOM 0 HA LYS A 7 5.315 6.161 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.816 5.416 -6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.650 6.720 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.595 7.878 -5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.901 7.733 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.935 5.721 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.457 7.309 -4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.056 5.186 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.698 5.771 -2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.433 6.733 -1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.706 7.975 -2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.194 7.205 -2.177 1.00 0.00 H new ATOM 108 N CYS A 8 2.983 5.583 -4.321 1.00 0.00 N ATOM 109 CA CYS A 8 1.614 5.462 -4.814 1.00 0.00 C ATOM 110 C CYS A 8 1.374 6.397 -5.986 1.00 0.00 C ATOM 111 O CYS A 8 1.635 7.600 -5.898 1.00 0.00 O ATOM 112 CB CYS A 8 0.558 5.698 -3.757 1.00 0.00 C ATOM 113 SG CYS A 8 0.063 7.383 -3.292 1.00 0.00 S ATOM 0 H CYS A 8 3.066 5.975 -3.383 1.00 0.00 H new ATOM 0 HA CYS A 8 1.515 4.425 -5.135 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.343 5.179 -4.084 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.899 5.203 -2.848 1.00 0.00 H new ATOM 117 N PHE A 9 0.816 5.826 -7.045 1.00 0.00 N ATOM 118 CA PHE A 9 -0.080 6.477 -7.969 1.00 0.00 C ATOM 119 C PHE A 9 -1.471 6.532 -7.326 1.00 0.00 C ATOM 120 O PHE A 9 -2.190 7.507 -7.527 1.00 0.00 O ATOM 121 CB PHE A 9 -0.117 5.685 -9.282 1.00 0.00 C ATOM 122 CG PHE A 9 1.189 5.704 -10.057 1.00 0.00 C ATOM 123 CD1 PHE A 9 2.257 4.871 -9.667 1.00 0.00 C ATOM 124 CD2 PHE A 9 1.347 6.570 -11.155 1.00 0.00 C ATOM 125 CE1 PHE A 9 3.478 4.922 -10.358 1.00 0.00 C ATOM 126 CE2 PHE A 9 2.562 6.604 -11.858 1.00 0.00 C ATOM 127 CZ PHE A 9 3.632 5.785 -11.458 1.00 0.00 C ATOM 0 H PHE A 9 0.989 4.850 -7.287 1.00 0.00 H new ATOM 0 HA PHE A 9 0.257 7.490 -8.191 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.381 4.651 -9.062 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.908 6.088 -9.914 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.136 4.193 -8.835 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.532 7.210 -11.458 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.301 4.297 -10.044 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.675 7.261 -12.708 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.569 5.818 -11.993 1.00 0.00 H new ATOM 136 N ALA A 10 -1.867 5.496 -6.569 1.00 0.00 N ATOM 137 CA ALA A 10 -3.196 5.439 -5.963 1.00 0.00 C ATOM 138 C ALA A 10 -3.259 4.432 -4.813 1.00 0.00 C ATOM 139 O ALA A 10 -2.525 3.455 -4.792 1.00 0.00 O ATOM 140 CB ALA A 10 -4.233 5.066 -7.029 1.00 0.00 C ATOM 0 H ALA A 10 -1.280 4.687 -6.365 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.415 6.425 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.223 5.024 -6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.228 5.816 -7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.986 4.092 -7.452 1.00 0.00 H new ATOM 146 N SER A 11 -4.186 4.634 -3.872 1.00 0.00 N ATOM 147 CA SER A 11 -4.463 3.695 -2.787 1.00 0.00 C ATOM 148 C SER A 11 -4.685 