USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 272 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 6 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-5.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= -3.75! (180deg=-4.24!) USER MOD Single : A 13 ASN : amide:sc= -2.18! C(o=-2.2!,f=-3.3!) USER MOD Single : A 14 LYS NZ :NH3+ 142:sc= -1.33 (180deg=-4.51!) USER MOD Single : A 18 SER OG : rot 105:sc= 0.0925 USER MOD Single : A 19 LYS NZ :NH3+ -105:sc= -2.5! (180deg=-5.66!) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= -0.0122 (180deg=-0.18) USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= -8.12! (180deg=-8.46!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.868 K(o=-0.87,f=-4.9!) USER MOD Single : A 30 LYS NZ :NH3+ -114:sc= -6.59! (180deg=-8.59!) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 1.483 -2.558 -0.914 1.00 1.00 N ATOM 11 CA ASP A 2 2.249 -3.781 -1.224 1.00 1.00 C ATOM 12 C ASP A 2 1.275 -4.834 -1.752 1.00 1.00 C ATOM 13 O ASP A 2 0.310 -5.134 -1.086 1.00 1.00 O ATOM 14 CB ASP A 2 2.919 -4.300 0.038 1.00 1.00 C ATOM 15 CG ASP A 2 3.689 -3.240 0.864 1.00 1.00 C ATOM 16 OD1 ASP A 2 3.961 -2.166 0.352 1.00 1.00 O ATOM 17 OD2 ASP A 2 3.967 -3.588 2.001 1.00 1.00 O ATOM 0 HA ASP A 2 3.015 -3.565 -1.968 1.00 1.00 H new ATOM 0 HB2 ASP A 2 2.157 -4.750 0.675 1.00 1.00 H new ATOM 0 HB3 ASP A 2 3.612 -5.094 -0.239 1.00 1.00 H new ATOM 22 N CYS A 3 1.514 -5.396 -2.907 1.00 1.00 N ATOM 23 CA CYS A 3 0.551 -6.423 -3.408 1.00 1.00 C ATOM 24 C CYS A 3 1.002 -7.790 -2.902 1.00 1.00 C ATOM 25 O CYS A 3 1.363 -8.680 -3.649 1.00 1.00 O ATOM 26 CB CYS A 3 0.533 -6.344 -4.939 1.00 1.00 C ATOM 27 SG CYS A 3 -0.288 -4.901 -5.663 1.00 1.00 S ATOM 0 H CYS A 3 2.311 -5.197 -3.512 1.00 1.00 H new ATOM 0 HA CYS A 3 -0.463 -6.251 -3.046 1.00 1.00 H new ATOM 0 HB2 CYS A 3 1.563 -6.364 -5.294 1.00 1.00 H new ATOM 0 HB3 CYS A 3 0.046 -7.241 -5.321 1.00 1.00 H new ATOM 32 N LEU A 4 0.953 -7.882 -1.593 1.00 1.00 N ATOM 33 CA LEU A 4 1.354 -9.142 -0.899 1.00 1.00 C ATOM 34 C LEU A 4 0.277 -10.214 -1.191 1.00 1.00 C ATOM 35 O LEU A 4 -0.820 -10.082 -0.683 1.00 1.00 O ATOM 36 CB LEU A 4 1.449 -8.876 0.623 1.00 1.00 C ATOM 37 CG LEU A 4 2.450 -7.727 0.936 1.00 1.00 C ATOM 38 CD1 LEU A 4 2.414 -7.409 2.447 1.00 1.00 C ATOM 39 CD2 LEU A 4 3.892 -8.138 0.555 1.00 1.00 C ATOM 0 H LEU A 4 0.650 -7.130 -0.974 1.00 1.00 H new ATOM 0 HA LEU A 4 2.325 -9.489 -1.253 1.00 1.00 H new ATOM 0 HB2 LEU A 4 0.464 -8.618 1.011 1.00 1.00 H new ATOM 0 HB3 LEU A 4 1.765 -9.785 1.134 1.00 1.00 H new ATOM 0 HG LEU A 4 2.159 -6.852 0.354 1.00 1.00 H new ATOM 0 HD11 LEU A 4 3.115 -6.604 2.666 1.00 1.00 H new ATOM 0 HD12 LEU A 4 1.408 -7.101 2.730 1.00 1.00 H new ATOM 0 HD13 LEU A 4 2.694 -8.298 3.013 1.00 1.00 H new ATOM 0 HD21 LEU A 4 4.576 -7.320 0.782 1.00 1.00 H new ATOM 