USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 266 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 5 ASN : amide:sc= -0.073 X(o=-0.073,f=-0.055) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 48:sc= 0.296 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0.389 (180deg=0.388) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0779 X(o=-0.078,f=0.078) USER MOD Single : A 32 LYS NZ :NH3+ -121:sc= -0.0356 (180deg=-0.959) USER MOD Single : A 34 HIS : no HE2:sc= -0.104 K(o=-0.1,f=-1.3) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 9 N VAL A 2 -10.216 -1.846 -5.751 1.00 0.00 N ATOM 10 CA VAL A 2 -8.977 -1.752 -4.939 1.00 0.00 C ATOM 11 C VAL A 2 -8.768 -0.307 -4.430 1.00 0.00 C ATOM 12 O VAL A 2 -7.793 0.370 -4.764 1.00 0.00 O ATOM 13 CB VAL A 2 -7.746 -2.258 -5.741 1.00 0.00 C ATOM 14 CG1 VAL A 2 -7.696 -3.792 -5.801 1.00 0.00 C ATOM 15 CG2 VAL A 2 -7.590 -1.676 -7.161 1.00 0.00 C ATOM 0 HA VAL A 2 -9.087 -2.399 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.899 -1.877 -5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.821 -4.106 -6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.634 -4.194 -4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.598 -4.167 -6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.700 -2.096 -7.631 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.468 -1.928 -7.756 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.492 -0.592 -7.101 1.00 0.00 H new ATOM 25 N GLU A 3 -9.742 0.180 -3.663 1.00 0.00 N ATOM 26 CA GLU A 3 -9.645 1.546 -3.092 1.00 0.00 C ATOM 27 C GLU A 3 -10.220 1.584 -1.668 1.00 0.00 C ATOM 28 O GLU A 3 -11.308 2.137 -1.474 1.00 0.00 O ATOM 29 CB GLU A 3 -10.329 2.587 -4.011 1.00 0.00 C ATOM 30 CG GLU A 3 -9.625 2.818 -5.359 1.00 0.00 C ATOM 31 CD GLU A 3 -10.280 3.943 -6.155 1.00 0.00 C ATOM 32 OE1 GLU A 3 -11.170 3.758 -6.983 1.00 0.00 O ATOM 33 OE2 GLU A 3 -9.758 5.170 -5.838 1.00 0.00 O ATOM 0 H GLU A 3 -10.593 -0.327 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.590 1.813 -3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.353 2.265 -4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.387 3.537 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.576 3.059 -5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.648 1.898 -5.943 1.00 0.00 H new ATOM 41 N ILE A 4 -9.572 0.950 -0.683 1.00 0.00 N ATOM 42 CA ILE A 4 -10.115 1.042 0.714 1.00 0.00 C ATOM 43 C ILE A 4 -9.159 1.999 1.469 1.00 0.00 C ATOM 44 O ILE A 4 -8.805 1.784 2.630 1.00 0.00 O ATOM 45 CB ILE A 4 -10.225 -0.357 1.381 1.00 0.00 C ATOM 46 CG1 ILE A 4 -10.821 -1.441 0.443 1.00 0.00 C ATOM 47 CG2 ILE A 4 -11.075 -0.252 2.667 1.00 0.00 C ATOM 48 CD1 ILE A 4 -11.010 -2.820 1.083 1.00 0.00 C ATOM 0 H ILE A 4 -8.723 0.396 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 4 -11.134 1.428 0.729 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.210 -0.675 1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -11.787 -1.092 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.170 -1.546 -0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -11.151 -1.234 3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -10.602 0.444 3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -12.072 0.109 2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -11.431 -3.507 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -10.046 -3.198 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.688 -2.737 1.933 1.00 0.00 H new ATOM 60 N ASN A 5 -8.761 3.076 0.795 1.00 0.00 N ATOM 61 CA ASN A 5 -7.657 3.893 1.276 1.00 0.00 C ATOM 62 C ASN A 5 -7.952 5.303 1.800 1.00 0.00 C ATOM 63 O ASN A 5 -8.500 6.169 1.115 1.00 0.00 O ATOM 64 CB ASN A 5 -6.681 3.874 0.072 1.00 0.00 C ATOM 65 CG ASN A 5 -6.894 4.900 -1.056 1.00 0.00 C ATOM 66 OD1 ASN A 5 -6.334 5.996 -1.034 1.00 0.00 O ATOM 67 ND2 ASN A 5 -7.687 4.560 -2.058 1.00 0.00 N ATOM 0 H ASN A 5 -9.183 3.398 -0.076 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.267 3.474 2.204 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.672 