USER MOD reduce.3.24.130724 H: found=0, std=0, add=242, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 242 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 34 TYR OH : rot -151:sc= 0.0361 USER MOD Set 1.2: A 36 GLN : amide:sc= -0.0819 X(o=-0.046,f=-0.32) USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 28 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.41) USER MOD Set 3.1: A 4 GLN : amide:sc= -0.273 K(o=0.41,f=-0.4) USER MOD Set 3.2: A 15 TYR OH : rot -15:sc= 0.679 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 30:sc= 0.311 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.526 USER MOD Single : A 6 HIS : no HD1:sc= -2.39 K(o=-2.4,f=-1.8) USER MOD Single : A 9 GLN : amide:sc= -2.16 K(o=-2.2,f=-1.1) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 169:sc= 0.664 (180deg=0.387) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 131:sc= 0.612 USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.655 X(o=-0.65,f=-0.8) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -100:sc= 0.745 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.801 9.281 -5.003 1.00 0.00 N ATOM 2 CA SER A 1 -7.772 8.491 -4.301 1.00 0.00 C ATOM 3 C SER A 1 -6.992 9.354 -3.301 1.00 0.00 C ATOM 4 O SER A 1 -6.389 10.357 -3.686 1.00 0.00 O ATOM 5 CB SER A 1 -6.813 7.814 -5.295 1.00 0.00 C ATOM 6 OG SER A 1 -7.496 6.874 -6.099 1.00 0.00 O ATOM 0 H1 SER A 1 -9.311 8.670 -5.672 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.471 9.672 -4.310 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.347 10.059 -5.522 1.00 0.00 H new ATOM 0 HA SER A 1 -8.288 7.710 -3.743 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.348 8.569 -5.928 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.011 7.317 -4.750 1.00 0.00 H new ATOM 0 HG SER A 1 -6.866 6.458 -6.724 1.00 0.00 H new ATOM 14 N CYS A 2 -6.989 8.945 -2.023 1.00 0.00 N ATOM 15 CA CYS A 2 -6.242 9.569 -0.936 1.00 0.00 C ATOM 16 C CYS A 2 -4.716 9.526 -1.157 1.00 0.00 C ATOM 17 O CYS A 2 -4.204 8.693 -1.906 1.00 0.00 O ATOM 18 CB CYS A 2 -6.647 8.928 0.415 1.00 0.00 C ATOM 19 SG CYS A 2 -5.706 7.490 1.039 1.00 0.00 S ATOM 0 H CYS A 2 -7.530 8.138 -1.713 1.00 0.00 H new ATOM 0 HA CYS A 2 -6.505 10.627 -0.916 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -6.597 9.707 1.176 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -7.691 8.627 0.335 1.00 0.00 H new ATOM 24 N THR A 3 -3.990 10.406 -0.451 1.00 0.00 N ATOM 25 CA THR A 3 -2.552 10.313 -0.226 1.00 0.00 C ATOM 26 C THR A 3 -2.365 9.429 1.012 1.00 0.00 C ATOM 27 O THR A 3 -2.587 9.863 2.143 1.00 0.00 O ATOM 28 CB THR A 3 -1.916 11.706 -0.061 1.00 0.00 C ATOM 29 OG1 THR A 3 -2.572 12.462 0.940 1.00 0.00 O ATOM 30 CG2 THR A 3 -1.925 12.481 -1.387 1.00 0.00 C ATOM 0 H THR A 3 -4.407 11.226 -0.010 1.00 0.00 H new ATOM 0 HA THR A 3 -2.044 9.872 -1.083 1.00 0.00 H new ATOM 0 HB THR A 3 -0.882 11.549 0.248 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.937 11.858 1.620 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.470 13.460 -1.239 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.359 11.927 -2.136 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.953 12.606 -1.728 1.00 0.00 H new ATOM 38 N GLN A 4 -2.030 8.161 0.763 1.00 0.00 N ATOM 39 CA GLN A 4 -2.158 7.043 1.687 1.00 0.00 C ATOM 40 C GLN A 4 -0.855 6.908 2.490 1.00 0.00 C ATOM 41 O GLN A 4 0.219 6.922 1.893 1.00 0.00 O ATOM 42 CB GLN A 4 -2.524 5.809 0.845 1.00 0.00 C ATOM 43 CG GLN A 4 -2.909 4.533 1.590 1.00 0.00 C ATOM 44 CD GLN A 4 -2.096 3.314 1.136 1.00 0.00 C ATOM 45 OE1 GLN A 4 -0.872 3.378 1.045 1.00 0.00 O ATOM 46 NE2 GLN A 4 -2.785 2.212 0.823 1.00 0.00 N ATOM 0 H GLN A 4 -1.642 7.877 -0.137 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.944 7.181 2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.355 6.081 0.194 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.676 5.579 0.200 