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 Set 1.1: A 31 ASN : amide:sc= 1.11 K(o=3.4,f=1.3) USER MOD Set 1.2: A 33 GLN : amide:sc= 2.28 K(o=3.4,f=-3.7!) USER MOD Set 2.1: A 22 THR OG1 : rot -51:sc= 1.72 USER MOD Set 2.2: A 24 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 16 THR OG1 : rot -81:sc= 2.12 USER MOD Set 3.2: A 20 LYS NZ :NH3+ -147:sc= 1.32 (180deg=-1.67!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0887 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0304 USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= -0.0173 (180deg=-0.721) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.323 K(o=-0.32,f=-4!) USER MOD Single : A 32 ASN : amide:sc= 0.426 K(o=0.43,f=-0.36) USER MOD Single : A 37 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 3 3.489 -0.442 6.803 1.00 0.00 N ATOM 28 CA LEU A 3 3.878 0.875 6.332 1.00 0.00 C ATOM 29 C LEU A 3 5.119 0.762 5.460 1.00 0.00 C ATOM 30 O LEU A 3 6.068 0.071 5.826 1.00 0.00 O ATOM 31 CB LEU A 3 4.012 1.882 7.486 1.00 0.00 C ATOM 32 CG LEU A 3 5.202 1.649 8.427 1.00 0.00 C ATOM 33 CD1 LEU A 3 5.431 2.910 9.270 1.00 0.00 C ATOM 34 CD2 LEU A 3 5.006 0.454 9.373 1.00 0.00 C ATOM 0 HA LEU A 3 3.085 1.283 5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.095 2.884 7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.095 1.859 8.075 1.00 0.00 H new ATOM 0 HG LEU A 3 6.063 1.425 7.797 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.275 2.751 9.941 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.644 3.753 8.613 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.537 3.123 9.856 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.884 0.346 10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.126 0.622 9.994 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.869 -0.455 8.787 1.00 0.00 H new ATOM 45 N ILE A 4 5.043 1.316 4.248 1.00 0.00 N ATOM 46 CA ILE A 4 5.884 0.956 3.146 1.00 0.00 C ATOM 47 C ILE A 4 6.130 2.242 2.348 1.00 0.00 C ATOM 48 O ILE A 4 5.315 3.171 2.411 1.00 0.00 O ATOM 49 CB ILE A 4 5.116 -0.141 2.373 1.00 0.00 C ATOM 50 CG1 ILE A 4 4.182 0.399 1.290 1.00 0.00 C ATOM 51 CG2 ILE A 4 4.252 -1.054 3.282 1.00 0.00 C ATOM 52 CD1 ILE A 4 4.438 -0.294 -0.031 1.00 0.00 C ATOM 0 H ILE A 4 4.369 2.047 4.018 1.00 0.00 H new ATOM 0 HA ILE A 4 6.861 0.553 3.412 1.00 0.00 H new ATOM 0 HB ILE A 4 5.925 -0.712 1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.145 0.250 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.330 1.473 1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.743 -1.799 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.892 -1.556 4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.513 -0.449 3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.763 0.105 -0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.470 -0.122 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.266 -1.365 0.080 1.00 0.00 H new ATOM 63 N ASP A 5 7.201 2.270 1.553 1.00 0.00 N ATOM 64 CA ASP A 5 7.622 3.467 0.820 1.00 0.00 C ATOM 65 C ASP A 5 7.714 3.201 -0.682 1.00 0.00 C ATOM 66 O ASP A 5 8.614 3.675 -1.371 1.00 0.00 O ATOM 67 CB ASP A 5 8.908 4.046 1.435 1.00 0.00 C ATOM 68 CG ASP A 5 8.617 5.220 2.366 1.00 0.00 C ATOM 69 OD1 ASP A 5 8.155 4.950 3.495 1.00 0.00 O ATOM 70 OD2 ASP A 5 8.814 6.374 1.921 1.00 0.00 O ATOM 0 H ASP A 5 7.803 1.461 1.398 1.00 0.00 H new ATOM 0 HA ASP A 5 6.858 4.238 0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 5 9.429 3.265 1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.576 4.372 0.638 1.00 0.00 H new ATOM 74 N VAL A 6 6.731 2.467 -1.203 1.00 0.00 N ATOM 75 CA VAL A 6 6.536 2.376 -2.647 1.00 0.00 C ATOM 76 C VAL A 6 5.644 3.536 -3.099 1.00 0.00 C ATOM 77 O VAL A 6 4.581 3.771 -2.531 1.00 0.00 O ATOM 78 CB VAL A 6 5.988 0.998 -3.055 1.00 0.00 C ATOM 79 CG1 VAL A 6 5.696 0.937 -4.560 1.00 0.00 C ATOM 