USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=6 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= 0.819 X(o=1.3,f=1.6) USER MOD Set 1.2: A 33 GLN : amide:sc= 0.491 X(o=1.3,f=1.6) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.737 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0526 USER MOD Single : A 16 THR OG1 : rot 42:sc= 1.33 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.917 K(o=0.92,f=-8.5!) USER MOD Single : A 32 ASN : amide:sc= 0.316 K(o=0.32,f=-0.45) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 3 3.487 -0.300 6.709 1.00 0.00 N ATOM 28 CA LEU A 3 3.847 0.986 6.156 1.00 0.00 C ATOM 29 C LEU A 3 5.081 0.779 5.300 1.00 0.00 C ATOM 30 O LEU A 3 6.018 0.107 5.731 1.00 0.00 O ATOM 31 CB LEU A 3 3.956 2.097 7.209 1.00 0.00 C ATOM 32 CG LEU A 3 5.123 1.949 8.197 1.00 0.00 C ATOM 33 CD1 LEU A 3 5.440 3.315 8.814 1.00 0.00 C ATOM 34 CD2 LEU A 3 4.824 0.950 9.323 1.00 0.00 C ATOM 0 HA LEU A 3 3.047 1.366 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.054 3.054 6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.025 2.133 7.774 1.00 0.00 H new ATOM 0 HG LEU A 3 5.975 1.565 7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.268 3.214 9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.716 4.015 8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.562 3.689 9.340 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.683 0.886 9.990 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.952 1.285 9.885 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.624 -0.032 8.894 1.00 0.00 H new ATOM 45 N ILE A 4 5.012 1.219 4.046 1.00 0.00 N ATOM 46 CA ILE A 4 5.909 0.804 3.007 1.00 0.00 C ATOM 47 C ILE A 4 6.294 2.061 2.232 1.00 0.00 C ATOM 48 O ILE A 4 5.570 3.059 2.256 1.00 0.00 O ATOM 49 CB ILE A 4 5.174 -0.263 2.172 1.00 0.00 C ATOM 50 CG1 ILE A 4 4.270 0.317 1.085 1.00 0.00 C ATOM 51 CG2 ILE A 4 4.317 -1.202 3.050 1.00 0.00 C ATOM 52 CD1 ILE A 4 4.482 -0.404 -0.227 1.00 0.00 C ATOM 0 H ILE A 4 4.310 1.889 3.732 1.00 0.00 H new ATOM 0 HA ILE A 4 6.833 0.346 3.360 1.00 0.00 H new ATOM 0 HB ILE A 4 5.979 -0.821 1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.227 0.231 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.479 1.379 0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.818 -1.937 2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.958 -1.715 3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.569 -0.617 3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.829 0.024 -0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.521 -0.295 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.249 -1.462 -0.103 1.00 0.00 H new ATOM 63 N ASP A 5 7.418 2.005 1.537 1.00 0.00 N ATOM 64 CA ASP A 5 8.048 3.135 0.877 1.00 0.00 C ATOM 65 C ASP A 5 7.492 3.360 -0.530 1.00 0.00 C ATOM 66 O ASP A 5 7.720 4.423 -1.106 1.00 0.00 O ATOM 67 CB ASP A 5 9.551 2.841 0.788 1.00 0.00 C ATOM 68 CG ASP A 5 9.809 1.588 -0.045 1.00 0.00 C ATOM 69 OD1 ASP A 5 9.280 0.531 0.374 1.00 0.00 O ATOM 70 OD2 ASP A 5 10.479 1.716 -1.089 1.00 0.00 O ATOM 0 H ASP A 5 7.937 1.136 1.413 1.00 0.00 H new ATOM 0 HA ASP A 5 7.848 4.039 1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 5 10.067 3.692 0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.960 2.708 1.789 1.00 0.00 H new ATOM 74 N VAL A 6 6.827 2.362 -1.117 1.00 0.00 N ATOM 75 CA VAL A 6 6.665 2.347 -2.566 1.00 0.00 C ATOM 76 C VAL A 6 5.707 3.452 -3.016 1.00 0.00 C ATOM 77 O VAL A 6 4.645 3.659 -2.429 1.00 0.00 O ATOM 78 CB VAL A 6 6.274 0.952 -3.078 1.00 0.00 C ATOM 79 CG1 VAL A 6 6.104 0.945 -4.605 1.00 0.00 C ATOM 80 CG2 VAL A 6 7.363 -0.071 -2.717 1.00 0.00 C ATOM 0 H VAL A 6 6.404 1.575 -0.624 1.00 0.00 H new ATOM 0 HA VAL A 6 7.629 2.567 -3.025 1.00 0.00 H new ATOM 0 HB VAL A 6 5.328 0.688 -2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.827 -0.056 -4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.322 1.649 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.042 1.237 -5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.074 -1.055 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.307 0.225 -3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.482 -0.109 -1.634 1.00 0.00 H new ATOM 90 N LYS A 7 6.117 4.165 -4.068 1.00 0.00 N ATOM 91 CA LYS A 7 5.404 5.287 -4.651 1.00 0.00 C ATOM 92 C LYS A 7 3.957 4.941 -5.013 1.00 0.00 C ATOM 93 O LYS A 7 3.690 4.337 -6.051 1.00 0.00 O ATOM 94 CB LYS A 7 6.209 5.878 -5.821 1.00 0.00 C ATOM 95 CG LYS A 7 6.477 4.902 -6.978 1.00 0.00 C ATOM 96 CD LYS A 7 7.481 5.522 -7.954 1.00 0.00 C ATOM 97 CE LYS A 7 7.688 4.591 -9.158 1.00 0.00 C ATOM 98 NZ LYS A 7 8.676 5.132 -10.115 1.00 0.00 N ATOM 0 H LYS A 7 6.992 3.962 -4.551 1.00 0.00 H new ATOM 0 HA LYS A 7 5.316 6.067 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.674 6.744 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.164 6.239 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.866 3.961 -6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.546 4.672 -7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.119 6.493 -8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.432 5.694 -7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.021 3.614 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.736 4.440 -9.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.785 4.472 -10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.347 6.053 -10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.592 5.252 -9.637 1.00 0.00 H new ATOM 108 N CYS A 8 3.010 5.371 -4.180 1.00 0.00 N ATOM 109 CA CYS A 8 1.599 5.290 -4.529 1.00 0.00 C ATOM 110 C CYS A 8 1.326 6.143 -5.751 1.00 0.00 C ATOM 111 O CYS A 8 1.699 7.317 -5.779 1.00 0.00 O ATOM 112 CB CYS A 8 0.695 5.718 -3.392 1.00 0.00 C ATOM 113 SG CYS A 8 -0.472 7.086 -3.621 1.00 0.00 S ATOM 0 H CYS A 8 3.197 5.777 -3.263 1.00 0.00 H new ATOM 0 HA CYS A 8 1.376 4.245 -4.742 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.115 4.845 -3.094 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.336 5.978 -2.549 1.00 0.00 H new ATOM 117 N PHE A 9 0.629 5.548 -6.713 1.00 0.00 N ATOM 118 CA PHE A 9 -0.128 6.284 -7.711 1.00 0.00 C ATOM 119 C PHE A 9 -1.564 6.502 -7.213 1.00 0.00 C ATOM 120 O PHE A 9 -2.274 7.350 -7.743 1.00 0.00 O ATOM 121 CB PHE A 9 -0.089 5.524 -9.042 1.00 0.00 C ATOM 122 CG PHE A 9 -0.130 6.426 -10.258 1.00 0.00 C ATOM 123 CD1 PHE A 9 1.028 7.136 -10.628 1.00 0.00 C ATOM 124 CD2 PHE A 9 -1.315 6.587 -10.996 1.00 0.00 C ATOM 125 CE1 PHE A 9 1.007 7.988 -11.746 1.00 0.00 C ATOM 126 CE2 PHE A 9 -1.335 7.431 -12.123 1.00 0.00 C ATOM 127 CZ PHE A 9 -0.173 8.127 -12.499 1.00 0.00 C ATOM 0 H PHE A 9 0.575 4.535 -6.820 1.00 0.00 H new ATOM 0 HA PHE A 9 0.316 7.266 -7.874 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.817 4.920 -9.079 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.933 4.836 -9.082 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.935 7.026 -10.052 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.211 6.063 -10.699 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.895 8.535 -12.026 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.242 7.543 -12.698 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.186 8.769 -13.367 1.00 0.00 H new ATOM 136 N ALA A 10 -1.989 5.730 -6.199 1.00 0.00 N ATOM 137 CA ALA A 10 -3.332 5.710 -5.630 1.00 0.00 C ATOM 138 C ALA A 10 -3.385 4.567 -4.615 1.00 0.00 C ATOM 139 O ALA A 10 -2.625 3.609 -4.733 1.00 0.00 O ATOM 140 CB ALA A 10 -4.399 5.470 -6.709 1.00 0.00 C ATOM 0 H ALA A 10 -1.365 5.070 -5.734 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.539 6.674 -5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.387 