0 HD22 LEU A 4 4.181 -9.021 1.125 1.00 1.00 H new ATOM 0 HD23 LEU A 4 3.937 -8.363 -0.511 1.00 1.00 H new ATOM 51 N PRO A 5 0.588 -11.227 -1.982 1.00 1.00 N ATOM 52 CA PRO A 5 -0.419 -12.194 -2.529 1.00 1.00 C ATOM 53 C PRO A 5 -1.382 -12.665 -1.445 1.00 1.00 C ATOM 54 O PRO A 5 -2.511 -12.227 -1.330 1.00 1.00 O ATOM 55 CB PRO A 5 0.432 -13.331 -3.122 1.00 1.00 C ATOM 56 CG PRO A 5 1.834 -13.128 -2.489 1.00 1.00 C ATOM 57 CD PRO A 5 1.961 -11.603 -2.426 1.00 1.00 C ATOM 0 HA PRO A 5 -1.068 -11.753 -3.285 1.00 1.00 H new ATOM 0 HB2 PRO A 5 0.020 -14.309 -2.872 1.00 1.00 H new ATOM 0 HB3 PRO A 5 0.474 -13.271 -4.210 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.900 -13.580 -1.500 1.00 1.00 H new ATOM 0 HG3 PRO A 5 2.621 -13.575 -3.097 1.00 1.00 H new ATOM 0 HD2 PRO A 5 2.726 -11.281 -1.720 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.216 -11.169 -3.393 1.00 1.00 H new ATOM 65 N HIS A 6 -0.834 -13.573 -0.692 1.00 1.00 N ATOM 66 CA HIS A 6 -1.556 -14.199 0.454 1.00 1.00 C ATOM 67 C HIS A 6 -1.710 -13.147 1.570 1.00 1.00 C ATOM 68 O HIS A 6 -1.215 -12.044 1.455 1.00 1.00 O ATOM 69 CB HIS A 6 -0.715 -15.426 0.911 1.00 1.00 C ATOM 70 CG HIS A 6 -1.276 -16.077 2.187 1.00 1.00 C ATOM 71 ND1 HIS A 6 -1.087 -15.637 3.389 1.00 1.00 N ATOM 72 CD2 HIS A 6 -2.065 -17.200 2.362 1.00 1.00 C ATOM 73 CE1 HIS A 6 -1.694 -16.402 4.239 1.00 1.00 C ATOM 74 NE2 HIS A 6 -2.316 -17.388 3.643 1.00 1.00 N ATOM 0 H HIS A 6 0.116 -13.920 -0.826 1.00 1.00 H new ATOM 0 HA HIS A 6 -2.556 -14.538 0.184 1.00 1.00 H new ATOM 0 HB2 HIS A 6 -0.690 -16.165 0.110 1.00 1.00 H new ATOM 0 HB3 HIS A 6 0.314 -15.113 1.088 1.00 1.00 H new ATOM 0 HD2 HIS A 6 -2.424 -17.832 1.564 1.00 1.00 H new ATOM 0 HE1 HIS A 6 -1.688 -16.246 5.308 1.00 1.00 H new ATOM 0 HE2 HIS A 6 -2.868 -18.131 4.071 1.00 1.00 H new ATOM 82 N LEU A 7 -2.414 -13.546 2.597 1.00 1.00 N ATOM 83 CA LEU A 7 -2.696 -12.717 3.803 1.00 1.00 C ATOM 84 C LEU A 7 -1.382 -12.572 4.612 1.00 1.00 C ATOM 85 O LEU A 7 -1.279 -13.046 5.728 1.00 1.00 O ATOM 86 CB LEU A 7 -3.798 -13.435 4.648 1.00 1.00 C ATOM 87 CG LEU A 7 -4.900 -14.122 3.779 1.00 1.00 C ATOM 88 CD1 LEU A 7 -5.957 -14.736 4.721 1.00 1.00 C ATOM 89 CD2 LEU A 7 -5.589 -13.134 2.821 1.00 1.00 C ATOM 0 H LEU A 7 -2.830 -14.476 2.646 1.00 1.00 H new ATOM 0 HA LEU A 7 -3.054 -11.724 3.530 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -3.327 -14.185 5.283 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -4.269 -12.708 5.310 1.00 1.00 H new ATOM 0 HG LEU A 7 -4.421 -14.888 3.169 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -6.734 -15.220 4.130 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -5.483 -15.473 5.369 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -6.402 -13.949 5.331 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -6.346 -13.659 2.239 