2.268 -3.288 1.00 0.00 C ATOM 149 O SER A 11 -4.223 1.311 -2.671 1.00 0.00 O ATOM 150 CB SER A 11 -5.700 4.173 -2.025 1.00 0.00 C ATOM 151 OG SER A 11 -5.354 5.296 -1.236 1.00 0.00 O ATOM 0 H SER A 11 -4.773 5.468 -3.844 1.00 0.00 H new ATOM 0 HA SER A 11 -3.590 3.670 -2.134 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.494 4.435 -2.724 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.084 3.373 -1.392 1.00 0.00 H new ATOM 0 HG SER A 11 -6.165 5.796 -1.005 1.00 0.00 H new ATOM 156 N SER A 12 -5.406 2.116 -4.398 1.00 0.00 N ATOM 157 CA SER A 12 -5.711 0.821 -4.971 1.00 0.00 C ATOM 158 C SER A 12 -4.446 0.044 -5.360 1.00 0.00 C ATOM 159 O SER A 12 -4.484 -1.175 -5.491 1.00 0.00 O ATOM 160 CB SER A 12 -6.647 1.039 -6.163 1.00 0.00 C ATOM 161 OG SER A 12 -6.421 2.329 -6.715 1.00 0.00 O ATOM 0 H SER A 12 -5.795 2.899 -4.923 1.00 0.00 H new ATOM 0 HA SER A 12 -6.207 0.200 -4.225 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.474 0.273 -6.919 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.685 0.945 -5.845 1.00 0.00 H new ATOM 0 HG SER A 12 -7.019 2.467 -7.479 1.00 0.00 H new ATOM 166 N GLU A 13 -3.321 0.734 -5.528 1.00 0.00 N ATOM 167 CA GLU A 13 -2.034 0.132 -5.814 1.00 0.00 C ATOM 168 C GLU A 13 -1.485 -0.581 -4.584 1.00 0.00 C ATOM 169 O GLU A 13 -0.961 -1.680 -4.678 1.00 0.00 O ATOM 170 CB GLU A 13 -1.097 1.278 -6.104 1.00 0.00 C ATOM 171 CG GLU A 13 0.220 0.858 -6.759 1.00 0.00 C ATOM 172 CD GLU A 13 1.051 2.083 -7.100 1.00 0.00 C ATOM 173 OE1 GLU A 13 0.473 3.191 -7.041 1.00 0.00 O ATOM 174 OE2 GLU A 13 2.241 1.892 -7.422 1.00 0.00 O ATOM 0 H GLU A 13 -3.285 1.751 -5.466 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.128 -0.581 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.603 1.991 -6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.877 1.798 -5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.778 0.207 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.018 0.284 -7.663 1.00 0.00 H new ATOM 179 N CYS A 14 -1.587 0.066 -3.419 1.00 0.00 N ATOM 180 CA CYS A 14 -1.155 -0.413 -2.126 1.00 0.00 C ATOM 181 C CYS A 14 -1.805 -1.749 -1.858 1.00 0.00 C ATOM 182 O CYS A 14 -1.270 -2.578 -1.131 1.00 0.00 O ATOM 183 CB CYS A 14 -1.655 0.528 -1.037 1.00 0.00 C ATOM 184 SG CYS A 14 -1.405 2.270 -1.265 1.00 0.00 S ATOM 0 H CYS A 14 -2.001 0.996 -3.363 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.067 -0.479 -2.123 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.724 0.357 -0.913 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.175 0.241 -0.101 1.00 0.00 H new ATOM 188 N TRP A 15 -2.994 -1.918 -2.434 1.00 0.00 N ATOM 189 CA TRP A 15 -3.733 -3.156 -2.280 1.00 0.00 C ATOM 190 C TRP A 15 -2.925 -4.260 -2.951 1.00 0.00 C ATOM 191 O TRP A 15 -2.354 -5.120 -2.282 1.00 0.00 O ATOM 192 CB TRP A 15 -5.142 -3.037 -2.867 1.00 0.00 C ATOM 193 CG TRP A 15 -6.063 -2.020 -2.283 1.00 0.00 C ATOM 194 CD1 TRP A 15 -5.765 -1.147 -1.299 1.00 0.00 C ATOM 195 CD2 TRP A 15 -7.443 -1.731 -2.661 1.00 0.00 C ATOM 196 NE1 TRP A 15 -6.864 -0.366 -1.022 1.00 0.00 N ATOM 197 CE2 TRP A 15 -7.927 -0.672 -1.842 1.00 0.00 C ATOM 198 CE3 TRP A 15 -8.328 -2.252 -3.628 1.00 0.00 C ATOM 199 CZ2 TRP A 15 -9.229 -0.161 -1.965 1.00 0.00 C ATOM 