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+ 136:sc= -2.11! (180deg=-3.11!) USER MOD Single : A 5 GLN : amide:sc= -1.91 K(o=-1.9,f=-0.38) 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+ 180:sc= -0.0097 (180deg=-0.0097) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= -0.0363 (180deg=-0.256) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= -0.0374 (180deg=-0.255) USER MOD Single : A 25 THR OG1 : rot 55:sc= 0.0238 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -160:sc= -0.128 USER MOD Single : A 30 ASN : amide:sc= -4.07 K(o=-4.1,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 3.088 -6.645 4.736 1.00 1.00 N ATOM 2 CA VAL A 1 3.438 -6.598 6.183 1.00 1.00 C ATOM 3 C VAL A 1 3.677 -5.129 6.577 1.00 1.00 C ATOM 4 O VAL A 1 3.803 -4.264 5.733 1.00 1.00 O ATOM 5 CB VAL A 1 4.736 -7.397 6.454 1.00 1.00 C ATOM 6 CG1 VAL A 1 5.000 -7.592 7.972 1.00 1.00 C ATOM 7 CG2 VAL A 1 4.699 -8.790 5.777 1.00 1.00 C ATOM 0 H1 VAL A 1 3.605 -7.423 4.279 1.00 1.00 H new ATOM 0 H2 VAL A 1 2.065 -6.801 4.631 1.00 1.00 H new ATOM 0 H3 VAL A 1 3.349 -5.744 4.286 1.00 1.00 H new ATOM 0 HA VAL A 1 2.624 -7.034 6.763 1.00 1.00 H new ATOM 0 HB VAL A 1 5.544 -6.803 6.027 1.00 1.00 H new ATOM 0 HG11 VAL A 1 5.921 -8.158 8.111 1.00 1.00 H new ATOM 0 HG12 VAL A 1 5.096 -6.618 8.453 1.00 1.00 H new ATOM 0 HG13 VAL A 1 4.168 -8.137 8.419 1.00 1.00 H new ATOM 0 HG21 VAL A 1 5.626 -9.322 5.989 1.00 1.00 H new ATOM 0 HG22 VAL A 1 3.856 -9.361 6.166 1.00 1.00 H new ATOM 0 HG23 VAL A 1 4.589 -8.668 4.699 1.00 1.00 H new ATOM 19 N VAL A 2 3.718 -4.900 7.863 1.00 1.00 N ATOM 20 CA VAL A 2 3.956 -3.525 8.402 1.00 1.00 C ATOM 21 C VAL A 2 5.426 -3.209 8.122 1.00 1.00 C ATOM 22 O VAL A 2 6.292 -3.823 8.717 1.00 1.00 O ATOM 23 CB VAL A 2 3.675 -3.506 9.920 1.00 1.00 C ATOM 24 CG1 VAL A 2 3.848 -2.083 10.506 1.00 1.00 C ATOM 25 CG2 VAL A 2 2.249 -4.028 10.202 1.00 1.00 C ATOM 0 H VAL A 2 3.595 -5.619 8.576 1.00 1.00 H new ATOM 0 HA VAL A 2 3.302 -2.787 7.938 1.00 1.00 H new ATOM 0 HB VAL A 2 4.399 -4.160 10.406 1.00 1.00 H new ATOM 0 HG11 VAL A 2 3.643 -2.103 11.576 1.00 1.00 H new ATOM 0 HG12 VAL A 2 4.870 -1.742 10.338 1.00 1.00 H new ATOM 0 HG13 VAL A 2 3.153 -1.401 10.016 1.00 1.00 H new ATOM 0 HG21 VAL A 2 2.061 -4.011 11.275 1.00 1.00 H new ATOM 0 HG22 VAL A 2 1.522 -3.393 9.696 1.00 1.00 H new ATOM 0 HG23 VAL A 2 2.156 -5.050 9.834 1.00 1.00 H new ATOM 35 N ILE A 3 5.675 -2.275 7.236 1.00 1.00 N ATOM 36 CA ILE A 3 7.102 -1.930 6.918 1.00 1.00 C ATOM 37 C ILE A 3 7.410 -0.433 6.880 1.00 1.00 C ATOM 38 O ILE A 3 6.543 0.402 6.726 1.00 1.00 O ATOM 39 CB ILE A 3 7.498 -2.577 5.539 1.00 1.00 C ATOM 40 CG1 ILE A 3 6.731 -1.963 4.334 1.00 1.00 C ATOM 41 CG2 ILE A 3 7.128 -4.066 5.629 1.00 1.00 C ATOM 42 CD1 ILE A 3 7.308 -2.473 2.998 1.00 1.00 C ATOM 0 H ILE A 3 4.969 -1.744 6.726 1.00 1.00 H new ATOM 0 HA ILE A 3 7.694 -2.333 7.739 1.00 1.00 H new ATOM 0 HB ILE A 3 8.560 -2.402 5.367 1.00 1.00 H new ATOM 0 HG12 ILE A 3 5.674 -2.221 4.401 1.00 1.00 H new ATOM 0 HG13 ILE A 3 6.797 -0.876 4.372 1.00 1.00 H new ATOM 0 HG21 ILE A 3 7.384 -4.562 4.693 1.00 1.00 H new ATOM 0 HG22 ILE A 3 7.679 -4.529 6.447 1.00 1.00 H new ATOM 0 HG23 ILE A 3 6.058 -4.165 5.811 1.00 1.00 H new ATOM 0 HD11 ILE A 3 6.755 -2.030 2.170 1.00 1.00 H new ATOM 0 HD12 ILE A 3 8.359 -2.192 2.925 1.00 1.00 H new ATOM 0 HD13 ILE A 3 7.219 -3.558 2.954 1.00 1.00 H new ATOM 54 N GLY A 4 8.691 -0.188 7.018 1.00 1.00 N ATOM 55 CA GLY A 4 9.238 1.168 7.018 1.00 1.00 C ATOM 56 C GLY A 4 9.522 1.666 5.605 1.00 1.00 C ATOM 57 O GLY A 4 10.542 2.267 5.353 1.00 1.00 O ATOM 0 H GLY A 4 9.394 -0.918 7.134 1.00 1.00 H new ATOM 0 HA2 GLY A 4 