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -6.061 -12.338 3.397 1.00 1.00 H new ATOM 0 HD23 LEU A 7 -4.848 -12.704 2.147 1.00 1.00 H new ATOM 101 N LYS A 8 -0.409 -11.917 4.028 1.00 1.00 N ATOM 102 CA LYS A 8 0.907 -11.716 4.703 1.00 1.00 C ATOM 103 C LYS A 8 0.766 -10.739 5.864 1.00 1.00 C ATOM 104 O LYS A 8 -0.212 -10.023 5.965 1.00 1.00 O ATOM 105 CB LYS A 8 1.911 -11.171 3.671 1.00 1.00 C ATOM 106 CG LYS A 8 2.114 -12.163 2.499 1.00 1.00 C ATOM 107 CD LYS A 8 2.868 -13.403 2.974 1.00 1.00 C ATOM 108 CE LYS A 8 4.274 -12.981 3.414 1.00 1.00 C ATOM 109 NZ LYS A 8 4.965 -14.151 3.979 1.00 1.00 N ATOM 0 H LYS A 8 -0.474 -11.507 3.096 1.00 1.00 H new ATOM 0 HA LYS A 8 1.263 -12.666 5.101 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.555 -10.217 3.284 1.00 1.00 H new ATOM 0 HB3 LYS A 8 2.867 -10.980 4.158 1.00 1.00 H new ATOM 0 HG2 LYS A 8 1.147 -12.453 2.088 1.00 1.00 H new ATOM 0 HG3 LYS A 8 2.669 -11.678 1.696 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.338 -13.874 3.802 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.927 -14.140 2.173 1.00 1.00 H new ATOM 0 HE2 LYS A 8 4.833 -12.586 2.565 1.00 1.00 H new ATOM 0 HE3 LYS A 8 4.214 -12.184 4.155 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 5.921 -13.877 4.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 4.432 -14.507 4.798 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 5.031 -14.897 3.258 1.00 1.00 H new ATOM 123 N LEU A 9 1.766 -10.740 6.706 1.00 1.00 N ATOM 124 CA LEU A 9 1.777 -9.861 7.874 1.00 1.00 C ATOM 125 C LEU A 9 1.960 -8.377 7.530 1.00 1.00 C ATOM 126 O LEU A 9 2.484 -8.033 6.487 1.00 1.00 O ATOM 127 CB LEU A 9 2.898 -10.352 8.785 1.00 1.00 C ATOM 128 CG LEU A 9 4.328 -10.268 8.142 1.00 1.00 C ATOM 129 CD1 LEU A 9 5.345 -9.970 9.267 1.00 1.00 C ATOM 130 CD2 LEU A 9 4.744 -11.627 7.514 1.00 1.00 C ATOM 0 H LEU A 9 2.589 -11.335 6.616 1.00 1.00 H new ATOM 0 HA LEU A 9 0.804 -9.912 8.364 1.00 1.00 H new ATOM 0 HB2 LEU A 9 2.889 -9.765 9.703 1.00 1.00 H new ATOM 0 HB3 LEU A 9 2.697 -11.386 9.066 1.00 1.00 H new ATOM 0 HG LEU A 9 4.312 -9.496 7.372 1.00 1.00 H new ATOM 0 HD11 LEU A 9 6.348 -9.907 8.844 1.00 1.00 H new ATOM 0 HD12 LEU A 9 5.092 -9.023 9.744 1.00 1.00 H new ATOM 0 HD13 LEU A 9 5.313 -10.769 10.007 1.00 1.00 H new ATOM 0 HD21 LEU A 9 5.738 -11.537 7.077 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.755 -12.396 8.286 1.00 1.00 H new ATOM 0 HD23 LEU A 9 4.030 -11.903 6.738 1.00 1.00 H new ATOM 142 N CYS A 10 1.509 -7.550 8.439 1.00 1.00 N ATOM 143 CA CYS A 10 1.610 -6.078 8.274 1.00 1.00 C ATOM 144 C CYS A 10 1.291 -5.374 9.609 1.00 1.00 C ATOM 145 O CYS A 10 1.029 -6.019 10.611 1.00 1.00 O ATOM 146 CB CYS A 10 0.613 -5.563 7.196 1.00 1.00 C ATOM 147 SG CYS A 10 -0.968 -4.918 7.796 1.00 1.00 S ATOM 0 H CYS A 10 1.065 -7.847 9.308 1.00 1.00 H new