200 CZ3 TRP A 15 -9.633 -1.744 -3.765 1.00 0.00 C ATOM 201 CH2 TRP A 15 -10.085 -0.705 -2.934 1.00 0.00 C ATOM 0 H TRP A 15 -3.459 -1.214 -3.007 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.869 -3.391 -1.224 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -5.043 -2.825 -3.931 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -5.623 -4.011 -2.780 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.808 -1.072 -0.803 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -6.888 0.352 -0.298 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -7.999 -3.053 -4.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.566 0.639 -1.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -10.292 -2.156 -4.515 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -11.090 -0.326 -3.041 1.00 0.00 H new ATOM 211 N THR A 16 -2.825 -4.208 -4.280 1.00 0.00 N ATOM 212 CA THR A 16 -2.027 -5.126 -5.067 1.00 0.00 C ATOM 213 C THR A 16 -0.571 -5.160 -4.588 1.00 0.00 C ATOM 214 O THR A 16 0.071 -6.195 -4.738 1.00 0.00 O ATOM 215 CB THR A 16 -2.152 -4.738 -6.548 1.00 0.00 C ATOM 216 OG1 THR A 16 -2.399 -3.348 -6.646 1.00 0.00 O ATOM 217 CG2 THR A 16 -3.339 -5.457 -7.193 1.00 0.00 C ATOM 0 H THR A 16 -3.310 -3.509 -4.843 1.00 0.00 H new ATOM 0 HA THR A 16 -2.400 -6.142 -4.939 1.00 0.00 H new ATOM 0 HB THR A 16 -1.226 -5.015 -7.052 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.782 -2.864 -6.059 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.412 -5.170 -8.242 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.194 -6.535 -7.121 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.257 -5.179 -6.676 1.00 0.00 H new ATOM 225 N ALA A 17 -0.044 -4.092 -3.972 1.00 0.00 N ATOM 226 CA ALA A 17 1.288 -4.130 -3.390 1.00 0.00 C ATOM 227 C ALA A 17 1.317 -5.121 -2.228 1.00 0.00 C ATOM 228 O ALA A 17 2.102 -6.068 -2.234 1.00 0.00 O ATOM 229 CB ALA A 17 1.750 -2.728 -2.963 1.00 0.00 C ATOM 0 H ALA A 17 -0.525 -3.198 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 17 1.994 -4.473 -4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.749 -2.790 -2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.770 -2.071 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.059 -2.327 -2.221 1.00 0.00 H new ATOM 235 N CYS A 18 0.423 -4.927 -1.254 1.00 0.00 N ATOM 236 CA CYS A 18 0.296 -5.798 -0.089 1.00 0.00 C ATOM 237 C CYS A 18 0.084 -7.237 -0.528 1.00 0.00 C ATOM 238 O CYS A 18 0.617 -8.184 0.057 1.00 0.00 O ATOM 239 CB CYS A 18 -0.863 -5.365 0.805 1.00 0.00 C ATOM 240 SG CYS A 18 -0.590 -5.904 2.512 1.00 0.00 S ATOM 0 H CYS A 18 -0.239 -4.151 -1.255 1.00 0.00 H new ATOM 0 HA CYS A 18 1.221 -5.722 0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.968 -4.281 0.773 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.795 -5.787 0.430 1.00 0.00 H new ATOM 244 N LYS A 19 -0.704 -7.395 -1.595 1.00 0.00 N ATOM 245 CA LYS A 19 -0.954 -8.685 -2.170 1.00 0.00 C ATOM 246 C LYS A 19 0.341 -9.292 -2.707 1.00 0.00 C ATOM 247 O LYS A 19 0.702 -10.418 -2.385 1.00 0.00 O ATOM 248 CB LYS A 19 -1.982 -8.540 -3.282 1.00 0.00 C ATOM 249 CG LYS A 19 -3.338 -8.221 -2.704 1.00 0.00 C ATOM 250 CD LYS A 19 -4.520 -8.798 -3.502 1.00 0.00 C ATOM 251 CE LYS A 19 -4.634 -8.211 -4.912 1.00 