USER MOD reduce.3.24.130724 H: found=0, std=0, add=239, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 239 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.461 K(o=0.46,f=-7.3!) USER MOD Single : A 11 SER OG : rot -114:sc= -1.71 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -152:sc= -0.364 (180deg=-1.28) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= -1.42! F(o=-2.5,f=-1.4!) USER MOD Single : A 36 ASN : amide:sc= 0.294 K(o=0.29,f=-8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.593 4.987 7.145 1.00 1.00 N ATOM 2 CA ALA A 1 -11.530 4.527 5.734 1.00 1.00 C ATOM 3 C ALA A 1 -10.157 3.953 5.406 1.00 1.00 C ATOM 4 O ALA A 1 -9.130 4.550 5.728 1.00 1.00 O ATOM 5 CB ALA A 1 -11.860 5.675 4.791 1.00 1.00 C ATOM 0 H1 ALA A 1 -12.538 5.373 7.342 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.407 4.185 7.780 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.878 5.725 7.302 1.00 1.00 H new ATOM 0 HA ALA A 1 -12.268 3.736 5.602 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -11.810 5.325 3.760 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -12.865 6.042 5.002 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -11.142 6.482 4.935 1.00 1.00 H new ATOM 13 N CYS A 2 -10.146 2.789 4.764 1.00 1.00 N ATOM 14 CA CYS A 2 -8.898 2.132 4.393 1.00 1.00 C ATOM 15 C CYS A 2 -8.671 2.207 2.887 1.00 1.00 C ATOM 16 O CYS A 2 -9.588 2.510 2.124 1.00 1.00 O ATOM 17 CB CYS A 2 -8.910 0.673 4.848 1.00 1.00 C ATOM 18 SG CYS A 2 -10.271 -0.314 4.147 1.00 1.00 S ATOM 0 H CYS A 2 -10.987 2.282 4.490 1.00 1.00 H new ATOM 0 HA CYS A 2 -8.080 2.653 4.891 1.00 1.00 H new ATOM 0 HB2 CYS A 2 -7.962 0.211 4.574 1.00 1.00 H new ATOM 0 HB3 CYS A 2 -8.977 0.643 5.936 1.00 1.00 H new ATOM 23 N VAL A 3 -7.441 1.931 2.467 1.00 1.00 N ATOM 24 CA VAL A 3 -7.088 1.969 1.053 1.00 1.00 C ATOM 25 C VAL A 3 -7.439 0.657 0.359 1.00 1.00 C ATOM 26 O VAL A 3 -7.400 -0.410 0.972 1.00 1.00 O ATOM 27 CB VAL A 3 -5.588 2.256 0.857 1.00 1.00 C ATOM 28 CG1 VAL A 3 -5.238 3.646 1.363 1.00 1.00 C ATOM 29 CG2 VAL A 3 -4.747 1.198 1.556 1.00 1.00 C ATOM 0 H VAL A 3 -6.671 1.678 3.087 1.00 1.00 H new ATOM 0 HA VAL A 3 -7.667 2.777 0.606 1.00 1.00 H new ATOM 0 HB VAL A 3 -5.366 2.218 -0.210 1.00 1.00 H new ATOM 0 HG11 VAL A 3 -4.174 3.830 1.216 1.00 1.00 H new ATOM 0 HG12 VAL A 3 -5.814 4.389 0.812 1.00 1.00 H new ATOM 0 HG13 VAL A 3 -5.475 3.717 2.425 1.00 1.00 H new ATOM 0 HG21 VAL A 3 -3.690 1.417 1.407 1.00 1.00 H new ATOM 0 HG22 VAL A 3 -4.971 1.201 2.623 1.00 1.00 H new ATOM 0 HG23 VAL A 3 -4.977 0.217 1.140 1.00 1.00 H new ATOM 39 N GLY A 4 -7.782 0.744 -0.922 1.00 1.00 N ATOM 40 CA GLY A 4 -8.137 -0.443 -1.679 1.00 1.00 C ATOM 41 C GLY A 4 -6.923 -1.223 -2.145 1.00 1.00 C ATOM 42 O GLY A 4 -5.831 -1.072 -1.598 1.00 1.00 O ATOM 0 H GLY A 4 -7.821 1.616 -1.450 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -8.764 -1.088 -1.063 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -8.732 -0.153 -2.545 1.00 1.00 H new ATOM 46 N ASP A 5 -7.117 -2.063 -3.157 1.00 1.00 N ATOM 47 CA ASP A 5 -6.033 -2.874 -3.699 1.00 1.00 C ATOM 48 C ASP A 5 -5.182 -2.068 -4.677 1.00 1.00 C ATOM 49 O ASP A 5 -5.705 -1.304 -5.488 1.00 1.00 O ATOM 50 CB ASP A 5 -6.595 -4.114 -4.396 1.00 1.00 C ATOM 51 CG ASP A 5 -5.658 -5.303 -4.307 1.00 1.00 C ATOM 52 OD1 ASP A 5 -5.426 -5.792 -3.181 1.00 1.00 O ATOM 53 OD2 ASP A 5 -5.156 -5.744 -5.362 1.00 1.00 O ATOM 0 H ASP A 5 -8.016 -2.200 -3.619 1.00 1.00 H new ATOM 0 HA ASP A 5 -5.399 -3.187 -2.869 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -7.553 -4.376 -3.948 1.00 1.00 H new ATOM 0 HB3 ASP A 5 -6.786 -3.883 -5.444 1.00 1.00 H new ATOM 58 N GLY A 6 -3.867 -2.244 -4.592 1.00 1.00 N