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.763 4.684 2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.970 4.334 1.438 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.801 2.203 0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.295 1.380 0.494 1.00 0.00 H new ATOM 55 N THR A 5 -0.918 6.846 3.834 1.00 0.00 N ATOM 56 CA THR A 5 0.247 7.022 4.700 1.00 0.00 C ATOM 57 C THR A 5 1.278 5.902 4.560 1.00 0.00 C ATOM 58 O THR A 5 1.063 4.876 3.914 1.00 0.00 O ATOM 59 CB THR A 5 -0.189 7.226 6.171 1.00 0.00 C ATOM 60 OG1 THR A 5 0.884 7.425 7.074 1.00 0.00 O ATOM 61 CG2 THR A 5 -1.092 6.107 6.716 1.00 0.00 C ATOM 0 H THR A 5 -1.784 6.672 4.344 1.00 0.00 H new ATOM 0 HA THR A 5 0.754 7.927 4.365 1.00 0.00 H new ATOM 0 HB THR A 5 -0.768 8.148 6.118 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.531 7.548 7.980 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.354 6.323 7.752 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.000 6.048 6.117 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.562 5.156 6.667 1.00 0.00 H new ATOM 69 N HIS A 6 2.398 6.142 5.246 1.00 0.00 N ATOM 70 CA HIS A 6 3.432 5.158 5.533 1.00 0.00 C ATOM 71 C HIS A 6 2.786 4.001 6.293 1.00 0.00 C ATOM 72 O HIS A 6 2.073 4.228 7.271 1.00 0.00 O ATOM 73 CB HIS A 6 4.573 5.810 6.336 1.00 0.00 C ATOM 74 CG HIS A 6 5.735 4.902 6.697 1.00 0.00 C ATOM 75 ND1 HIS A 6 6.748 5.309 7.554 1.00 0.00 N ATOM 76 CD2 HIS A 6 6.107 3.639 6.290 1.00 0.00 C ATOM 77 CE1 HIS A 6 7.643 4.307 7.627 1.00 0.00 C ATOM 78 NE2 HIS A 6 7.305 3.255 6.881 1.00 0.00 N ATOM 0 H HIS A 6 2.613 7.063 5.629 1.00 0.00 H new ATOM 0 HA HIS A 6 3.872 4.775 4.612 1.00 0.00 H new ATOM 0 HB2 HIS A 6 4.960 6.652 5.762 1.00 0.00 H new ATOM 0 HB3 HIS A 6 4.156 6.217 7.257 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.542 3.028 5.602 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.540 4.350 8.226 1.00 0.00 H new ATOM 0 HE2 HIS A 6 7.808 2.375 6.770 1.00 0.00 H new ATOM 86 N TRP A 7 2.987 2.784 5.774 1.00 0.00 N ATOM 87 CA TRP A 7 2.246 1.575 6.160 1.00 0.00 C ATOM 88 C TRP A 7 0.766 1.737 5.762 1.00 0.00 C ATOM 89 O TRP A 7 -0.004 2.367 6.487 1.00 0.00 O ATOM 90 CB TRP A 7 2.405 1.202 7.650 1.00 0.00 C ATOM 91 CG TRP A 7 3.784 0.867 8.148 1.00 0.00 C ATOM 92 CD1 TRP A 7 4.394 -0.340 8.102 1.00 0.00 C ATOM 93 CD2 TRP A 7 4.692 1.728 8.889 1.00 0.00 C ATOM 94 NE1 TRP A 7 5.607 -0.287 8.764 1.00 0.00 N ATOM 95 CE2 TRP A 7 5.843 0.974 9.272 1.00 0.00 C ATOM 96 CE3 TRP A 7 4.636 3.075 9.297 1.00 0.00 C ATOM 97 CZ2 TRP A 7 6.891 1.541 10.024 1.00 0.00 C ATOM 98 CZ3 TRP A 7 5.655 3.646 10.092 1.00 0.00 C ATOM 99 CH2 TRP A 7 6.786 2.881 10.448 1.00 0.00 C ATOM 0 H TRP A 7 3.688 2.607 5.055 1.00 0.00 H new ATOM 0 HA TRP A 7 2.678 0.735 5.616 1.00 0.00 H new ATOM 0 HB2 TRP A 7 2.027 2.033 8.245 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.760 0.347 7.851 1.00 0.00 H new ATOM 0 HD1 TRP A 7 3.992 -1.218 7.618 1.00 0.00 H new ATOM 0 HE1 TRP A 7 6.244 -1.077 8.864 1.00 0.00 H new ATOM 0 HE3 TRP A 7 3.797 3.684 8.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 7.764 0.956 10.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.568 4.669 10.427 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.571 3.322 11.045 1.00 0.00 H new ATOM 110 N GLY A 8 0.375 1.193 4.601 1.00 0.00 N ATOM 111 CA GLY A 8 -0.933 1.390 3.992 1.00 0.00 C ATOM 112 C GLY A 8 -1.055 0.432 2.805 1.00 0.00 C ATOM 113 O GLY A 8 -0.316 0.556 1.830 1.00 0.00 O ATOM 0 H GLY A 8 0.983 0.588 4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.723 1.199 4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.047 2.422 3.661 1.00 0.00 H new ATOM 117 N GLN A 9 -1.975 -0.537 2.907 1.00 0.00 N ATOM 118 CA GLN A 9 -2.161 -1.636 1.964 1.00 0.00 C ATOM 119 C GLN A 9 -2.632 -1.074 0.624 1.00 0.00 C ATOM 120 O GLN A 9 -3.777 -0.653 0.481 1.00 0.00 O ATOM 121 CB GLN A 9 -3.123 -2.667 2.580 1.00 0.00 C ATOM 122 CG GLN A 9 -3.016 -4.059 1.955 1.00 0.00 C ATOM 123 CD GLN A 9 -3.735 -4.153 0.623 1.00 0.00 C ATOM 124 OE1 GLN A 9 -4.909 -4.510 0.565 1.00 0.00 O ATOM 125 NE2 GLN A 9 -3.027 -3.825 -0.452 1.00 0.00 N ATOM 0 H GLN A 9 -2.635 -0.573 3.684 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.225 -2.159 1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.924 -2.742 3.649 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.146 -2.307 2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.965 -4.312 1.816 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.433 -4.796 2.642 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.054 -3.534 -0.353 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.456 -3.864 -1.377 1.00 0.00 H new ATOM 134 N CYS A 10 -1.705 -1.056 -0.339 1.00 0.00 N ATOM 135 CA CYS A 10 -1.842 -0.451 -1.653 1.00 0.00 C ATOM 136 C CYS A 10 -2.336 -1.482 -2.677 1.00 0.00 C ATOM 137 O CYS A 10 -3.353 -1.249 -3.329 1.00 0.00 O ATOM 138 CB CYS A 10 -0.510 0.217 -2.066 1.00 0.00 C ATOM 139 SG CYS A 10 1.015 -0.781 -1.981 1.00 0.00 S ATOM 0 H CYS A 10 -0.791 -1.489 -0.208 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.599 0.333 -1.617 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.619 0.573 -3.091 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.369 1.096 -1.437 1.00 0.00 H new ATOM 144 N GLY A 11 -1.621 -2.609 -2.825 1.00 0.00 N ATOM 145 CA GLY A 11 -1.786 -3.543 -3.945 1.00 0.00 C ATOM 146 C GLY A 11 -2.363 -4.888 -3.496 1.00 0.00 C ATOM 147 O GLY A 11 -1.634 -5.874 -3.411 1.00 0.00 O ATOM 0 H GLY A 11 -0.904 -2.899 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.443 -3.099 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -0.821 -3.706 -4.425 1.00 0.00 H new ATOM 151 N GLY A 12 -3.677 -4.931 -3.230 1.00 0.00 N ATOM 152 CA GLY A 12 -4.380 -6.099 -2.712 1.00 0.00 C ATOM 153 C GLY A 12 -5.729 -6.289 -3.410 1.00 0.00 C ATOM 154 O GLY A 12 -6.419 -5.311 -3.703 1.00 0.00 O ATOM 0 H GLY A 12 -4.290 -4.129 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.766 -6.988 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.536 -5.987 -1.639 1.00 0.00 H new ATOM 158 N ILE A 13 -6.103 -7.555 -3.664 1.00 0.00 N ATOM 159 CA ILE A 13 -7.331 -7.948 -4.352 1.00 0.00 C ATOM 160 C ILE A 13 -8.479 -7.960 -3.325 1.00 0.00 C ATOM 161 O ILE A 13 -8.979 -9.015 -2.935 1.00 0.00 O ATOM 162 CB ILE A 13 -7.133 -9.290 -5.105 1.00 0.00 C ATOM 163 CG1 ILE A 13 -5.905 -9.226 -6.043 1.00 0.00 C ATOM 164 CG2 ILE A 13 -8.387 -9.649 -5.928 1.00 0.00 C ATOM 165 CD1 ILE A 13 -5.545 -10.579 -6.673 1.00 0.00 C ATOM 0 H ILE A 13 -5.535 -8.355 -3.384 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.596 -7.230 -5.128 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.965 -10.062 -4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.101 -8.505 -6.837 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.047 -8.856 -5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.224 -10.594 -6.447 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.244 -9.744 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.580 -8.863 -6.658 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.675 -10.460 -7.319 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.317 -11.298 -5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.387 -10.941 -7.263 1.00 0.00 H new ATOM 177 N GLY A 14 -8.858 -6.761 -2.862 1.00 0.00 N ATOM 178 CA GLY A 14 -9.847 -6.580 -1.769 1.00 0.00 C ATOM 179 C GLY A 14 -9.990 -5.079 -1.506 1.00 0.00 C ATOM 180 O GLY A 14 -11.066 -4.510 -1.689 1.00 0.00 O ATOM 0 H GLY A 14 -8.492 -5.883 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.808 -7.011 -2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.517 -7.095 -0.867 1.00 0.00 H new ATOM 184 N TYR A 15 -8.877 -4.446 -1.102 1.00 0.00 N ATOM 185 CA TYR A 15 -8.722 -3.005 -0.933 1.00 0.00 C ATOM 186 C TYR A 15 -8.792 -2.328 -2.309 1.00 0.00 C ATOM 187 O TYR A 15 -8.042 -2.697 -3.214 1.00 0.00 O ATOM 188 CB TYR A 15 -7.371 -2.749 -0.242 1.00 0.00 C ATOM 189 CG TYR A 15 -7.021 -1.297 0.047 1.00 0.00 C ATOM 190 CD1 TYR A 15 -6.572 -0.453 -0.996 1.00 0.00 C ATOM 191 CD2 TYR A 15 -7.014 -0.820 1.379 1.00 0.00 C ATOM 192 CE1 TYR A 15 -6.183 0.873 -0.718 1.00 0.00 C ATOM 193 CE2 TYR A 15 -6.585 0.494 1.662 1.00 0.00 C ATOM 194 CZ TYR A 15 -6.198 1.351 0.609 1.00 0.00 C ATOM 195 OH TYR A 15 -5.827 2.636 0.873 1.00 0.00 O ATOM 0 H TYR A 15 -8.023 -4.956 -0.875 1.00 0.00 H new ATOM 0 HA TYR A 15 -9.518 -2.588 -0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -7.361 -3.297 0.700 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.583 -3.172 -0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.527 -0.826 -2.009 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -7.338 -1.464 2.183 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.873 1.524 -1.522 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.553 0.844 2.683 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.360 3.008 0.096 1.00 0.00 H new ATOM 205 N SER A 16 -9.698 -1.351 -2.461 1.00 0.00 N ATOM 206 CA SER A 16 -9.924 -0.613 -3.696 1.00 0.00 C ATOM 207 C SER A 16 -10.088 0.880 -3.383 1.00 0.00 C ATOM 208 O SER A 16 -11.205 1.349 -3.161 1.00 0.00 O ATOM 209 CB SER A 16 -11.143 -1.195 -4.432 1.00 0.00 C ATOM 210 OG SER A 16 -10.918 -2.541 -4.803 1.00 0.00 O ATOM 0 H SER A 16 -10.308 -1.050 -1.701 1.00 0.00 H new ATOM 0 HA SER A 16 -9.064 -0.715 -4.359 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.022 -1.133 -3.791 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.354 -0.600 -5.321 1.00 0.00 H new ATOM 0 HG SER A 16 -11.708 -2.889 -5.268 1.00 0.00 H new ATOM 216 N GLY A 17 -8.974 1.628 -3.388 1.00 0.00 N ATOM 217 CA GLY A 17 -8.969 3.077 -3.247 1.00 0.00 C ATOM 218 C GLY A 17 -7.582 3.638 -3.568 1.00 0.00 C ATOM 219 O GLY A 17 -7.174 3.657 -4.729 1.00 0.00 O ATOM 0 H GLY A 17 -8.041 1.229 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.710 3.517 -3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.253 3.351 -2.231 1.00 0.00 H new ATOM 223 N CYS A 18 -6.875 4.114 -2.535 1.00 0.00 N ATOM 224 CA CYS A 18 -5.581 4.760 -2.607 1.00 0.00 C ATOM 225 C CYS A 18 -4.404 3.785 -2.523 1.00 0.00 C ATOM 226 O CYS A 18 -4.028 3.357 -1.436 1.00 0.00 O ATOM 227 CB CYS A 18 -5.517 5.892 -1.568 1.00 0.00 C ATOM 228 SG CYS A 18 -6.330 5.798 0.057 1.00 0.00 S ATOM 0 H CYS A 18 -7.220 4.049 -1.577 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.475 5.201 -3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.460 6.074 -1.374 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.909 6.783 -2.058 1.00 0.00 H new ATOM 233 N LYS A 19 -3.774 3.518 -3.678 1.00 0.00 N ATOM 234 CA LYS A 19 -2.450 2.912 -3.791 1.00 0.00 C ATOM 235 C LYS A 19 -1.366 3.893 -3.304 1.00 0.00 C ATOM 236 O LYS A 19 -0.446 3.495 -2.591 1.00 0.00 O ATOM 237 CB LYS A 19 -2.150 2.527 -5.257 1.00 0.00 C ATOM 238 CG LYS A 19 -2.812 1.247 -5.771 1.00 0.00 C ATOM 239 CD LYS A 19 -4.301 1.456 -6.082 1.00 0.00 C ATOM 240 CE LYS A 19 -5.217 0.673 -5.132 1.00 0.00 C ATOM 241 NZ LYS A 19 -6.626 0.843 -5.506 1.00 0.00 N ATOM 0 H LYS A 19 -4.191 3.727 -4.585 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.440 2.016 -3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.459 3.353 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.071 2.423 -5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.298 0.908 -6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.704 0.458 -5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.537 2.518 -6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.501 1.149 -7.109 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.955 -0.385 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.064 1.015 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.210 0.166 -4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.930 1.812 