8.535 1.843 7.507 1.00 1.00 H new ATOM 0 HA3 GLY A 4 10.158 1.188 7.602 1.00 1.00 H new ATOM 61 N GLN A 5 8.585 1.384 4.737 1.00 1.00 N ATOM 62 CA GLN A 5 8.691 1.799 3.317 1.00 1.00 C ATOM 63 C GLN A 5 7.708 2.958 3.255 1.00 1.00 C ATOM 64 O GLN A 5 6.508 2.765 3.301 1.00 1.00 O ATOM 65 CB GLN A 5 8.256 0.646 2.388 1.00 1.00 C ATOM 66 CG GLN A 5 8.295 1.098 0.906 1.00 1.00 C ATOM 67 CD GLN A 5 9.711 1.557 0.527 1.00 1.00 C ATOM 68 OE1 GLN A 5 10.656 0.793 0.542 1.00 1.00 O ATOM 69 NE2 GLN A 5 9.897 2.803 0.181 1.00 1.00 N ATOM 0 H GLN A 5 7.733 0.871 4.964 1.00 1.00 H new ATOM 0 HA GLN A 5 9.699 2.066 3.000 1.00 1.00 H new ATOM 0 HB2 GLN A 5 8.914 -0.211 2.530 1.00 1.00 H new ATOM 0 HB3 GLN A 5 7.249 0.321 2.649 1.00 1.00 H new ATOM 0 HG2 GLN A 5 7.986 0.276 0.260 1.00 1.00 H new ATOM 0 HG3 GLN A 5 7.587 1.911 0.748 1.00 1.00 H new ATOM 0 HE21 GLN A 5 9.109 3.451 0.166 1.00 1.00 H new ATOM 0 HE22 GLN A 5 10.830 3.128 -0.074 1.00 1.00 H new ATOM 78 N ARG A 6 8.285 4.129 3.163 1.00 1.00 N ATOM 79 CA ARG A 6 7.502 5.394 3.098 1.00 1.00 C ATOM 80 C ARG A 6 6.225 5.298 2.249 1.00 1.00 C ATOM 81 O ARG A 6 6.211 4.694 1.193 1.00 1.00 O ATOM 82 CB ARG A 6 8.429 6.501 2.541 1.00 1.00 C ATOM 83 CG ARG A 6 8.814 6.188 1.076 1.00 1.00 C ATOM 84 CD ARG A 6 9.956 7.103 0.608 1.00 1.00 C ATOM 85 NE ARG A 6 11.164 6.781 1.428 1.00 1.00 N ATOM 86 CZ ARG A 6 12.212 6.249 0.857 1.00 1.00 C ATOM 87 NH1 ARG A 6 12.220 4.962 0.640 1.00 1.00 N ATOM 88 NH2 ARG A 6 13.211 7.018 0.524 1.00 1.00 N ATOM 0 H ARG A 6 9.296 4.261 3.130 1.00 1.00 H new ATOM 0 HA ARG A 6 7.161 5.623 4.108 1.00 1.00 H new ATOM 0 HB2 ARG A 6 7.927 7.467 2.594 1.00 1.00 H new ATOM 0 HB3 ARG A 6 9.328 6.575 3.153 1.00 1.00 H new ATOM 0 HG2 ARG A 6 9.118 5.145 0.990 1.00 1.00 H new ATOM 0 HG3 ARG A 6 7.946 6.322 0.430 1.00 1.00 H new ATOM 0 HD2 ARG A 6 10.161 6.947 -0.451 1.00 1.00 H new ATOM 0 HD3 ARG A 6 9.680 8.151 0.729 1.00 1.00 H new ATOM 0 HE ARG A 6 11.170 6.976 2.429 1.00 1.00 H new ATOM 0 HH11 ARG A 6 11.419 4.393 0.915 1.00 1.00 H new ATOM 0 HH12 ARG A 6 13.027 4.525 0.196 1.00 1.00 H new ATOM 0 HH21 ARG A 6 13.167 8.020 0.710 1.00 1.00 H new ATOM 0 HH22 ARG A 6 14.036 6.618 0.078 1.00 1.00 H new ATOM 102 N CYS A 7 5.195 5.909 2.771 1.00 1.00 N ATOM 103 CA CYS A 7 3.878 5.925 2.090 1.00 1.00 C ATOM 104 C CYS A 7 3.537 7.343 1.635 1.00 1.00 C ATOM 105 O CYS A 7 3.988 8.308 2.220 1.00 1.00 O ATOM 106 CB CYS A 7 2.808 5.414 3.053 1.00 1.00 C ATOM 107 SG CYS A 7 1.106 5.809 2.593 1.00 1.00 S ATOM 0 H CYS A 7 5.217 6.407 3.661 1.00 1.00 H new ATOM 0 HA CYS A 7 3.917 5.279 1.213 1.00 1.00 H new ATOM 0 HB2 CYS A 7 2.903 4.331 3.135 1.00 1.00 H new ATOM 0 HB3 CYS A 7 3.005 5.827 4.042 1.00 1.00 H new ATOM 112 N TYR A 8 2.741 7.411 0.599 1.00 1.00 N ATOM 113 CA TYR A 8 2.301 8.714 0.023 1.00 1.00 C ATOM 114 C TYR A 8 0.773 8.701 0.139 1.00 1.00 C ATOM 115 O TYR A 8 0.177 9.573 0.738 1.00 1.00 O ATOM 116 CB TYR A 8 2.746 8.763 -1.426 1.00 1.00 C ATOM 117 CG TYR A 8 2.842 10.223 -1.905 1.00 1.00 C ATOM 118 CD1 TYR A 8 3.844 11.042 -1.419 1.00 1.00 C ATOM 119 CD2 TYR A 8 1.941 10.741 -2.814 1.00 1.00 C ATOM 120 CE1 TYR A 8 3.942 12.354 -1.837 1.00 1.00 C ATOM 121 CE2 TYR A 8 2.040 12.052 -3.231 1.00 1.00 C ATOM 122 CZ TYR A 8 3.041 12.867 -2.745 1.00 1.00 C ATOM 123 OH TYR A 8 3.142 14.180 -3.161 1.00 1.00 O ATOM 0 H TYR A 8 2.368 6.593 0.116 1.00 1.00 H new ATOM 0 HA TYR A 8 2.719 9.584 0.528 1.00 1.00 H new ATOM 0 HB2 TYR A 8 3.714 8.273 -1.533 1.00 1.00 H new ATOM 0 HB3 TYR A 8 2.040 8.214 -2.049 1.00 1.00 H new ATOM 0 HD1 TYR A 8 4.556 10.652 -0.707 1.00 1.00 H new ATOM 0 HD2 TYR A 8 1.152 10.114 -3.202 1.00 1.00 H new ATOM 0 HE1 TYR A 