ATOM 59 CA GLY A 6 -2.959 -1.528 -5.471 1.00 1.00 C ATOM 60 C GLY A 6 -2.918 -0.037 -5.187 1.00 1.00 C ATOM 61 O GLY A 6 -2.341 0.730 -5.959 1.00 1.00 O ATOM 0 H GLY A 6 -3.413 -2.871 -3.928 1.00 1.00 H new ATOM 0 HA2 GLY A 6 -1.956 -1.941 -5.364 1.00 1.00 H new ATOM 0 HA3 GLY A 6 -3.261 -1.688 -6.506 1.00 1.00 H new ATOM 65 N GLN A 7 -3.530 0.377 -4.081 1.00 1.00 N ATOM 66 CA GLN A 7 -3.559 1.786 -3.703 1.00 1.00 C ATOM 67 C GLN A 7 -2.182 2.269 -3.258 1.00 1.00 C ATOM 68 O GLN A 7 -1.557 1.667 -2.384 1.00 1.00 O ATOM 69 CB GLN A 7 -4.574 2.012 -2.583 1.00 1.00 C ATOM 70 CG GLN A 7 -5.213 3.391 -2.608 1.00 1.00 C ATOM 71 CD GLN A 7 -6.656 3.358 -3.072 1.00 1.00 C ATOM 72 OE1 GLN A 7 -7.309 2.316 -3.033 1.00 1.00 O ATOM 73 NE2 GLN A 7 -7.162 4.504 -3.515 1.00 1.00 N ATOM 0 H GLN A 7 -4.012 -0.244 -3.431 1.00 1.00 H new ATOM 0 HA GLN A 7 -3.855 2.361 -4.581 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -5.357 1.257 -2.656 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -4.080 1.867 -1.622 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -5.166 3.827 -1.610 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -4.638 4.042 -3.267 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -6.584 5.345 -3.530 1.00 1.00 H new ATOM 0 HE22 GLN A 7 -8.128 4.543 -3.840 1.00 1.00 H new ATOM 82 N ARG A 8 -1.718 3.363 -3.855 1.00 1.00 N ATOM 83 CA ARG A 8 -0.420 3.929 -3.505 1.00 1.00 C ATOM 84 C ARG A 8 -0.464 4.545 -2.111 1.00 1.00 C ATOM 85 O ARG A 8 -1.124 5.561 -1.893 1.00 1.00 O ATOM 86 CB ARG A 8 0.003 4.985 -4.530 1.00 1.00 C ATOM 87 CG ARG A 8 0.927 4.448 -5.611 1.00 1.00 C ATOM 88 CD ARG A 8 0.159 4.079 -6.870 1.00 1.00 C ATOM 89 NE ARG A 8 0.680 2.865 -7.493 1.00 1.00 N ATOM 90 CZ ARG A 8 1.839 2.803 -8.144 1.00 1.00 C ATOM 91 NH1 ARG A 8 2.601 3.884 -8.260 1.00 1.00 N ATOM 92 NH2 ARG A 8 2.237 1.658 -8.681 1.00 1.00 N ATOM 0 H ARG A 8 -2.220 3.874 -4.581 1.00 1.00 H new ATOM 0 HA ARG A 8 0.314 3.123 -3.511 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -0.888 5.401 -4.999 1.00 1.00 H new ATOM 0 HB3 ARG A 8 0.502 5.804 -4.011 1.00 1.00 H new ATOM 0 HG2 ARG A 8 1.682 5.197 -5.851 1.00 1.00 H new ATOM 0 HG3 ARG A 8 1.456 3.571 -5.236 1.00 1.00 H new ATOM 0 HD2 ARG A 8 -0.893 3.937 -6.624 1.00 1.00 H new ATOM 0 HD3 ARG A 8 0.212 4.903 -7.582 1.00 1.00 H new ATOM 0 HE ARG A 8 0.122 2.014 -7.425 1.00 1.00 H new ATOM 0 HH11 ARG A 8 2.299 4.767 -7.849 1.00 1.00 H new ATOM 0 HH12 ARG A 8 3.488 3.831 -8.760 1.00 1.00 H new ATOM 0 HH21 ARG A 8 1.655 0.825 -8.595 1.00 1.00 H new ATOM 0 HH22 ARG A 8 3.125 1.610 -9.180 1.00 1.00 H new ATOM 106 N CYS A 9 0.241 3.927 -1.168 1.00 1.00 N ATOM 107 CA CYS A 9 0.277 4.420 0.206 1.00 1.00 C ATOM 108 C CYS A 9 0.668 5.895 0.244 1.00 1.00 C ATOM 109 O CYS A 9 1.552 6.330 -0.493 1.00 1.00 O ATOM 110 CB CYS A 9 1.257 3.595 1.043 1.00 1.00 C ATOM 111 SG CYS A 9 0.589 1.994 1.605 1.00 1.00 S ATOM 0 H CYS A 9 0.794 3.085 -1.329 1.00 1.00 H new ATOM 0 HA CYS A 9 -0.722 4.317 0.629 1.00 1.00 H new ATOM 0 HB2 CYS A 9 2.158 3.415 0.456 1.00 1.00 H new ATOM 0 HB3 CYS A 9 1.555 4.178 1.914 1.00 1.00 H new ATOM 116 N ALA A 10 -0.001 6.659 1.104 1.00 1.00 N ATOM 117 CA ALA A 10 0.271 8.089 1.237 1.00 1.00 C ATOM 118 C ALA A 10 1.768 8.366 1.332 1.00 1.00 C ATOM 119 O ALA A 10 2.518 7.563 1.884 1.00 1.00 O ATOM 120 CB ALA A 10 -0.448 8.651 2.454 1.00 1.00 C ATOM 0 H ALA A 10 -0.736 6.312 1.720 1.00 1.00 H new ATOM 0 HA ALA A 10 -0.104 8.585 0.342 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -0.237 9.717 2.541 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -1.522 8.502 2.343 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -0.101 8.138 3.351 1.00 1.00 H new ATOM 