0.00 C ATOM 252 NZ LYS A 19 -5.784 -8.783 -5.649 1.00 0.00 N ATOM 0 H LYS A 19 -1.176 -6.626 -2.070 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.343 -9.356 -1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.677 -7.750 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.034 -9.462 -3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.384 -8.602 -1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.449 -7.138 -2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.410 -9.880 -3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.446 -8.607 -2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.744 -7.128 -4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.714 -8.406 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.831 -8.363 -6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.666 -9.813 -5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.664 -8.575 -5.135 1.00 0.00 H new ATOM 262 N LYS A 20 1.028 -8.530 -3.557 1.00 0.00 N ATOM 263 CA LYS A 20 2.267 -8.950 -4.182 1.00 0.00 C ATOM 264 C LYS A 20 3.309 -9.429 -3.181 1.00 0.00 C ATOM 265 O LYS A 20 4.001 -10.392 -3.514 1.00 0.00 O ATOM 266 CB LYS A 20 2.861 -7.868 -5.093 1.00 0.00 C ATOM 267 CG LYS A 20 2.273 -7.892 -6.506 1.00 0.00 C ATOM 268 CD LYS A 20 2.476 -9.213 -7.271 1.00 0.00 C ATOM 269 CE LYS A 20 3.928 -9.736 -7.296 1.00 0.00 C ATOM 270 NZ LYS A 20 4.259 -10.677 -6.197 1.00 0.00 N ATOM 0 H LYS A 20 0.730 -7.593 -3.830 1.00 0.00 H new ATOM 0 HA LYS A 20 1.995 -9.804 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.685 -6.889 -4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.941 -8.002 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.204 -7.686 -6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.720 -7.082 -7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.839 -9.976 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.137 -9.076 -8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.106 -10.233 -8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.609 -8.886 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.171 -11.135 -6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.321 -10.155 -5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.516 -11.402 -6.125 1.00 0.00 H new ATOM 280 N VAL A 21 3.467 -8.765 -2.034 1.00 0.00 N ATOM 281 CA VAL A 21 4.280 -9.301 -0.959 1.00 0.00 C ATOM 282 C VAL A 21 3.638 -10.548 -0.344 1.00 0.00 C ATOM 283 O VAL A 21 4.262 -11.606 -0.316 1.00 0.00 O ATOM 284 CB VAL A 21 4.566 -8.250 0.131 1.00 0.00 C ATOM 285 CG1 VAL A 21 6.062 -7.966 0.114 1.00 0.00 C ATOM 286 CG2 VAL A 21 3.886 -6.890 -0.015 1.00 0.00 C ATOM 0 H VAL A 21 3.042 -7.860 -1.833 1.00 0.00 H new ATOM 0 HA VAL A 21 5.235 -9.586 -1.401 1.00 0.00 H new ATOM 0 HB VAL A 21 4.171 -8.693 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.300 -7.224 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.609 -8.886 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.349 -7.585 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.173 -6.248 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.195 -6.428 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.804 -7.022 -0.014 1.00 0.00 H new ATOM 296 N THR A 22 2.431 -10.401 0.210 1.00 0.00 