4.011 0.460 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.720 2.879 -0.372 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.842 5.210 -2.829 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.143 3.648 -2.060 1.00 0.00 H new ATOM 74 N VAL A 6 -7.585 5.479 3.068 1.00 0.00 N ATOM 75 CA VAL A 6 -7.625 6.794 3.726 1.00 0.00 C ATOM 76 C VAL A 6 -6.288 6.826 4.496 1.00 0.00 C ATOM 77 O VAL A 6 -6.269 6.857 5.727 1.00 0.00 O ATOM 78 CB VAL A 6 -8.896 7.042 4.586 1.00 0.00 C ATOM 79 CG1 VAL A 6 -10.121 7.332 3.704 1.00 0.00 C ATOM 80 CG2 VAL A 6 -9.240 5.912 5.577 1.00 0.00 C ATOM 0 H VAL A 6 -7.253 4.724 3.668 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.713 7.623 3.024 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.645 7.916 5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.993 7.501 4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -9.933 8.220 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.307 6.481 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.141 6.176 6.131 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.410 4.986 5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.413 5.775 6.274 1.00 0.00 H new ATOM 90 N LYS A 7 -5.185 6.798 3.718 1.00 0.00 N ATOM 91 CA LYS A 7 -3.784 6.769 4.215 1.00 0.00 C ATOM 92 C LYS A 7 -3.543 5.551 5.144 1.00 0.00 C ATOM 93 O LYS A 7 -4.082 5.477 6.250 1.00 0.00 O ATOM 94 CB LYS A 7 -3.313 8.118 4.816 1.00 0.00 C ATOM 95 CG LYS A 7 -4.103 8.682 6.006 1.00 0.00 C ATOM 96 CD LYS A 7 -3.412 9.897 6.638 1.00 0.00 C ATOM 97 CE LYS A 7 -4.217 10.455 7.819 1.00 0.00 C ATOM 98 NZ LYS A 7 -3.536 11.617 8.410 1.00 0.00 N ATOM 0 H LYS A 7 -5.241 6.795 2.700 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.141 6.630 3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.275 8.003 5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.327 8.863 4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.102 8.966 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.226 7.904 6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.416 9.614 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.283 10.675 5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.213 10.743 7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.347 9.681 8.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.097 11.980 9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.595 11.332 8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.434 12.362 7.692 1.00 0.00 H new ATOM 111 N CYS A 8 -2.747 4.574 4.685 1.00 0.00 N ATOM 112 CA CYS A 8 -2.496 3.372 5.491 1.00 0.00 C ATOM 113 C CYS A 8 -1.108 2.833 5.160 1.00 0.00 C ATOM 114 O CYS A 8 -0.900 2.201 4.119 1.00 0.00 O ATOM 115 CB CYS A 8 -3.538 2.286 5.211 1.00 0.00 C ATOM 116 SG CYS A 8 -3.088 0.890 6.280 1.00 0.00 S ATOM 0 H CYS A 8 -2.276 4.590 3.781 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.561 3.643 6.545 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.544 2.642 5.433 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.528 1.995 4.161 1.00 0.00 H new ATOM 121 N SER A 9 -0.166 3.076 6.071 1.00 0.00 N ATOM 122 CA SER A 9 1.212 2.594 5.877 1.00 0.00 C ATOM 123 C SER A 9 1.462 1.304 6.679 1.00 0.00 C ATOM 124 O SER A 9 2.243 1.279 7.634 1.00 0.00 O ATOM 125 CB SER A 9 2.197 3.734 6.196 1.00 0.00 C ATOM 126 OG SER A 9 2.152 4.109 7.569 1.00 0.00 O ATOM 0 H SER A 9 -0.321 3.593 6.936 1.00 0.00 H new ATOM 0 HA SER A 9 1.374 2.316 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.209 3.421 5.938 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.963 4.599 5.576 1.00 0.00 H new ATOM 0 HG SER A 9 2.195 3.306 8.129 1.00 0.00 H new ATOM 132 N GLY A 10 0.752 0.228 6.299 1.00 0.00 N ATOM 133 CA GLY A 10 0.987 -1.086 6.890 1.00 0.00 C ATOM 134 C GLY A 10 1.819 -1.702 5.770 1.00 0.00 C ATOM 135 O GLY A 10 1.285 -2.383 4.892 1.00 0.00 O ATOM 0 H GLY A 10 0.018 0.249 5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.527 -1.033 7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.064 -1.634 7.080 1.00 0.00 H new ATOM 139 N SER A 11 3.116 -1.357 5.771 1.00 0.00 N ATOM 140 CA SER A 11 4.056 -1.810 4.724 1.00 0.00 C ATOM 141 C SER A 11 3.992 -3.351 4.641 1.00 0.00 C ATOM 142 O SER A 11 3.203 -3.709 3.795 1.00 0.00 O ATOM 143 CB SER A 11 5.421 -1.143 4.966 1.00 0.00 C ATOM 144 OG SER A 11 5.359 0.233 4.610 1.00 0.00 O ATOM 0 H SER A 11 3.542 -0.765 6.484 1.00 0.00 H new ATOM 0 HA SER A 11 3.795 -1.490 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.704 -1.244 6.014 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.190 -1.645 4.379 1.00 0.00 H new ATOM 0 HG SER A 11 6.231 0.651 4.768 1.00 0.00 H new ATOM 150 N PRO A 12 4.627 -4.307 5.354 1.00 0.00 N ATOM 151 CA PRO A 12 4.320 -5.747 5.157 1.00 0.00 C ATOM 152 C PRO A 12 2.855 -6.065 5.555 1.00 0.00 C ATOM 153 O PRO A 12 2.476 -6.399 6.678 1.00 0.00 O ATOM 154 CB PRO A 12 5.451 -6.481 5.884 1.00 0.00 C ATOM 155 CG PRO A 12 6.289 -5.391 6.551 1.00 0.00 C ATOM 156 CD PRO A 12 6.041 -4.191 5.645 1.00 0.00 C ATOM 0 HA PRO A 12 4.319 -6.089 4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.054 -7.177 6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.051 -7.065 5.186 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.968 -5.201 7.575 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.345 -5.658 6.592 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.277 -3.251 6.143 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.647 -4.233 4.740 1.00 0.00 H new ATOM 164 N GLN A 13 2.095 -5.875 4.483 1.00 0.00 N ATOM 165 CA GLN A 13 0.640 -5.929 4.367 1.00 0.00 C ATOM 166 C GLN A 13 0.403 -5.488 2.915 1.00 0.00 C ATOM 167 O GLN A 13 -0.038 -6.290 2.093 1.00 0.00 O ATOM 168 CB GLN A 13 -0.133 -5.018 5.367 1.00 0.00 C ATOM 169 CG GLN A 13 -0.765 -5.855 6.478 1.00 0.00 C ATOM 170 CD GLN A 13 -1.730 -5.036 7.337 1.00 0.00 C ATOM 171 OE1 GLN A 13 -2.895 -4.846 6.988 1.00 0.00 O ATOM 172 NE2 GLN A 13 -1.264 -4.535 8.468 1.00 0.00 N ATOM 0 H GLN A 13 2.524 -5.658 3.583 1.00 0.00 H new ATOM 0 HA GLN A 13 0.262 -6.922 4.612 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.547 -4.284 5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.907 -4.462 4.838 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.298 -6.698 6.038 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.020 -6.270 7.110 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.295 -4.704 8.740 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.873 -3.980 9.069 1.00 0.00 H new ATOM 181 N CYS A 14 0.793 -4.255 2.576 1.00 0.00 N ATOM 182 CA CYS A 14 0.717 -3.793 1.194 1.00 0.00 C ATOM 183 C CYS A 14 2.112 -3.966 0.604 1.00 0.00 C ATOM 184 O CYS A 14 2.298 -4.604 -0.436 1.00 0.00 O ATOM 185 CB CYS A 14 0.497 -2.290 0.997 1.00 0.00 C ATOM 186 SG CYS A 14 1.178 -1.117 2.141 1.00 0.00 S ATOM 0 H CYS A 14 1.160 -3.568 3.235 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.114 -4.349 0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.883 -2.036 0.010 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.580 -2.124 0.971 1.00 0.00 H new ATOM 191 N LEU A 15 3.076 -3.325 1.273 1.00 0.00 N ATOM 192 CA LEU A 15 4.445 -3.364 0.838 1.00 0.00 C ATOM 193 C LEU A 15 4.989 -4.801 0.781 1.00 0.00 C ATOM 194 O LEU A 15 5.980 -4.970 0.086 1.00 0.00 O ATOM 195 CB LEU A 15 5.371 -2.500 1.715 1.00 0.00 C ATOM 196 CG LEU A 15 6.642 -2.049 0.974 1.00 0.00 C ATOM 197 CD1 LEU A 15 6.324 -0.988 -0.090 1.00 0.00 C ATOM 198 CD2 LEU A 15 7.690 -1.515 1.959 1.00 0.00 C ATOM 0 H LEU A 15 2.916 -2.776 2.118 1.00 0.00 H new ATOM 0 HA LEU A 15 4.442 -2.946 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.824 -1.621 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.655 -3.065 2.603 1.00 0.00 H new ATOM 0 HG LEU A 15 7.052 -2.923 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.244 -0.691 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.627 -1.401 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.875 -0.117 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.579 -1.203 