126 N SER A 11 2.186 9.515 0.794 1.00 1.00 N ATOM 127 CA SER A 11 3.587 9.933 0.804 1.00 1.00 C ATOM 128 C SER A 11 4.545 8.743 0.687 1.00 1.00 C ATOM 129 O SER A 11 4.927 8.352 -0.416 1.00 1.00 O ATOM 130 CB SER A 11 3.865 10.741 2.066 1.00 1.00 C ATOM 131 OG SER A 11 5.215 10.617 2.483 1.00 1.00 O ATOM 0 H SER A 11 1.561 10.181 0.339 1.00 1.00 H new ATOM 0 HA SER A 11 3.764 10.558 -0.071 1.00 1.00 H new ATOM 0 HB2 SER A 11 3.636 11.791 1.883 1.00 1.00 H new ATOM 0 HB3 SER A 11 3.205 10.405 2.866 1.00 1.00 H new ATOM 0 HG SER A 11 5.250 10.146 3.342 1.00 1.00 H new ATOM 137 N TRP A 12 4.927 8.169 1.826 1.00 1.00 N ATOM 138 CA TRP A 12 5.834 7.026 1.839 1.00 1.00 C ATOM 139 C TRP A 12 5.287 5.904 2.721 1.00 1.00 C ATOM 140 O TRP A 12 5.472 4.724 2.423 1.00 1.00 O ATOM 141 CB TRP A 12 7.229 7.441 2.325 1.00 1.00 C ATOM 142 CG TRP A 12 7.234 8.681 3.170 1.00 1.00 C ATOM 143 CD1 TRP A 12 6.610 8.858 4.372 1.00 1.00 C ATOM 144 CD2 TRP A 12 7.897 9.916 2.876 1.00 1.00 C ATOM 145 NE1 TRP A 12 6.844 10.128 4.842 1.00 1.00 N ATOM 146 CE2 TRP A 12 7.631 10.796 3.941 1.00 1.00 C ATOM 147 CE3 TRP A 12 8.689 10.363 1.814 1.00 1.00 C ATOM 148 CZ2 TRP A 12 8.130 12.096 3.976 1.00 1.00 C ATOM 149 CZ3 TRP A 12 9.184 11.653 1.849 1.00 1.00 C ATOM 150 CH2 TRP A 12 8.903 12.506 2.924 1.00 1.00 C ATOM 0 H TRP A 12 4.623 8.477 2.750 1.00 1.00 H new ATOM 0 HA TRP A 12 5.915 6.657 0.817 1.00 1.00 H new ATOM 0 HB2 TRP A 12 7.662 6.621 2.898 1.00 1.00 H new ATOM 0 HB3 TRP A 12 7.872 7.600 1.460 1.00 1.00 H new ATOM 0 HD1 TRP A 12 6.019 8.109 4.879 1.00 1.00 H new ATOM 0 HE1 TRP A 12 6.490 10.511 5.719 1.00 1.00 H new ATOM 0 HE3 TRP A 12 8.910 9.712 0.981 1.00 1.00 H new ATOM 0 HZ2 TRP A 12 7.915 12.756 4.803 1.00 1.00 H new ATOM 0 HZ3 TRP A 12 9.797 12.009 1.034 1.00 1.00 H new ATOM 0 HH2 TRP A 12 9.305 13.508 2.922 1.00 1.00 H new ATOM 161 N SER A 13 4.613 6.277 3.805 1.00 1.00 N ATOM 162 CA SER A 13 4.041 5.301 4.725 1.00 1.00 C ATOM 163 C SER A 13 3.276 5.996 5.847 1.00 1.00 C ATOM 164 O SER A 13 3.709 6.002 6.999 1.00 1.00 O ATOM 165 CB SER A 13 5.143 4.416 5.313 1.00 1.00 C ATOM 166 OG SER A 13 6.321 5.163 5.561 1.00 1.00 O ATOM 0 H SER A 13 4.450 7.249 4.067 1.00 1.00 H new ATOM 0 HA SER A 13 3.343 4.676 4.167 1.00 1.00 H new ATOM 0 HB2 SER A 13 4.794 3.964 6.241 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.364 3.600 4.625 1.00 1.00 H new ATOM 0 HG SER A 13 7.008 4.575 5.938 1.00 1.00 H new ATOM 172 N GLY A 14 2.135 6.585 5.501 1.00 1.00 N ATOM 173 CA GLY A 14 1.329 7.278 6.488 1.00 1.00 C ATOM 174 C GLY A 14 0.160 6.448 6.977 1.00 1.00 C ATOM 175 O GLY A 14 0.234 5.838 8.044 1.00 1.00 O ATOM 0 H GLY A 14 1.755 6.594 4.554 1.00 1.00 H new ATOM 0 HA2 GLY A 14 1.956 7.550 7.337 1.00 1.00 H new ATOM 0 HA3 GLY A 14 0.955 8.207 6.058 1.00 1.00 H new ATOM 179 N PRO A 15 -0.945 6.409 6.216 1.00 1.00 N ATOM 180 CA PRO A 15 -2.133 5.645 6.596 1.00 1.00 C ATOM 181 C PRO A 15 -1.904 4.140 6.527 1.00 1.00 C ATOM 182 O PRO A 15 -0.902 3.678 5.983 1.00 1.00 O ATOM 183 CB PRO A 15 -3.181 6.077 5.568 1.00 1.00 C ATOM 184 CG PRO A 15 -2.392 6.517 4.385 1.00 1.00 C ATOM 185 CD PRO A 15 -1.123 7.111 4.932 1.00 1.00 C ATOM 0 HA PRO A 15 -2.426 5.838 7.628 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -3.849 5.254 5.314 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -3.803 6.886 5.952 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -2.177 5.677 3.725 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -2.945 7.250 3.798 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -0.279 6.944 4.262 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.211 8.188 5.072 1.00 1.00 H new ATOM 193 N TYR A 16 -2.842 3.379 7.084 