5.461 -6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.352 6.267 -7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.217 4.511 -7.194 1.00 0.00 H new ATOM 146 N SER A 11 -4.297 4.634 -3.645 1.00 0.00 N ATOM 147 CA SER A 11 -4.537 3.574 -2.672 1.00 0.00 C ATOM 148 C SER A 11 -4.665 2.186 -3.299 1.00 0.00 C ATOM 149 O SER A 11 -4.197 1.207 -2.726 1.00 0.00 O ATOM 150 CB SER A 11 -5.802 3.926 -1.889 1.00 0.00 C ATOM 151 OG SER A 11 -5.496 4.997 -1.013 1.00 0.00 O ATOM 0 H SER A 11 -4.901 5.445 -3.513 1.00 0.00 H new ATOM 0 HA SER A 11 -3.669 3.517 -2.015 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.604 4.209 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.153 3.062 -1.325 1.00 0.00 H new ATOM 0 HG SER A 11 -6.296 5.240 -0.502 1.00 0.00 H new ATOM 156 N SER A 12 -5.306 2.081 -4.462 1.00 0.00 N ATOM 157 CA SER A 12 -5.492 0.804 -5.124 1.00 0.00 C ATOM 158 C SER A 12 -4.156 0.141 -5.479 1.00 0.00 C ATOM 159 O SER A 12 -4.065 -1.082 -5.512 1.00 0.00 O ATOM 160 CB SER A 12 -6.389 1.028 -6.343 1.00 0.00 C ATOM 161 OG SER A 12 -6.036 2.252 -6.968 1.00 0.00 O ATOM 0 H SER A 12 -5.705 2.875 -4.963 1.00 0.00 H new ATOM 0 HA SER A 12 -5.980 0.102 -4.448 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.279 0.203 -7.046 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.436 1.050 -6.039 1.00 0.00 H new ATOM 0 HG SER A 12 -6.608 2.397 -7.750 1.00 0.00 H new ATOM 166 N GLU A 13 -3.110 0.932 -5.711 1.00 0.00 N ATOM 167 CA GLU A 13 -1.759 0.426 -5.928 1.00 0.00 C ATOM 168 C GLU A 13 -1.348 -0.453 -4.744 1.00 0.00 C ATOM 169 O GLU A 13 -0.971 -1.606 -4.915 1.00 0.00 O ATOM 170 CB GLU A 13 -0.835 1.636 -5.981 1.00 0.00 C ATOM 171 CG GLU A 13 0.559 1.369 -6.571 1.00 0.00 C ATOM 172 CD GLU A 13 1.428 0.469 -5.704 1.00 0.00 C ATOM 173 OE1 GLU A 13 1.476 0.742 -4.486 1.00 0.00 O ATOM 174 OE2 GLU A 13 2.015 -0.476 -6.268 1.00 0.00 O ATOM 0 H GLU A 13 -3.178 1.949 -5.754 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.706 -0.160 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.318 2.416 -6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.716 2.027 -4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.446 0.912 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.070 2.321 -6.718 1.00 0.00 H new ATOM 179 N CYS A 14 -1.478 0.107 -3.538 1.00 0.00 N ATOM 180 CA CYS A 14 -1.102 -0.449 -2.262 1.00 0.00 C ATOM 181 C CYS A 14 -1.778 -1.777 -2.069 1.00 0.00 C ATOM 182 O CYS A 14 -1.303 -2.616 -1.313 1.00 0.00 O ATOM 183 CB CYS A 14 -1.626 0.424 -1.131 1.00 0.00 C ATOM 184 SG CYS A 14 -1.394 2.182 -1.231 1.00 0.00 S ATOM 0 H CYS A 14 -1.884 1.037 -3.435 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.015 -0.527 -2.248 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.696 0.237 -1.038 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.161 0.082 -0.207 1.00 0.00 H new ATOM 188 N TRP A 15 -2.938 -1.916 -2.701 1.00 0.00 N ATOM 189 CA TRP A 15 -3.681 -3.154 -2.593 1.00 0.00 C ATOM 190 C TRP A 15 -2.861 -4.227 -3.287 1.00 0.00 C ATOM 191 O TRP A 15 -2.317 -5.116 -2.637 1.00 0.00 O ATOM 192 CB TRP A 15 -5.093 -3.032 -3.169 1.00 0.00 C ATOM 193 CG TRP A 15 -6.027 -2.053 -2.540 1.00 0.00 C ATOM 194 CD1 TRP A 15 -5.739 -1.215 -1.527 1.00 0.00 C ATOM 195 CD2 TRP A 15 -7.418 -1.796 -2.886 1.00 0.00 C ATOM 196 NE1 TRP A 15 -6.844 -0.449 -1.233 1.00 0.00 N ATOM 197 CE2 TRP A 15 -7.913 -0.759 -2.045 1.00 0.00 C ATOM 198 CE3 TRP A 15 -8.308 -2.337 -3.831 1.00 0.00 C ATOM 199 CZ2 TRP A 15 -9.227 -0.277 -2.139 1.00 0.00 C ATOM 200 CZ3 TRP A 15 -9.624 -1.849 -3.954 1.00 0.00 C ATOM 201 CH2 TRP A 15 -10.086 -0.825 -3.105 1.00 0.00 C ATOM 0 H TRP A 15 -3.373 -1.199 -3.281 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.831 -3.417 -1.546 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -5.001 -2.775 -4.224 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -5.559 -4.016 -3.120 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.786 -1.153 -1.022 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -6.869 0.262 -0.502 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -7.977 -3.140 -4.