N ATOM 297 CA THR A 22 1.812 -11.423 1.045 1.00 0.00 C ATOM 298 C THR A 22 0.577 -11.995 0.359 1.00 0.00 C ATOM 299 O THR A 22 0.517 -13.178 0.036 1.00 0.00 O ATOM 300 CB THR A 22 1.438 -10.827 2.413 1.00 0.00 C ATOM 301 OG1 THR A 22 0.607 -9.689 2.271 1.00 0.00 O ATOM 302 CG2 THR A 22 2.668 -10.456 3.244 1.00 0.00 C ATOM 0 H THR A 22 1.858 -9.566 0.089 1.00 0.00 H new ATOM 0 HA THR A 22 2.526 -12.233 1.197 1.00 0.00 H new ATOM 0 HB THR A 22 0.892 -11.608 2.942 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.949 -9.122 1.548 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.349 -10.040 4.200 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.271 -11.347 3.419 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.261 -9.716 2.706 1.00 0.00 H new ATOM 310 N GLY A 23 -0.430 -11.139 0.202 1.00 0.00 N ATOM 311 CA GLY A 23 -1.761 -11.546 -0.252 1.00 0.00 C ATOM 312 C GLY A 23 -2.885 -10.693 0.338 1.00 0.00 C ATOM 313 O GLY A 23 -3.974 -10.613 -0.234 1.00 0.00 O ATOM 0 H GLY A 23 -0.347 -10.139 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.801 -11.486 -1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.926 -12.589 0.016 1.00 0.00 H new ATOM 317 N SER A 24 -2.648 -10.048 1.480 1.00 0.00 N ATOM 318 CA SER A 24 -3.689 -9.398 2.267 1.00 0.00 C ATOM 319 C SER A 24 -3.979 -8.014 1.692 1.00 0.00 C ATOM 320 O SER A 24 -3.606 -6.999 2.271 1.00 0.00 O ATOM 321 CB SER A 24 -3.243 -9.364 3.735 1.00 0.00 C ATOM 322 OG SER A 24 -1.845 -9.149 3.803 1.00 0.00 O ATOM 0 H SER A 24 -1.717 -9.963 1.887 1.00 0.00 H new ATOM 0 HA SER A 24 -4.626 -9.953 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.769 -8.571 4.267 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.501 -10.303 4.226 1.00 0.00 H new ATOM 0 HG SER A 24 -1.633 -8.260 3.450 1.00 0.00 H new ATOM 327 N GLY A 25 -4.636 -7.979 0.533 1.00 0.00 N ATOM 328 CA GLY A 25 -4.707 -6.820 -0.353 1.00 0.00 C ATOM 329 C GLY A 25 -5.543 -5.623 0.128 1.00 0.00 C ATOM 330 O GLY A 25 -6.417 -5.173 -0.610 1.00 0.00 O ATOM 0 H GLY A 25 -5.150 -8.784 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.691 -6.471 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.108 -7.150 -1.311 1.00 0.00 H new ATOM 334 N GLN A 26 -5.329 -5.129 1.348 1.00 0.00 N ATOM 335 CA GLN A 26 -6.216 -4.223 2.057 1.00 0.00 C ATOM 336 C GLN A 26 -5.415 -3.048 2.618 1.00 0.00 C ATOM 337 O GLN A 26 -4.739 -3.199 3.636 1.00 0.00 O ATOM 338 CB GLN A 26 -6.851 -5.028 3.195 1.00 0.00 C ATOM 339 CG GLN A 26 -7.509 -6.297 2.647 1.00 0.00 C ATOM 340 CD GLN A 26 -8.269 -7.047 3.729 1.00 0.00 C ATOM 341 OE1 GLN A 26 -7.884 -8.150 4.106 1.00 0.00 O ATOM 342 NE2 GLN A 26 -9.321 -6.448 4.271 1.00 0.00 N ATOM 0 H GLN A 26 -4.495 -5.363 1.887 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.982 -3.818 1.396 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.091 -5.293 3.930 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.594 -4.419 3.710 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.191 -6.033 1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.746 -6.948 2.220 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.615 -5.531 3.935 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.836 -6.904 5.024 1.00 0.00 H new ATOM 