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.738 0.672 -6.526 1.00 0.00 H new ATOM 255 N THR A 20 -1.464 5.158 -3.744 1.00 0.00 N ATOM 256 CA THR A 20 -0.424 6.183 -3.707 1.00 0.00 C ATOM 257 C THR A 20 0.059 6.472 -2.277 1.00 0.00 C ATOM 258 O THR A 20 -0.612 7.185 -1.535 1.00 0.00 O ATOM 259 CB THR A 20 -0.963 7.459 -4.398 1.00 0.00 C ATOM 260 OG1 THR A 20 -1.309 7.172 -5.741 1.00 0.00 O ATOM 261 CG2 THR A 20 0.044 8.619 -4.397 1.00 0.00 C ATOM 0 H THR A 20 -2.327 5.508 -4.160 1.00 0.00 H new ATOM 0 HA THR A 20 0.451 5.819 -4.245 1.00 0.00 H new ATOM 0 HB THR A 20 -1.835 7.771 -3.823 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.651 7.983 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.395 9.483 -4.896 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.295 8.882 -3.369 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.948 8.316 -4.925 1.00 0.00 H new ATOM 269 N CYS A 21 1.256 5.972 -1.928 1.00 0.00 N ATOM 270 CA CYS A 21 2.029 6.352 -0.747 1.00 0.00 C ATOM 271 C CYS A 21 2.195 7.873 -0.594 1.00 0.00 C ATOM 272 O CYS A 21 2.143 8.613 -1.577 1.00 0.00 O ATOM 273 CB CYS A 21 3.415 5.721 -0.862 1.00 0.00 C ATOM 274 SG CYS A 21 3.507 3.970 -0.516 1.00 0.00 S ATOM 0 H CYS A 21 1.726 5.262 -2.489 1.00 0.00 H new ATOM 0 HA CYS A 21 1.485 5.999 0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.788 5.892 -1.872 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.088 6.242 -0.181 1.00 0.00 H new ATOM 279 N THR A 22 2.481 8.324 0.639 1.00 0.00 N ATOM 280 CA THR A 22 2.993 9.668 0.904 1.00 0.00 C ATOM 281 C THR A 22 4.498 9.717 0.567 1.00 0.00 C ATOM 282 O THR A 22 5.122 8.695 0.276 1.00 0.00 O ATOM 283 CB THR A 22 2.673 10.068 2.361 1.00 0.00 C ATOM 284 OG1 THR A 22 2.917 11.447 2.565 1.00 0.00 O ATOM 285 CG2 THR A 22 3.457 9.258 3.401 1.00 0.00 C ATOM 0 H THR A 22 2.361 7.759 1.480 1.00 0.00 H new ATOM 0 HA THR A 22 2.503 10.404 0.267 1.00 0.00 H new ATOM 0 HB THR A 22 1.616 9.846 2.505 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.707 11.683 3.493 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.184 9.591 4.402 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.219 8.200 3.293 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.526 9.407 3.248 1.00 0.00 H new ATOM 293 N SER A 23 5.085 10.919 0.597 1.00 0.00 N ATOM 294 CA SER A 23 6.499 11.144 0.292 1.00 0.00 C ATOM 295 C SER A 23 7.418 10.382 1.262 1.00 0.00 C ATOM 296 O SER A 23 7.140 10.314 2.460 1.00 0.00 O ATOM 297 CB SER A 23 6.809 12.650 0.305 1.00 0.00 C ATOM 298 OG SER A 23 6.040 13.334 -0.664 1.00 0.00 O ATOM 0 H SER A 23 4.582 11.773 0.837 1.00 0.00 H new ATOM 0 HA SER A 23 6.696 10.755 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.602 13.059 1.294 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.870 12.808 0.111 1.00 0.00 H new ATOM 0 HG SER A 23 6.253 14.290 -0.636 1.00 0.00 H new ATOM 304 N GLY A 24 8.497 9.790 0.723 1.00 0.00 N ATOM 305 CA GLY A 24 9.423 8.921 1.444 1.00 0.00 C ATOM 306 C GLY A 24 9.114 7.435 1.214 1.00 0.00 C ATOM 307 O GLY A 24 10.038 6.633 1.076 1.00 0.00 O ATOM 0 H GLY A 24 8.751 9.911 -0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.443 9.133 1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.371 9.141 2.510 1.00 0.00 H new ATOM 311 N THR A 25 7.823 7.069 1.190 1.00 0.00 N ATOM 312 CA THR A 25 7.333 5.694 1.066 1.00 0.00 C ATOM 313 C THR A 25 6.914 5.386 -0.380 1.00 0.00 C ATOM 314 O THR A 25 6.442 6.269 -1.097 1.00 0.00 O ATOM 315 CB THR A 25 6.202 5.443 2.069 1.00 0.00 C ATOM 316 OG1 THR A 25 5.190 6.426 1.993 1.00 0.00 O ATOM 317 CG2 THR A 25 6.756 5.463 3.495 1.00 0.00 C ATOM 0 H THR A 25 7.067 7.750 1.259 1.00 0.00 H new ATOM 0 HA THR A 25 8.143 5.006 1.308 1.00 0.00 H new ATOM 0 HB THR A 25 5.775 4.472 1.820 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.314 5.990 1.935 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.946 5.284 4.202 