USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 259 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 VAL N :NH3+ -114:sc= -1.57 (180deg=-3.52!) USER MOD Single : A 5 GLN : amide:sc= -1.99! C(o=-2!,f=-1.9!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= -0.0198 (180deg=-0.229) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -149:sc= -6! (180deg=-6.32!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.503 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -179:sc= -0.0813 USER MOD Single : A 30 ASN : amide:sc= -0.381 K(o=-0.38,f=0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 3.746 -7.082 5.251 1.00 1.00 N ATOM 2 CA VAL A 1 3.922 -6.736 6.692 1.00 1.00 C ATOM 3 C VAL A 1 4.156 -5.231 6.890 1.00 1.00 C ATOM 4 O VAL A 1 4.271 -4.473 5.947 1.00 1.00 O ATOM 5 CB VAL A 1 5.131 -7.515 7.289 1.00 1.00 C ATOM 6 CG1 VAL A 1 4.857 -9.033 7.212 1.00 1.00 C ATOM 7 CG2 VAL A 1 6.437 -7.191 6.521 1.00 1.00 C ATOM 0 H1 VAL A 1 2.775 -7.419 5.091 1.00 1.00 H new ATOM 0 H2 VAL A 1 3.920 -6.239 4.668 1.00 1.00 H new ATOM 0 H3 VAL A 1 4.420 -7.830 4.989 1.00 1.00 H new ATOM 0 HA VAL A 1 3.003 -7.017 7.206 1.00 1.00 H new ATOM 0 HB VAL A 1 5.255 -7.209 8.328 1.00 1.00 H new ATOM 0 HG11 VAL A 1 5.704 -9.577 7.630 1.00 1.00 H new ATOM 0 HG12 VAL A 1 3.957 -9.270 7.780 1.00 1.00 H new ATOM 0 HG13 VAL A 1 4.716 -9.325 6.171 1.00 1.00 H new ATOM 0 HG21 VAL A 1 7.265 -7.749 6.959 1.00 1.00 H new ATOM 0 HG22 VAL A 1 6.323 -7.473 5.474 1.00 1.00 H new ATOM 0 HG23 VAL A 1 6.643 -6.123 6.588 1.00 1.00 H new ATOM 19 N VAL A 2 4.214 -4.864 8.141 1.00 1.00 N ATOM 20 CA VAL A 2 4.439 -3.438 8.529 1.00 1.00 C ATOM 21 C VAL A 2 5.882 -3.039 8.198 1.00 1.00 C ATOM 22 O VAL A 2 6.804 -3.591 8.766 1.00 1.00 O ATOM 23 CB VAL A 2 4.180 -3.282 10.052 1.00 1.00 C ATOM 24 CG1 VAL A 2 4.338 -1.810 10.511 1.00 1.00 C ATOM 25 CG2 VAL A 2 2.770 -3.801 10.428 1.00 1.00 C ATOM 0 H VAL A 2 4.113 -5.505 8.928 1.00 1.00 H new ATOM 0 HA VAL A 2 3.758 -2.790 7.977 1.00 1.00 H new ATOM 0 HB VAL A 2 4.929 -3.882 10.568 1.00 1.00 H new ATOM 0 HG11 VAL A 2 4.149 -1.741 11.582 1.00 1.00 H new ATOM 0 HG12 VAL A 2 5.351 -1.469 10.298 1.00 1.00 H new ATOM 0 HG13 VAL A 2 3.625 -1.183 9.976 1.00 1.00 H new ATOM 0 HG21 VAL A 2 2.612 -3.681 11.500 1.00 1.00 H new ATOM 0 HG22 VAL A 2 2.016 -3.232 9.884 1.00 1.00 H new ATOM 0 HG23 VAL A 2 2.688 -4.856 10.165 1.00 1.00 H new ATOM 35 N ILE A 3 6.032 -2.100 7.290 1.00 1.00 N ATOM 36 CA ILE A 3 7.411 -1.651 6.911 1.00 1.00 C ATOM 37 C ILE A 3 7.586 -0.136 6.929 1.00 1.00 C ATOM 38 O ILE A 3 6.666 0.630 6.735 1.00 1.00 O ATOM 39 CB ILE A 3 7.783 -2.195 5.478 1.00 1.00 C ATOM 40 CG1 ILE A 3 6.934 -1.580 4.326 1.00 1.00 C ATOM 41 CG2 ILE A 3 7.524 -3.695 5.511 1.00 1.00 C ATOM 42 CD1 ILE A 3 7.430 -2.069 2.945 1.00 1.00 C ATOM 0 H ILE A 3 5.269 -1.631 6.801 1.00 1.00 H new ATOM 0 HA ILE A 3 8.080 -2.061 7.668 1.00 1.00 H new ATOM 0 HB ILE A 3 8.819 -1.928 5.270 1.00 1.00 H new ATOM 0 HG12 ILE A 3 5.887 -1.852 4.457 1.00 1.00 H new ATOM 0 HG13 ILE A 3 6.988 -0.492 4.371 1.00 1.00 H new ATOM 0 HG21 ILE A 3 7.765 -4.127 4.540 1.00 1.00 H new ATOM 0 HG22 ILE A 3 8.147 -4.155 6.278 1.00 1.00 H new ATOM 0 HG23 ILE A 3 6.474 -3.878 5.739 1.00 1.00 H new ATOM 0 HD11 ILE A 3 6.819 -1.623 2.160 1.00 1.00 H new ATOM 0 HD12 ILE A 3 8.470 -1.774 2.807 1.00 1.00 H new ATOM 0 HD13 ILE A 3 7.351 -3.155 2.894 1.00 1.00 H new ATOM 54 N GLY A 4 8.825 0.197 7.166 1.00 1.00 N ATOM 55 CA GLY A 4 9.262 1.612 7.239 1.00 1.00 C ATOM 56 C GLY A 4 8.994 2.357 5.938 1.00 1.00 C ATOM 57 O GLY A 4 8.667 3.525 5.990 1.00 1.00 O ATOM 0 H GLY A 4 9.574 -0.479 7.316 1.00 1.00 H new ATOM 0 HA2 GLY A 4 8.742 2.111 8.057 