1.00 1.00 N ATOM 194 CA TYR A 16 -2.744 1.925 7.087 1.00 1.00 C ATOM 195 C TYR A 16 -3.559 1.322 5.946 1.00 1.00 C ATOM 196 O TYR A 16 -4.009 2.033 5.048 1.00 1.00 O ATOM 197 CB TYR A 16 -3.226 1.364 8.426 1.00 1.00 C ATOM 198 CG TYR A 16 -2.686 2.109 9.626 1.00 1.00 C ATOM 199 CD1 TYR A 16 -1.402 1.867 10.098 1.00 1.00 C ATOM 200 CD2 TYR A 16 -3.461 3.054 10.288 1.00 1.00 C ATOM 201 CE1 TYR A 16 -0.905 2.545 11.195 1.00 1.00 C ATOM 202 CE2 TYR A 16 -2.971 3.737 11.385 1.00 1.00 C ATOM 203 CZ TYR A 16 -1.693 3.479 11.834 1.00 1.00 C ATOM 204 OH TYR A 16 -1.202 4.157 12.926 1.00 1.00 O ATOM 0 H TYR A 16 -3.678 3.746 7.539 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.698 1.656 6.943 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -4.315 1.393 8.451 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -2.933 0.316 8.498 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -0.782 1.137 9.599 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -4.463 3.258 9.939 1.00 1.00 H new ATOM 0 HE1 TYR A 16 0.095 2.344 11.550 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -3.586 4.469 11.888 1.00 1.00 H new ATOM 0 HH TYR A 16 -1.883 4.779 13.258 1.00 1.00 H new ATOM 214 N CYS A 17 -3.743 0.006 5.989 1.00 1.00 N ATOM 215 CA CYS A 17 -4.503 -0.695 4.961 1.00 1.00 C ATOM 216 C CYS A 17 -5.750 -1.341 5.550 1.00 1.00 C ATOM 217 O CYS A 17 -5.888 -1.456 6.768 1.00 1.00 O ATOM 218 CB CYS A 17 -3.629 -1.758 4.290 1.00 1.00 C ATOM 219 SG CYS A 17 -3.675 -1.716 2.469 1.00 1.00 S ATOM 0 H CYS A 17 -3.376 -0.596 6.726 1.00 1.00 H new ATOM 0 HA CYS A 17 -4.816 0.034 4.214 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -2.598 -1.627 4.620 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -3.949 -2.743 4.628 1.00 1.00 H new ATOM 224 N CYS A 18 -6.656 -1.762 4.674 1.00 1.00 N ATOM 225 CA CYS A 18 -7.896 -2.398 5.094 1.00 1.00 C ATOM 226 C CYS A 18 -7.621 -3.568 6.030 1.00 1.00 C ATOM 227 O CYS A 18 -6.476 -3.839 6.390 1.00 1.00 O ATOM 228 CB CYS A 18 -8.681 -2.884 3.873 1.00 1.00 C ATOM 229 SG CYS A 18 -9.341 -1.545 2.828 1.00 1.00 S ATOM 0 H CYS A 18 -6.552 -1.673 3.663 1.00 1.00 H new ATOM 0 HA CYS A 18 -8.489 -1.658 5.632 1.00 1.00 H new ATOM 0 HB2 CYS A 18 -8.033 -3.517 3.267 1.00 1.00 H new ATOM 0 HB3 CYS A 18 -9.509 -3.507 4.212 1.00 1.00 H new ATOM 234 N ASP A 19 -8.683 -4.257 6.415 1.00 1.00 N ATOM 235 CA ASP A 19 -8.572 -5.403 7.309 1.00 1.00 C ATOM 236 C ASP A 19 -8.183 -6.658 6.537 1.00 1.00 C ATOM 237 O ASP A 19 -9.039 -7.458 6.157 1.00 1.00 O ATOM 238 CB ASP A 19 -9.893 -5.633 8.046 1.00 1.00 C ATOM 239 CG ASP A 19 -9.694 -6.275 9.404 1.00 1.00 C ATOM 240 OD1 ASP A 19 -9.366 -5.545 10.363 1.00 1.00 O ATOM 241 OD2 ASP A 19 -9.865 -7.508 9.509 1.00 1.00 O ATOM 0 H ASP A 19 -9.636 -4.043 6.122 1.00 1.00 H new ATOM 0 HA ASP A 19 -7.790 -5.189 8.038 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -10.407 -4.680 8.170 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -10.539 -6.267 7.439 1.00 1.00 H new ATOM 246 N GLY A 20 -6.885 -6.825 6.307 1.00 1.00 N ATOM 247 CA GLY A 20 -6.404 -7.985 5.580 1.00 1.00 C ATOM 248 C GLY A 20 -5.303 -7.641 4.596 1.00 1.00 C ATOM 249 O GLY A 20 -4.470 -8.485 4.267 1.00 1.00 O ATOM 0 H GLY A 20 -6.158 -6.178 6.611 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.034 -8.726 6.289 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -7.235 -8.444 5.044 1.00 1.00 H new ATOM 253 N TYR A 21 -5.299 -6.398 4.123 1.00 1.00 N ATOM 254 CA TYR A 21 -4.290 -5.949 3.170 1.00 1.00 C ATOM 255 C TYR A 21 -3.087 -5.350 3.892 1.00 1.00 C ATOM 256 O TYR A 21 -3.127 -5.119 5.101 1.00 1.00 O ATOM 257 CB TYR A 21 -4.884 -4.915 2.208 1.00 1.00 C ATOM 258 CG TYR A 21 -6.207 -5.322 