80 CG2 VAL A 6 7.016 -0.093 -2.722 1.00 0.00 C ATOM 0 H VAL A 6 6.062 1.931 -0.650 1.00 0.00 H new ATOM 0 HA VAL A 6 7.495 2.467 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 6 5.062 0.837 -2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.310 -0.050 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.956 1.694 -4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.614 1.123 -5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.621 -1.066 -3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.941 0.101 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.217 -0.089 -1.651 1.00 0.00 H new ATOM 90 N LYS A 7 6.111 4.257 -4.125 1.00 0.00 N ATOM 91 CA LYS A 7 5.451 5.394 -4.747 1.00 0.00 C ATOM 92 C LYS A 7 3.985 5.122 -5.112 1.00 0.00 C ATOM 93 O LYS A 7 3.687 4.524 -6.145 1.00 0.00 O ATOM 94 CB LYS A 7 6.281 5.908 -5.935 1.00 0.00 C ATOM 95 CG LYS A 7 6.697 4.832 -6.953 1.00 0.00 C ATOM 96 CD LYS A 7 7.487 5.489 -8.091 1.00 0.00 C ATOM 97 CE LYS A 7 7.999 4.427 -9.077 1.00 0.00 C ATOM 98 NZ LYS A 7 8.778 5.024 -10.183 1.00 0.00 N ATOM 0 H LYS A 7 7.008 4.046 -4.562 1.00 0.00 H new ATOM 0 HA LYS A 7 5.402 6.190 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.707 6.675 -6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.180 6.389 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.305 4.070 -6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.815 4.330 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.853 6.204 -8.615 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.328 6.048 -7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.620 3.708 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.153 3.875 -9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.104 4.272 -10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.179 5.692 -10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.601 5.529 -9.795 1.00 0.00 H new ATOM 108 N CYS A 8 3.063 5.620 -4.286 1.00 0.00 N ATOM 109 CA CYS A 8 1.638 5.626 -4.597 1.00 0.00 C ATOM 110 C CYS A 8 1.352 6.544 -5.768 1.00 0.00 C ATOM 111 O CYS A 8 1.672 7.731 -5.721 1.00 0.00 O ATOM 112 CB CYS A 8 0.823 6.064 -3.401 1.00 0.00 C ATOM 113 SG CYS A 8 -0.716 6.970 -3.715 1.00 0.00 S ATOM 0 H CYS A 8 3.288 6.031 -3.380 1.00 0.00 H new ATOM 0 HA CYS A 8 1.353 4.608 -4.861 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.576 5.175 -2.820 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.458 6.689 -2.773 1.00 0.00 H new ATOM 117 N PHE A 9 0.667 5.972 -6.757 1.00 0.00 N ATOM 118 CA PHE A 9 -0.183 6.692 -7.689 1.00 0.00 C ATOM 119 C PHE A 9 -1.644 6.621 -7.228 1.00 0.00 C ATOM 120 O PHE A 9 -2.476 7.347 -7.764 1.00 0.00 O ATOM 121 CB PHE A 9 -0.039 6.083 -9.091 1.00 0.00 C ATOM 122 CG PHE A 9 1.340 6.241 -9.700 1.00 0.00 C ATOM 123 CD1 PHE A 9 2.373 5.341 -9.370 1.00 0.00 C ATOM 124 CD2 PHE A 9 1.595 7.294 -10.598 1.00 0.00 C ATOM 125 CE1 PHE A 9 3.642 5.481 -9.954 1.00 0.00 C ATOM 126 CE2 PHE A 9 2.863 7.429 -11.188 1.00 0.00 C ATOM 127 CZ PHE A 9 3.888 6.520 -10.870 1.00 0.00 C ATOM 0 H PHE A 9 0.692 4.967 -6.932 1.00 0.00 H new ATOM 0 HA PHE A 9 0.122 7.738 -7.721 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.282 5.022 -9.040 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.771 6.546 -9.753 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.188 4.542 -8.667 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.813 8.001 -10.834 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.431 4.789 -9.699 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.051 8.231 -11.886 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.861 6.619 -11.328 1.00 0.00 H new ATOM 136 N ALA A 10 -1.965 5.750 -6.257 1.00 0.00 N ATOM 137 CA ALA A 10 -3.318 5.536 -5.753 1.00 0.00 C ATOM 138 C ALA A 10 -3.274 4.524 -4.607 1.00 0.00 C ATOM 139 O ALA A 10 -2.401 3.656 -4.575 1.00 0.00 O ATOM 