ATOM 0 HA CYS A 10 2.628 -5.851 7.958 1.00 1.00 H new ATOM 0 HB2 CYS A 10 1.106 -4.777 6.624 1.00 1.00 H new ATOM 0 HB3 CYS A 10 0.407 -6.380 6.504 1.00 1.00 H new ATOM 152 N LYS A 11 1.320 -4.062 9.558 1.00 1.00 N ATOM 153 CA LYS A 11 1.035 -3.212 10.755 1.00 1.00 C ATOM 154 C LYS A 11 -0.236 -2.383 10.528 1.00 1.00 C ATOM 155 O LYS A 11 -1.024 -2.215 11.438 1.00 1.00 O ATOM 156 CB LYS A 11 2.228 -2.253 11.047 1.00 1.00 C ATOM 157 CG LYS A 11 2.701 -1.445 9.803 1.00 1.00 C ATOM 158 CD LYS A 11 4.143 -1.868 9.433 1.00 1.00 C ATOM 159 CE LYS A 11 4.158 -3.333 8.967 1.00 1.00 C ATOM 160 NZ LYS A 11 3.451 -3.449 7.660 1.00 1.00 N ATOM 0 H LYS A 11 1.535 -3.534 8.713 1.00 1.00 H new ATOM 0 HA LYS A 11 0.891 -3.872 11.610 1.00 1.00 H new ATOM 0 HB2 LYS A 11 1.938 -1.556 11.833 1.00 1.00 H new ATOM 0 HB3 LYS A 11 3.066 -2.836 11.431 1.00 1.00 H new ATOM 0 HG2 LYS A 11 2.031 -1.625 8.963 1.00 1.00 H new ATOM 0 HG3 LYS A 11 2.667 -0.376 10.015 1.00 1.00 H new ATOM 0 HD2 LYS A 11 4.529 -1.223 8.644 1.00 1.00 H new ATOM 0 HD3 LYS A 11 4.799 -1.745 10.295 1.00 1.00 H new ATOM 0 HE2 LYS A 11 5.185 -3.683 8.869 1.00 1.00 H new ATOM 0 HE3 LYS A 11 3.675 -3.967 9.711 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 3.728 -4.336 7.193 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 2.423 -3.448 7.820 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 3.708 -2.644 7.054 1.00 1.00 H new ATOM 174 N GLU A 12 -0.389 -1.888 9.322 1.00 1.00 N ATOM 175 CA GLU A 12 -1.582 -1.059 8.950 1.00 1.00 C ATOM 176 C GLU A 12 -2.258 -1.653 7.700 1.00 1.00 C ATOM 177 O GLU A 12 -1.620 -2.328 6.916 1.00 1.00 O ATOM 178 CB GLU A 12 -1.097 0.379 8.682 1.00 1.00 C ATOM 179 CG GLU A 12 -2.289 1.299 8.328 1.00 1.00 C ATOM 180 CD GLU A 12 -1.791 2.744 8.142 1.00 1.00 C ATOM 181 OE1 GLU A 12 -1.357 3.307 9.135 1.00 1.00 O ATOM 182 OE2 GLU A 12 -1.871 3.208 7.017 1.00 1.00 O ATOM 0 H GLU A 12 0.278 -2.027 8.563 1.00 1.00 H new ATOM 0 HA GLU A 12 -2.316 -1.053 9.756 1.00 1.00 H new ATOM 0 HB2 GLU A 12 -0.582 0.765 9.562 1.00 1.00 H new ATOM 0 HB3 GLU A 12 -0.376 0.379 7.865 1.00 1.00 H new ATOM 0 HG2 GLU A 12 -2.772 0.950 7.415 1.00 1.00 H new ATOM 0 HG3 GLU A 12 -3.038 1.261 9.119 1.00 1.00 H new ATOM 189 N ASN A 13 -3.530 -1.376 7.553 1.00 1.00 N ATOM 190 CA ASN A 13 -4.310 -1.890 6.382 1.00 1.00 C ATOM 191 C ASN A 13 -3.664 -1.501 5.034 1.00 1.00 C ATOM 192 O ASN A 13 -3.328 -2.347 4.220 1.00 1.00 O ATOM 193 CB ASN A 13 -5.761 -1.338 6.523 1.00 1.00 C ATOM 194 CG ASN A 13 -5.808 0.197 6.587 1.00 1.00 C ATOM 195 OD1 ASN A 13 -5.837 0.880 5.583 1.00 1.00 O ATOM 196 ND2 ASN A 13 -5.811 0.775 7.756 1.00 1.00 N ATOM 0 H ASN A 13 -4.070 -0.807 8.205 1.00 1.00 H new ATOM 0 HA ASN A 13 -4.319 -2.980 6.383 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -6.359 -1.681 5.679 