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.573 0.504 -1.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -10.282 -2.263 -4.704 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -11.099 -0.462 -3.197 1.00 0.00 H new ATOM 211 N THR A 16 -2.713 -4.103 -4.606 1.00 0.00 N ATOM 212 CA THR A 16 -1.861 -4.974 -5.387 1.00 0.00 C ATOM 213 C THR A 16 -0.458 -5.067 -4.776 1.00 0.00 C ATOM 214 O THR A 16 0.132 -6.142 -4.831 1.00 0.00 O ATOM 215 CB THR A 16 -1.856 -4.484 -6.842 1.00 0.00 C ATOM 216 OG1 THR A 16 -2.060 -3.086 -6.903 1.00 0.00 O ATOM 217 CG2 THR A 16 -3.010 -5.127 -7.619 1.00 0.00 C ATOM 0 H THR A 16 -3.187 -3.388 -5.158 1.00 0.00 H new ATOM 0 HA THR A 16 -2.251 -5.992 -5.376 1.00 0.00 H new ATOM 0 HB THR A 16 -0.890 -4.752 -7.269 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.534 -2.648 -6.202 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.997 -4.772 -8.650 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.897 -6.211 -7.607 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.958 -4.855 -7.154 1.00 0.00 H new ATOM 225 N ALA A 17 0.074 -4.008 -4.155 1.00 0.00 N ATOM 226 CA ALA A 17 1.386 -4.079 -3.527 1.00 0.00 C ATOM 227 C ALA A 17 1.390 -5.048 -2.342 1.00 0.00 C ATOM 228 O ALA A 17 2.148 -6.019 -2.338 1.00 0.00 O ATOM 229 CB ALA A 17 1.879 -2.688 -3.129 1.00 0.00 C ATOM 0 H ALA A 17 -0.385 -3.100 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 17 2.087 -4.476 -4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.861 -2.770 -2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.950 -2.059 -4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.178 -2.242 -2.424 1.00 0.00 H new ATOM 235 N CYS A 18 0.546 -4.816 -1.331 1.00 0.00 N ATOM 236 CA CYS A 18 0.496 -5.694 -0.169 1.00 0.00 C ATOM 237 C CYS A 18 0.113 -7.107 -0.574 1.00 0.00 C ATOM 238 O CYS A 18 0.516 -8.078 0.063 1.00 0.00 O ATOM 239 CB CYS A 18 -0.419 -5.202 0.966 1.00 0.00 C ATOM 240 SG CYS A 18 0.603 -4.821 2.419 1.00 0.00 S ATOM 0 H CYS A 18 -0.106 -4.032 -1.298 1.00 0.00 H new ATOM 0 HA CYS A 18 1.507 -5.684 0.237 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.970 -4.316 0.649 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.157 -5.965 1.213 1.00 0.00 H new ATOM 244 N LYS A 19 -0.678 -7.232 -1.638 1.00 0.00 N ATOM 245 CA LYS A 19 -1.005 -8.518 -2.202 1.00 0.00 C ATOM 246 C LYS A 19 0.218 -9.208 -2.799 1.00 0.00 C ATOM 247 O LYS A 19 0.480 -10.371 -2.518 1.00 0.00 O ATOM 248 CB LYS A 19 -2.126 -8.301 -3.205 1.00 0.00 C ATOM 249 CG LYS A 19 -3.395 -8.103 -2.412 1.00 0.00 C ATOM 250 CD LYS A 19 -4.651 -8.869 -2.828 1.00 0.00 C ATOM 251 CE LYS A 19 -4.420 -10.368 -3.085 1.00 0.00 C ATOM 252 NZ LYS A 19 -5.676 -11.143 -3.004 1.00 0.00 N ATOM 0 H LYS A 19 -1.103 -6.442 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.347 -9.203 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.922 -7.431 -3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.218 -9.158 -3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.180 -8.361 -1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.635 -7.040 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.405 -8.758 -2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.057 -8.415 -3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.974 -10.502 -4.070 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.707 -10.755 -2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.476 -12.148 -3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.089 -11.036 -2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.347 -10.791 -3.716 1.00 0.00 H new ATOM 262 N LYS A 20 0.964 -8.468 -3.609 1.00 0.00 N ATOM 263 CA LYS A 20 2.193 -8.922 -4.239 1.00 0.00 C ATOM 264 C LYS A 20 3.233 -9.313 -3.183 1.00 0.00 C ATOM 265 O LYS A 20 3.989 -10.257 -3.397 1.00 0.00 O ATOM 266 CB LYS A 20 2.675 -7.846 -5.230 1.00 0.00 C ATOM 267 CG LYS A 20 4.125 -7.999 -5.715 1.00 0.00 C ATOM 268 CD LYS A 20 5.047 -7.133 -4.842 1.00 0.00 C ATOM 269 CE LYS A 20 6.526 -7.359 -5.182 1.00 0.00 C ATOM 270 NZ LYS A 20 7.415 -6.549 -4.325 1.00 0.00 N ATOM 0 H LYS A 20 0.722 -7.507 -3.852 1.00 0.00 H new ATOM 0 HA LYS A 20 2.017 -9.831 -4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.016 -7.855 -6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.568 -6.869 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.430 -9.044 -5.661 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.205 -7.697 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.798 -6.081 -4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.876 -7.364 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.769 -8.415 -5.063 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.701 -7.108 -6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.406 -6.729 -4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.200 -5.540 -4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.266 -6.807 -3.329 1.00 0.00 H new ATOM 280 N VAL A 21 3.318 -8.586 -2.065 1.00 0.00 N ATOM 281 CA VAL A 21 4.213 -8.874 -0.990 1.00 0.00 C ATOM 282 C VAL A 21 3.709 -10.114 -0.260 1.00 0.00 C ATOM 283 O VAL A 21 4.424 -11.109 -0.175 1.00 0.00 O ATOM 284 CB VAL A 21 4.169 -7.619 -0.121 1.00 0.00 C ATOM 285 CG1 VAL A 21 4.756 -7.858 1.239 1.00 0.00 C ATOM 286 CG2 VAL A 21 4.920 -6.459 -0.771 1.00 0.00 C ATOM 0 H VAL A 21 2.741 -7.762 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 21 5.236 -9.092 -1.296 1.00 0.00 H new ATOM 0 HB VAL A 21 3.114 -7.363 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.705 -6.940 1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.194 -8.643 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.797 -8.165 1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.867 -5.583 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.963 -6.738 -0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.466 -6.226 -1.734 1.00 0.00 H new ATOM 296 N THR A 22 2.503 -10.023 0.313 1.00 0.00 N ATOM 297 CA THR A 22 2.022 -10.930 1.310 1.00 0.00 C ATOM 298 C THR A 22 0.715 -11.597 0.852 1.00 0.00 C ATOM 299 O THR A 22 0.571 -12.810 0.972 1.00 0.00 O ATOM 300 CB THR A 22 1.893 -10.137 2.622 1.00 0.00 C ATOM 301 OG1 THR A 22 3.129 -10.108 3.307 1.00 0.00 O ATOM 302 CG2 THR A 22 0.840 -10.712 3.544 1.00 0.00 C ATOM 0 H THR A 22 1.833 -9.291 0.076 1.00 0.00 H new ATOM 0 HA THR A 22 2.713 -11.757 1.474 1.00 0.00 H new ATOM 0 HB THR A 22 1.590 -9.128 2.344 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.030 -9.598 4.138 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.789 -10.116 4.455 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.129 -10.695 3.045 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.100 -11.740 3.797 1.00 0.00 H new ATOM 310 N GLY A 23 -0.258 -10.798 0.393 1.00 0.00 N ATOM 311 CA GLY A 23 -1.622 -11.249 0.115 1.00 0.00 C ATOM 312 C GLY A 23 -2.679 -10.288 0.680 1.00 0.00 C ATOM 313 O GLY A 23 -3.827 -10.272 0.231 1.00 0.00 O ATOM 0 H GLY A 23 -0.114 -9.806 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.759 -11.344 -0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.769 -12.240 0.543 1.00 0.00 H new ATOM 317 N SER A 24 -2.292 -9.472 1.664 1.00 0.00 N ATOM 318 CA SER A 24 -3.189 -8.724 2.538 1.00 0.00 C ATOM 319 C SER A 24 -3.646 -7.429 1.876 1.00 0.00 C ATOM 320 O SER A 24 -3.358 -6.337 2.357 1.00 0.00 O ATOM 321 CB SER A 24 -2.466 -8.448 3.862 1.00 