8 4.730 12.983 -1.450 1.00 1.00 H new ATOM 0 HE2 TYR A 8 1.329 12.443 -3.943 1.00 1.00 H new ATOM 0 HH TYR A 8 2.428 14.376 -3.803 1.00 1.00 H new ATOM 133 N ARG A 9 0.217 7.680 -0.454 1.00 1.00 N ATOM 134 CA ARG A 9 -1.258 7.469 -0.461 1.00 1.00 C ATOM 135 C ARG A 9 -1.514 6.142 0.268 1.00 1.00 C ATOM 136 O ARG A 9 -0.630 5.308 0.307 1.00 1.00 O ATOM 137 CB ARG A 9 -1.812 7.332 -1.912 1.00 1.00 C ATOM 138 CG ARG A 9 -0.958 8.054 -2.984 1.00 1.00 C ATOM 139 CD ARG A 9 0.133 7.087 -3.487 1.00 1.00 C ATOM 140 NE ARG A 9 1.029 7.812 -4.430 1.00 1.00 N ATOM 141 CZ ARG A 9 1.185 7.367 -5.648 1.00 1.00 C ATOM 142 NH1 ARG A 9 2.088 6.455 -5.871 1.00 1.00 N ATOM 143 NH2 ARG A 9 0.435 7.853 -6.596 1.00 1.00 N ATOM 0 H ARG A 9 0.743 6.960 -0.950 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.749 8.319 0.012 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -1.877 6.274 -2.166 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -2.826 7.730 -1.942 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -1.588 8.376 -3.813 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -0.502 8.950 -2.563 1.00 1.00 H new ATOM 0 HD2 ARG A 9 0.707 6.698 -2.646 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -0.323 6.231 -3.985 1.00 1.00 H new ATOM 0 HE ARG A 9 1.519 8.653 -4.126 1.00 1.00 H new ATOM 0 HH11 ARG A 9 2.657 6.102 -5.102 1.00 1.00 H new ATOM 0 HH12 ARG A 9 2.226 6.094 -6.815 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -0.259 8.569 -6.381 1.00 1.00 H new ATOM 0 HH22 ARG A 9 0.542 7.518 -7.553 1.00 1.00 H new ATOM 157 N SER A 10 -2.696 6.004 0.816 1.00 1.00 N ATOM 158 CA SER A 10 -3.103 4.764 1.567 1.00 1.00 C ATOM 159 C SER A 10 -2.330 3.482 1.185 1.00 1.00 C ATOM 160 O SER A 10 -1.746 2.866 2.056 1.00 1.00 O ATOM 161 CB SER A 10 -4.617 4.514 1.358 1.00 1.00 C ATOM 162 OG SER A 10 -5.236 5.609 2.016 1.00 1.00 O ATOM 0 H SER A 10 -3.422 6.720 0.775 1.00 1.00 H new ATOM 0 HA SER A 10 -2.858 4.963 2.610 1.00 1.00 H new ATOM 0 HB2 SER A 10 -4.875 4.486 0.299 1.00 1.00 H new ATOM 0 HB3 SER A 10 -4.928 3.562 1.787 1.00 1.00 H new ATOM 0 HG SER A 10 -6.209 5.533 1.932 1.00 1.00 H new ATOM 168 N PRO A 11 -2.334 3.104 -0.067 1.00 1.00 N ATOM 169 CA PRO A 11 -1.455 2.015 -0.557 1.00 1.00 C ATOM 170 C PRO A 11 0.033 2.377 -0.520 1.00 1.00 C ATOM 171 O PRO A 11 0.659 2.220 0.503 1.00 1.00 O ATOM 172 CB PRO A 11 -1.994 1.730 -1.970 1.00 1.00 C ATOM 173 CG PRO A 11 -2.455 3.137 -2.427 1.00 1.00 C ATOM 174 CD PRO A 11 -3.172 3.651 -1.180 1.00 1.00 C ATOM 0 HA PRO A 11 -1.487 1.130 0.078 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -1.226 1.319 -2.625 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.817 1.015 -1.957 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.614 3.772 -2.706 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -3.119 3.089 -3.290 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -3.214 4.740 -1.157 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -4.200 3.291 -1.127 1.00 1.00 H new ATOM 182 N ASP A 12 0.536 2.858 -1.631 1.00 1.00 N ATOM 183 CA ASP A 12 1.971 3.264 -1.809 1.00 1.00 C ATOM 184 C ASP A 12 2.899 2.237 -1.116 1.00 1.00 C ATOM 185 O ASP A 12 3.982 2.540 -0.652 1.00 1.00 O ATOM 186 CB ASP A 12 2.122 4.663 -1.203 1.00 1.00 C ATOM 187 CG ASP A 12 3.341 5.389 -1.806 1.00 1.00 C ATOM 188 OD1 ASP A 12 3.222 5.764 -2.961 1.00 1.00 O ATOM 189 OD2 ASP A 12 4.321 5.535 -1.093 1.00 1.00 O ATOM 0 H ASP A 12 -0.025 2.994 -2.472 1.00 1.00 H new ATOM 0 HA ASP A 12 2.253 3.287 -2.862 1.00 1.00 H new ATOM 0 HB2 ASP A 12 1.218 5.244 -1.387 1.00 1.00 H new ATOM 0 HB3 ASP A 12 2.236 4.586 -0.122 1.00 1.00 H new ATOM 194 N CYS A 13 2.377 1.041 -1.099 1.00 