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -6.216 -1.749 7.424 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -5.838 1.793 7.822 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -5.787 0.210 8.605 1.00 1.00 H new ATOM 203 N LYS A 14 -3.510 -0.208 4.881 1.00 1.00 N ATOM 204 CA LYS A 14 -2.913 0.426 3.667 1.00 1.00 C ATOM 205 C LYS A 14 -1.725 -0.373 3.130 1.00 1.00 C ATOM 206 O LYS A 14 -1.545 -0.462 1.932 1.00 1.00 O ATOM 207 CB LYS A 14 -2.486 1.857 4.048 1.00 1.00 C ATOM 208 CG LYS A 14 -1.935 2.608 2.807 1.00 1.00 C ATOM 209 CD LYS A 14 -1.475 4.054 3.148 1.00 1.00 C ATOM 210 CE LYS A 14 -2.663 4.996 3.467 1.00 1.00 C ATOM 211 NZ LYS A 14 -3.267 4.685 4.793 1.00 1.00 N ATOM 0 H LYS A 14 -3.791 0.468 5.591 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.652 0.447 2.866 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.337 2.399 4.460 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.724 1.820 4.826 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -1.096 2.051 2.391 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -2.705 2.646 2.037 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -0.799 4.025 4.003 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -0.910 4.459 2.309 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -2.321 6.031 3.456 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -3.421 4.902 2.690 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -3.542 5.570 5.265 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -4.108 4.088 4.660 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -2.573 4.180 5.381 1.00 1.00 H new ATOM 225 N ASP A 15 -0.967 -0.916 4.054 1.00 1.00 N ATOM 226 CA ASP A 15 0.239 -1.733 3.713 1.00 1.00 C ATOM 227 C ASP A 15 0.047 -2.640 2.504 1.00 1.00 C ATOM 228 O ASP A 15 0.978 -2.814 1.746 1.00 1.00 O ATOM 229 CB ASP A 15 0.641 -2.596 4.932 1.00 1.00 C ATOM 230 CG ASP A 15 1.921 -3.403 4.602 1.00 1.00 C ATOM 231 OD1 ASP A 15 1.776 -4.459 4.004 1.00 1.00 O ATOM 232 OD2 ASP A 15 2.979 -2.914 4.960 1.00 1.00 O ATOM 0 H ASP A 15 -1.140 -0.823 5.055 1.00 1.00 H new ATOM 0 HA ASP A 15 1.025 -1.023 3.453 1.00 1.00 H new ATOM 0 HB2 ASP A 15 0.815 -1.959 5.799 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -0.171 -3.275 5.193 1.00 1.00 H new ATOM 237 N CYS A 16 -1.133 -3.185 2.353 1.00 1.00 N ATOM 238 CA CYS A 16 -1.373 -4.085 1.184 1.00 1.00 C ATOM 239 C CYS A 16 -2.140 -3.361 0.076 1.00 1.00 C ATOM 240 O CYS A 16 -2.764 -2.352 0.327 1.00 1.00 O ATOM 241 CB CYS A 16 -2.182 -5.302 1.631 1.00 1.00 C ATOM 242 SG CYS A 16 -1.212 -6.827 1.777 1.00 1.00 S ATOM 0 H CYS A 16 -1.929 -3.050 2.977 1.00 1.00 H new ATOM 0 HA CYS A 16 -0.404 -4.396 0.794 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -2.643 -5.084 2.595 1.00 1.00 H new ATOM 0 HB3 CYS A 16 -2.992 -5.467 0.921 1.00 1.00 H new ATOM 247 N CYS A 17 -2.080 -3.896 -1.121 1.00 1.00 N ATOM 248 CA CYS A 17 -2.781 -3.301 -2.276 1.00 1.00 C ATOM 249 C CYS A 17 -4.271 -3.481 -1.980 1.00 1.00 C ATOM 250 O CYS A 17 -5.085 -2.633 -2.289 1.00 1.00 O ATOM 251 CB CYS A 17 -2.311 -4.052 -3.513 1.00 1.00 C ATOM 252 SG CYS A 17 -0.645 -3.657 -4.110 1.00 1.00 S ATOM 0 H CYS A 17 -1.556 -4.744 -1.339 1.00 1.00 H new ATOM 0 HA CYS A 17 -2.582 -2.243 -2.446 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -2.354 -5.120 -3.301 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -3.018 -3.858 -4.320 1.00 1.00 H new ATOM 257 N SER A 18 -4.564 -4.611 -1.381 1.00 1.00 N ATOM 258 CA SER A 18 -5.941 -4.970 -0.994 1.00 1.00 C ATOM 259 C SER A 18 -6.373 -4.071 0.193 1.00 1.00 C ATOM 260 O SER A 18 -7.512 -4.115 0.616 1.00 1.00 O ATOM 261 CB SER A 18 -5.945 -6.463 -0.618 1.00 1.00 C ATOM 262 OG SER A 18 -4.943 -6.604 0.380 1.00 1.00 O ATOM 0 H SER A 18 -3.868 -5.317 -1.141 1.00 1.00 H new ATOM 0 HA SER A 18 -6.650 -4.811 -1.806 1.00 1.00 H new ATOM 0 HB2 SER A 18 -6.921 -6.771 -0.241 1.00 1.00 H new ATOM 0 HB3 SER A 18 -5.727 -7.087 -1.485 1.00 1.00 H new ATOM 0 HG SER A 18 -5.367 -6.715 1.256 1.00 1.00 H new ATOM 268 N LYS A 19 -5.425 -3.288 0.671 1.00 1.00 N ATOM 269 CA LYS A 19 -5.588 -2.332 1.808 1.00 1.00 C ATOM 270 C LYS A 19 -6.577 -2.716 2.918 1.00 1.00 C ATOM 271 O LYS A 19 -7.222 -1.854 3.485 1.00 1.00 O ATOM 272 CB LYS A 19 -5.992 -0.968 1.211 1.00 1.00 C ATOM 273 CG LYS A 19 -4.867 -0.429 0.302 1.00 1.00 C ATOM 274 CD LYS A 19 -5.166 0.992 -0.206 1.00 1.00 C ATOM 275 CE LYS A 19 -6.437 1.046 -1.081 1.00 1.00 C ATOM 276 NZ LYS A 19 -7.663 0.891 -0.246 1.00 1.00 N ATOM 0 H LYS A 19 -4.482 -3.281 0.283 1.00 1.00 H new ATOM 0 HA LYS A 19 -4.626 -2.325 2.321 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -6.914 -1.072 0.638 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -6.194 -0.257 2.013 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -3.926 -0.426 0.853 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -4.737 -1.098 -0.549 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -5.285 1.662 0.645 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -4.315 1.356 -0.782 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -6.475 1.994 -1.617 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -6.401 0.256 -1.832 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -8.053 -0.065 -0.375 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -7.421 1.034 0.755 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -8.371 1.596 -0.535 1.00 1.00 H new ATOM 290 N LYS A 20 -6.675 -3.993 3.203 1.00 1.00 N ATOM 291 CA LYS A 20 -7.613 -4.423 4.281 1.00 1.00 C ATOM 292 C LYS A 20 -6.913 -5.491 5.116 1.00 1.00 C ATOM 293 O LYS A 20 -7.317 -6.635 5.184 1.00 1.00 O ATOM 294 CB LYS A 20 -8.944 -4.947 3.627 1.00 1.00 C ATOM 295 CG LYS A 20 -9.798 -3.775 3.067 1.00 1.00 C ATOM 296 CD LYS A 20 -10.281 -2.796 4.178 1.00 1.00 C ATOM 297 CE LYS A 20 -11.138 -3.519 5.241 1.00 1.00 C ATOM 298 NZ LYS A 20 -12.330 -4.154 4.609 1.00 1.00 N ATOM 0 H LYS A 20 -6.156 -4.741 2.744 1.00 1.00 H new ATOM 0 HA LYS A 20 -7.881 -3.595 4.938 1.00 1.00 H new ATOM 0 HB2 LYS A 20 -8.707 -5.644 2.823 1.00 1.00 H new ATOM 0 HB3 LYS A 20 -9.522 -5.500 4.367 1.00 1.00 H new ATOM 0 HG2 LYS A 20 -9.212 -3.223 2.332 1.00 1.00 H new ATOM 0 HG3 LYS A 20 -10.664 -4.180 2.544 1.00 1.00 H new ATOM 0 HD2 LYS A 20 -9.418 -2.335 4.658 1.00 1.00 H new ATOM 0 HD3 LYS A 20 -10.862 -1.992 3.727 1.00 1.00 H new ATOM 0 HE2 LYS A 20 -10.539 -4.278 5.745 1.00 1.00 H new ATOM 0 HE3 LYS A 20 -11.458 -2.808 6.003 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 -12.987 -4.472 5.349 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 -12.807 -3.463 3.996 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 -12.028 -4.971 4.040 1.00 1.00 H new ATOM 312 N CYS A 21 -5.850 -5.059 5.744 1.00 1.00 N ATOM 313 CA CYS A 21 -5.062 -5.986 6.603 1.00 1.00 C ATOM 314 C CYS A 21 -5.579 -5.759 8.026 1.00 1.00 C ATOM 315 O CYS A 21 -5.738 -4.628 8.447 1.00 1.00 O ATOM 316 CB CYS A 21 -3.556 -5.636 6.425 1.00 1.00 C ATOM 317 SG CYS A 21 -2.327 -6.384 7.523 1.00 1.00 S ATOM 0 H CYS A 21 -5.495 -4.104 5.698 1.00 1.00 H new ATOM 0 HA CYS A 21 -5.169 -7.041 6.350 1.00 1.00 H new ATOM 0 HB2 CYS A 21 -3.280 -5.895 5.403 1.00 1.00 H new ATOM 0 HB3 CYS A 21 -3.460 -4.554 6.517 1.00 1.00 H new ATOM 322 N LYS A 22 -5.830 -6.850 8.717 1.00 1.00 N ATOM 323 CA LYS A 22 -6.360 -6.755 10.124 1.00 1.00 C ATOM 324 C LYS A 22 -5.775 -7.682 11.205 1.00 1.00 C ATOM 325 O LYS A 22 -5.169 -8.696 10.918 1.00 1.00 O ATOM 326 CB LYS A 22 -7.911 -6.938 10.023 1.00 1.00 C ATOM 327 CG LYS A 22 -8.352 -8.170 9.167 1.00 1.00 C ATOM 328 CD LYS A 22 -8.059 -9.559 9.798 1.00 1.00 C ATOM 329 CE LYS A 22 -8.911 -9.816 11.061 1.00 1.00 C ATOM 330 NZ LYS A 22 -8.456 -9.003 12.220 1.00 1.00 N ATOM 0 H LYS A 22 -5.692 -7.800 8.371 1.00 1.00 H new ATOM 0 HA LYS A 22 -6.037 -5.781 10.493 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -8.320 -7.042 11.028 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -8.346 -6.036 9.593 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -9.423 -8.095 8.977 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -7.852 -8.117 8.200 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -8.257 -10.339 9.063 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -7.002 -9.624 10.055 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -9.955 -9.587 10.846 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -8.864 -10.874 11.320 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -8.952 -9.316 13.079 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -7.431 -9.124 