0.00 C ATOM 322 OG SER A 24 -2.033 -9.671 4.423 1.00 0.00 O ATOM 0 H SER A 24 -1.308 -9.311 1.879 1.00 0.00 H new ATOM 0 HA SER A 24 -4.086 -9.313 2.732 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.613 -7.790 3.693 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.133 -7.934 4.554 1.00 0.00 H new ATOM 0 HG SER A 24 -1.569 -9.497 5.269 1.00 0.00 H new ATOM 327 N GLY A 25 -4.364 -7.546 0.762 1.00 0.00 N ATOM 328 CA GLY A 25 -4.566 -6.449 -0.177 1.00 0.00 C ATOM 329 C GLY A 25 -5.382 -5.254 0.338 1.00 0.00 C ATOM 330 O GLY A 25 -5.677 -4.349 -0.433 1.00 0.00 O ATOM 0 H GLY A 25 -4.825 -8.412 0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.588 -6.085 -0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.061 -6.845 -1.064 1.00 0.00 H new ATOM 334 N GLN A 26 -5.836 -5.257 1.592 1.00 0.00 N ATOM 335 CA GLN A 26 -6.728 -4.237 2.115 1.00 0.00 C ATOM 336 C GLN A 26 -5.880 -3.106 2.695 1.00 0.00 C ATOM 337 O GLN A 26 -5.279 -3.271 3.758 1.00 0.00 O ATOM 338 CB GLN A 26 -7.640 -4.859 3.175 1.00 0.00 C ATOM 339 CG GLN A 26 -8.358 -6.110 2.647 1.00 0.00 C ATOM 340 CD GLN A 26 -9.310 -6.707 3.678 1.00 0.00 C ATOM 341 OE1 GLN A 26 -9.223 -6.420 4.868 1.00 0.00 O ATOM 342 NE2 GLN A 26 -10.230 -7.558 3.236 1.00 0.00 N ATOM 0 H GLN A 26 -5.590 -5.975 2.273 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.362 -3.829 1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.050 -5.122 4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.379 -4.124 3.496 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.915 -5.854 1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.618 -6.858 2.362 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.283 -7.781 2.242 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.883 -7.988 3.891 1.00 0.00 H new ATOM 349 N GLY A 27 -5.797 -1.972 1.999 1.00 0.00 N ATOM 350 CA GLY A 27 -4.878 -0.910 2.374 1.00 0.00 C ATOM 351 C GLY A 27 -5.280 0.441 1.807 1.00 0.00 C ATOM 352 O GLY A 27 -6.350 0.576 1.214 1.00 0.00 O ATOM 0 H GLY A 27 -6.358 -1.770 1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.830 -0.844 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.876 -1.162 2.026 1.00 0.00 H new ATOM 356 N LYS A 28 -4.427 1.449 1.998 1.00 0.00 N ATOM 357 CA LYS A 28 -4.566 2.772 1.417 1.00 0.00 C ATOM 358 C LYS A 28 -3.174 3.363 1.248 1.00 0.00 C ATOM 359 O LYS A 28 -2.242 2.958 1.952 1.00 0.00 O ATOM 360 CB LYS A 28 -5.436 3.696 2.289 1.00 0.00 C ATOM 361 CG LYS A 28 -6.892 3.227 2.395 1.00 0.00 C ATOM 362 CD LYS A 28 -7.771 4.287 3.069 1.00 0.00 C ATOM 363 CE LYS A 28 -9.225 3.793 3.139 1.00 0.00 C ATOM 364 NZ LYS A 28 -10.122 4.771 3.793 1.00 0.00 N ATOM 0 H LYS A 28 -3.596 1.357 2.582 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.068 2.685 0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.005 3.754 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.414 4.704 1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.280 3.009 1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.937 2.299 2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.400 4.495 4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.722 5.222 2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.586 3.591 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.260 2.850 3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.090 4.393 3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.795 4.946 4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.112 5.663 3.259 1.00 0.00 H new ATOM 374 N CYS A 29 -3.030 4.296 0.302 1.00 0.00 N ATOM 375 CA CYS A 29 -1.761 4.969 0.104 1.00 0.00 C ATOM 376 C CYS A 29 -1.710 6.180 1.024 1.00 0.00 C ATOM 377 O CYS A 29 -2.742 6.658 1.491 1.00 0.00 O ATOM 378 CB CYS A 29 -1.494 5.374 -1.353 1.00 0.00 C ATOM 379 SG CYS A 29 -1.484 7.126 -1.796 1.00 0.00 S ATOM 0 H CYS