1.00 1.00 H new ATOM 0 HA3 GLY A 4 10.327 1.652 7.467 1.00 1.00 H new ATOM 61 N GLN A 5 9.146 1.639 4.844 1.00 1.00 N ATOM 62 CA GLN A 5 8.934 2.176 3.457 1.00 1.00 C ATOM 63 C GLN A 5 8.021 3.412 3.443 1.00 1.00 C ATOM 64 O GLN A 5 6.810 3.289 3.417 1.00 1.00 O ATOM 65 CB GLN A 5 8.344 1.034 2.592 1.00 1.00 C ATOM 66 CG GLN A 5 8.484 1.306 1.072 1.00 1.00 C ATOM 67 CD GLN A 5 7.668 2.526 0.631 1.00 1.00 C ATOM 68 OE1 GLN A 5 6.466 2.576 0.788 1.00 1.00 O ATOM 69 NE2 GLN A 5 8.285 3.532 0.074 1.00 1.00 N ATOM 0 H GLN A 5 9.421 0.657 4.860 1.00 1.00 H new ATOM 0 HA GLN A 5 9.889 2.508 3.050 1.00 1.00 H new ATOM 0 HB2 GLN A 5 8.847 0.099 2.838 1.00 1.00 H new ATOM 0 HB3 GLN A 5 7.290 0.903 2.839 1.00 1.00 H new ATOM 0 HG2 GLN A 5 9.534 1.464 0.827 1.00 1.00 H new ATOM 0 HG3 GLN A 5 8.155 0.429 0.515 1.00 1.00 H new ATOM 0 HE21 GLN A 5 9.295 3.499 -0.062 1.00 1.00 H new ATOM 0 HE22 GLN A 5 7.757 4.352 -0.225 1.00 1.00 H new ATOM 78 N ARG A 6 8.652 4.563 3.480 1.00 1.00 N ATOM 79 CA ARG A 6 7.919 5.869 3.475 1.00 1.00 C ATOM 80 C ARG A 6 6.712 5.857 2.535 1.00 1.00 C ATOM 81 O ARG A 6 6.817 5.449 1.395 1.00 1.00 O ATOM 82 CB ARG A 6 8.891 6.985 3.058 1.00 1.00 C ATOM 83 CG ARG A 6 9.947 7.156 4.165 1.00 1.00 C ATOM 84 CD ARG A 6 10.956 8.239 3.754 1.00 1.00 C ATOM 85 NE ARG A 6 11.959 8.370 4.853 1.00 1.00 N ATOM 86 CZ ARG A 6 13.220 8.129 4.616 1.00 1.00 C ATOM 87 NH1 ARG A 6 13.645 6.898 4.673 1.00 1.00 N ATOM 88 NH2 ARG A 6 14.011 9.126 4.331 1.00 1.00 N ATOM 0 H ARG A 6 9.667 4.652 3.514 1.00 1.00 H new ATOM 0 HA ARG A 6 7.539 6.045 4.482 1.00 1.00 H new ATOM 0 HB2 ARG A 6 9.372 6.734 2.112 1.00 1.00 H new ATOM 0 HB3 ARG A 6 8.351 7.919 2.903 1.00 1.00 H new ATOM 0 HG2 ARG A 6 9.464 7.432 5.102 1.00 1.00 H new ATOM 0 HG3 ARG A 6 10.463 6.211 4.338 1.00 1.00 H new ATOM 0 HD2 ARG A 6 11.447 7.969 2.819 1.00 1.00 H new ATOM 0 HD3 ARG A 6 10.449 9.189 3.585 1.00 1.00 H new ATOM 0 HE ARG A 6 11.659 8.647 5.788 1.00 1.00 H new ATOM 0 HH11 ARG A 6 12.996 6.144 4.899 1.00 1.00 H new ATOM 0 HH12 ARG A 6 14.627 6.688 4.491 1.00 1.00 H new ATOM 0 HH21 ARG A 6 13.642 10.076 4.296 1.00 1.00 H new ATOM 0 HH22 ARG A 6 14.999 8.956 4.143 1.00 1.00 H new ATOM 102 N CYS A 7 5.608 6.315 3.060 1.00 1.00 N ATOM 103 CA CYS A 7 4.359 6.356 2.260 1.00 1.00 C ATOM 104 C CYS A 7 3.885 7.769 1.919 1.00 1.00 C ATOM 105 O CYS A 7 4.249 8.733 2.554 1.00 1.00 O ATOM 106 CB CYS A 7 3.266 5.628 3.039 1.00 1.00 C ATOM 107 SG CYS A 7 1.589 5.956 2.456 1.00 1.00 S ATOM 0 H CYS A 7 5.521 6.664 4.015 1.00 1.00 H new ATOM 0 HA CYS A 7 4.571 5.872 1.307 1.00 1.00 H new ATOM 0 HB2 CYS A 7 3.452 4.555 2.986 1.00 1.00 H new ATOM 0 HB3 CYS A 7 3.335 5.912 4.089 1.00 1.00 H new ATOM 112 N TYR A 8 3.066 7.810 0.896 1.00 1.00 N ATOM 113 CA TYR A 8 2.477 9.080 0.391 1.00 1.00 C ATOM 114 C TYR A 8 0.947 8.946 0.465 1.00 1.00 C ATOM 115 O TYR A 8 0.284 9.739 1.108 1.00 1.00 O ATOM 116 CB TYR A 8 2.946 9.261 -1.044 1.00 1.00 C ATOM 117 CG TYR A 8 3.074 10.757 -1.391 1.00 1.00 C ATOM 118 CD1 TYR A 8 2.004 11.623 -1.267 1.00 1.00 C ATOM 119 CD2 TYR A 8 4.285 11.254 -1.834 1.00 1.00 C ATOM 120 CE1 TYR A 8 2.146 12.961 -1.581 1.00 1.00 C ATOM 121 CE2 TYR A 8 4.425 12.590 -2.148 1.00 1.00 C ATOM 122 CZ TYR A 8 3.356 13.452 -2.021 1.00 1.00 C ATOM 123 OH TYR A 8 3.491 14.790 -2.334 1.00 1.00 O ATOM 0 H TYR A 8 2.775 6.983 0.375 1.00 1.00 H new ATOM 0 HA TYR A 8 2.784 9.946 0.978 1.00 1.00 H new ATOM 0 HB2 TYR A 8 3.908 8.767 -1.183 1.00 1.00 H new ATOM 0 HB3 TYR A 8 2.241 8.784 -1.725 1.00 1.00 H new ATOM 0 HD1 TYR A 8 1.050 11.251 -0.922 1.00 1.00 H new ATOM 0 HD2 TYR A 8 5.130 10.590 -1.935 1.00 1.00 H new ATOM 0 HE1 TYR A 8 1.302 13.627 -1.481 