140 CB ALA A 10 -4.245 5.012 -6.859 1.00 0.00 C ATOM 0 H ALA A 10 -1.269 5.165 -5.794 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.710 6.490 -5.400 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.246 4.862 -6.454 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.287 5.737 -7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.861 4.065 -7.237 1.00 0.00 H new ATOM 146 N SER A 11 -4.243 4.599 -3.694 1.00 0.00 N ATOM 147 CA SER A 11 -4.478 3.628 -2.634 1.00 0.00 C ATOM 148 C SER A 11 -4.632 2.220 -3.200 1.00 0.00 C ATOM 149 O SER A 11 -4.122 1.258 -2.630 1.00 0.00 O ATOM 150 CB SER A 11 -5.768 4.046 -1.922 1.00 0.00 C ATOM 151 OG SER A 11 -6.666 4.592 -2.876 1.00 0.00 O ATOM 0 H SER A 11 -4.910 5.370 -3.675 1.00 0.00 H new ATOM 0 HA SER A 11 -3.631 3.610 -1.948 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.221 3.186 -1.428 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.549 4.781 -1.147 1.00 0.00 H new ATOM 0 HG SER A 11 -7.495 4.861 -2.428 1.00 0.00 H new ATOM 156 N SER A 12 -5.344 2.103 -4.315 1.00 0.00 N ATOM 157 CA SER A 12 -5.599 0.827 -4.945 1.00 0.00 C ATOM 158 C SER A 12 -4.305 0.111 -5.338 1.00 0.00 C ATOM 159 O SER A 12 -4.288 -1.113 -5.420 1.00 0.00 O ATOM 160 CB SER A 12 -6.530 1.053 -6.141 1.00 0.00 C ATOM 161 OG SER A 12 -6.148 2.230 -6.829 1.00 0.00 O ATOM 0 H SER A 12 -5.759 2.897 -4.803 1.00 0.00 H new ATOM 0 HA SER A 12 -6.089 0.162 -4.234 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.487 0.197 -6.814 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.562 1.139 -5.800 1.00 0.00 H new ATOM 0 HG SER A 12 -6.744 2.370 -7.594 1.00 0.00 H new ATOM 166 N GLU A 13 -3.213 0.848 -5.557 1.00 0.00 N ATOM 167 CA GLU A 13 -1.910 0.251 -5.801 1.00 0.00 C ATOM 168 C GLU A 13 -1.513 -0.599 -4.594 1.00 0.00 C ATOM 169 O GLU A 13 -1.285 -1.794 -4.720 1.00 0.00 O ATOM 170 CB GLU A 13 -0.885 1.364 -5.963 1.00 0.00 C ATOM 171 CG GLU A 13 0.382 0.914 -6.717 1.00 0.00 C ATOM 172 CD GLU A 13 1.078 -0.282 -6.077 1.00 0.00 C ATOM 173 OE1 GLU A 13 1.829 -0.046 -5.108 1.00 0.00 O ATOM 174 OE2 GLU A 13 0.811 -1.416 -6.537 1.00 0.00 O ATOM 0 H GLU A 13 -3.213 1.868 -5.569 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.949 -0.367 -6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.343 2.196 -6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.602 1.735 -4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.114 0.662 -7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.082 1.748 -6.766 1.00 0.00 H new ATOM 179 N CYS A 14 -1.470 0.040 -3.416 1.00 0.00 N ATOM 180 CA CYS A 14 -1.049 -0.458 -2.125 1.00 0.00 C ATOM 181 C CYS A 14 -1.712 -1.783 -1.843 1.00 0.00 C ATOM 182 O CYS A 14 -1.176 -2.632 -1.141 1.00 0.00 O ATOM 183 CB CYS A 14 -1.522 0.495 -1.027 1.00 0.00 C ATOM 184 SG CYS A 14 -1.299 2.247 -1.252 1.00 0.00 S ATOM 0 H CYS A 14 -1.761 1.015 -3.352 1.00 0.00 H new ATOM 0 HA CYS A 14 0.037 -0.551 -2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.586 0.316 -0.871 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.013 0.214 -0.105 1.00 0.00 H new ATOM 188 N TRP A 15 -2.924 -1.916 -2.380 1.00 0.00 N ATOM 189 CA TRP A 15 -3.649 -3.163 -2.274 1.00 0.00 C ATOM 190 C TRP A 15 -2.828 -4.223 -3.004 1.00 0.00 C ATOM 191 O TRP A 15 -2.298 -5.139 -2.382 1.00 0.00 O ATOM 192 CB TRP A 15 -5.063 -3.028 -2.839 1.00 0.00 C ATOM 193 CG TRP A 15 -5.973 -2.029 -2.205 1.00 0.00 C ATOM 194 CD1 TRP A 15 -5.659 -1.189 -1.201 1.00 0.00 C ATOM 195 CD2 TRP A 15 -7.357 -1.732 -2.550 1.00 0.00 C ATOM 196 NE1 TRP A 15 -6.743 -0.394 -0.904 1.00 0.00 N ATOM 197 CE2 TRP A 15 -7.822 -0.680 -1.710 1.00 0.00 C ATOM 198 CE3 TRP A 15 -8.261 -2.247 -3.498 1.00 0.00 C ATOM 199 CZ2 TRP A 15 -9.121 -0.162 -1.803 1.00 0.00 C ATOM 200 CZ3 TRP A 15 -9.567 -1.735 -3.608 1.00 0.00 C ATOM 201 CH2 TRP A 15 -9.999 -0.694 -2.764 1.00 0.00 C ATOM 0 H TRP A 15 -3.413 -1.178 -2.887 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.778 -3.453 -1.231 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.979 -2.780 -3.897 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -5.543 -4.005 -2.778 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.701 -1.145 -0.704 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -6.746 0.320 -0.176 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -7.947 -3.048 -4.