A 29 -3.774 4.594 -0.329 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.969 4.262 0.350 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.527 4.959 -1.636 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.245 4.884 -1.972 1.00 0.00 H new ATOM 383 N GLN A 30 -0.504 6.680 1.266 1.00 0.00 N ATOM 384 CA GLN A 30 -0.277 7.929 1.954 1.00 0.00 C ATOM 385 C GLN A 30 0.802 8.637 1.148 1.00 0.00 C ATOM 386 O GLN A 30 1.846 8.044 0.911 1.00 0.00 O ATOM 387 CB GLN A 30 0.229 7.626 3.368 1.00 0.00 C ATOM 388 CG GLN A 30 0.085 8.837 4.298 1.00 0.00 C ATOM 389 CD GLN A 30 0.414 8.522 5.760 1.00 0.00 C ATOM 390 OE1 GLN A 30 0.536 7.367 6.173 1.00 0.00 O ATOM 391 NE2 GLN A 30 0.548 9.562 6.575 1.00 0.00 N ATOM 0 H GLN A 30 0.356 6.213 0.980 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.177 8.538 2.039 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.327 6.784 3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.276 7.325 3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.741 9.634 3.949 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.936 9.214 4.236 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.443 10.510 6.214 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.756 9.413 7.562 1.00 0.00 H new ATOM 398 N ASN A 31 0.585 9.887 0.745 1.00 0.00 N ATOM 399 CA ASN A 31 1.644 10.715 0.194 1.00 0.00 C ATOM 400 C ASN A 31 2.087 10.182 -1.181 1.00 0.00 C ATOM 401 O ASN A 31 1.503 10.551 -2.197 1.00 0.00 O ATOM 402 CB ASN A 31 2.766 10.834 1.250 1.00 0.00 C ATOM 403 CG ASN A 31 3.804 11.868 0.835 1.00 0.00 C ATOM 404 OD1 ASN A 31 4.859 11.516 0.312 1.00 0.00 O ATOM 405 ND2 ASN A 31 3.517 13.147 1.047 1.00 0.00 N ATOM 0 H ASN A 31 -0.324 10.347 0.792 1.00 0.00 H new ATOM 0 HA ASN A 31 1.300 11.729 -0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.336 11.112 2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.247 9.865 1.384 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.181 13.871 0.773 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.632 13.406 1.483 1.00 0.00 H new ATOM 411 N ASN A 32 3.066 9.277 -1.187 1.00 0.00 N ATOM 412 CA ASN A 32 3.510 8.377 -2.249 1.00 0.00 C ATOM 413 C ASN A 32 4.307 7.298 -1.513 1.00 0.00 C ATOM 414 O ASN A 32 5.495 7.104 -1.744 1.00 0.00 O ATOM 415 CB ASN A 32 4.385 9.065 -3.309 1.00 0.00 C ATOM 416 CG ASN A 32 3.706 10.156 -4.068 1.00 0.00 C ATOM 417 OD1 ASN A 32 4.046 11.333 -3.973 1.00 0.00 O ATOM 418 ND2 ASN A 32 2.666 9.780 -4.753 1.00 0.00 N ATOM 0 H ASN A 32 3.632 9.143 -0.349 1.00 0.00 H new ATOM 0 HA ASN A 32 2.659 7.989 -2.810 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.268 9.477 -2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 32 4.734 8.312 -4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.097 10.474 -5.238 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.420 8.792 -4.805 1.00 0.00 H new ATOM 424 N GLN A 33 3.643 6.687 -0.541 1.00 0.00 N ATOM 425 CA GLN A 33 4.024 5.591 0.320 1.00 0.00 C ATOM 426 C GLN A 33 2.701 4.849 0.530 1.00 0.00 C ATOM 427 O GLN A 33 1.662 5.327 0.063 1.00 0.00 O ATOM 428 CB GLN A 33 4.539 6.134 1.662 1.00 0.00 C ATOM 429 CG GLN A 33 5.903 6.832 1.576 1.00 0.00 C ATOM 430 CD GLN A 33 5.762 8.349 1.493 1.00 0.00 C ATOM 431 OE1 GLN A 33 5.453 8.998 2.489 1.00 0.00 O ATOM 432 NE2 GLN A 33 5.965 8.933 0.319 1.00 0.00 N ATOM 0 H GLN A 33 2.698 6.996 -0.314 1.00 0.00 H new ATOM 0 HA GLN A 33 4.815 4.965 -0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.808 6.837 2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.609 5.310 2.372 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.500 6.570 2.449 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.442 6.469 0.701 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.221 8.371 -0.493 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.865 