1.585 1.00 1.00 C ATOM 259 CD1 TYR A 21 -6.671 -6.633 1.660 1.00 1.00 C ATOM 260 CD2 TYR A 21 -6.992 -4.390 0.917 1.00 1.00 C ATOM 261 CE1 TYR A 21 -7.874 -6.999 1.089 1.00 1.00 C ATOM 262 CE2 TYR A 21 -8.197 -4.749 0.344 1.00 1.00 C ATOM 263 CZ TYR A 21 -8.633 -6.054 0.433 1.00 1.00 C ATOM 264 OH TYR A 21 -9.833 -6.415 -0.137 1.00 1.00 O ATOM 0 H TYR A 21 -5.981 -5.686 4.383 1.00 1.00 H new ATOM 0 HA TYR A 21 -3.958 -6.817 2.600 1.00 1.00 H new ATOM 0 HB2 TYR A 21 -5.023 -3.976 2.744 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -4.165 -4.724 1.411 1.00 1.00 H new ATOM 0 HD1 TYR A 21 -6.080 -7.376 2.174 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -6.654 -3.367 0.844 1.00 1.00 H new ATOM 0 HE1 TYR A 21 -8.218 -8.020 1.156 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -8.794 -4.011 -0.171 1.00 1.00 H new ATOM 0 HH TYR A 21 -10.243 -5.632 -0.559 1.00 1.00 H new ATOM 274 N TYR A 22 -2.021 -5.093 3.140 1.00 1.00 N ATOM 275 CA TYR A 22 -0.805 -4.514 3.695 1.00 1.00 C ATOM 276 C TYR A 22 -0.241 -3.458 2.752 1.00 1.00 C ATOM 277 O TYR A 22 -0.734 -3.282 1.639 1.00 1.00 O ATOM 278 CB TYR A 22 0.249 -5.598 3.937 1.00 1.00 C ATOM 279 CG TYR A 22 -0.276 -6.822 4.655 1.00 1.00 C ATOM 280 CD1 TYR A 22 -1.038 -6.702 5.810 1.00 1.00 C ATOM 281 CD2 TYR A 22 -0.002 -8.098 4.180 1.00 1.00 C ATOM 282 CE1 TYR A 22 -1.514 -7.818 6.470 1.00 1.00 C ATOM 283 CE2 TYR A 22 -0.473 -9.220 4.835 1.00 1.00 C ATOM 284 CZ TYR A 22 -1.229 -9.075 5.979 1.00 1.00 C ATOM 285 OH TYR A 22 -1.700 -10.189 6.634 1.00 1.00 O ATOM 0 H TYR A 22 -1.976 -5.279 2.138 1.00 1.00 H new ATOM 0 HA TYR A 22 -1.058 -4.047 4.647 1.00 1.00 H new ATOM 0 HB2 TYR A 22 0.666 -5.904 2.978 1.00 1.00 H new ATOM 0 HB3 TYR A 22 1.066 -5.171 4.519 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -1.262 -5.720 6.199 1.00 1.00 H new ATOM 0 HD2 TYR A 22 0.589 -8.215 3.284 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -2.106 -7.707 7.366 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -0.250 -10.205 4.453 1.00 1.00 H new ATOM 0 HH TYR A 22 -1.411 -10.995 6.157 1.00 1.00 H new ATOM 295 N CYS A 23 0.799 -2.763 3.201 1.00 1.00 N ATOM 296 CA CYS A 23 1.433 -1.729 2.391 1.00 1.00 C ATOM 297 C CYS A 23 2.817 -2.175 1.931 1.00 1.00 C ATOM 298 O CYS A 23 3.727 -2.345 2.743 1.00 1.00 O ATOM 299 CB CYS A 23 1.540 -0.422 3.180 1.00 1.00 C ATOM 300 SG CYS A 23 2.229 0.970 2.227 1.00 1.00 S ATOM 0 H CYS A 23 1.220 -2.897 4.120 1.00 1.00 H new ATOM 0 HA CYS A 23 0.812 -1.560 1.511 1.00 1.00 H new ATOM 0 HB2 CYS A 23 0.549 -0.146 3.541 1.00 1.00 H new ATOM 0 HB3 CYS A 23 2.163 -0.591 4.058 1.00 1.00 H new ATOM 305 N SER A 24 2.969 -2.363 0.624 1.00 1.00 N ATOM 306 CA SER A 24 4.242 -2.788 0.056 1.00 1.00 C ATOM 307 C SER A 24 5.047 -1.586 -0.420 1.00 1.00 C ATOM 308 O SER A 24 4.511 -0.488 -0.566 1.00 1.00 O ATOM 309 CB SER A 24 4.009 -3.756 -1.106 1.00 1.00 C ATOM 310 OG SER A 24 4.021 -5.101 -0.660 1.00 1.00 O ATOM 0 H SER A 24 2.226 -2.228 -0.061 1.00 1.00 H new ATOM 0 HA SER A 24 4.809 -3.299 0.834 1.00 1.00 H new ATOM 0 HB2 SER A 24 3.053 -3.536 -1.581 1.00 1.00 H new ATOM 0 HB3 SER A 24 4.781 -3.614 -1.862 1.00 1.00 H new ATOM 0 HG SER A 24 3.868 -5.699 -1.421 1.00 1.00 H new ATOM 316 N CYS A 25 6.337 -1.798 -0.659 1.00 1.00 N ATOM 317 CA CYS A 25 7.210 -0.725 -1.117 1.00 1.00 C ATOM 318 C CYS A 25 8.350 -1.273 -1.970 1.00 1.00 C ATOM 319 O CYS A 25 9.519 -1.199 -1.588 1.00 1.00 O ATOM 320 CB CYS A 25 7.771 0.046 0.080 1.00 1.00 C ATOM 321 SG CYS A 25 6.493 0.754 1.169 1.00 1.00 S ATOM 0 H CYS A 25 6.799 -2.700 -0.543 1.00 1.00 H new ATOM 0 HA CYS A 25 6.620 -0.047 -1.733 1.00 1.00 H new ATOM 0 HB2 CYS A 25 8.404 -0.622 0.665 1.00 1.00 H new