1.00 N ATOM 195 CA CYS A 13 3.039 -0.144 -0.494 1.00 1.00 C ATOM 196 C CYS A 13 2.372 -1.473 -0.902 1.00 1.00 C ATOM 197 O CYS A 13 3.027 -2.492 -0.856 1.00 1.00 O ATOM 198 CB CYS A 13 3.000 -0.031 1.013 1.00 1.00 C ATOM 199 SG CYS A 13 3.792 -1.383 1.916 1.00 1.00 S ATOM 0 H CYS A 13 1.465 0.831 -1.505 1.00 1.00 H new ATOM 0 HA CYS A 13 4.065 -0.156 -0.863 1.00 1.00 H new ATOM 0 HB2 CYS A 13 3.478 0.905 1.302 1.00 1.00 H new ATOM 0 HB3 CYS A 13 1.959 0.032 1.328 1.00 1.00 H new ATOM 204 N TYR A 14 1.112 -1.442 -1.276 1.00 1.00 N ATOM 205 CA TYR A 14 0.353 -2.670 -1.693 1.00 1.00 C ATOM 206 C TYR A 14 1.203 -3.627 -2.512 1.00 1.00 C ATOM 207 O TYR A 14 1.401 -4.752 -2.115 1.00 1.00 O ATOM 208 CB TYR A 14 -0.862 -2.233 -2.521 1.00 1.00 C ATOM 209 CG TYR A 14 -2.036 -1.712 -1.651 1.00 1.00 C ATOM 210 CD1 TYR A 14 -1.866 -1.319 -0.338 1.00 1.00 C ATOM 211 CD2 TYR A 14 -3.301 -1.635 -2.204 1.00 1.00 C ATOM 212 CE1 TYR A 14 -2.932 -0.863 0.393 1.00 1.00 C ATOM 213 CE2 TYR A 14 -4.369 -1.176 -1.460 1.00 1.00 C ATOM 214 CZ TYR A 14 -4.191 -0.788 -0.150 1.00 1.00 C ATOM 215 OH TYR A 14 -5.255 -0.330 0.594 1.00 1.00 O ATOM 0 H TYR A 14 0.559 -0.585 -1.310 1.00 1.00 H new ATOM 0 HA TYR A 14 0.047 -3.201 -0.792 1.00 1.00 H new ATOM 0 HB2 TYR A 14 -0.558 -1.451 -3.216 1.00 1.00 H new ATOM 0 HB3 TYR A 14 -1.208 -3.075 -3.120 1.00 1.00 H new ATOM 0 HD1 TYR A 14 -0.887 -1.371 0.116 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -3.455 -1.937 -3.229 1.00 1.00 H new ATOM 0 HE1 TYR A 14 -2.779 -0.556 1.417 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -5.350 -1.121 -1.907 1.00 1.00 H new ATOM 0 HH TYR A 14 -6.068 -0.345 0.046 1.00 1.00 H new ATOM 225 N SER A 15 1.657 -3.133 -3.628 1.00 1.00 N ATOM 226 CA SER A 15 2.522 -3.930 -4.560 1.00 1.00 C ATOM 227 C SER A 15 3.619 -4.694 -3.793 1.00 1.00 C ATOM 228 O SER A 15 3.901 -5.840 -4.081 1.00 1.00 O ATOM 229 CB SER A 15 3.150 -2.964 -5.579 1.00 1.00 C ATOM 230 OG SER A 15 3.892 -3.805 -6.450 1.00 1.00 O ATOM 0 H SER A 15 1.463 -2.184 -3.947 1.00 1.00 H new ATOM 0 HA SER A 15 1.912 -4.674 -5.072 1.00 1.00 H new ATOM 0 HB2 SER A 15 2.386 -2.406 -6.120 1.00 1.00 H new ATOM 0 HB3 SER A 15 3.793 -2.232 -5.089 1.00 1.00 H new ATOM 0 HG SER A 15 4.328 -3.260 -7.138 1.00 1.00 H new ATOM 236 N ALA A 16 4.205 -4.015 -2.839 1.00 1.00 N ATOM 237 CA ALA A 16 5.290 -4.637 -2.016 1.00 1.00 C ATOM 238 C ALA A 16 4.677 -5.707 -1.105 1.00 1.00 C ATOM 239 O ALA A 16 5.174 -6.813 -1.014 1.00 1.00 O ATOM 240 CB ALA A 16 5.975 -3.554 -1.164 1.00 1.00 C ATOM 0 H ALA A 16 3.978 -3.052 -2.593 1.00 1.00 H new ATOM 0 HA ALA A 16 6.032 -5.097 -2.669 1.00 1.00 H new ATOM 0 HB1 ALA A 16 6.765 -4.008 -0.565 1.00 1.00 H new ATOM 0 HB2 ALA A 16 6.406 -2.795 -1.817 1.00 1.00 H new ATOM 0 HB3 ALA A 16 5.241 -3.091 -0.505 1.00 1.00 H new ATOM 246 N CYS A 17 3.604 -5.339 -0.452 1.00 1.00 N ATOM 247 CA CYS A 17 2.912 -6.296 0.460 1.00 1.00 C ATOM 248 C CYS A 17 2.611 -7.556 -0.347 1.00 1.00 C ATOM 249 O CYS A 17 2.758 -8.648 0.150 1.00 1.00 O ATOM 250 CB CYS A 17 1.598 -5.696 0.988 1.00 1.00 C ATOM 251 SG CYS A 17 0.866 -6.585 2.387 1.00 1.00 S ATOM 0 H CYS A 17 3.177 -4.414 -0.512 1.00 1.00 H new ATOM 0 HA CYS A 17 3.546 -6.518 1.319 1.00 1.00 H new ATOM 0 HB2 CYS A 17 1.780 -4.664 1.287 1.00 1.00 H new ATOM 0 HB3 CYS A 17 0.874 -5.669 0.174 1.00 1.00 H new ATOM 256 N LYS A 18 2.196 -7.369 -1.580 1.00 1.00 N ATOM 257 CA LYS A 18 1.884 -8.516 -2.468 1.00 1.00 C ATOM 258 C LYS A 18 3.185 -9.308 -2.605 1.00 1.00 C ATOM 259 O LYS A 18 3.237 -10.494 -2.355 1.00 1.00 O ATOM 260 CB LYS A 18 1.424 -7.991 -3.833 1.00 1.00 C ATOM 261 CG LYS A 18 1.113 -9.194 -4.760 1.00 1.00 C ATOM 262 