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.443 0.633 -1.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -10.243 -2.143 -4.345 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -11.002 -0.305 -2.855 1.00 0.00 H new ATOM 211 N THR A 16 -2.659 -4.056 -4.318 1.00 0.00 N ATOM 212 CA THR A 16 -1.796 -4.897 -5.121 1.00 0.00 C ATOM 213 C THR A 16 -0.427 -5.078 -4.484 1.00 0.00 C ATOM 214 O THR A 16 0.179 -6.137 -4.624 1.00 0.00 O ATOM 215 CB THR A 16 -1.611 -4.343 -6.543 1.00 0.00 C ATOM 216 OG1 THR A 16 -0.376 -3.689 -6.789 1.00 0.00 O ATOM 217 CG2 THR A 16 -2.793 -3.582 -7.141 1.00 0.00 C ATOM 0 H THR A 16 -3.127 -3.323 -4.851 1.00 0.00 H new ATOM 0 HA THR A 16 -2.295 -5.864 -5.178 1.00 0.00 H new ATOM 0 HB THR A 16 -1.574 -5.276 -7.105 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.419 -2.771 -6.449 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.537 -3.243 -8.145 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.661 -4.239 -7.190 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.025 -2.720 -6.515 1.00 0.00 H new ATOM 225 N ALA A 17 0.133 -4.026 -3.897 1.00 0.00 N ATOM 226 CA ALA A 17 1.426 -4.106 -3.233 1.00 0.00 C ATOM 227 C ALA A 17 1.401 -5.169 -2.138 1.00 0.00 C ATOM 228 O ALA A 17 2.176 -6.125 -2.184 1.00 0.00 O ATOM 229 CB ALA A 17 1.874 -2.743 -2.701 1.00 0.00 C ATOM 0 H ALA A 17 -0.294 -3.100 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 17 2.168 -4.408 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.843 -2.844 -2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.957 -2.039 -3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.142 -2.374 -1.983 1.00 0.00 H new ATOM 235 N CYS A 18 0.474 -5.037 -1.191 1.00 0.00 N ATOM 236 CA CYS A 18 0.335 -5.996 -0.104 1.00 0.00 C ATOM 237 C CYS A 18 0.042 -7.389 -0.653 1.00 0.00 C ATOM 238 O CYS A 18 0.499 -8.404 -0.119 1.00 0.00 O ATOM 239 CB CYS A 18 -0.763 -5.576 0.867 1.00 0.00 C ATOM 240 SG CYS A 18 -0.341 -6.071 2.558 1.00 0.00 S ATOM 0 H CYS A 18 -0.195 -4.268 -1.158 1.00 0.00 H new ATOM 0 HA CYS A 18 1.280 -6.020 0.439 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.902 -4.496 0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.709 -6.032 0.574 1.00 0.00 H new ATOM 244 N LYS A 19 -0.726 -7.432 -1.744 1.00 0.00 N ATOM 245 CA LYS A 19 -1.051 -8.669 -2.403 1.00 0.00 C ATOM 246 C LYS A 19 0.195 -9.337 -2.983 1.00 0.00 C ATOM 247 O LYS A 19 0.370 -10.544 -2.870 1.00 0.00 O ATOM 248 CB LYS A 19 -2.074 -8.395 -3.498 1.00 0.00 C ATOM 249 CG LYS A 19 -3.432 -8.120 -2.897 1.00 0.00 C ATOM 250 CD LYS A 19 -4.653 -8.588 -3.709 1.00 0.00 C ATOM 251 CE LYS A 19 -4.755 -8.033 -5.137 1.00 0.00 C ATOM 252 NZ LYS A 19 -3.944 -8.802 -6.103 1.00 0.00 N ATOM 0 H LYS A 19 -1.132 -6.606 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.474 -9.358 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.755 -7.542 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.134 -9.251 -4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.473 -8.594 -1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.522 -7.046 -2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.635 -9.677 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.556 -8.310 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.798 -8.044 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.431 -6.992 -5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.302 -8.637 -7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.952 -8.495 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.006 -9.816 -5.879 1.00 0.00 H new ATOM 262 N LYS A 20 1.031 -8.531 -3.633 1.00 0.00 N ATOM 263 CA LYS A 20 2.286 -8.965 -4.237 1.00 0.00 C ATOM 264 C LYS A 20 3.125 -9.719 -3.203 1.00 0.00 C ATOM 265 O LYS A 20 3.537 -10.847 -3.453 1.00 0.00 O ATOM 266 CB LYS A 20 3.073 -7.782 -4.851 1.00 0.00 C ATOM 267 CG LYS A 20 3.231 -7.885 -6.378 1.00 0.00 C ATOM 268 CD LYS A 20 1.927 -7.645 -7.158 1.00 0.00 C ATOM 269 CE LYS A 20 1.760 -6.211 -7.695 1.00 0.00 C ATOM 270 NZ LYS A 20 1.795 -5.191 -6.630 1.00 0.00 N ATOM 0 H LYS A 20 0.849 -7.535 -3.757 1.00 0.00 H new ATOM 0 HA LYS A 20 2.053 -9.641 -5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.563 -6.850 -4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.061 -7.735 -4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.977 -7.161 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.615 -8.874 -6.628 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.886 -8.341 -7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.082 -7.878 -6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.551 -6.004 -8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.814 -6.137 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.169 -4.401 -6.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.474 -5.612 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.767 -4.840 -6.518 1.00 0.00 H new ATOM 280 N VAL A 21 3.381 -9.094 -2.049 1.00 0.00 N ATOM 281 CA VAL A 21 4.135 -9.732 -0.984 1.00 0.00 C ATOM 282 C VAL A 21 3.372 -10.905 -0.361 1.00 0.00 C ATOM 283 O VAL A 21 3.862 -12.030 -0.360 1.00 0.00 O ATOM 284 CB VAL A 21 4.543 -8.717 0.104 1.00 0.00 C ATOM 285 CG1 VAL A 21 6.056 -8.512 0.056 1.00 0.00 C ATOM 286 CG2 VAL A 21 3.901 -7.331 0.027 1.00 0.00 C ATOM 0 H VAL A 21 3.073 -8.145 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 21 5.041 -10.131 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 21 4.183 -9.167 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.351 -7.795 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.558 -9.463 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.341 -8.131 -0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.270 -6.713 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.157 -6.864 -0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.818 -7.427 0.104 1.00 0.00 H new ATOM 296 N THR A 22 2.220 -10.620 0.251 1.00 0.00 N ATOM 297 CA THR A 22 1.527 -11.572 1.115 1.00 0.00 C ATOM 298 C THR A 22 0.330 -12.181 0.398 1.00 0.00 C ATOM 299 O THR A 22 0.118 -13.390 0.436 1.00 0.00 O ATOM 300 CB THR A 22 1.064 -10.882 2.410 1.00 0.00 C ATOM 301 OG1 THR A 22 0.192 -9.798 2.147 1.00 0.00 O ATOM 302 CG2 THR A 22 2.241 -10.384 3.250 1.00 0.00 C ATOM 0 H THR A 22 1.744 -9.723 0.160 1.00 0.00 H new ATOM 0 HA THR A 22 2.225 -12.370 1.367 1.00 0.00 H new ATOM 0 HB THR A 22 0.526 -11.643 2.976 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.601 -9.203 1.484 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.866 -9.904 4.154 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.875 -11.227 3.523 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.822 -9.665 2.672 1.00 0.00 H new ATOM 310 N GLY A 23 -0.484 -11.306 -0.187 1.00 0.00 N ATOM 311 CA GLY A 23 -1.841 -11.631 -0.621 1.00 0.00 C ATOM 312 C GLY A 23 -2.881 -10.775 0.108 1.00 0.00 C ATOM 313 O GLY A 23 -4.013 -10.641 -0.354 1.00 0.00 O ATOM 0 H GLY A 23 -0.217 -10.340 -0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.928 -11.475 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.041 -12.686 -0.435 1.00 0.00 H new ATOM 317 N SER A 24 -2.499 -10.170 1.235 1.00 0.00 N ATOM 318 CA SER A 24 -3.406 -9.508 2.164 1.00 0.00 C ATOM 319 C SER A 24 -3.775 -8.119 1.645 1.00 0.00 C ATOM 