349 N GLY A 27 -5.466 -1.882 1.970 1.00 0.00 N ATOM 350 CA GLY A 27 -4.585 -0.778 2.321 1.00 0.00 C ATOM 351 C GLY A 27 -5.066 0.572 1.800 1.00 0.00 C ATOM 352 O GLY A 27 -6.217 0.713 1.381 1.00 0.00 O ATOM 0 H GLY A 27 -6.108 -1.683 1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.492 -0.728 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.589 -0.978 1.925 1.00 0.00 H new ATOM 356 N LYS A 28 -4.183 1.571 1.825 1.00 0.00 N ATOM 357 CA LYS A 28 -4.445 2.923 1.350 1.00 0.00 C ATOM 358 C LYS A 28 -3.100 3.607 1.160 1.00 0.00 C ATOM 359 O LYS A 28 -2.162 3.329 1.909 1.00 0.00 O ATOM 360 CB LYS A 28 -5.321 3.673 2.371 1.00 0.00 C ATOM 361 CG LYS A 28 -5.769 5.063 1.891 1.00 0.00 C ATOM 362 CD LYS A 28 -6.347 5.923 3.029 1.00 0.00 C ATOM 363 CE LYS A 28 -7.567 5.316 3.734 1.00 0.00 C ATOM 364 NZ LYS A 28 -8.688 5.059 2.805 1.00 0.00 N ATOM 0 H LYS A 28 -3.237 1.454 2.188 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.987 2.914 0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.203 3.072 2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.767 3.781 3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.920 5.580 1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.520 4.949 1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.565 6.096 3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.625 6.897 2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.277 4.382 4.215 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.900 5.991 4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.493 4.665 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.974 5.950 2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.387 4.381 2.077 1.00 0.00 H new ATOM 374 N CYS A 29 -2.994 4.468 0.142 1.00 0.00 N ATOM 375 CA CYS A 29 -1.755 5.162 -0.129 1.00 0.00 C ATOM 376 C CYS A 29 -1.728 6.445 0.695 1.00 0.00 C ATOM 377 O CYS A 29 -2.767 6.901 1.170 1.00 0.00 O ATOM 378 CB CYS A 29 -1.504 5.457 -1.613 1.00 0.00 C ATOM 379 SG CYS A 29 -1.768 7.092 -2.314 1.00 0.00 S ATOM 0 H CYS A 29 -3.755 4.693 -0.499 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.942 4.496 0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.467 5.191 -1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.127 4.766 -2.181 1.00 0.00 H new ATOM 383 N GLN A 30 -0.546 7.030 0.868 1.00 0.00 N ATOM 384 CA GLN A 30 -0.394 8.338 1.464 1.00 0.00 C ATOM 385 C GLN A 30 0.737 9.027 0.732 1.00 0.00 C ATOM 386 O GLN A 30 1.800 8.441 0.586 1.00 0.00 O ATOM 387 CB GLN A 30 -0.029 8.193 2.946 1.00 0.00 C ATOM 388 CG GLN A 30 -0.014 9.528 3.700 1.00 0.00 C ATOM 389 CD GLN A 30 -1.288 10.336 3.470 1.00 0.00 C ATOM 390 OE1 GLN A 30 -1.314 11.217 2.619 1.00 0.00 O ATOM 391 NE2 GLN A 30 -2.355 10.020 4.198 1.00 0.00 N ATOM 0 H GLN A 30 0.337 6.599 0.593 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.319 8.910 1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.742 7.521 3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.953 7.727 3.027 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.106 9.339 4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.848 10.114 3.381 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.294 9.280 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.234 