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.279 -0.663 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.957 -2.300 2.667 1.00 0.00 H new ATOM 210 N LYS A 16 4.448 -5.844 1.459 1.00 0.00 N ATOM 211 CA LYS A 16 5.010 -7.210 1.212 1.00 0.00 C ATOM 212 C LYS A 16 4.808 -7.491 -0.317 1.00 0.00 C ATOM 213 O LYS A 16 5.830 -7.505 -1.012 1.00 0.00 O ATOM 214 CB LYS A 16 4.515 -8.242 2.251 1.00 0.00 C ATOM 215 CG LYS A 16 5.173 -9.632 2.163 1.00 0.00 C ATOM 216 CD LYS A 16 4.583 -10.569 1.094 1.00 0.00 C ATOM 217 CE LYS A 16 5.222 -11.965 1.087 1.00 0.00 C ATOM 218 NZ LYS A 16 6.619 -11.936 0.617 1.00 0.00 N ATOM 0 H LYS A 16 3.683 -5.787 2.132 1.00 0.00 H new ATOM 0 HA LYS A 16 6.082 -7.295 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.687 -7.839 3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.438 -8.360 2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.236 -9.501 1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.090 -10.118 3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.511 -10.669 1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.711 -10.114 0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.188 -12.383 2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.639 -12.626 0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.009 -12.900 0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.651 -11.561 -0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.183 -11.326 1.243 1.00 0.00 H new ATOM 231 N PRO A 17 3.602 -7.587 -0.927 1.00 0.00 N ATOM 232 CA PRO A 17 3.477 -7.706 -2.400 1.00 0.00 C ATOM 233 C PRO A 17 4.136 -6.550 -3.213 1.00 0.00 C ATOM 234 O PRO A 17 4.636 -6.800 -4.312 1.00 0.00 O ATOM 235 CB PRO A 17 1.957 -7.809 -2.573 1.00 0.00 C ATOM 236 CG PRO A 17 1.559 -8.631 -1.356 1.00 0.00 C ATOM 237 CD PRO A 17 2.369 -7.986 -0.233 1.00 0.00 C ATOM 0 HA PRO A 17 4.024 -8.557 -2.805 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.479 -6.829 -2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.684 -8.302 -3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.487 -8.577 -1.164 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.808 -9.685 -1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.852 -7.131 0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.567 -8.685 0.579 1.00 0.00 H new ATOM 245 N CYS A 18 4.150 -5.308 -2.692 1.00 0.00 N ATOM 246 CA CYS A 18 4.829 -4.174 -3.350 1.00 0.00 C ATOM 247 C CYS A 18 6.211 -3.911 -2.693 1.00 0.00 C ATOM 248 O CYS A 18 6.577 -2.756 -2.467 1.00 0.00 O ATOM 249 CB CYS A 18 3.947 -2.914 -3.251 1.00 0.00 C ATOM 250 SG CYS A 18 4.804 -1.484 -3.982 1.00 0.00 S ATOM 0 H CYS A 18 3.696 -5.063 -1.812 1.00 0.00 H new ATOM 0 HA CYS A 18 4.989 -4.420 -4.400 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.001 -3.082 -3.766 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.709 -2.709 -2.207 1.00 0.00 H new ATOM 255 N LYS A 19 7.018 -4.950 -2.394 1.00 0.00 N ATOM 256 CA LYS A 19 8.400 -4.738 -1.848 1.00 0.00 C ATOM 257 C LYS A 19 9.351 -4.481 -3.054 1.00 0.00 C ATOM 258 O LYS A 19 10.405 -5.082 -3.265 1.00 0.00 O ATOM 259 CB LYS A 19 8.833 -5.931 -0.956 1.00 0.00 C ATOM 260 CG LYS A 19 9.002 -5.527 0.520 1.00 0.00 C ATOM 261 CD LYS A 19 9.080 -6.732 1.469 1.00 0.00 C ATOM 262 CE LYS A 19 8.765 -6.320 2.914 1.00 0.00 C ATOM 263 NZ LYS A 19 8.886 -7.469 3.824 1.00 0.00 N ATOM 0 H LYS A 19 6.756 -5.929 -2.513 1.00 0.00 H new ATOM 0 HA LYS A 19 8.436 -3.869 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.090 -6.725 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.773 -6.338 -1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.908 -4.930 0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.166 -4.893 0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.377 -7.500 1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.076 -7.172 1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.446 -5.529 3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.756 -5.912 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.669 -7.167 4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.219 -8.213 3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.856 -7.841 3.786 1.00 0.00 H new ATOM 276 N ASP A 20 8.878 -3.500 -3.810 1.00 0.00 N ATOM 277 CA ASP A 20 9.439 -3.046 -5.083 1.00 0.00 C ATOM 278 C ASP A 20 9.393 -1.504 -5.252 1.00 0.00 C ATOM 279 O ASP A 20 10.184 -0.989 -6.045 1.00 0.00 O ATOM 280 CB ASP A 20 8.537 -3.713 -6.155 1.00 0.00 C ATOM 281 CG ASP A 20 8.947 -5.157 -6.461 1.00 0.00 C ATOM 282 OD1 ASP A 20 8.391 -6.137 -5.968 1.00 0.00 O ATOM 283 OD2 ASP A 20 9.998 -5.221 -7.339 1.00 0.00 O ATOM 0 H ASP A 20 8.049 -2.969 -3.541 1.00 0.00 H new ATOM 0 HA ASP A 20 10.493 -3.315 -5.157 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.502 -3.699 -5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.577 -3.127 -7.073 1.00 0.00 H new ATOM 289 N ALA A 21 8.503 -0.757 -4.563 1.00 0.00 N ATOM 290 CA ALA A 21 8.409 0.701 -4.748 1.00 0.00 C ATOM 291 C ALA A 21 8.964 1.456 -3.523 1.00 0.00 C ATOM 292 O ALA A 21 10.176 1.681 -3.470 1.00 0.00 O ATOM 293 CB ALA A 21 6.962 1.023 -5.139 1.00 0.00 C ATOM 0 H ALA A 21 7.847 -1.138 -3.881 1.00 0.00 H new ATOM 0 HA ALA A 21 9.044 1.056 -5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.855 2.098 -5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.711 0.505 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.289 0.696 -4.346 1.00 0.00 H new ATOM 299 N GLY A 22 8.125 1.869 -2.565 1.00 0.00 N ATOM 300 CA GLY A 22 8.608 2.621 -1.396 1.00 0.00 C ATOM 301 C GLY A 22 7.983 2.141 -0.090 1.00 0.00 C ATOM 302 O GLY A 22 8.498 1.236 0.567 1.00 0.00 O ATOM 0 H GLY A 22 7.119 1.699 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.692 2.528 -1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.387 3.679 -1.533 1.00 0.00 H new ATOM 306 N MET A 23 6.885 2.800 0.284 1.00 0.00 N ATOM 307 CA MET A 23 6.165 2.500 1.536 1.00 0.00 C ATOM 308 C MET A 23 4.662 2.756 1.347 1.00 0.00 C ATOM 309 O MET A 23 3.879 1.802 1.372 1.00 0.00 O ATOM 310 CB MET A 23 6.700 3.309 2.747 1.00 0.00 C ATOM 311 CG MET A 23 8.109 2.938 3.231 1.00 0.00 C ATOM 312 SD MET A 23 9.358 3.723 2.194 1.00 0.00 S ATOM 313 CE MET A 23 10.850 3.006 2.906 1.00 0.00 C ATOM 0 H MET A 23 6.467 3.552 -0.264 1.00 0.00 H new ATOM 0 HA MET A 23 6.337 1.448 1.762 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.694 4.367 2.484 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.006 3.183 3.578 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.239 3.251 4.267 1.00 0.00 H new ATOM 0 HG3 MET A 23 8.235 1.856 3.207 1.00 0.00 H new ATOM 0 HE1 MET A 23 11.724 3.387 2.378 1.00 0.00 H new ATOM 0 HE2 MET A 23 10.916 3.276 3.960 1.00 0.00 H new ATOM 0 HE3 MET A 23 10.813 1.921 2.811 1.00 0.00 H new ATOM 323 N ARG A 24 4.253 4.019 1.155 1.00 0.00 N ATOM 324 CA ARG A 24 2.816 4.340 1.060 1.00 0.00 C ATOM 325 C ARG A 24 2.477 5.536 0.132 1.00 0.00 C ATOM 326 O ARG A 24 3.300 6.255 -0.438 1.00 0.00 O ATOM 327 CB ARG A 24 2.371 4.643 2.524 1.00 0.00 C ATOM 328 CG ARG A 24 0.857 4.589 2.842 1.00 0.00 C ATOM 329 CD ARG A 24 0.006 5.877 2.814 1.00 0.00 C ATOM 330 NE ARG A 24 0.644 7.043 3.462 1.00 0.00 N ATOM 331 CZ ARG A 24 0.590 7.287 4.778 1.00 0.00 C ATOM 332 NH1 ARG A 24 -0.042 6.500 5.637 1.00 0.00 N ATOM 333 NH2 ARG A 24 1.196 8.364 5.244 1.00 0.00 N ATOM 0 H ARG A 24 4.878 4.820 1.064 1.00 0.00 H new ATOM 0 HA ARG A 24 2.289 3.501 0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.877 3.936 3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.733 5.637 2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.405 3.889 2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.752 4.155 3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.216 6.129 1.777 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.947 5.680 3.305 1.00 0.00 H new ATOM 0 HE ARG A 24 1.155 7.700 2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.518 5.661 5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.052 6.733 6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.690 