1.00 1.00 H new ATOM 0 HE2 TYR A 8 5.377 12.963 -2.495 1.00 1.00 H new ATOM 0 HH TYR A 8 4.410 14.966 -2.626 1.00 1.00 H new ATOM 133 N ARG A 9 0.449 7.934 -0.198 1.00 1.00 N ATOM 134 CA ARG A 9 -1.023 7.658 -0.230 1.00 1.00 C ATOM 135 C ARG A 9 -1.332 6.318 0.445 1.00 1.00 C ATOM 136 O ARG A 9 -0.445 5.528 0.692 1.00 1.00 O ATOM 137 CB ARG A 9 -1.529 7.558 -1.674 1.00 1.00 C ATOM 138 CG ARG A 9 -1.128 8.758 -2.555 1.00 1.00 C ATOM 139 CD ARG A 9 -1.770 10.056 -2.039 1.00 1.00 C ATOM 140 NE ARG A 9 -1.588 11.103 -3.092 1.00 1.00 N ATOM 141 CZ ARG A 9 -0.917 12.196 -2.846 1.00 1.00 C ATOM 142 NH1 ARG A 9 -1.233 12.925 -1.809 1.00 1.00 N ATOM 143 NH2 ARG A 9 0.044 12.525 -3.656 1.00 1.00 N ATOM 0 H ARG A 9 1.012 7.271 -0.731 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.513 8.480 0.292 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -1.142 6.643 -2.123 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -2.616 7.473 -1.664 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -0.043 8.862 -2.563 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -1.438 8.578 -3.584 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -2.829 9.903 -1.831 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -1.304 10.368 -1.105 1.00 1.00 H new ATOM 0 HE ARG A 9 -1.994 10.961 -4.017 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -1.999 12.639 -1.199 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -0.714 13.780 -1.610 1.00 1.00 H new ATOM 0 HH21 ARG A 9 0.258 11.935 -4.460 1.00 1.00 H new ATOM 0 HH22 ARG A 9 0.585 13.373 -3.488 1.00 1.00 H new ATOM 157 N SER A 10 -2.600 6.128 0.708 1.00 1.00 N ATOM 158 CA SER A 10 -3.108 4.880 1.372 1.00 1.00 C ATOM 159 C SER A 10 -2.325 3.602 1.030 1.00 1.00 C ATOM 160 O SER A 10 -1.841 2.951 1.936 1.00 1.00 O ATOM 161 CB SER A 10 -4.585 4.651 0.997 1.00 1.00 C ATOM 162 OG SER A 10 -5.267 5.744 1.595 1.00 1.00 O ATOM 0 H SER A 10 -3.329 6.805 0.484 1.00 1.00 H new ATOM 0 HA SER A 10 -2.977 5.055 2.440 1.00 1.00 H new ATOM 0 HB2 SER A 10 -4.724 4.637 -0.084 1.00 1.00 H new ATOM 0 HB3 SER A 10 -4.950 3.697 1.378 1.00 1.00 H new ATOM 0 HG SER A 10 -6.225 5.677 1.402 1.00 1.00 H new ATOM 168 N PRO A 11 -2.211 3.256 -0.227 1.00 1.00 N ATOM 169 CA PRO A 11 -1.407 2.082 -0.631 1.00 1.00 C ATOM 170 C PRO A 11 0.087 2.265 -0.354 1.00 1.00 C ATOM 171 O PRO A 11 0.532 1.961 0.730 1.00 1.00 O ATOM 172 CB PRO A 11 -1.755 1.906 -2.121 1.00 1.00 C ATOM 173 CG PRO A 11 -1.994 3.369 -2.575 1.00 1.00 C ATOM 174 CD PRO A 11 -2.823 3.921 -1.419 1.00 1.00 C ATOM 0 HA PRO A 11 -1.639 1.186 -0.055 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -0.944 1.435 -2.676 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.640 1.286 -2.262 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.060 3.915 -2.706 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -2.529 3.421 -3.523 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.756 5.007 -1.355 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -3.879 3.672 -1.523 1.00 1.00 H new ATOM 182 N ASP A 12 0.796 2.761 -1.337 1.00 1.00 N ATOM 183 CA ASP A 12 2.272 3.012 -1.281 1.00 1.00 C ATOM 184 C ASP A 12 2.949 1.837 -0.536 1.00 1.00 C ATOM 185 O ASP A 12 3.945 1.971 0.140 1.00 1.00 O ATOM 186 CB ASP A 12 2.469 4.364 -0.555 1.00 1.00 C ATOM 187 CG ASP A 12 3.830 5.011 -0.906 1.00 1.00 C ATOM 188 OD1 ASP A 12 4.848 4.390 -0.651 1.00 1.00 O ATOM 189 OD2 ASP A 12 3.769 6.117 -1.419 1.00 1.00 O ATOM 0 H ASP A 12 0.382 3.018 -2.233 1.00 1.00 H new ATOM 0 HA ASP A 12 2.727 3.069 -2.270 1.00 1.00 H new ATOM 0 HB2 ASP A 12 1.662 5.044 -0.828 1.00 1.00 H new ATOM 0 HB3 ASP A 12 2.406 4.211 0.522 1.00 1.00 H new ATOM 194 N CYS A 13 