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.511 4.684 3.603 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.206 6.435 3.697 1.00 0.00 H new ATOM 325 N THR A 26 7.111 4.126 -0.800 1.00 0.00 N ATOM 326 CA THR A 26 6.712 3.569 -2.094 1.00 0.00 C ATOM 327 C THR A 26 5.905 2.277 -1.880 1.00 0.00 C ATOM 328 O THR A 26 6.155 1.541 -0.925 1.00 0.00 O ATOM 329 CB THR A 26 7.951 3.315 -2.976 1.00 0.00 C ATOM 330 OG1 THR A 26 8.817 2.369 -2.375 1.00 0.00 O ATOM 331 CG2 THR A 26 8.729 4.608 -3.265 1.00 0.00 C ATOM 0 H THR A 26 7.578 3.436 -0.212 1.00 0.00 H new ATOM 0 HA THR A 26 6.077 4.287 -2.613 1.00 0.00 H new ATOM 0 HB THR A 26 7.583 2.919 -3.922 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.594 2.223 -2.954 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.593 4.381 -3.889 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.081 5.314 -3.785 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.065 5.048 -2.326 1.00 0.00 H new ATOM 339 N CYS A 27 4.945 1.988 -2.773 1.00 0.00 N ATOM 340 CA CYS A 27 4.123 0.782 -2.714 1.00 0.00 C ATOM 341 C CYS A 27 5.014 -0.450 -2.948 1.00 0.00 C ATOM 342 O CYS A 27 5.503 -0.666 -4.057 1.00 0.00 O ATOM 343 CB CYS A 27 2.949 0.881 -3.706 1.00 0.00 C ATOM 344 SG CYS A 27 1.885 -0.592 -3.822 1.00 0.00 S ATOM 0 H CYS A 27 4.720 2.595 -3.562 1.00 0.00 H new ATOM 0 HA CYS A 27 3.675 0.677 -1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.330 1.732 -3.423 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.351 1.094 -4.696 1.00 0.00 H new ATOM 349 N GLN A 28 5.232 -1.227 -1.878 1.00 0.00 N ATOM 350 CA GLN A 28 6.060 -2.425 -1.805 1.00 0.00 C ATOM 351 C GLN A 28 5.183 -3.670 -1.667 1.00 0.00 C ATOM 352 O GLN A 28 3.958 -3.580 -1.588 1.00 0.00 O ATOM 353 CB GLN A 28 7.033 -2.317 -0.609 1.00 0.00 C ATOM 354 CG GLN A 28 8.304 -1.490 -0.851 1.00 0.00 C ATOM 355 CD GLN A 28 8.960 -1.716 -2.217 1.00 0.00 C ATOM 356 OE1 GLN A 28 9.750 -2.642 -2.387 1.00 0.00 O ATOM 357 NE2 GLN A 28 8.637 -0.865 -3.195 1.00 0.00 N ATOM 0 H GLN A 28 4.800 -1.014 -0.979 1.00 0.00 H new ATOM 0 HA GLN A 28 6.638 -2.512 -2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.495 -1.883 0.234 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.329 -3.324 -0.314 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.059 -0.433 -0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.029 -1.724 -0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.977 -0.108 -3.015 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.050 -0.972 -4.121 1.00 0.00 H new ATOM 366 N TYR A 29 5.843 -4.837 -1.659 1.00 0.00 N ATOM 367 CA TYR A 29 5.218 -6.155 -1.735 1.00 0.00 C ATOM 368 C TYR A 29 5.702 -7.048 -0.585 1.00 0.00 C ATOM 369 O TYR A 29 6.905 -7.142 -0.341 1.00 0.00 O ATOM 370 CB TYR A 29 5.539 -6.785 -3.103 1.00 0.00 C ATOM 371 CG TYR A 29 4.811 -8.092 -3.382 1.00 0.00 C ATOM 372 CD1 TYR A 29 5.348 -9.319 -2.929 1.00 0.00 C ATOM 373 CD2 TYR A 29 3.582 -8.084 -4.081 1.00 0.00 C ATOM 374 CE1 TYR A 29 4.652 -10.524 -3.155 1.00 0.00 C ATOM 375 CE2 TYR A 29 2.889 -9.290 -4.313 1.00 0.00 C ATOM 376 CZ TYR A 29 3.423 -10.512 -3.848 1.00 0.00 C ATOM 377 OH TYR A 29 2.753 -11.679 -4.076 1.00 0.00 O ATOM 0 H TYR A 29 6.860 -4.885 -1.597 1.00 0.00 H new ATOM 0 HA TYR A 29 4.137 -6.054 -1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.288 -6.070 -3.886 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.613 -6.962 -3.165 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.294 -9.333 -2.408 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.172 -7.151 -4.439 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.060 -11.458 -2.797 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.950 -9.279 -4.846 1.00 0.00 H new ATOM 0 HH TYR A 29 2.946 -12.313 -3.354 1.00 0.00 H new ATOM 387 N SER A 30 4.761 -7.740 0.078 1.00 0.00 N ATOM 388 CA SER A 30 5.025 -8.835 1.008 1.00 0.00 C ATOM 389 C SER A 30 4.233 -10.060 0.528 1.00 0.00 C