CD LYS A 18 0.266 -8.763 -5.964 1.00 1.00 C ATOM 263 CE LYS A 18 -1.155 -8.467 -5.479 1.00 1.00 C ATOM 264 NZ LYS A 18 -2.007 -8.077 -6.630 1.00 1.00 N ATOM 0 H LYS A 18 2.061 -6.452 -2.006 1.00 1.00 H new ATOM 0 HA LYS A 18 1.086 -9.142 -2.068 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.538 -7.367 -3.717 1.00 1.00 H new ATOM 0 HB3 LYS A 18 2.199 -7.365 -4.276 1.00 1.00 H new ATOM 0 HG2 LYS A 18 2.045 -9.638 -5.108 1.00 1.00 H new ATOM 0 HG3 LYS A 18 0.584 -9.963 -4.197 1.00 1.00 H new ATOM 0 HD2 LYS A 18 0.698 -7.879 -6.433 1.00 1.00 H new ATOM 0 HD3 LYS A 18 0.252 -9.550 -6.718 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -1.572 -9.346 -4.987 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -1.138 -7.666 -4.740 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -2.971 -7.877 -6.296 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -1.613 -7.227 -7.081 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -2.034 -8.854 -7.321 1.00 1.00 H new ATOM 278 N LYS A 19 4.195 -8.584 -3.009 1.00 1.00 N ATOM 279 CA LYS A 19 5.559 -9.166 -3.196 1.00 1.00 C ATOM 280 C LYS A 19 5.951 -10.007 -1.957 1.00 1.00 C ATOM 281 O LYS A 19 6.664 -10.982 -2.078 1.00 1.00 O ATOM 282 CB LYS A 19 6.552 -8.005 -3.415 1.00 1.00 C ATOM 283 CG LYS A 19 7.871 -8.563 -3.968 1.00 1.00 C ATOM 284 CD LYS A 19 8.922 -7.436 -4.146 1.00 1.00 C ATOM 285 CE LYS A 19 8.447 -6.366 -5.159 1.00 1.00 C ATOM 286 NZ LYS A 19 8.162 -6.985 -6.485 1.00 1.00 N ATOM 0 H LYS A 19 4.131 -7.589 -3.223 1.00 1.00 H new ATOM 0 HA LYS A 19 5.577 -9.827 -4.062 1.00 1.00 H new ATOM 0 HB2 LYS A 19 6.132 -7.278 -4.110 1.00 1.00 H new ATOM 0 HB3 LYS A 19 6.731 -7.482 -2.476 1.00 1.00 H new ATOM 0 HG2 LYS A 19 8.260 -9.324 -3.291 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.690 -9.051 -4.926 1.00 1.00 H new ATOM 0 HD2 LYS A 19 9.117 -6.964 -3.183 1.00 1.00 H new ATOM 0 HD3 LYS A 19 9.864 -7.867 -4.486 1.00 1.00 H new ATOM 0 HE2 LYS A 19 7.551 -5.874 -4.782 1.00 1.00 H new ATOM 0 HE3 LYS A 19 9.211 -5.597 -5.268 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 8.044 -6.238 -7.199 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 8.954 -7.602 -6.758 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 7.289 -7.548 -6.425 1.00 1.00 H new ATOM 300 N LEU A 20 5.463 -9.597 -0.805 1.00 1.00 N ATOM 301 CA LEU A 20 5.774 -10.331 0.459 1.00 1.00 C ATOM 302 C LEU A 20 4.842 -11.541 0.718 1.00 1.00 C ATOM 303 O LEU A 20 5.334 -12.625 0.971 1.00 1.00 O ATOM 304 CB LEU A 20 5.658 -9.348 1.651 1.00 1.00 C ATOM 305 CG LEU A 20 6.701 -8.200 1.551 1.00 1.00 C ATOM 306 CD1 LEU A 20 6.430 -7.185 2.684 1.00 1.00 C ATOM 307 CD2 LEU A 20 8.137 -8.747 1.724 1.00 1.00 C ATOM 0 H LEU A 20 4.861 -8.782 -0.691 1.00 1.00 H new ATOM 0 HA LEU A 20 6.785 -10.725 0.355 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.653 -8.926 1.679 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.802 -9.890 2.586 1.00 1.00 H new ATOM 0 HG LEU A 20 6.612 -7.731 0.571 1.00 1.00 H new ATOM 0 HD11 LEU A 20 7.155 -6.373 2.626 1.00 1.00 H new ATOM 0 HD12 LEU A 20 5.423 -6.781 2.577 1.00 1.00 H new ATOM 0 HD13 LEU A 20 6.520 -7.684 3.649 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.850 -7.926 1.650 1.00 1.00 H new ATOM 0 HD22 LEU A 20 8.230 -9.222 2.701 1.00 1.00 H new ATOM 0 HD23 LEU A 20 8.344 -9.479 0.943 1.00 1.00 H new ATOM 319 N VAL A 21 3.545 -11.342 0.647 1.00 1.00 N ATOM 320 CA VAL A 21 2.562 -12.454 0.885 1.00 1.00 C ATOM 321 C VAL A 21 1.808 -12.812 -0.403 1.00 1.00 C ATOM 322 O VAL A 21 1.671 -13.980 -0.716 1.00 1.00 O ATOM 323 CB VAL A 21 1.563 -12.009 2.015 1.00 1.00 C ATOM 324 CG1 VAL A 21 0.689 -10.795 1.616 1.00 1.00 C