8.987 4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.170 8.572 6.242 1.00 0.00 H new ATOM 346 N PHE A 25 1.162 5.613 0.007 1.00 0.00 N ATOM 347 CA PHE A 25 0.356 6.672 -0.635 1.00 0.00 C ATOM 348 C PHE A 25 -1.152 6.268 -0.464 1.00 0.00 C ATOM 349 O PHE A 25 -1.990 7.158 -0.307 1.00 0.00 O ATOM 350 CB PHE A 25 0.640 6.939 -2.107 1.00 0.00 C ATOM 351 CG PHE A 25 0.238 8.339 -2.569 1.00 0.00 C ATOM 352 CD1 PHE A 25 1.038 9.421 -2.275 1.00 0.00 C ATOM 353 CD2 PHE A 25 -0.913 8.525 -3.300 1.00 0.00 C ATOM 354 CE1 PHE A 25 0.687 10.677 -2.703 1.00 0.00 C ATOM 355 CE2 PHE A 25 -1.263 9.782 -3.727 1.00 0.00 C ATOM 356 CZ PHE A 25 -0.463 10.856 -3.429 1.00 0.00 C ATOM 0 H PHE A 25 0.565 4.875 0.382 1.00 0.00 H new ATOM 0 HA PHE A 25 0.623 7.606 -0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.704 6.797 -2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.109 6.202 -2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.945 9.281 -1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.542 7.680 -3.538 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.316 11.523 -2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.169 9.925 -4.298 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.739 11.844 -3.767 1.00 0.00 H new ATOM 366 N GLY A 26 -1.509 4.960 -0.478 1.00 0.00 N ATOM 367 CA GLY A 26 -2.906 4.547 -0.279 1.00 0.00 C ATOM 368 C GLY A 26 -3.141 3.028 -0.116 1.00 0.00 C ATOM 369 O GLY A 26 -2.789 2.224 -0.979 1.00 0.00 O ATOM 0 H GLY A 26 -0.856 4.190 -0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.292 5.052 0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.493 4.898 -1.128 1.00 0.00 H new ATOM 373 N LYS A 27 -3.774 2.673 1.012 1.00 0.00 N ATOM 374 CA LYS A 27 -4.229 1.300 1.358 1.00 0.00 C ATOM 375 C LYS A 27 -3.113 0.297 1.740 1.00 0.00 C ATOM 376 O LYS A 27 -1.985 0.375 1.267 1.00 0.00 O ATOM 377 CB LYS A 27 -5.086 0.620 0.259 1.00 0.00 C ATOM 378 CG LYS A 27 -6.412 0.039 0.798 1.00 0.00 C ATOM 379 CD LYS A 27 -6.354 -1.189 1.734 1.00 0.00 C ATOM 380 CE LYS A 27 -6.666 -0.841 3.200 1.00 0.00 C ATOM 381 NZ LYS A 27 -6.687 -2.047 4.043 1.00 0.00 N ATOM 0 H LYS A 27 -3.996 3.352 1.741 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.832 1.508 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.306 1.346 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.507 -0.180 -0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.931 0.836 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.030 -0.227 -0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.064 -1.939 1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.362 -1.637 1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.918 -0.144 3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.630 -0.337 3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.917 -1.782 5.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.406 -2.708 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.753 -2.504 4.018 1.00 0.00 H new ATOM 394 N CYS A 28 -3.479 -0.665 2.587 1.00 0.00 N ATOM 395 CA CYS A 28 -2.597 -1.768 3.007 1.00 0.00 C ATOM 396 C CYS A 28 -3.388 -3.109 2.992 1.00 0.00 C ATOM 397 O CYS A 28 -3.938 -3.484 4.029 1.00 0.00 O ATOM 398 CB CYS A 28 -2.036 -1.410 4.389 1.00 0.00 C ATOM 399 SG CYS A 28 -3.422 -0.894 5.439 1.00 0.00 S ATOM 0 H CYS A 28 -4.407 -0.706 3.009 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.760 -1.904 2.322 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.525 -2.267 4.827 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.301 -0.609 4.306 1.00 0.00 H new ATOM 404 N MET A 29 -3.454 -3.828 1.844 1.00 0.00 N ATOM 405 CA MET A 29 -4.167 -5.151 1.719 1.00 0.00 C ATOM 406 C MET A 29 -5.605 -4.992 1.187 1.00 0.00 C ATOM 407 O MET A 29 -6.381 -4.168 1.665 1.00 0.00 O ATOM 408 CB MET A 29 -4.178 -6.103 2.933 1.00 0.00 C ATOM 409 CG MET A 29 -2.766 -6.595 3.233 1.00 0.00 C ATOM 410 SD MET A 29 -2.817 -7.889 4.489 1.00 0.00 S ATOM 411 CE MET A 29 -3.117 -9.345 3.467 1.00 0.00 C ATOM 0 H MET A 