10.518 4.057 1.00 0.00 H new ATOM 398 N ASN A 31 0.539 10.277 0.327 1.00 0.00 N ATOM 399 CA ASN A 31 1.596 11.119 -0.194 1.00 0.00 C ATOM 400 C ASN A 31 2.143 10.526 -1.502 1.00 0.00 C ATOM 401 O ASN A 31 1.565 10.770 -2.556 1.00 0.00 O ATOM 402 CB ASN A 31 2.612 11.376 0.936 1.00 0.00 C ATOM 403 CG ASN A 31 3.409 12.645 0.667 1.00 0.00 C ATOM 404 OD1 ASN A 31 4.541 12.589 0.207 1.00 0.00 O ATOM 405 ND2 ASN A 31 2.821 13.804 0.943 1.00 0.00 N ATOM 0 H ASN A 31 -0.373 10.734 0.354 1.00 0.00 H new ATOM 0 HA ASN A 31 1.244 12.107 -0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.089 11.464 1.888 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.290 10.527 1.022 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.315 14.680 0.772 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.876 13.818 1.326 1.00 0.00 H new ATOM 411 N ASN A 32 3.177 9.687 -1.415 1.00 0.00 N ATOM 412 CA ASN A 32 3.594 8.679 -2.391 1.00 0.00 C ATOM 413 C ASN A 32 4.369 7.627 -1.597 1.00 0.00 C ATOM 414 O ASN A 32 5.569 7.421 -1.786 1.00 0.00 O ATOM 415 CB ASN A 32 4.431 9.217 -3.560 1.00 0.00 C ATOM 416 CG ASN A 32 3.816 10.360 -4.292 1.00 0.00 C ATOM 417 OD1 ASN A 32 4.191 11.519 -4.136 1.00 0.00 O ATOM 418 ND2 ASN A 32 2.798 10.042 -5.039 1.00 0.00 N ATOM 0 H ASN A 32 3.790 9.695 -0.600 1.00 0.00 H new ATOM 0 HA ASN A 32 2.709 8.274 -2.881 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.404 9.528 -3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 32 4.609 8.405 -4.265 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.275 10.770 -5.525 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.524 9.065 -5.138 1.00 0.00 H new ATOM 424 N GLN A 33 3.647 6.996 -0.681 1.00 0.00 N ATOM 425 CA GLN A 33 3.974 5.881 0.182 1.00 0.00 C ATOM 426 C GLN A 33 2.647 5.140 0.347 1.00 0.00 C ATOM 427 O GLN A 33 1.631 5.586 -0.188 1.00 0.00 O ATOM 428 CB GLN A 33 4.464 6.389 1.547 1.00 0.00 C ATOM 429 CG GLN A 33 5.943 6.778 1.533 1.00 0.00 C ATOM 430 CD GLN A 33 6.254 8.197 1.071 1.00 0.00 C ATOM 431 OE1 GLN A 33 5.369 9.014 0.837 1.00 0.00 O ATOM 432 NE2 GLN A 33 7.543 8.491 0.940 1.00 0.00 N ATOM 0 H GLN A 33 2.689 7.301 -0.508 1.00 0.00 H new ATOM 0 HA GLN A 33 4.765 5.252 -0.226 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.868 7.252 1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.303 5.615 2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.342 6.648 2.539 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.476 6.081 0.886 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.250 7.785 1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.825 9.423 0.636 1.00 0.00 H new ATOM 439 N CYS A 34 2.605 4.036 1.091 1.00 0.00 N ATOM 440 CA CYS A 34 1.405 3.232 1.188 1.00 0.00 C ATOM 441 C CYS A 34 1.390 2.501 2.514 1.00 0.00 C ATOM 442 O CYS A 34 2.419 2.384 3.183 1.00 0.00 O ATOM 443 CB CYS A 34 1.392 2.244 0.015 1.00 0.00 C ATOM 444 SG CYS A 34 0.606 2.530 -1.583 1.00 0.00 S ATOM 0 H CYS A 34 3.394 3.684 1.633 1.00 0.00 H new ATOM 0 HA CYS A 34 0.515 3.860 1.140 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.438 2.027 -0.203 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.950 1.327 0.404 1.00 0.00 H new ATOM 448 N ARG A 35 0.198 2.046 