ATOM 390 O SER A 30 4.825 -10.995 -0.011 1.00 0.00 O ATOM 391 CB SER A 30 4.687 -8.421 2.451 1.00 0.00 C ATOM 392 OG SER A 30 5.508 -7.349 2.866 1.00 0.00 O ATOM 0 H SER A 30 3.766 -7.541 -0.026 1.00 0.00 H new ATOM 0 HA SER A 30 6.085 -9.091 1.021 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.639 -8.129 2.515 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.823 -9.271 3.120 1.00 0.00 H new ATOM 0 HG SER A 30 5.278 -7.098 3.785 1.00 0.00 H new ATOM 398 N ASN A 31 2.902 -10.043 0.704 1.00 0.00 N ATOM 399 CA ASN A 31 1.958 -11.001 0.127 1.00 0.00 C ATOM 400 C ASN A 31 1.223 -10.380 -1.072 1.00 0.00 C ATOM 401 O ASN A 31 1.265 -9.169 -1.294 1.00 0.00 O ATOM 402 CB ASN A 31 0.986 -11.482 1.223 1.00 0.00 C ATOM 403 CG ASN A 31 0.082 -12.639 0.777 1.00 0.00 C ATOM 404 OD1 ASN A 31 0.566 -13.643 0.257 1.00 0.00 O ATOM 405 ND2 ASN A 31 -1.235 -12.505 0.962 1.00 0.00 N ATOM 0 H ASN A 31 2.441 -9.334 1.274 1.00 0.00 H new ATOM 0 HA ASN A 31 2.497 -11.870 -0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.561 -11.796 2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.363 -10.645 1.537 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.869 -13.248 0.669 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.606 -11.660 1.396 1.00 0.00 H new ATOM 412 N ASP A 32 0.524 -11.236 -1.828 1.00 0.00 N ATOM 413 CA ASP A 32 -0.384 -10.884 -2.914 1.00 0.00 C ATOM 414 C ASP A 32 -1.455 -9.894 -2.432 1.00 0.00 C ATOM 415 O ASP A 32 -1.581 -8.802 -2.985 1.00 0.00 O ATOM 416 CB ASP A 32 -1.030 -12.166 -3.469 1.00 0.00 C ATOM 417 CG ASP A 32 -0.007 -13.127 -4.079 1.00 0.00 C ATOM 418 OD1 ASP A 32 0.154 -13.151 -5.298 1.00 0.00 O ATOM 419 OD2 ASP A 32 0.678 -13.911 -3.196 1.00 0.00 O ATOM 0 H ASP A 32 0.584 -12.244 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 32 0.179 -10.395 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.566 -12.674 -2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.767 -11.898 -4.226 1.00 0.00 H new ATOM 425 N TYR A 33 -2.214 -10.281 -1.395 1.00 0.00 N ATOM 426 CA TYR A 33 -3.277 -9.482 -0.791 1.00 0.00 C ATOM 427 C TYR A 33 -2.726 -8.363 0.110 1.00 0.00 C ATOM 428 O TYR A 33 -3.366 -7.318 0.213 1.00 0.00 O ATOM 429 CB TYR A 33 -4.267 -10.388 -0.034 1.00 0.00 C ATOM 430 CG TYR A 33 -5.026 -11.363 -0.924 1.00 0.00 C ATOM 431 CD1 TYR A 33 -4.452 -12.609 -1.265 1.00 0.00 C ATOM 432 CD2 TYR A 33 -6.291 -11.010 -1.448 1.00 0.00 C ATOM 433 CE1 TYR A 33 -5.135 -13.494 -2.126 1.00 0.00 C ATOM 434 CE2 TYR A 33 -6.987 -11.907 -2.286 1.00 0.00 C ATOM 435 CZ TYR A 33 -6.403 -13.144 -2.637 1.00 0.00 C ATOM 436 OH TYR A 33 -7.062 -14.003 -3.470 1.00 0.00 O ATOM 0 H TYR A 33 -2.096 -11.188 -0.944 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.816 -8.986 -1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.721 -10.953 0.721 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.985 -9.761 0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.487 -12.885 -0.865 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.726 -10.051 -1.206 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.687 -14.440 -2.394 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.967 -11.647 -2.659 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.922 -13.611 -3.731 1.00 0.00 H new ATOM 446 N TYR A 34 -1.563 -8.566 0.758 1.00 0.00 N ATOM 447 CA TYR A 34 -0.927 -7.588 1.641 1.00 0.00 C ATOM 448 C TYR A 34 0.349 -7.059 0.976 1.00 0.00 C ATOM 449 O TYR A 34 1.461 -7.390 1.384 1.00 0.00 O ATOM 450 CB TYR A 34 -0.681 -8.209 3.034 1.00 0.00 C ATOM 451 CG TYR A 34 -0.288 -7.206 4.109 1.00 0.00 C ATOM 452 CD1 TYR A 34 -1.264 -6.338 4.651 1.00 0.00 C ATOM 453 CD2 TYR A 34 1.033 -7.171 4.613 1.00 0.00 C ATOM 454 CE1 TYR A 34 -0.934 -5.474 5.716 1.00 0.00 C ATOM 455 CE2 TYR A 34 1.363 -6.307 5.679 1.00 0.00 C ATOM 456 CZ TYR A 34 0.372 -5.480 6.251 1.00 0.00 C ATOM 457 OH TYR A 34 0.667 -4.696 7.329 1.00 0.00 O ATOM 0 H TYR