320 O SER A 24 -3.379 -7.115 2.228 1.00 0.00 O ATOM 321 CB SER A 24 -2.732 -9.434 3.537 1.00 0.00 C ATOM 322 OG SER A 24 -2.350 -10.735 3.941 1.00 0.00 O ATOM 0 H SER A 24 -1.524 -10.128 1.531 1.00 0.00 H new ATOM 0 HA SER A 24 -4.332 -10.076 2.255 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.858 -8.784 3.491 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.415 -9.000 4.267 1.00 0.00 H new ATOM 0 HG SER A 24 -1.917 -10.691 4.819 1.00 0.00 H new ATOM 327 N GLY A 25 -4.515 -8.065 0.538 1.00 0.00 N ATOM 328 CA GLY A 25 -4.621 -6.897 -0.325 1.00 0.00 C ATOM 329 C GLY A 25 -5.432 -5.703 0.210 1.00 0.00 C ATOM 330 O GLY A 25 -6.196 -5.114 -0.552 1.00 0.00 O ATOM 0 H GLY A 25 -5.071 -8.855 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.613 -6.548 -0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.066 -7.213 -1.269 1.00 0.00 H new ATOM 334 N GLN A 26 -5.314 -5.354 1.489 1.00 0.00 N ATOM 335 CA GLN A 26 -6.122 -4.359 2.176 1.00 0.00 C ATOM 336 C GLN A 26 -5.218 -3.220 2.638 1.00 0.00 C ATOM 337 O GLN A 26 -4.303 -3.467 3.412 1.00 0.00 O ATOM 338 CB GLN A 26 -6.748 -5.042 3.395 1.00 0.00 C ATOM 339 CG GLN A 26 -7.547 -6.271 2.956 1.00 0.00 C ATOM 340 CD GLN A 26 -8.406 -6.838 4.083 1.00 0.00 C ATOM 341 OE1 GLN A 26 -8.287 -6.438 5.236 1.00 0.00 O ATOM 342 NE2 GLN A 26 -9.286 -7.784 3.759 1.00 0.00 N ATOM 0 H GLN A 26 -4.618 -5.780 2.101 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.895 -3.958 1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.968 -5.337 4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.400 -4.343 3.919 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.186 -6.004 2.114 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.860 -7.041 2.603 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.364 -8.098 2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.882 -8.194 4.478 1.00 0.00 H new ATOM 349 N GLY A 27 -5.447 -1.978 2.204 1.00 0.00 N ATOM 350 CA GLY A 27 -4.574 -0.879 2.595 1.00 0.00 C ATOM 351 C GLY A 27 -5.092 0.454 2.081 1.00 0.00 C ATOM 352 O GLY A 27 -6.211 0.531 1.575 1.00 0.00 O ATOM 0 H GLY A 27 -6.219 -1.715 1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.495 -0.845 3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.571 -1.054 2.207 1.00 0.00 H new ATOM 356 N LYS A 28 -4.264 1.497 2.167 1.00 0.00 N ATOM 357 CA LYS A 28 -4.445 2.765 1.470 1.00 0.00 C ATOM 358 C LYS A 28 -3.064 3.381 1.294 1.00 0.00 C ATOM 359 O LYS A 28 -2.120 3.006 1.989 1.00 0.00 O ATOM 360 CB LYS A 28 -5.350 3.735 2.249 1.00 0.00 C ATOM 361 CG LYS A 28 -6.849 3.479 2.045 1.00 0.00 C ATOM 362 CD LYS A 28 -7.655 4.658 2.603 1.00 0.00 C ATOM 363 CE LYS A 28 -9.161 4.447 2.372 1.00 0.00 C ATOM 364 NZ LYS A 28 -9.963 5.596 2.849 1.00 0.00 N ATOM 0 H LYS A 28 -3.423 1.478 2.743 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.933 2.583 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.119 3.659 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.120 4.756 1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.064 3.348 0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.142 2.556 2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.458 4.767 3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.335 5.583 2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.346 4.292 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.483 3.542 2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.972 5.412 2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.807 5.729 3.