29 -3.020 -3.520 0.974 1.00 0.00 H new ATOM 0 HA MET A 29 -3.523 -5.652 0.996 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.584 -5.588 3.804 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.831 -6.952 2.732 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.305 -6.978 2.323 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.149 -5.766 3.578 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.174 -10.229 4.102 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.057 -9.224 2.928 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.302 -9.463 2.753 1.00 0.00 H new ATOM 421 N ASN A 30 -5.935 -5.866 0.216 1.00 0.00 N ATOM 422 CA ASN A 30 -7.190 -5.806 -0.600 1.00 0.00 C ATOM 423 C ASN A 30 -6.579 -5.074 -1.814 1.00 0.00 C ATOM 424 O ASN A 30 -6.423 -5.623 -2.907 1.00 0.00 O ATOM 425 CB ASN A 30 -8.493 -5.137 -0.080 1.00 0.00 C ATOM 426 CG ASN A 30 -9.035 -5.787 1.200 1.00 0.00 C ATOM 427 OD1 ASN A 30 -8.816 -5.311 2.313 1.00 0.00 O ATOM 428 ND2 ASN A 30 -9.765 -6.882 1.065 1.00 0.00 N ATOM 0 H ASN A 30 -5.335 -6.651 -0.037 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.641 -6.793 -0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.301 -4.081 0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.256 -5.188 -0.857 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.153 -7.341 1.889 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.940 -7.267 0.137 1.00 0.00 H new ATOM 435 N ARG A 31 -6.241 -3.809 -1.544 1.00 0.00 N ATOM 436 CA ARG A 31 -5.428 -2.998 -2.420 1.00 0.00 C ATOM 437 C ARG A 31 -4.125 -2.981 -1.607 1.00 0.00 C ATOM 438 O ARG A 31 -4.045 -2.491 -0.480 1.00 0.00 O ATOM 439 CB ARG A 31 -5.960 -1.572 -2.580 1.00 0.00 C ATOM 440 CG ARG A 31 -4.990 -0.496 -3.118 1.00 0.00 C ATOM 441 CD ARG A 31 -4.552 -0.581 -4.594 1.00 0.00 C ATOM 442 NE ARG A 31 -4.017 -1.887 -5.022 1.00 0.00 N ATOM 443 CZ ARG A 31 -3.546 -2.111 -6.254 1.00 0.00 C ATOM 444 NH1 ARG A 31 -3.523 -1.177 -7.198 1.00 0.00 N ATOM 445 NH2 ARG A 31 -3.086 -3.313 -6.543 1.00 0.00 N ATOM 0 H ARG A 31 -6.535 -3.324 -0.696 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.366 -3.375 -3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.822 -1.609 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.323 -1.239 -1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.455 0.478 -2.964 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.091 -0.521 -2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.407 -0.334 -5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.793 0.180 -4.774 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.006 -2.653 -4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.875 -0.241 -6.998 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.154 -1.396 -8.123 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.095 -4.046 -5.834 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.722 -3.509 -7.475 1.00 0.00 H new ATOM 458 N LYS A 32 -3.080 -3.360 -2.297 1.00 0.00 N ATOM 459 CA LYS A 32 -1.716 -3.402 -1.739 1.00 0.00 C ATOM 460 C LYS A 32 -1.253 -2.039 -2.269 1.00 0.00 C ATOM 461 O LYS A 32 -1.527 -1.607 -3.396 1.00 0.00 O ATOM 462 CB LYS A 32 -0.932 -4.661 -2.168 1.00 0.00 C ATOM 463 CG LYS A 32 -1.755 -5.963 -2.002 1.00 0.00 C ATOM 464 CD LYS A 32 -1.528 -6.652 -0.652 1.00 0.00 C ATOM 465 CE LYS A 32 -2.416 -7.892 -0.443 1.00 0.00 C ATOM 466 NZ LYS A 32 -2.167 -8.960 -1.427 1.00 0.00 N ATOM 0 H LYS A 32 -3.133 -3.654 -3.272 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.592 -3.511 -0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.629 -4.558 -3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.019 -4.735 -1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.815 -5.732 -2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.495 -6.654 -2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.481 -6.946 -0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.719 -5.938 0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.249 -8.285 0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.463 -7.594 -0.