9.944 0.228 1.00 0.00 H new ATOM 439 N CYS A 34 2.678 3.705 1.216 1.00 0.00 N ATOM 440 CA CYS A 34 1.471 2.898 1.196 1.00 0.00 C ATOM 441 C CYS A 34 1.407 1.996 2.410 1.00 0.00 C ATOM 442 O CYS A 34 2.424 1.762 3.061 1.00 0.00 O ATOM 443 CB CYS A 34 1.475 2.063 -0.090 1.00 0.00 C ATOM 444 SG CYS A 34 0.602 2.462 -1.616 1.00 0.00 S ATOM 0 H CYS A 34 3.450 3.333 1.769 1.00 0.00 H new ATOM 0 HA CYS A 34 0.594 3.545 1.221 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.523 1.958 -0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.122 1.073 0.201 1.00 0.00 H new ATOM 448 N ARG A 35 0.191 1.560 2.754 1.00 0.00 N ATOM 449 CA ARG A 35 -0.089 0.851 3.993 1.00 0.00 C ATOM 450 C ARG A 35 -1.148 -0.195 3.727 1.00 0.00 C ATOM 451 O ARG A 35 -2.063 0.050 2.942 1.00 0.00 O ATOM 452 CB ARG A 35 -0.608 1.831 5.056 1.00 0.00 C ATOM 453 CG ARG A 35 0.492 2.850 5.315 1.00 0.00 C ATOM 454 CD ARG A 35 0.152 4.011 6.236 1.00 0.00 C ATOM 455 NE ARG A 35 0.567 3.632 7.571 1.00 0.00 N ATOM 456 CZ ARG A 35 0.966 4.466 8.545 1.00 0.00 C ATOM 457 NH1 ARG A 35 0.974 5.792 8.351 1.00 0.00 N ATOM 458 NH2 ARG A 35 1.371 3.961 9.713 1.00 0.00 N ATOM 0 H ARG A 35 -0.633 1.695 2.168 1.00 0.00 H new ATOM 0 HA ARG A 35 0.826 0.382 4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.516 2.326 4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.864 1.301 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.349 2.324 5.735 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.808 3.260 4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.664 4.919 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.917 4.222 6.211 1.00 0.00 H new ATOM 0 HE ARG A 35 0.555 2.636 7.792 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.675 6.178 7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.279 6.415 9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.375 2.951 9.858 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.676 4.585 10.460 1.00 0.00 H new ATOM 469 N CYS A 36 -1.037 -1.327 4.418 1.00 0.00 N ATOM 470 CA CYS A 36 -2.100 -2.332 4.425 1.00 0.00 C ATOM 471 C CYS A 36 -2.392 -2.794 5.838 1.00 0.00 C ATOM 472 O CYS A 36 -1.546 -2.697 6.717 1.00 0.00 O ATOM 473 CB CYS A 36 -1.833 -3.482 3.468 1.00 0.00 C ATOM 474 SG CYS A 36 -0.706 -4.764 4.021 1.00 0.00 S ATOM 0 H CYS A 36 -0.222 -1.572 4.981 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.004 -1.855 4.045 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.787 -3.951 3.229 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.442 -3.065 2.540 1.00 0.00 H new ATOM 478 N TYR A 37 -3.626 -3.211 6.082 1.00 0.00 N ATOM 479 CA TYR A 37 -4.118 -3.552 7.401 1.00 0.00 C ATOM 480 C TYR A 37 -3.302 -4.673 8.055 1.00 0.00 C ATOM 481 O TYR A 37 -2.661 -5.473 7.374 1.00 0.00 O ATOM 482 CB TYR A 37 -5.609 -3.883 7.289 1.00 0.00 C ATOM 483 CG TYR A 37 -5.947 -5.342 7.036 1.00 0.00 C ATOM 484 CD1 TYR A 37 -5.451 -6.001 5.893 1.00 0.00 C ATOM 485 CD2 TYR A 37 -6.774 -6.040 7.935 1.00 0.00 C ATOM 486 CE1 TYR A 37 -5.842 -7.321 5.614 1.00 0.00 C ATOM 487 CE2 TYR A 37 -7.125 -7.376 7.681 1.00 0.00 C ATOM 488 CZ TYR A 37 -6.682 -8.006 6.505 1.00 0.00 C ATOM 489 OH TYR A 37 -7.030 -9.298 6.241 1.00 0.00 O ATOM 0 H TYR A 37 -4.326 -3.323 5.349 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.996 -2.699 8.069 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.101 -3.570 8.210 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.034 -3.286 6.482 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.769 -5.490 5.230 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.140 -5.547 8.823 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.496 -7.808 4.714 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.735 -7.919 8.388 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.615 -9.631 6.953 1.00 0.00 H new