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.675 6.456 2.340 1.00 0.00 H new ATOM 374 N CYS A 29 -2.956 4.323 0.355 1.00 0.00 N ATOM 375 CA CYS A 29 -1.714 5.031 0.131 1.00 0.00 C ATOM 376 C CYS A 29 -1.689 6.257 1.030 1.00 0.00 C ATOM 377 O CYS A 29 -2.729 6.665 1.550 1.00 0.00 O ATOM 378 CB CYS A 29 -1.491 5.423 -1.334 1.00 0.00 C ATOM 379 SG CYS A 29 -1.586 7.145 -1.836 1.00 0.00 S ATOM 0 H CYS A 29 -3.720 4.607 -0.258 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.894 4.357 0.378 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.504 5.058 -1.619 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.219 4.873 -1.930 1.00 0.00 H new ATOM 383 N GLN A 30 -0.519 6.865 1.184 1.00 0.00 N ATOM 384 CA GLN A 30 -0.389 8.193 1.742 1.00 0.00 C ATOM 385 C GLN A 30 0.700 8.883 0.946 1.00 0.00 C ATOM 386 O GLN A 30 1.705 8.248 0.655 1.00 0.00 O ATOM 387 CB GLN A 30 0.040 8.086 3.208 1.00 0.00 C ATOM 388 CG GLN A 30 0.088 9.438 3.935 1.00 0.00 C ATOM 389 CD GLN A 30 -1.150 10.285 3.669 1.00 0.00 C ATOM 390 OE1 GLN A 30 -1.159 11.087 2.738 1.00 0.00 O ATOM 391 NE2 GLN A 30 -2.212 10.093 4.445 1.00 0.00 N ATOM 0 H GLN A 30 0.371 6.441 0.921 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.329 8.744 1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.650 7.425 3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.025 7.622 3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.185 9.268 5.007 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.975 9.986 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.170 9.419 5.209 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.069 10.620 4.276 1.00 0.00 H new ATOM 398 N ASN A 31 0.554 10.170 0.652 1.00 0.00 N ATOM 399 CA ASN A 31 1.629 10.992 0.133 1.00 0.00 C ATOM 400 C ASN A 31 2.125 10.462 -1.225 1.00 0.00 C ATOM 401 O ASN A 31 1.527 10.770 -2.253 1.00 0.00 O ATOM 402 CB ASN A 31 2.692 11.119 1.240 1.00 0.00 C ATOM 403 CG ASN A 31 3.691 12.216 0.895 1.00 0.00 C ATOM 404 OD1 ASN A 31 3.379 13.397 0.995 1.00 0.00 O ATOM 405 ND2 ASN A 31 4.896 11.843 0.482 1.00 0.00 N ATOM 0 H ASN A 31 -0.326 10.673 0.770 1.00 0.00 H new ATOM 0 HA ASN A 31 1.299 12.003 -0.105 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.210 11.344 2.191 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.213 10.170 1.363 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.592 12.547 0.238 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.126 10.852 0.409 1.00 0.00 H new ATOM 411 N ASN A 32 3.161 9.620 -1.213 1.00 0.00 N ATOM 412 CA ASN A 32 3.589 8.713 -2.281 1.00 0.00 C ATOM 413 C ASN A 32 4.318 7.556 -1.593 1.00 0.00 C ATOM 414 O ASN A 32 5.477 7.259 -1.866 1.00 0.00 O ATOM 415 CB ASN A 32 4.480 9.369 -3.345 1.00 0.00 C ATOM 416 CG ASN A 32 3.835 10.507 -4.059 1.00 0.00 C ATOM 417 OD1 ASN A 32 4.188 11.672 -3.894 1.00 0.00 O ATOM 418 ND2 ASN A 32 2.804 10.185 -4.788 1.00 0.00 N ATOM 0 H ASN A 32 3.768 9.549 -0.396 1.00 0.00 H new ATOM 0 HA ASN A 32 2.713 8.380 -2.837 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.395 9.723 -2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 32 4.772 8.614 -4.075 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.257 10.913 -5.247 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.544 9.205 -4.900 1.00 0.00 H new ATOM 424 N GLN A 33 3.607 6.938 -0.659 1.00 0.00 N ATOM 425 CA GLN A 33 3.978 5.857 0.228 1.00 0.00 C ATOM 426 C GLN A 33 2.683 5.077 0.440 1.00 0.00 C ATOM 427 O GLN A 33 1.631 5.505 -0.045 1.00 0.00 O ATOM 428 CB GLN A 33 4.448 6.434 1.574 1.00 0.00 C ATOM 429 CG GLN A 33 5.912 6.876 1.558 1.00 0.00 C ATOM 430 CD GLN A 33 6.214 8.293 1.110 1.00 0.00 C ATOM 431 OE1 GLN A 33 5.330 9.083 0.772 1.00 0.00 O ATOM 432 NE2 GLN A 33 7.502 8.617 1.131 1.00 0.00 N ATOM 0 H GLN A 33 2.642 7.221 -0.490 1.00 0.00 H new ATOM 0 HA GLN A 33 4.782 5.242 -0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.820 7.286 1.837 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.310 5.684 2.353 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.312 6.750 2.564 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.461 6.194 0.909 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.197 7.928 