2.333 0.703 -0.729 1.00 1.00 N ATOM 195 CA CYS A 13 2.795 -0.571 -0.114 1.00 1.00 C ATOM 196 C CYS A 13 2.110 -1.802 -0.739 1.00 1.00 C ATOM 197 O CYS A 13 2.684 -2.870 -0.719 1.00 1.00 O ATOM 198 CB CYS A 13 2.501 -0.553 1.369 1.00 1.00 C ATOM 199 SG CYS A 13 3.360 -1.830 2.321 1.00 1.00 S ATOM 0 H CYS A 13 1.499 0.606 -1.309 1.00 1.00 H new ATOM 0 HA CYS A 13 3.867 -0.649 -0.297 1.00 1.00 H new ATOM 0 HB2 CYS A 13 2.773 0.424 1.768 1.00 1.00 H new ATOM 0 HB3 CYS A 13 1.427 -0.670 1.515 1.00 1.00 H new ATOM 204 N TYR A 14 0.915 -1.624 -1.261 1.00 1.00 N ATOM 205 CA TYR A 14 0.119 -2.727 -1.906 1.00 1.00 C ATOM 206 C TYR A 14 1.009 -3.661 -2.716 1.00 1.00 C ATOM 207 O TYR A 14 1.039 -4.847 -2.464 1.00 1.00 O ATOM 208 CB TYR A 14 -0.932 -2.068 -2.816 1.00 1.00 C ATOM 209 CG TYR A 14 -2.233 -1.694 -2.065 1.00 1.00 C ATOM 210 CD1 TYR A 14 -2.217 -1.063 -0.838 1.00 1.00 C ATOM 211 CD2 TYR A 14 -3.455 -1.993 -2.639 1.00 1.00 C ATOM 212 CE1 TYR A 14 -3.400 -0.738 -0.206 1.00 1.00 C ATOM 213 CE2 TYR A 14 -4.634 -1.668 -2.005 1.00 1.00 C ATOM 214 CZ TYR A 14 -4.614 -1.038 -0.781 1.00 1.00 C ATOM 215 OH TYR A 14 -5.791 -0.708 -0.140 1.00 1.00 O ATOM 0 H TYR A 14 0.440 -0.722 -1.266 1.00 1.00 H new ATOM 0 HA TYR A 14 -0.357 -3.334 -1.136 1.00 1.00 H new ATOM 0 HB2 TYR A 14 -0.506 -1.170 -3.263 1.00 1.00 H new ATOM 0 HB3 TYR A 14 -1.173 -2.747 -3.634 1.00 1.00 H new ATOM 0 HD1 TYR A 14 -1.274 -0.822 -0.370 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -3.486 -2.488 -3.598 1.00 1.00 H new ATOM 0 HE1 TYR A 14 -3.373 -0.242 0.753 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -5.578 -1.909 -2.470 1.00 1.00 H new ATOM 0 HH TYR A 14 -6.552 -0.992 -0.688 1.00 1.00 H new ATOM 225 N SER A 15 1.698 -3.094 -3.667 1.00 1.00 N ATOM 226 CA SER A 15 2.620 -3.898 -4.533 1.00 1.00 C ATOM 227 C SER A 15 3.539 -4.790 -3.669 1.00 1.00 C ATOM 228 O SER A 15 3.707 -5.964 -3.940 1.00 1.00 O ATOM 229 CB SER A 15 3.462 -2.928 -5.381 1.00 1.00 C ATOM 230 OG SER A 15 4.268 -3.776 -6.188 1.00 1.00 O ATOM 0 H SER A 15 1.665 -2.099 -3.887 1.00 1.00 H new ATOM 0 HA SER A 15 2.036 -4.551 -5.182 1.00 1.00 H new ATOM 0 HB2 SER A 15 2.831 -2.281 -5.990 1.00 1.00 H new ATOM 0 HB3 SER A 15 4.072 -2.278 -4.754 1.00 1.00 H new ATOM 0 HG SER A 15 4.840 -3.230 -6.766 1.00 1.00 H new ATOM 236 N ALA A 16 4.100 -4.184 -2.651 1.00 1.00 N ATOM 237 CA ALA A 16 5.021 -4.907 -1.718 1.00 1.00 C ATOM 238 C ALA A 16 4.289 -5.968 -0.893 1.00 1.00 C ATOM 239 O ALA A 16 4.839 -7.011 -0.604 1.00 1.00 O ATOM 240 CB ALA A 16 5.686 -3.886 -0.778 1.00 1.00 C ATOM 0 H ALA A 16 3.956 -3.200 -2.423 1.00 1.00 H new ATOM 0 HA ALA A 16 5.773 -5.422 -2.317 1.00 1.00 H new ATOM 0 HB1 ALA A 16 6.359 -4.405 -0.095 1.00 1.00 H new ATOM 0 HB2 ALA A 16 6.252 -3.164 -1.367 1.00 1.00 H new ATOM 0 HB3 ALA A 16 4.919 -3.365 -0.206 1.00 1.00 H new ATOM 246 N CYS A 17 3.068 -5.676 -0.538 1.00 1.00 N ATOM 247 CA CYS A 17 2.224 -6.582 0.249 1.00 1.00 C ATOM 248 C CYS A 17 1.848 -7.776 -0.619 1.00 1.00 C ATOM 249 O CYS A 17 1.730 -8.885 -0.149 1.00 1.00 O ATOM 250 CB CYS A 17 1.028 -5.775 0.663 1.00 1.00 C ATOM 251 SG CYS A 17 1.154 -4.575 2.012 1.00 1.00 S ATOM 0 H CYS A 17 2.611 -4.797 -0.781 1.00 1.00 H new ATOM 0 HA CYS A 17 2.723 -6.978 1.134 1.00 1.00 H new ATOM 0 HB2 CYS A 17 0.684 -5.234 -0.218 1.00 1.00 H new ATOM 0 HB3 CYS A 17 0.241 -6.480 0.931 1.00 1.00 H new ATOM 256 N LYS A 18 1.658 -7.506 -1.881 1.00 1.00 N ATOM 257 CA LYS A 18 1.299 -8.563 -2.850 1.00 1.00 C ATOM 258 C LYS A 18 2.533 -9.451 -3.050 1.00 1.00 C ATOM 259 O LYS A 18 2.463 -10.662 -3.097 1.00 1.00 O ATOM 260 CB LYS A 18 0.898 -7.890 -4.161 1.00 1.00 C ATOM 261 CG LYS A 18 0.239 -8.907 -5.119 