A 34 -1.034 -9.434 0.676 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.584 -6.733 1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.585 -8.728 3.352 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.105 -8.960 2.950 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.266 -6.337 4.248 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.791 -7.807 4.181 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.681 -4.808 6.122 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.374 -6.278 6.057 1.00 0.00 H new ATOM 0 HH TYR A 34 1.613 -4.443 7.301 1.00 0.00 H new ATOM 467 N SER A 35 0.161 -6.204 -0.040 1.00 0.00 N ATOM 468 CA SER A 35 1.206 -5.344 -0.613 1.00 0.00 C ATOM 469 C SER A 35 1.061 -3.952 0.009 1.00 0.00 C ATOM 470 O SER A 35 0.018 -3.323 -0.162 1.00 0.00 O ATOM 471 CB SER A 35 1.162 -5.277 -2.153 1.00 0.00 C ATOM 472 OG SER A 35 1.061 -6.567 -2.718 1.00 0.00 O ATOM 0 H SER A 35 -0.744 -6.089 -0.497 1.00 0.00 H new ATOM 0 HA SER A 35 2.180 -5.773 -0.376 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.313 -4.671 -2.469 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.061 -4.784 -2.524 1.00 0.00 H new ATOM 0 HG SER A 35 1.944 -6.859 -3.026 1.00 0.00 H new ATOM 478 N GLN A 36 2.078 -3.507 0.765 1.00 0.00 N ATOM 479 CA GLN A 36 2.001 -2.391 1.707 1.00 0.00 C ATOM 480 C GLN A 36 2.922 -1.225 1.316 1.00 0.00 C ATOM 481 O GLN A 36 3.990 -1.431 0.742 1.00 0.00 O ATOM 482 CB GLN A 36 2.331 -2.930 3.110 1.00 0.00 C ATOM 483 CG GLN A 36 2.096 -1.885 4.212 1.00 0.00 C ATOM 484 CD GLN A 36 2.251 -2.467 5.617 1.00 0.00 C ATOM 485 OE1 GLN A 36 3.026 -3.397 5.834 1.00 0.00 O ATOM 486 NE2 GLN A 36 1.510 -1.921 6.585 1.00 0.00 N ATOM 0 H GLN A 36 3.005 -3.932 0.732 1.00 0.00 H new ATOM 0 HA GLN A 36 0.992 -1.978 1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.719 -3.809 3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.372 -3.253 3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.800 -1.063 4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.095 -1.468 4.104 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.877 -1.151 6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.577 -2.275 7.539 1.00 0.00 H new ATOM 495 N CYS A 37 2.506 0.002 1.669 1.00 0.00 N ATOM 496 CA CYS A 37 3.259 1.241 1.511 1.00 0.00 C ATOM 497 C CYS A 37 4.430 1.287 2.504 1.00 0.00 C ATOM 498 O CYS A 37 4.195 1.229 3.706 1.00 0.00 O ATOM 499 CB CYS A 37 2.316 2.437 1.696 1.00 0.00 C ATOM 500 SG CYS A 37 3.135 4.004 1.477 1.00 0.00 S ATOM 0 H CYS A 37 1.591 0.156 2.092 1.00 0.00 H new ATOM 0 HA CYS A 37 3.682 1.287 0.507 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.494 2.359 0.984 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.878 2.398 2.693 1.00 0.00 H new ATOM 505 N LEU A 38 5.677 1.377 2.012 1.00 0.00 N ATOM 506 CA LEU A 38 6.906 1.232 2.801 1.00 0.00 C ATOM 507 C LEU A 38 8.052 2.051 2.189 1.00 0.00 C ATOM 508 O LEU A 38 8.192 2.029 0.947 1.00 0.00 O ATOM 509 CB LEU A 38 7.326 -0.252 2.899 1.00 0.00 C ATOM 510 CG LEU A 38 6.331 -1.184 3.622 1.00 0.00 C ATOM 511 CD1 LEU A 38 6.819 -2.638 3.532 1.00 0.00 C ATOM 512 CD2 LEU A 38 6.150 -0.809 5.104 1.00 0.00 C ATOM 513 OXT LEU A 38 8.807 2.656 2.982 1.00 0.00 O ATOM 0 H LEU A 38 5.860 1.558 1.025 1.00 0.00 H new ATOM 0 HA LEU A 38 6.699 1.609 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.484 -0.633 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.285 -0.306 3.414 1.00 0.00 H new ATOM 0 HG LEU A 38 5.367 -1.071 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.113 -3.291 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.893 -2.933 2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.798 -2.723 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.441 -1.494 5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.110 -0.878 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.771 0.210 5.178 1.00 0.00 H new TER 525 LEU A 38