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.044 -9.165 -1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.433 -8.651 -2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.847 -9.818 -0.934 1.00 0.00 H new ATOM 479 N CYS A 33 -0.558 -1.364 -1.368 1.00 0.00 N ATOM 480 CA CYS A 33 -0.289 0.067 -1.443 1.00 0.00 C ATOM 481 C CYS A 33 -0.054 0.650 -2.831 1.00 0.00 C ATOM 482 O CYS A 33 0.486 0.044 -3.759 1.00 0.00 O ATOM 483 CB CYS A 33 0.943 0.469 -0.560 1.00 0.00 C ATOM 484 SG CYS A 33 0.594 0.566 1.226 1.00 0.00 S ATOM 0 H CYS A 33 -0.154 -1.805 -0.542 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.224 0.491 -1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.742 -0.255 -0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.316 1.436 -0.897 1.00 0.00 H new ATOM 489 N HIS A 34 -0.394 1.936 -2.857 1.00 0.00 N ATOM 490 CA HIS A 34 -0.100 2.787 -4.018 1.00 0.00 C ATOM 491 C HIS A 34 1.178 3.301 -3.315 1.00 0.00 C ATOM 492 O HIS A 34 1.186 4.252 -2.541 1.00 0.00 O ATOM 493 CB HIS A 34 -1.189 3.858 -4.279 1.00 0.00 C ATOM 494 CG HIS A 34 -2.588 3.327 -4.613 1.00 0.00 C ATOM 495 ND1 HIS A 34 -3.589 3.111 -3.667 1.00 0.00 N ATOM 496 CD2 HIS A 34 -3.078 3.088 -5.908 1.00 0.00 C ATOM 497 CE1 HIS A 34 -4.614 2.735 -4.503 1.00 0.00 C ATOM 498 NE2 HIS A 34 -4.406 2.703 -5.857 1.00 0.00 N ATOM 0 H HIS A 34 -0.871 2.415 -2.093 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.029 2.372 -5.023 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.264 4.493 -3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.857 4.492 -5.101 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.567 3.205 -2.652 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.500 3.190 -6.815 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.577 2.467 -4.095 1.00 0.00 H new ATOM 506 N CYS A 35 2.264 2.547 -3.525 1.00 0.00 N ATOM 507 CA CYS A 35 3.492 2.716 -2.743 1.00 0.00 C ATOM 508 C CYS A 35 4.425 3.706 -3.450 1.00 0.00 C ATOM 509 O CYS A 35 5.345 3.352 -4.183 1.00 0.00 O ATOM 510 CB CYS A 35 3.993 1.259 -2.524 1.00 0.00 C ATOM 511 SG CYS A 35 3.717 0.213 -3.992 1.00 0.00 S ATOM 0 H CYS A 35 2.316 1.813 -4.231 1.00 0.00 H new ATOM 0 HA CYS A 35 3.386 3.182 -1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.056 1.274 -2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.479 0.824 -1.667 1.00 0.00 H new ATOM 516 N THR A 36 4.089 4.985 -3.236 1.00 0.00 N ATOM 517 CA THR A 36 4.838 6.102 -3.858 1.00 0.00 C ATOM 518 C THR A 36 5.005 7.202 -2.782 1.00 0.00 C ATOM 519 O THR A 36 4.152 8.087 -2.691 1.00 0.00 O ATOM 520 CB THR A 36 4.164 6.554 -5.182 1.00 0.00 C ATOM 521 OG1 THR A 36 4.895 7.650 -5.716 1.00 0.00 O ATOM 522 CG2 THR A 36 2.686 6.970 -5.094 1.00 0.00 C ATOM 0 H THR A 36 3.312 5.278 -2.644 1.00 0.00 H new ATOM 0 HA THR A 36 5.838 5.804 -4.173 1.00 0.00 H new ATOM 0 HB THR A 36 4.179 5.666 -5.814 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.479 7.943 -6.554 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.331 7.264 -6.082 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.093 6.131 -4.730 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.585 7.810 -4.407 1.00 0.00 H new ATOM 530 N PRO A 37 6.070 7.212 -1.954 1.00 0.00 N ATOM 531 CA PRO A 37 6.224 8.213 -0.887 1.00 0.00 C ATOM 532 C PRO A 37 6.942 9.479 -1.388 1.00 0.00 C ATOM 533 O PRO A 37 8.085 9.445 -1.845 1.00 0.00 O ATOM 534 CB PRO A 37 7.020 7.441 0.178 1.00 0.00 C ATOM 535 CG PRO A 37 7.371 6.072 -0.415 1.00 0.00 C ATOM 536 CD PRO A 37 7.083 6.153 -1.906 1.00 0.00 C ATOM 0 HA PRO A 37 5.280 8.599 -0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.925 7.985 0.450 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.432 7.326 1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.419 5.830 -0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.778 5.285 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.972 6.410 -2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.708 5.209 -2.303 1.00 0.00 H new