1.00 1.00 C ATOM 262 CD LYS A 18 -0.200 -8.212 -6.433 1.00 1.00 C ATOM 263 CE LYS A 18 0.992 -7.616 -7.207 1.00 1.00 C ATOM 264 NZ LYS A 18 1.992 -8.676 -7.526 1.00 1.00 N ATOM 0 H LYS A 18 1.740 -6.573 -2.284 1.00 1.00 H new ATOM 0 HA LYS A 18 0.468 -9.173 -2.497 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.206 -7.072 -3.959 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.777 -7.454 -4.635 1.00 1.00 H new ATOM 0 HG2 LYS A 18 0.940 -9.711 -5.343 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.625 -9.363 -4.636 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.718 -8.932 -7.067 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.913 -7.420 -6.202 1.00 1.00 H new ATOM 0 HE2 LYS A 18 0.639 -7.152 -8.128 1.00 1.00 H new ATOM 0 HE3 LYS A 18 1.462 -6.831 -6.614 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 2.690 -8.303 -8.201 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 2.476 -8.970 -6.654 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 1.508 -9.495 -7.946 1.00 1.00 H new ATOM 278 N LYS A 19 3.634 -8.762 -3.160 1.00 1.00 N ATOM 279 CA LYS A 19 4.965 -9.389 -3.363 1.00 1.00 C ATOM 280 C LYS A 19 5.487 -10.154 -2.122 1.00 1.00 C ATOM 281 O LYS A 19 6.226 -11.107 -2.275 1.00 1.00 O ATOM 282 CB LYS A 19 5.916 -8.253 -3.763 1.00 1.00 C ATOM 283 CG LYS A 19 7.285 -8.812 -4.165 1.00 1.00 C ATOM 284 CD LYS A 19 8.268 -7.673 -4.532 1.00 1.00 C ATOM 285 CE LYS A 19 7.785 -6.900 -5.777 1.00 1.00 C ATOM 286 NZ LYS A 19 8.773 -5.849 -6.127 1.00 1.00 N ATOM 0 H LYS A 19 3.663 -7.743 -3.115 1.00 1.00 H new ATOM 0 HA LYS A 19 4.896 -10.153 -4.137 1.00 1.00 H new ATOM 0 HB2 LYS A 19 5.489 -7.690 -4.593 1.00 1.00 H new ATOM 0 HB3 LYS A 19 6.031 -7.558 -2.931 1.00 1.00 H new ATOM 0 HG2 LYS A 19 7.696 -9.400 -3.345 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.171 -9.485 -5.014 1.00 1.00 H new ATOM 0 HD2 LYS A 19 8.365 -6.988 -3.690 1.00 1.00 H new ATOM 0 HD3 LYS A 19 9.258 -8.089 -4.720 1.00 1.00 H new ATOM 0 HE2 LYS A 19 7.656 -7.585 -6.615 1.00 1.00 H new ATOM 0 HE3 LYS A 19 6.812 -6.448 -5.582 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 8.445 -5.330 -6.966 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 8.875 -5.189 -5.330 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 9.692 -6.291 -6.331 1.00 1.00 H new ATOM 300 N LEU A 20 5.094 -9.729 -0.946 1.00 1.00 N ATOM 301 CA LEU A 20 5.552 -10.396 0.317 1.00 1.00 C ATOM 302 C LEU A 20 4.493 -11.280 0.984 1.00 1.00 C ATOM 303 O LEU A 20 4.822 -12.298 1.562 1.00 1.00 O ATOM 304 CB LEU A 20 5.995 -9.309 1.324 1.00 1.00 C ATOM 305 CG LEU A 20 7.479 -8.877 1.117 1.00 1.00 C ATOM 306 CD1 LEU A 20 7.767 -8.339 -0.292 1.00 1.00 C ATOM 307 CD2 LEU A 20 7.812 -7.766 2.137 1.00 1.00 C ATOM 0 H LEU A 20 4.467 -8.937 -0.804 1.00 1.00 H new ATOM 0 HA LEU A 20 6.373 -11.055 0.035 1.00 1.00 H new ATOM 0 HB2 LEU A 20 5.348 -8.438 1.222 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.867 -9.684 2.339 1.00 1.00 H new ATOM 0 HG LEU A 20 8.094 -9.766 1.257 1.00 1.00 H new ATOM 0 HD11 LEU A 20 8.817 -8.057 -0.366 1.00 1.00 H new ATOM 0 HD12 LEU A 20 7.546 -9.111 -1.029 1.00 1.00 H new ATOM 0 HD13 LEU A 20 7.143 -7.466 -0.483 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.847 -7.451 2.007 1.00 1.00 H new ATOM 0 HD22 LEU A 20 7.151 -6.915 1.976 1.00 1.00 H new ATOM 0 HD23 LEU A 20 7.673 -8.147 3.149 1.00 1.00 H new ATOM 319 N VAL A 21 3.260 -10.865 0.884 1.00 1.00 N ATOM 320 CA VAL A 21 2.126 -11.627 1.495 1.00 1.00 C ATOM 321 C VAL A 21 1.349 -12.375 0.403 1.00 1.00 C ATOM 322 O VAL A 21 0.882 -13.472 0.649 1.00 1.00 O ATOM 323 CB VAL A 21 1.169 -10.642 2.239 1.00 1.00 C ATOM 324 CG1 VAL A 21 0.147 -11.444 3.076 1.00 1.00 C ATOM 325 CG2 VAL A 21 1.979 -9.711 3.175 1.00 1.00 C ATOM 0 H VAL A 21 2.982 -10.014 0.396 1.00 1.00 H new ATOM 0 HA VAL A 21 2.526 -12.349 2.207 1.00 1.00 H new ATOM 0 HB VAL A 21 0.645 -10.036 1.500 1.00 1.00 H new ATOM 0 HG11 VAL A 21 -0.520 -10.755 3.594 1.00 1.00 H new ATOM 0 HG12 VAL A 21 -0.437 -12.088 2.418 1.00 1.00 H new ATOM 0 HG13 VAL A 21 0.676 -12.056 3.807 1.00 1.00 H new ATOM 0 HG21 VAL A 21 1.300 -9.030 3.687 1.00 1.00 H new ATOM 0 HG22 VAL A 21 2.514 -10.311 3.911 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.694 -9.136 2.586 1.00 1.00 H new ATOM 335 N GLY A 22 1.233 -11.779 -0.752 1.00 1.00 N ATOM 336 CA GLY A 22 0.500 -12.427 -1.874 1.00 1.00 C ATOM 337 C GLY A 22 -0.571 -11.542 -2.505 1.00 1.00 C ATOM 338 O GLY A 22 -0.837 -11.673 -3.685 1.00 1.00 O ATOM 0 H GLY A 22 1.620 -10.860 -0.967 1.00 1.00 H new ATOM 0 HA2 GLY A 22 1.216 -12.718 -2.643 1.00 1.00 H new ATOM 0 HA3 GLY A 22 0.033 -13.342 -1.510 1.00 1.00 H new ATOM 342 N LYS A 23 -1.162 -10.674 -1.718 1.00 1.00 N ATOM 343 CA LYS A 23 -2.236 -9.772 -2.245 1.00 1.00 C ATOM 344 C LYS A 23 -1.892 -8.298 -1.999 1.00 1.00 C ATOM 345 O LYS A 23 -1.203 -7.973 -1.053 1.00 1.00 O ATOM 346 CB LYS A 23 -3.597 -10.050 -1.549 1.00 1.00 C ATOM 347 CG LYS A 23 -3.964 -11.560 -1.434 1.00 1.00 C ATOM 348 CD LYS A 23 -3.137 -12.365 -0.372 1.00 1.00 C ATOM 349 CE LYS A 23 -3.204 -11.740 1.038 1.00 1.00 C ATOM 350 NZ LYS A 23 -2.393 -10.489 1.123 1.00 1.00 N ATOM 0 H LYS A 23 -0.946 -10.551 -0.729 1.00 1.00 H new ATOM 0 HA LYS A 23 -2.309 -9.973 -3.314 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -3.575 -9.617 -0.549 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -4.385 -9.538 -2.101 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -5.022 -11.643 -1.187 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -3.827 -12.027 -2.409 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -3.509 -13.389 -0.329 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -2.096 -12.417 -0.692 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -4.241 -11.520 1.290 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -2.843 -12.459 1.773 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -2.021 -10.381 2.088 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -1.601 -10.542 0.451 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -2.991 -9.671 0.889 1.00 1.00 H new ATOM 364 N ALA A 24 -2.398 -7.470 -2.881 1.00 1.00 N ATOM 365 CA ALA A 24 -2.188 -5.989 -2.815 1.00 1.00 C ATOM 366 C ALA A 24 -3.005 -5.427 -1.632 1.00 1.00 C ATOM 367 O ALA A 24 -4.041 -4.818 -1.823 1.00 1.00 O ATOM 368 CB ALA A 24 -2.644 -5.394 -4.159 1.00 1.00 C ATOM 0 H ALA A 24 -2.968 -7.771 -3.671 1.00 1.00 H new ATOM 0 HA ALA A 24 -1.142 -5.731 -2.651 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.504 -4.313 -4.145 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -2.053 -5.826 -4.967 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -3.698 -5.621 -4.319 1.00 1.00 H new ATOM 374 N THR A 25 -2.507 -5.656 -0.443 1.00 1.00 N ATOM 375 CA THR A 25 -3.189 -5.179 0.793 1.00 1.00 C ATOM 376 C THR A 25 -2.248 -4.277 1.597 1.00 1.00 C ATOM 377 O THR A 25 -1.269 -3.773 1.084 1.00 1.00 O ATOM 378 CB THR A 25 -3.626 -6.452 1.596 1.00 1.00 C ATOM 379 OG1 THR A 25 -4.454 -6.045 2.677 1.00 1.00 O ATOM 380 CG2 THR A 25 -2.444 -7.205 2.247 1.00 1.00 C ATOM 0 H THR A 25 -1.638 -6.164 -0.277 1.00 1.00 H new ATOM 0 HA THR A 25 -4.068 -4.577 0.563 1.00 1.00 H new ATOM 0 HB THR A 25 -4.120 -7.107 0.879 1.00 1.00 H new ATOM 0 HG1 THR A 25 -4.736 -6.833 3.187 1.00 1.00 H new ATOM 0 HG21 THR A 25 -2.819 -8.075 2.786 1.00 1.00 H new ATOM 0 HG22 