ATOM 0 HB3 CYS A 25 8.409 0.851 -0.286 1.00 1.00 H new ATOM 326 N ARG A 26 8.002 -1.821 -3.129 1.00 1.00 N ATOM 327 CA ARG A 26 8.995 -2.378 -4.040 1.00 1.00 C ATOM 328 C ARG A 26 9.888 -1.276 -4.602 1.00 1.00 C ATOM 329 O ARG A 26 9.926 -0.166 -4.070 1.00 1.00 O ATOM 330 CB ARG A 26 8.303 -3.131 -5.180 1.00 1.00 C ATOM 331 CG ARG A 26 8.930 -4.481 -5.486 1.00 1.00 C ATOM 332 CD ARG A 26 8.358 -5.085 -6.758 1.00 1.00 C ATOM 333 NE ARG A 26 7.032 -5.660 -6.543 1.00 1.00 N ATOM 334 CZ ARG A 26 6.392 -6.404 -7.442 1.00 1.00 C ATOM 335 NH1 ARG A 26 6.953 -6.667 -8.617 1.00 1.00 N ATOM 336 NH2 ARG A 26 5.189 -6.888 -7.167 1.00 1.00 N ATOM 0 H ARG A 26 7.040 -1.891 -3.460 1.00 1.00 H new ATOM 0 HA ARG A 26 9.620 -3.077 -3.483 1.00 1.00 H new ATOM 0 HB2 ARG A 26 7.254 -3.277 -4.924 1.00 1.00 H new ATOM 0 HB3 ARG A 26 8.329 -2.516 -6.079 1.00 1.00 H new ATOM 0 HG2 ARG A 26 10.009 -4.367 -5.589 1.00 1.00 H new ATOM 0 HG3 ARG A 26 8.760 -5.160 -4.651 1.00 1.00 H new ATOM 0 HD2 ARG A 26 8.299 -4.317 -7.529 1.00 1.00 H new ATOM 0 HD3 ARG A 26 9.032 -5.857 -7.128 1.00 1.00 H new ATOM 0 HE ARG A 26 6.570 -5.481 -5.652 1.00 1.00 H new ATOM 0 HH11 ARG A 26 7.879 -6.298 -8.834 1.00 1.00 H new ATOM 0 HH12 ARG A 26 6.458 -7.238 -9.302 1.00 1.00 H new ATOM 0 HH21 ARG A 26 4.753 -6.690 -6.266 1.00 1.00 H new ATOM 0 HH22 ARG A 26 4.699 -7.458 -7.856 1.00 1.00 H new ATOM 350 N SER A 27 10.607 -1.586 -5.677 1.00 1.00 N ATOM 351 CA SER A 27 11.497 -0.619 -6.306 1.00 1.00 C ATOM 352 C SER A 27 10.711 0.567 -6.856 1.00 1.00 C ATOM 353 O SER A 27 10.433 0.640 -8.053 1.00 1.00 O ATOM 354 CB SER A 27 12.293 -1.284 -7.431 1.00 1.00 C ATOM 355 OG SER A 27 13.518 -1.807 -6.949 1.00 1.00 O ATOM 0 H SER A 27 10.590 -2.500 -6.130 1.00 1.00 H new ATOM 0 HA SER A 27 12.189 -0.253 -5.548 1.00 1.00 H new ATOM 0 HB2 SER A 27 11.702 -2.085 -7.875 1.00 1.00 H new ATOM 0 HB3 SER A 27 12.489 -0.558 -8.220 1.00 1.00 H new ATOM 0 HG SER A 27 14.007 -2.228 -7.687 1.00 1.00 H new ATOM 361 N MET A 28 10.355 1.495 -5.973 1.00 1.00 N ATOM 362 CA MET A 28 9.600 2.678 -6.368 1.00 1.00 C ATOM 363 C MET A 28 9.551 3.696 -5.230 1.00 1.00 C ATOM 364 O MET A 28 9.676 3.336 -4.059 1.00 1.00 O ATOM 365 CB MET A 28 8.179 2.288 -6.783 1.00 1.00 C ATOM 366 CG MET A 28 8.007 2.126 -8.285 1.00 1.00 C ATOM 367 SD MET A 28 6.935 3.384 -9.006 1.00 1.00 S ATOM 368 CE MET A 28 8.102 4.276 -10.031 1.00 1.00 C ATOM 0 H MET A 28 10.578 1.450 -4.979 1.00 1.00 H new ATOM 0 HA MET A 28 10.105 3.135 -7.219 1.00 1.00 H new ATOM 0 HB2 MET A 28 7.910 1.353 -6.292 1.00 1.00 H new ATOM 0 HB3 MET A 28 7.484 3.048 -6.426 1.00 1.00 H new ATOM 0 HG2 MET A 28 8.985 2.170 -8.765 1.00 1.00 H new ATOM 0 HG3 MET A 28 7.593 1.139 -8.494 1.00 1.00 H new ATOM 0 HE1 MET A 28 7.774 5.310 -10.140 1.00 1.00 H new ATOM 0 HE2 MET A 28 9.087 4.255 -9.564 1.00 1.00 H new ATOM 0 HE3 MET A 28 8.156 3.807 -11.013 1.00 1.00 H new ATOM 378 N PRO A 29 9.368 4.985 -5.561 1.00 1.00 N ATOM 379 CA PRO A 29 9.306 6.056 -4.562 1.00 1.00 C ATOM 380 C PRO A 29 7.996 6.047 -3.780 1.00 1.00 C ATOM 381 O PRO A 29 7.976 6.325 -2.581 1.00 1.00 O ATOM 382 CB PRO A 29 9.417 7.327 -5.403 1.00 1.00 C ATOM 383 CG PRO A 29 8.859 6.950 -6.731 1.00 1.00 C ATOM 384 CD PRO A 29 9.212 5.501 -6.935 1.00 1.00 C ATOM 0 HA PRO A 29 10.086 5.956 -3.807 1.00 1.00 H new ATOM 0 HB2 PRO A 29 8.856 8.148 -4.956 1.00 1.00 H new ATOM 0 HB3 PRO A 29 10.452 7.657 -5.487 1.00 1.00 H new ATOM 0 HG2 PRO A 29 7.779 7.095 -6.756 1.00 1.00 H new ATOM 0 HG3 PRO A 29 9.282 7.569 -7.522 1.00 1.00 H new ATOM 0 HD2 PRO A 29 8.429 4.970 -7.476 1.00 1.00 H new ATOM 0 HD3 PRO A 29 10.130 5.389 -7.512 1.00 1.00 H new ATOM 392 N TYR A 30 6.903 5.730 -4.467 1.00 