1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.796 9.555 0.860 1.00 0.00 H new ATOM 439 N CYS A 34 2.699 3.962 1.173 1.00 0.00 N ATOM 440 CA CYS A 34 1.521 3.121 1.237 1.00 0.00 C ATOM 441 C CYS A 34 1.546 2.285 2.498 1.00 0.00 C ATOM 442 O CYS A 34 2.612 2.065 3.067 1.00 0.00 O ATOM 443 CB CYS A 34 1.519 2.210 0.002 1.00 0.00 C ATOM 444 SG CYS A 34 0.706 2.538 -1.574 1.00 0.00 S ATOM 0 H CYS A 34 3.498 3.633 1.715 1.00 0.00 H new ATOM 0 HA CYS A 34 0.621 3.736 1.254 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.569 2.045 -0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.117 1.256 0.344 1.00 0.00 H new ATOM 448 N ARG A 35 0.366 1.867 2.963 1.00 0.00 N ATOM 449 CA ARG A 35 0.185 1.236 4.256 1.00 0.00 C ATOM 450 C ARG A 35 -0.857 0.130 4.134 1.00 0.00 C ATOM 451 O ARG A 35 -1.882 0.340 3.478 1.00 0.00 O ATOM 452 CB ARG A 35 -0.206 2.312 5.285 1.00 0.00 C ATOM 453 CG ARG A 35 1.061 3.053 5.715 1.00 0.00 C ATOM 454 CD ARG A 35 0.864 4.436 6.352 1.00 0.00 C ATOM 455 NE ARG A 35 1.837 5.376 5.760 1.00 0.00 N ATOM 456 CZ ARG A 35 2.380 6.462 6.332 1.00 0.00 C ATOM 457 NH1 ARG A 35 1.921 6.903 7.505 1.00 0.00 N ATOM 458 NH2 ARG A 35 3.383 7.099 5.714 1.00 0.00 N ATOM 0 H ARG A 35 -0.501 1.963 2.435 1.00 0.00 H new ATOM 0 HA ARG A 35 1.109 0.771 4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.924 3.008 4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.688 1.854 6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.599 2.424 6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.702 3.168 4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.153 4.789 6.181 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.004 4.378 7.431 1.00 0.00 H new ATOM 0 HE ARG A 35 2.131 5.176 4.804 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.155 6.414 7.969 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.336 7.729 7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.728 6.758 4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.802 7.925 6.141 1.00 0.00 H new ATOM 469 N CYS A 36 -0.577 -1.045 4.717 1.00 0.00 N ATOM 470 CA CYS A 36 -1.439 -2.220 4.584 1.00 0.00 C ATOM 471 C CYS A 36 -2.092 -2.522 5.931 1.00 0.00 C ATOM 472 O CYS A 36 -1.612 -2.056 6.959 1.00 0.00 O ATOM 473 CB CYS A 36 -0.642 -3.401 4.019 1.00 0.00 C ATOM 474 SG CYS A 36 -1.597 -4.910 3.735 1.00 0.00 S ATOM 0 H CYS A 36 0.251 -1.203 5.291 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.241 -2.025 3.872 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.188 -3.095 3.076 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.173 -3.630 4.705 1.00 0.00 H new ATOM 478 N TYR A 37 -3.214 -3.237 5.939 1.00 0.00 N ATOM 479 CA TYR A 37 -4.017 -3.534 7.114 1.00 0.00 C ATOM 480 C TYR A 37 -3.800 -4.987 7.530 1.00 0.00 C ATOM 481 O TYR A 37 -2.680 -5.493 7.458 1.00 0.00 O ATOM 482 CB TYR A 37 -5.489 -3.255 6.774 1.00 0.00 C ATOM 483 CG TYR A 37 -5.810 -1.849 6.291 1.00 0.00 C ATOM 484 CD1 TYR A 37 -5.021 -0.739 6.659 1.00 0.00 C ATOM 485 CD2 TYR A 37 -6.951 -1.644 5.492 1.00 0.00 C ATOM 486 CE1 TYR A 37 -5.353 0.549 6.205 1.00 0.00 C ATOM 487 CE2 TYR A 37 -7.292 -0.355 5.050 1.00 0.00 C ATOM 488 CZ TYR A 37 -6.501 0.745 5.422 1.00 0.00 C ATOM 489 OH TYR A 37 -6.882 2.005 5.074 1.00 0.00 O ATOM 0 H TYR A 37 -3.602 -3.641 5.087 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.724 -2.906 7.955 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.803 -3.962 6.006 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.090 -3.459 7.660 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.158 -0.880 7.293 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.570 -2.485 5.216 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.724 1.389 6.459 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.161 -0.210 4.425 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.091 2.579 5.006 1.00 0.00 H new