THR A 25 -1.749 -7.530 1.473 1.00 1.00 H new ATOM 0 HG23 THR A 25 -1.929 -6.542 2.942 1.00 1.00 H new ATOM 388 N GLY A 26 -2.607 -4.099 2.839 1.00 1.00 N ATOM 389 CA GLY A 26 -1.817 -3.253 3.786 1.00 1.00 C ATOM 390 C GLY A 26 -2.188 -1.789 3.590 1.00 1.00 C ATOM 391 O GLY A 26 -2.829 -1.460 2.612 1.00 1.00 O ATOM 0 H GLY A 26 -3.441 -4.517 3.251 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -2.017 -3.555 4.814 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -0.750 -3.395 3.614 1.00 1.00 H new ATOM 395 N LYS A 27 -1.788 -0.946 4.508 1.00 1.00 N ATOM 396 CA LYS A 27 -2.127 0.495 4.351 1.00 1.00 C ATOM 397 C LYS A 27 -0.961 1.389 4.748 1.00 1.00 C ATOM 398 O LYS A 27 0.137 0.951 5.000 1.00 1.00 O ATOM 399 CB LYS A 27 -3.414 0.779 5.189 1.00 1.00 C ATOM 400 CG LYS A 27 -3.190 0.570 6.686 1.00 1.00 C ATOM 401 CD LYS A 27 -4.505 0.732 7.480 1.00 1.00 C ATOM 402 CE LYS A 27 -4.993 2.194 7.435 1.00 1.00 C ATOM 403 NZ LYS A 27 -6.236 2.338 8.241 1.00 1.00 N ATOM 0 H LYS A 27 -1.253 -1.188 5.342 1.00 1.00 H new ATOM 0 HA LYS A 27 -2.324 0.725 3.304 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -3.741 1.804 5.013 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -4.217 0.125 4.849 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -2.779 -0.425 6.859 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -2.453 1.287 7.049 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -5.270 0.075 7.065 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -4.351 0.427 8.515 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -4.219 2.857 7.822 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -5.181 2.492 6.404 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -6.560 3.326 8.206 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -6.975 1.718 7.853 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -6.043 2.071 9.227 1.00 1.00 H new ATOM 417 N CYS A 28 -1.310 2.643 4.771 1.00 1.00 N ATOM 418 CA CYS A 28 -0.379 3.754 5.126 1.00 1.00 C ATOM 419 C CYS A 28 -0.735 4.283 6.511 1.00 1.00 C ATOM 420 O CYS A 28 -1.820 4.777 6.749 1.00 1.00 O ATOM 421 CB CYS A 28 -0.548 4.830 4.091 1.00 1.00 C ATOM 422 SG CYS A 28 0.484 6.308 4.101 1.00 1.00 S ATOM 0 H CYS A 28 -2.253 2.960 4.546 1.00 1.00 H new ATOM 0 HA CYS A 28 0.656 3.414 5.146 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -0.418 4.358 3.117 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.584 5.165 4.147 1.00 1.00 H new ATOM 427 N THR A 29 0.215 4.140 7.377 1.00 1.00 N ATOM 428 CA THR A 29 0.069 4.592 8.795 1.00 1.00 C ATOM 429 C THR A 29 1.369 5.227 9.273 1.00 1.00 C ATOM 430 O THR A 29 2.438 4.691 9.081 1.00 1.00 O ATOM 431 CB THR A 29 -0.281 3.386 9.643 1.00 1.00 C ATOM 432 OG1 THR A 29 -1.594 3.053 9.232 1.00 1.00 O ATOM 433 CG2 THR A 29 -0.402 3.689 11.129 1.00 1.00 C ATOM 0 H THR A 29 1.118 3.717 7.163 1.00 1.00 H new ATOM 0 HA THR A 29 -0.720 5.339 8.877 1.00 1.00 H new ATOM 0 HB THR A 29 0.493 2.629 9.517 1.00 1.00 H new ATOM 0 HG1 THR A 29 -1.912 2.281 9.745 1.00 1.00 H new ATOM 0 HG21 THR A 29 -0.654 2.775 11.667 1.00 1.00 H new ATOM 0 HG22 THR A 29 0.546 4.078 11.499 1.00 1.00 H new ATOM 0 HG23 THR A 29 -1.185 4.431 11.286 1.00 1.00 H new ATOM 441 N ASN A 30 1.200 6.353 9.910 1.00 1.00 N ATOM 442 CA ASN A 30 2.336 7.160 10.464 1.00 1.00 C ATOM 443 C ASN A 30 3.445 7.313 9.393 1.00 1.00 C ATOM 444 O ASN A 30 4.627 7.223 9.656 1.00 1.00 O ATOM 445 CB ASN A 30 2.849 6.425 11.739 1.00 1.00 C ATOM 446 CG ASN A 30 3.748 7.339 12.589 1.00 1.00 C ATOM 447 OD1 ASN A 30 4.835 7.720 12.208 1.00 1.00 O ATOM 448 ND2 ASN A 30 3.323 7.715 13.766 1.00 1.00 N ATOM 0 H ASN A 30 0.283 6.767 10.078 1.00 1.00 H new ATOM 0 HA ASN A 30 