1.00 N ATOM 393 CA TYR A 30 5.589 5.689 -3.834 1.00 1.00 C ATOM 394 C TYR A 30 5.218 4.265 -3.434 1.00 1.00 C ATOM 395 O TYR A 30 5.178 3.365 -4.272 1.00 1.00 O ATOM 396 CB TYR A 30 4.526 6.257 -4.780 1.00 1.00 C ATOM 397 CG TYR A 30 3.657 7.329 -4.156 1.00 1.00 C ATOM 398 CD1 TYR A 30 3.367 7.319 -2.796 1.00 1.00 C ATOM 399 CD2 TYR A 30 3.126 8.353 -4.931 1.00 1.00 C ATOM 400 CE1 TYR A 30 2.574 8.298 -2.229 1.00 1.00 C ATOM 401 CE2 TYR A 30 2.332 9.335 -4.370 1.00 1.00 C ATOM 402 CZ TYR A 30 2.060 9.303 -3.019 1.00 1.00 C ATOM 403 OH TYR A 30 1.270 10.280 -2.457 1.00 1.00 O ATOM 0 H TYR A 30 6.901 5.498 -5.460 1.00 1.00 H new ATOM 0 HA TYR A 30 5.631 6.300 -2.933 1.00 1.00 H new ATOM 0 HB2 TYR A 30 5.020 6.670 -5.659 1.00 1.00 H new ATOM 0 HB3 TYR A 30 3.889 5.443 -5.125 1.00 1.00 H new ATOM 0 HD1 TYR A 30 3.768 6.533 -2.173 1.00 1.00 H new ATOM 0 HD2 TYR A 30 3.337 8.382 -5.990 1.00 1.00 H new ATOM 0 HE1 TYR A 30 2.358 8.276 -1.171 1.00 1.00 H new ATOM 0 HE2 TYR A 30 1.927 10.123 -4.987 1.00 1.00 H new ATOM 0 HH TYR A 30 0.990 10.913 -3.150 1.00 1.00 H new ATOM 413 N CYS A 31 4.939 4.070 -2.149 1.00 1.00 N ATOM 414 CA CYS A 31 4.564 2.771 -1.636 1.00 1.00 C ATOM 415 C CYS A 31 3.156 2.405 -2.094 1.00 1.00 C ATOM 416 O CYS A 31 2.393 3.269 -2.527 1.00 1.00 O ATOM 417 CB CYS A 31 4.644 2.798 -0.115 1.00 1.00 C ATOM 418 SG CYS A 31 6.339 2.679 0.544 1.00 1.00 S ATOM 0 H CYS A 31 4.968 4.807 -1.444 1.00 1.00 H new ATOM 0 HA CYS A 31 5.248 2.014 -2.020 1.00 1.00 H new ATOM 0 HB2 CYS A 31 4.190 3.721 0.246 1.00 1.00 H new ATOM 0 HB3 CYS A 31 4.052 1.974 0.284 1.00 1.00 H new ATOM 423 N ARG A 32 2.813 1.123 -2.008 1.00 1.00 N ATOM 424 CA ARG A 32 1.493 0.664 -2.428 1.00 1.00 C ATOM 425 C ARG A 32 0.832 -0.191 -1.356 1.00 1.00 C ATOM 426 O ARG A 32 1.451 -0.542 -0.352 1.00 1.00 O ATOM 427 CB ARG A 32 1.590 -0.129 -3.735 1.00 1.00 C ATOM 428 CG ARG A 32 2.879 -0.924 -3.878 1.00 1.00 C ATOM 429 CD ARG A 32 2.745 -2.024 -4.920 1.00 1.00 C ATOM 430 NE ARG A 32 3.831 -1.987 -5.896 1.00 1.00 N ATOM 431 CZ ARG A 32 3.907 -2.794 -6.952 1.00 1.00 C ATOM 432 NH1 ARG A 32 2.964 -3.702 -7.171 1.00 1.00 N ATOM 433 NH2 ARG A 32 4.928 -2.693 -7.791 1.00 1.00 N ATOM 0 H ARG A 32 3.426 0.388 -1.654 1.00 1.00 H new ATOM 0 HA ARG A 32 0.876 1.548 -2.588 1.00 1.00 H new ATOM 0 HB2 ARG A 32 0.744 -0.813 -3.797 1.00 1.00 H new ATOM 0 HB3 ARG A 32 1.505 0.561 -4.575 1.00 1.00 H new ATOM 0 HG2 ARG A 32 3.692 -0.254 -4.158 1.00 1.00 H new ATOM 0 HG3 ARG A 32 3.145 -1.363 -2.916 1.00 1.00 H new ATOM 0 HD2 ARG A 32 2.736 -2.994 -4.424 1.00 1.00 H new ATOM 0 HD3 ARG A 32 1.790 -1.921 -5.436 1.00 1.00 H new ATOM 0 HE ARG A 32 4.575 -1.303 -5.760 1.00 1.00 H new ATOM 0 HH11 ARG A 32 2.176 -3.784 -6.529 1.00 1.00 H new ATOM 0 HH12 ARG A 32 3.027 -4.318 -7.982 1.00 1.00 H new ATOM 0 HH21 ARG A 32 5.655 -1.997 -7.628 1.00 1.00 H new ATOM 0 HH22 ARG A 32 4.986 -3.311 -8.600 1.00 1.00 H new ATOM 447 N CYS A 33 -0.433 -0.524 -1.585 1.00 1.00 N ATOM 448 CA CYS A 33 -1.197 -1.344 -0.652 1.00 1.00 C ATOM 449 C CYS A 33 -1.978 -2.415 -1.406 1.00 1.00 C ATOM 450 O CYS A 33 -2.695 -2.112 -2.359 1.00 1.00 O ATOM 451 CB CYS A 33 -2.153 -0.468 0.162 1.00 1.00 C ATOM 452 SG CYS A 33 -2.004 -0.679 1.965 1.00 1.00 S ATOM 0 H CYS A 33 -0.954 -0.237 -2.414 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.503 -1.834 0.031 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.971 0.578 -0.087 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -3.177 -0.693 -0.136 1.00 1.00 H new ATOM 457 N ARG A 34 -1.833 -3.668 -0.981 1.00 1.00 N ATOM 458 CA ARG A 34 -2.526 -4.776 -1.630 1.00 1.00 C ATOM 459 C ARG A 34 -2.872 -5.869 -0.626 1.00 1.00 C ATOM 460 O ARG A 34 -2.433 -5.831 0.520 1.00 1.00 O ATOM 461 CB ARG A 34 -1.663 -5.355 -2.754 1.00 1.00 C ATOM 462 CG ARG A 34 -2.071 -4.883 -4.140 1.00 1.00 C ATOM 463 CD ARG A 34 -1.588 -5.838 -5.219 1.00 1.00 C ATOM 464 NE ARG A 34 -2.479 -5.854 -6.376 1.00 1.00 N ATOM 465 CZ ARG A 34 -2.132 -6.322 -7.573 1.00 1.00 C ATOM 466 NH1 ARG A 34 -0.915 -6.811 -7.774 1.00 1.00 N ATOM 467 NH2 ARG A 34 -3.004 -6.301 -8.571 1.00 1.00 N ATOM 0 H ARG A 34 -1.244 -3.940 -0.194 1.00 1.00 H new ATOM 0 HA ARG A 34 -3.454 -4.392 -2.052 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -0.622 -5.083 -2.578 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -1.718 -6.443 -2.719 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -3.156 -4.795 -4.190 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -1.661 -3.889 -4.322 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -0.586 -5.549 -5.537 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -1.513 -6.844 -4.806 1.00 1.00 H new ATOM 0 HE ARG A 34 -3.423 -5.485 -6.260 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -0.240 -6.830 -7.009 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -0.654 -7.168 -8.693 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -3.941 -5.926 -8.422 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -2.738 -6.660 -9.488 1.00 1.00 H new ATOM 481 N ASN A 35 -3.662 -6.843 -1.064 1.00 1.00 N ATOM 482 CA ASN A 35 -4.068 -7.948 -0.200 1.00 1.00 C ATOM 483 C ASN A 35 -2.863 -8.582 0.491 1.00 1.00 C ATOM 484 O ASN A 35 -1.716 -8.276 0.165 1.00 1.00 O ATOM 485 CB ASN A 35 -4.824 -9.003 -1.011 1.00 1.00 C ATOM 486 CG ASN A 35 -5.726 -9.862 -0.147 1.00 1.00 C ATOM 487 OD1 ASN A 35 -5.695 -11.170 -0.377 1.00 1.00 O flip ATOM 488 ND2 ASN A 35 -6.443 -9.358 0.717 1.00 1.00 N flip ATOM 0 H ASN A 35 -4.035 -6.891 -2.012 1.00 1.00 H new ATOM 0 HA ASN A 35 -4.728 -7.548 0.570 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -5.422 -8.509 -1.776 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -4.108 -9.641 -1.529 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -6.436 -8.348 0.860 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -7.044 -9.950 1.290 1.00 1.00 H new ATOM 495 N ASN A 36 -3.133 -9.461 1.450 1.00 1.00 N ATOM 496 CA ASN A 36 -2.070 -10.133 2.193 1.00 1.00 C ATOM 497 C ASN A 36 -1.325 -11.125 1.307 1.00 1.00 C ATOM 498 O ASN A 36 -0.212 -10.856 0.855 1.00 1.00 O ATOM 499 CB ASN A 36 -2.632 -10.850 3.431 1.00 1.00 C ATOM 500 CG ASN A 36 -4.021 -11.423 3.214 1.00 1.00 C ATOM 501 OD1 ASN A 36 -4.334 -11.934 2.139 1.00 1.00 O ATOM 502 ND2 ASN A 36 -4.862 -11.339 4.238 1.00 1.00 N ATOM 0 H ASN A 36 -4.077 -9.725 1.732 1.00 1.00 H new ATOM 0 HA ASN A 36 -1.367 -9.369 2.524 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.955 -11.655 3.715 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -2.662 -10.150 4.266 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -5.810 -11.706 4.151 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -4.560 -10.907 5.111 1.00 1.00 H new ATOM 509 N SER A 37 -1.945 -12.269 1.063 1.00 1.00 N ATOM 510 CA SER A 37 -1.345 -13.305 0.230 1.00 1.00 C ATOM 511 C SER A 37 -1.867 -13.223 -1.201 1.00 1.00 C ATOM 512 O SER A 37 -1.083 -13.502 -2.132 1.00 1.00 O ATOM 513 CB SER A 37 -1.636 -14.689 0.813 1.00 1.00 C ATOM 514 OG SER A 37 -0.560 -15.580 0.575 1.00 1.00 O ATOM 0 H SER A 37 -2.867 -12.506 1.430 1.00 1.00 H new ATOM 0 HA SER A 37 -0.267 -13.144 0.214 1.00 1.00 H new ATOM 0 HB2 SER A 37 -1.812 -14.605 1.885 1.00 1.00 H new ATOM 0 HB3 SER A 37 -2.548 -15.089 0.370 1.00 1.00 H new ATOM 0 HG SER A 37 -0.770 -16.457 0.959 1.00 1.00 H new HETATM 520 N NH2 A 38 -3.055 -12.882 -1.378 1.00 1.00 N TER 521 NH2 A 38