ATOM 325 CG2 VAL A 21 0.642 -13.191 2.397 1.00 1.00 C ATOM 0 H VAL A 21 3.118 -10.441 0.431 1.00 1.00 H new ATOM 0 HA VAL A 21 3.098 -13.349 1.201 1.00 1.00 H new ATOM 0 HB VAL A 21 2.174 -11.703 2.864 1.00 1.00 H new ATOM 0 HG11 VAL A 21 0.023 -10.540 2.440 1.00 1.00 H new ATOM 0 HG12 VAL A 21 1.331 -9.943 1.391 1.00 1.00 H new ATOM 0 HG13 VAL A 21 0.098 -11.046 0.736 1.00 1.00 H new ATOM 0 HG21 VAL A 21 -0.048 -12.876 3.180 1.00 1.00 H new ATOM 0 HG22 VAL A 21 0.076 -13.509 1.521 1.00 1.00 H new ATOM 0 HG23 VAL A 21 1.248 -14.022 2.759 1.00 1.00 H new ATOM 335 N GLY A 22 1.346 -11.812 -1.113 1.00 1.00 N ATOM 336 CA GLY A 22 0.603 -12.030 -2.387 1.00 1.00 C ATOM 337 C GLY A 22 -0.726 -11.276 -2.492 1.00 1.00 C ATOM 338 O GLY A 22 -1.551 -11.644 -3.305 1.00 1.00 O ATOM 0 H GLY A 22 1.457 -10.832 -0.854 1.00 1.00 H new ATOM 0 HA2 GLY A 22 1.241 -11.731 -3.219 1.00 1.00 H new ATOM 0 HA3 GLY A 22 0.410 -13.097 -2.501 1.00 1.00 H new ATOM 342 N LYS A 23 -0.906 -10.258 -1.683 1.00 1.00 N ATOM 343 CA LYS A 23 -2.180 -9.462 -1.720 1.00 1.00 C ATOM 344 C LYS A 23 -1.919 -7.948 -1.718 1.00 1.00 C ATOM 345 O LYS A 23 -1.216 -7.447 -0.861 1.00 1.00 O ATOM 346 CB LYS A 23 -3.050 -9.789 -0.500 1.00 1.00 C ATOM 347 CG LYS A 23 -3.452 -11.289 -0.445 1.00 1.00 C ATOM 348 CD LYS A 23 -4.379 -11.703 -1.625 1.00 1.00 C ATOM 349 CE LYS A 23 -5.712 -10.920 -1.607 1.00 1.00 C ATOM 350 NZ LYS A 23 -6.432 -11.138 -0.319 1.00 1.00 N ATOM 0 H LYS A 23 -0.223 -9.941 -0.995 1.00 1.00 H new ATOM 0 HA LYS A 23 -2.687 -9.735 -2.645 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -2.509 -9.527 0.409 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -3.950 -9.175 -0.524 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -2.552 -11.904 -0.462 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -3.959 -11.491 0.499 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -3.866 -11.526 -2.570 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -4.584 -12.772 -1.569 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -5.517 -9.857 -1.745 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -6.339 -11.240 -2.439 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -7.409 -10.793 -0.405 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -6.441 -12.153 -0.094 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -5.948 -10.619 0.441 1.00 1.00 H new ATOM 364 N ALA A 24 -2.490 -7.291 -2.697 1.00 1.00 N ATOM 365 CA ALA A 24 -2.369 -5.802 -2.870 1.00 1.00 C ATOM 366 C ALA A 24 -3.204 -5.081 -1.791 1.00 1.00 C ATOM 367 O ALA A 24 -4.211 -4.462 -2.087 1.00 1.00 O ATOM 368 CB ALA A 24 -2.865 -5.422 -4.282 1.00 1.00 C ATOM 0 H ALA A 24 -3.059 -7.742 -3.414 1.00 1.00 H new ATOM 0 HA ALA A 24 -1.329 -5.497 -2.759 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.782 -4.344 -4.419 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -2.257 -5.931 -5.030 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -3.907 -5.723 -4.395 1.00 1.00 H new ATOM 374 N THR A 25 -2.761 -5.186 -0.571 1.00 1.00 N ATOM 375 CA THR A 25 -3.473 -4.545 0.572 1.00 1.00 C ATOM 376 C THR A 25 -2.471 -3.861 1.496 1.00 1.00 C ATOM 377 O THR A 25 -1.300 -3.748 1.184 1.00 1.00 O ATOM 378 CB THR A 25 -4.279 -5.669 1.299 1.00 1.00 C ATOM 379 OG1 THR A 25 -4.987 -5.103 2.392 1.00 1.00 O ATOM 380 CG2 THR A 25 -3.370 -6.746 1.926 1.00 1.00 C ATOM 0 H THR A 25 -1.919 -5.699 -0.311 1.00 1.00 H new ATOM 0 HA THR A 25 -4.159 -3.768 0.234 1.00 1.00 H new ATOM 0 HB THR A 25 -4.924 -6.116 0.543 1.00 1.00 H new ATOM 0 HG1 THR A 25 -5.544 -4.362 2.073 1.00 1.00 H new ATOM 0 HG21 THR A 25 -3.985 -7.500 2.417 1.00 1.00 H new ATOM 0 HG22 THR A 25 -2.772 -7.217 1.146 