2.907 1.00 0.00 N ATOM 449 CA ARG A 35 -0.034 1.312 4.133 1.00 0.00 C ATOM 450 C ARG A 35 -0.988 0.166 3.857 1.00 0.00 C ATOM 451 O ARG A 35 -1.806 0.262 2.939 1.00 0.00 O ATOM 452 CB ARG A 35 -0.609 2.242 5.206 1.00 0.00 C ATOM 453 CG ARG A 35 0.431 3.262 5.621 1.00 0.00 C ATOM 454 CD ARG A 35 -0.220 4.444 6.331 1.00 0.00 C ATOM 455 NE ARG A 35 0.544 4.665 7.541 1.00 0.00 N ATOM 456 CZ ARG A 35 1.275 5.733 7.909 1.00 0.00 C ATOM 457 NH1 ARG A 35 1.360 6.804 7.114 1.00 0.00 N ATOM 458 NH2 ARG A 35 1.928 5.717 9.075 1.00 0.00 N ATOM 0 H ARG A 35 -0.650 2.187 2.359 1.00 0.00 H new ATOM 0 HA ARG A 35 0.911 0.911 4.501 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.494 2.749 4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.925 1.660 6.072 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.162 2.794 6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.972 3.613 4.743 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.210 5.331 5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.263 4.231 6.564 1.00 0.00 H new ATOM 0 HE ARG A 35 0.525 3.898 8.213 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.868 6.816 6.220 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.916 7.609 7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.871 4.898 9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.484 6.524 9.359 1.00 0.00 H new ATOM 469 N CYS A 36 -0.881 -0.896 4.659 1.00 0.00 N ATOM 470 CA CYS A 36 -1.709 -2.091 4.555 1.00 0.00 C ATOM 471 C CYS A 36 -2.135 -2.501 5.957 1.00 0.00 C ATOM 472 O CYS A 36 -1.349 -2.371 6.891 1.00 0.00 O ATOM 473 CB CYS A 36 -0.957 -3.207 3.842 1.00 0.00 C ATOM 474 SG CYS A 36 -1.897 -4.735 3.634 1.00 0.00 S ATOM 0 H CYS A 36 -0.199 -0.946 5.416 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.598 -1.884 3.959 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.649 -2.849 2.860 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.048 -3.429 4.400 1.00 0.00 H new ATOM 478 N TYR A 37 -3.401 -2.888 6.120 1.00 0.00 N ATOM 479 CA TYR A 37 -4.085 -2.769 7.404 1.00 0.00 C ATOM 480 C TYR A 37 -3.829 -3.947 8.344 1.00 0.00 C ATOM 481 O TYR A 37 -3.719 -3.750 9.553 1.00 0.00 O ATOM 482 CB TYR A 37 -5.582 -2.473 7.191 1.00 0.00 C ATOM 483 CG TYR A 37 -6.549 -3.646 7.182 1.00 0.00 C ATOM 484 CD1 TYR A 37 -6.197 -4.892 6.624 1.00 0.00 C ATOM 485 CD2 TYR A 37 -7.840 -3.467 7.714 1.00 0.00 C ATOM 486 CE1 TYR A 37 -7.110 -5.960 6.657 1.00 0.00 C ATOM 487 CE2 TYR A 37 -8.767 -4.523 7.705 1.00 0.00 C ATOM 488 CZ TYR A 37 -8.402 -5.770 7.176 1.00 0.00 C ATOM 489 OH TYR A 37 -9.330 -6.768 7.083 1.00 0.00 O ATOM 0 H TYR A 37 -3.973 -3.287 5.376 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.651 -1.916 7.925 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.900 -1.784 7.973 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.686 -1.947 6.242 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.226 -5.026 6.171 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.120 -2.511 8.132 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -6.818 -6.930 6.282 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.759 -4.375 8.105 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.170 -6.472 7.492 1.00 0.00 H new