2.018 8.168 10.732 1.00 1.00 H new ATOM 0 HB2 ASN A 30 2.000 6.091 12.335 1.00 1.00 H new ATOM 0 HB3 ASN A 30 3.405 5.534 11.448 1.00 1.00 H new ATOM 0 HD21 ASN A 30 3.903 8.319 14.348 1.00 1.00 H new ATOM 0 HD22 ASN A 30 2.412 7.404 14.102 1.00 1.00 H new ATOM 455 N GLY A 31 2.981 7.543 8.189 1.00 1.00 N ATOM 456 CA GLY A 31 3.861 7.727 6.999 1.00 1.00 C ATOM 457 C GLY A 31 4.754 6.523 6.665 1.00 1.00 C ATOM 458 O GLY A 31 5.736 6.661 5.966 1.00 1.00 O ATOM 0 H GLY A 31 1.986 7.613 7.978 1.00 1.00 H new ATOM 0 HA2 GLY A 31 3.236 7.949 6.134 1.00 1.00 H new ATOM 0 HA3 GLY A 31 4.496 8.597 7.165 1.00 1.00 H new ATOM 462 N ARG A 32 4.386 5.385 7.181 1.00 1.00 N ATOM 463 CA ARG A 32 5.140 4.114 6.950 1.00 1.00 C ATOM 464 C ARG A 32 4.108 3.027 6.673 1.00 1.00 C ATOM 465 O ARG A 32 2.960 3.132 7.049 1.00 1.00 O ATOM 466 CB ARG A 32 5.922 3.715 8.187 1.00 1.00 C ATOM 467 CG ARG A 32 6.793 4.894 8.653 1.00 1.00 C ATOM 468 CD ARG A 32 7.325 4.629 10.055 1.00 1.00 C ATOM 469 NE ARG A 32 8.257 3.472 10.010 1.00 1.00 N ATOM 470 CZ ARG A 32 9.519 3.636 10.302 1.00 1.00 C ATOM 471 NH1 ARG A 32 9.888 3.605 11.552 1.00 1.00 N ATOM 472 NH2 ARG A 32 10.368 3.821 9.329 1.00 1.00 N ATOM 0 H ARG A 32 3.564 5.277 7.775 1.00 1.00 H new ATOM 0 HA ARG A 32 5.838 4.247 6.123 1.00 1.00 H new ATOM 0 HB2 ARG A 32 5.237 3.420 8.982 1.00 1.00 H new ATOM 0 HB3 ARG A 32 6.549 2.851 7.969 1.00 1.00 H new ATOM 0 HG2 ARG A 32 7.623 5.038 7.962 1.00 1.00 H new ATOM 0 HG3 ARG A 32 6.208 5.814 8.645 1.00 1.00 H new ATOM 0 HD2 ARG A 32 7.839 5.512 10.435 1.00 1.00 H new ATOM 0 HD3 ARG A 32 6.501 4.422 10.737 1.00 1.00 H new ATOM 0 HE ARG A 32 7.910 2.549 9.751 1.00 1.00 H new ATOM 0 HH11 ARG A 32 9.195 3.454 12.285 1.00 1.00 H new ATOM 0 HH12 ARG A 32 10.870 3.731 11.797 1.00 1.00 H new ATOM 0 HH21 ARG A 32 10.041 3.835 8.363 1.00 1.00 H new ATOM 0 HH22 ARG A 32 11.359 3.951 9.534 1.00 1.00 H new ATOM 486 N CYS A 33 4.553 1.994 6.016 1.00 1.00 N ATOM 487 CA CYS A 33 3.613 0.880 5.705 1.00 1.00 C ATOM 488 C CYS A 33 3.244 0.025 6.901 1.00 1.00 C ATOM 489 O CYS A 33 4.091 -0.280 7.719 1.00 1.00 O ATOM 490 CB CYS A 33 4.157 -0.126 4.738 1.00 1.00 C ATOM 491 SG CYS A 33 2.981 -1.413 4.259 1.00 1.00 S ATOM 0 H CYS A 33 5.510 1.872 5.685 1.00 1.00 H new ATOM 0 HA CYS A 33 2.763 1.433 5.306 1.00 1.00 H new ATOM 0 HB2 CYS A 33 4.493 0.395 3.841 1.00 1.00 H new ATOM 0 HB3 CYS A 33 5.035 -0.599 5.179 1.00 1.00 H new ATOM 496 N ASP A 34 1.993 -0.319 6.956 1.00 1.00 N ATOM 497 CA ASP A 34 1.509 -1.186 8.054 1.00 1.00 C ATOM 498 C ASP A 34 0.614 -2.194 7.320 1.00 1.00 C ATOM 499 O ASP A 34 -0.538 -1.946 7.038 1.00 1.00 O ATOM 500 CB ASP A 34 0.754 -0.336 9.108 1.00 1.00 C ATOM 501 CG ASP A 34 -0.447 0.376 8.528 1.00 1.00 C ATOM 502 OD1 ASP A 34 -0.213 1.142 7.611 1.00 1.00 O ATOM 503 OD2 ASP A 34 -1.518 0.121 9.049 1.00 1.00 O ATOM 0 H ASP A 34 1.282 -0.034 6.283 1.00 1.00 H new ATOM 0 HA ASP A 34 2.291 -1.688 8.623 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.430 -0.981 9.925 1.00 1.00 H new ATOM 0 HB3 ASP A 34 1.437 0.399 9.534 1.00 1.00 H new ATOM 508 N CYS A 35 1.226 -3.313 7.015 1.00 1.00 N ATOM 509 CA CYS A 35 0.541 -4.429 6.294 1.00 1.00 C ATOM 510 C CYS A 35 0.503 -5.704 7.168 1.00 1.00 C ATOM 511 O CYS A 35 1.062 -5.661 8.246 1.00 1.00 O ATOM 512 CB CYS A 35 1.316 -4.693 4.990 1.00 1.00 C ATOM 513 SG CYS A 35 0.494 -5.572 3.639 1.00 1.00 S ATOM 514 OXT CYS A 35 -0.085 -6.659 6.696 1.00 1.00 O ATOM 0 H CYS A 35 2.202 -3.503 7.244 1.00 1.00 H new ATOM 0 HA CYS A 35 -0.490 -4.154 6.073 1.00 1.00 H new ATOM 0 HB2 CYS A 35 1.645 -3.729 4.602 1.00 1.00 H new ATOM 0 HB3 CYS A 35 2.213 -5.255 5.249 1.00 1.00 H new TER 519 CYS A 35