1.00 1.00 H new ATOM 0 HG23 THR A 25 -2.710 -6.283 2.659 1.00 1.00 H new ATOM 388 N GLY A 26 -2.998 -3.429 2.607 1.00 1.00 N ATOM 389 CA GLY A 26 -2.188 -2.734 3.651 1.00 1.00 C ATOM 390 C GLY A 26 -2.707 -1.344 3.992 1.00 1.00 C ATOM 391 O GLY A 26 -3.704 -0.891 3.460 1.00 1.00 O ATOM 0 H GLY A 26 -3.985 -3.531 2.843 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -2.177 -3.342 4.556 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -1.157 -2.655 3.307 1.00 1.00 H new ATOM 395 N LYS A 27 -1.997 -0.718 4.896 1.00 1.00 N ATOM 396 CA LYS A 27 -2.357 0.648 5.341 1.00 1.00 C ATOM 397 C LYS A 27 -1.129 1.567 5.330 1.00 1.00 C ATOM 398 O LYS A 27 -0.009 1.143 5.139 1.00 1.00 O ATOM 399 CB LYS A 27 -2.943 0.575 6.770 1.00 1.00 C ATOM 400 CG LYS A 27 -4.222 -0.282 6.775 1.00 1.00 C ATOM 401 CD LYS A 27 -4.794 -0.325 8.206 1.00 1.00 C ATOM 402 CE LYS A 27 -6.074 -1.175 8.215 1.00 1.00 C ATOM 403 NZ LYS A 27 -6.648 -1.214 9.590 1.00 1.00 N ATOM 0 H LYS A 27 -1.170 -1.109 5.348 1.00 1.00 H new ATOM 0 HA LYS A 27 -3.097 1.060 4.655 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -2.207 0.148 7.452 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -3.167 1.579 7.131 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -4.958 0.136 6.088 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -4.000 -1.291 6.428 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -4.059 -0.747 8.891 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -5.012 0.685 8.554 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -6.802 -0.758 7.519 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -5.851 -2.187 7.876 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -7.514 -1.791 9.589 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -5.955 -1.631 10.244 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -6.877 -0.247 9.898 1.00 1.00 H new ATOM 417 N CYS A 28 -1.421 2.821 5.551 1.00 1.00 N ATOM 418 CA CYS A 28 -0.404 3.911 5.598 1.00 1.00 C ATOM 419 C CYS A 28 -0.526 4.334 7.039 1.00 1.00 C ATOM 420 O CYS A 28 -1.524 4.878 7.475 1.00 1.00 O ATOM 421 CB CYS A 28 -0.829 4.987 4.653 1.00 1.00 C ATOM 422 SG CYS A 28 0.230 6.406 4.310 1.00 1.00 S ATOM 0 H CYS A 28 -2.374 3.148 5.709 1.00 1.00 H new ATOM 0 HA CYS A 28 0.615 3.648 5.314 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -1.036 4.506 3.697 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.776 5.380 5.024 1.00 1.00 H new ATOM 427 N THR A 29 0.524 4.047 7.720 1.00 1.00 N ATOM 428 CA THR A 29 0.594 4.372 9.179 1.00 1.00 C ATOM 429 C THR A 29 1.909 5.052 9.439 1.00 1.00 C ATOM 430 O THR A 29 2.934 4.514 9.086 1.00 1.00 O ATOM 431 CB THR A 29 0.487 3.069 9.948 1.00 1.00 C ATOM 432 OG1 THR A 29 -0.717 2.488 9.485 1.00 1.00 O ATOM 433 CG2 THR A 29 0.251 3.277 11.435 1.00 1.00 C ATOM 0 H THR A 29 1.356 3.596 7.339 1.00 1.00 H new ATOM 0 HA THR A 29 -0.212 5.036 9.493 1.00 1.00 H new ATOM 0 HB THR A 29 1.403 2.496 9.807 1.00 1.00 H new ATOM 0 HG1 THR A 29 -1.029 1.822 10.133 1.00 1.00 H new ATOM 0 HG21 THR A 29 0.183 2.309 11.932 1.00 1.00 H new ATOM 0 HG22 THR A 29 1.079 3.845 11.859 1.00 1.00 H new ATOM 0 HG23 THR A 29 -0.679 3.826 11.582 1.00 1.00 H new ATOM 441 N ASN A 30 1.820 6.190 10.071 1.00 1.00 N ATOM 442 CA ASN A 30 3.005 7.035 10.420 1.00 1.00 C ATOM 443 C ASN A 30 3.966 7.192 9.233 1.00 1.00 C ATOM 444 O ASN A 30 5.172 7.104 9.352 1.00 1.00 O ATOM 445 CB ASN A 30 3.729 6.402 11.634 1.00 1.00 C ATOM 446 CG ASN A 30 4.196 4.955 11.430 1.00 1.00 C ATOM 447 OD1 ASN A 30 5.095 4.681 10.668 1.00 1.00 O ATOM 448 ND2 ASN A 30 3.608 4.001 12.095 1.00 1.00 N ATOM 0 H ASN A 30 0.932 6.589 10.375 1.00 1.00 H new ATOM 0 HA ASN A 30 2.658 8.036 10.676 1.00 1.00 H new ATOM 0 HB2 ASN A 30 4.595 7.016 11.881 1.00 1.00 H new ATOM 0 HB3 ASN A 30 3.060 6.434 12.494 1.00 1.00 H new ATOM 0 HD21 ASN A 30 3.907 3.034 11.971 1.00 1.00 H new ATOM 0 HD22 ASN A 30 2.849 4.222 12.740 1.00 1.00 H new ATOM 455 N GLY A 31 3.347 7.434 8.106 1.00 1.00 N ATOM 456 CA GLY A 31 4.075 7.621 6.832 1.00 1.00 C ATOM 457 C GLY A 31 4.854 6.377 6.418 1.00 1.00 C ATOM 458 O GLY A 31 5.694 6.461 5.548 1.00 1.00 O ATOM 0 H GLY A 31 2.333 7.511 8.023 1.00 1.00 H new ATOM 0 HA2 GLY A 31 3.365 7.880 6.046 1.00 1.00 H new ATOM 0 HA3 GLY A 31 4.763 8.461 6.930 1.00 1.00 H new ATOM 462 N ARG A 32 4.564 5.272 7.048 1.00 1.00 N ATOM 463 CA ARG A 32 5.251 3.991 6.723 1.00 1.00 C ATOM 464 C ARG A 32 4.188 2.945 6.473 1.00 1.00 C ATOM 465 O ARG A 32 3.043 3.118 6.826 1.00 1.00 O ATOM 466 CB ARG A 32 6.093 3.546 7.877 1.00 1.00 C ATOM 467 CG ARG A 32 7.207 4.575 8.112 1.00 1.00 C ATOM 468 CD ARG A 32 7.949 4.182 9.370 1.00 1.00 C ATOM 469 NE ARG A 32 9.244 4.922 9.398 1.00 1.00 N ATOM 470 CZ ARG A 32 10.368 4.259 9.353 1.00 1.00 C ATOM 471 NH1 ARG A 32 10.733 3.718 8.226 1.00 1.00 N ATOM 472 NH2 ARG A 32 11.084 4.156 10.437 1.00 1.00 N ATOM 0 H ARG A 32 3.866 5.202 7.789 1.00 1.00 H new ATOM 0 HA ARG A 32 5.888 4.128 5.850 1.00 1.00 H new ATOM 0 HB2 ARG A 32 5.480 3.444 8.773 1.00 1.00 H new ATOM 0 HB3 ARG A 32 6.524 2.566 7.672 1.00 1.00 H new ATOM 0 HG2 ARG A 32 7.887 4.601 7.261 1.00 1.00 H new ATOM 0 HG3 ARG A 32 6.786 5.575 8.215 1.00 1.00 H new ATOM 0 HD2 ARG A 32 7.355 4.422 10.252 1.00 1.00 H new ATOM 0 HD3 ARG A 32 8.125 3.106 9.387 1.00 1.00 H new ATOM 0 HE ARG A 32 9.251 5.941 9.452 1.00 1.00 H new ATOM 0 HH11 ARG A 32 10.144 3.816 7.399 1.00 1.00 H new ATOM 0 HH12 ARG A 32 11.608 3.196 8.170 1.00 1.00 H new ATOM 0 HH21 ARG A 32 10.764 4.590 11.303 1.00 1.00 H new ATOM 0 HH22 ARG A 32 11.965 3.642 10.420 1.00 1.00 H new ATOM 486 N CYS A 33 4.596 1.875 5.863 1.00 1.00 N ATOM 487 CA CYS A 33 3.610 0.799 5.575 1.00 1.00 C ATOM 488 C CYS A 33 3.169 0.001 6.789 1.00 1.00 C ATOM 489 O CYS A 33 3.944 -0.288 7.679 1.00 1.00 O ATOM 490 CB CYS A 33 4.170 -0.200 4.612 1.00 1.00 C ATOM 491 SG CYS A 33 3.026 -1.320 3.781 1.00 1.00 S ATOM 0 H CYS A 33 5.552 1.697 5.554 1.00 1.00 H new ATOM 0 HA CYS A 33 2.752 1.339 5.173 1.00 1.00 H new ATOM 0 HB2 CYS A 33 4.716 0.348 3.844 1.00 1.00 H new ATOM 0 HB3 CYS A 33 4.899 -0.807 5.149 1.00 1.00 H new ATOM 496 N ASP A 34 1.910 -0.310 6.747 1.00 1.00 N ATOM 497 CA ASP A 34 1.261 -1.106 7.813 1.00 1.00 C ATOM 498 C ASP A 34 0.386 -2.162 7.126 1.00 1.00 C ATOM 499 O ASP A 34 -0.813 -2.007 7.068 1.00 1.00 O ATOM 500 CB ASP A 34 0.455 -0.144 8.665 1.00 1.00 C ATOM 501 CG ASP A 34 -0.257 -0.871 9.814 1.00 1.00 C ATOM 502 OD1 ASP A 34 0.445 -1.356 10.682 1.00 1.00 O ATOM 503 OD2 ASP A 34 -1.476 -0.898 9.759 1.00 1.00 O ATOM 0 H ASP A 34 1.284 -0.035 5.990 1.00 1.00 H new ATOM 0 HA ASP A 34 1.970 -1.622 8.461 1.00 1.00 H new ATOM 0 HB2 ASP A 34 1.114 0.623 9.071 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.282 0.365 8.043 1.00 1.00 H new ATOM 508 N CYS A 35 1.003 -3.204 6.612 1.00 1.00 N ATOM 509 CA CYS A 35 0.204 -4.273 5.924 1.00 1.00 C ATOM 510 C CYS A 35 0.412 -5.647 6.594 1.00 1.00 C ATOM 511 O CYS A 35 0.356 -6.646 5.894 1.00 1.00 O ATOM 512 CB CYS A 35 0.646 -4.271 4.438 1.00 1.00 C ATOM 513 SG CYS A 35 -0.344 -5.241 3.279 1.00 1.00 S ATOM 514 OXT CYS A 35 0.608 -5.623 7.799 1.00 1.00 O ATOM 0 H CYS A 35 2.011 -3.359 6.638 1.00 1.00 H new ATOM 0 HA CYS A 35 -0.865 -4.074 5.998 1.00 1.00 H new ATOM 0 HB2 CYS A 35 0.657 -3.238 4.090 1.00 1.00 H new ATOM 0 HB3 CYS A 35 1.673 -4.634 4.391 1.00 1.00 H new TER 519 CYS A 35