12.348 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -8.667 -8.000 12.044 1.00 1.00 H new ATOM 344 N ARG A 23 -5.998 -7.265 12.432 1.00 1.00 N ATOM 345 CA ARG A 23 -5.531 -7.999 13.646 1.00 1.00 C ATOM 346 C ARG A 23 -6.738 -8.388 14.514 1.00 1.00 C ATOM 347 O ARG A 23 -7.594 -7.575 14.803 1.00 1.00 O ATOM 348 CB ARG A 23 -4.541 -7.070 14.431 1.00 1.00 C ATOM 349 CG ARG A 23 -4.313 -7.498 15.902 1.00 1.00 C ATOM 350 CD ARG A 23 -3.899 -8.979 16.093 1.00 1.00 C ATOM 351 NE ARG A 23 -2.953 -9.409 15.026 1.00 1.00 N ATOM 352 CZ ARG A 23 -3.078 -10.608 14.517 1.00 1.00 C ATOM 353 NH1 ARG A 23 -2.774 -11.635 15.261 1.00 1.00 N ATOM 354 NH2 ARG A 23 -3.499 -10.756 13.292 1.00 1.00 N ATOM 0 H ARG A 23 -6.508 -6.407 12.644 1.00 1.00 H new ATOM 0 HA ARG A 23 -5.015 -8.918 13.367 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -3.582 -7.058 13.913 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -4.925 -6.050 14.415 1.00 1.00 H new ATOM 0 HG2 ARG A 23 -3.542 -6.861 16.335 1.00 1.00 H new ATOM 0 HG3 ARG A 23 -5.229 -7.316 16.464 1.00 1.00 H new ATOM 0 HD2 ARG A 23 -3.434 -9.107 17.070 1.00 1.00 H new ATOM 0 HD3 ARG A 23 -4.785 -9.613 16.076 1.00 1.00 H new ATOM 0 HE ARG A 23 -2.220 -8.780 14.698 1.00 1.00 H new ATOM 0 HH11 ARG A 23 -2.447 -11.493 16.217 1.00 1.00 H new ATOM 0 HH12 ARG A 23 -2.863 -12.580 14.887 1.00 1.00 H new ATOM 0 HH21 ARG A 23 -3.731 -9.937 12.730 1.00 1.00 H new ATOM 0 HH22 ARG A 23 -3.596 -11.691 12.896 1.00 1.00 H new ATOM 368 N ARG A 24 -6.740 -9.640 14.890 1.00 1.00 N ATOM 369 CA ARG A 24 -7.817 -10.232 15.743 1.00 1.00 C ATOM 370 C ARG A 24 -7.116 -10.748 17.008 1.00 1.00 C ATOM 371 O ARG A 24 -7.151 -11.908 17.372 1.00 1.00 O ATOM 372 CB ARG A 24 -8.531 -11.377 14.928 1.00 1.00 C ATOM 373 CG ARG A 24 -7.677 -12.657 14.611 1.00 1.00 C ATOM 374 CD ARG A 24 -6.315 -12.365 13.948 1.00 1.00 C ATOM 375 NE ARG A 24 -6.527 -11.492 12.753 1.00 1.00 N ATOM 376 CZ ARG A 24 -6.197 -11.924 11.566 1.00 1.00 C ATOM 377 NH1 ARG A 24 -6.948 -12.821 10.989 1.00 1.00 N ATOM 378 NH2 ARG A 24 -5.130 -11.448 10.993 1.00 1.00 N ATOM 0 H ARG A 24 -6.010 -10.303 14.630 1.00 1.00 H new ATOM 0 HA ARG A 24 -8.591 -9.519 16.025 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -9.416 -11.688 15.483 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -8.877 -10.957 13.984 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -7.506 -13.204 15.538 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -8.253 -13.311 13.957 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -5.649 -11.875 14.658 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -5.834 -13.297 13.652 1.00 1.00 H new ATOM 0 HE ARG A 24 -6.929 -10.561 12.865 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -7.778 -13.174 11.465 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -6.705 -13.170 10.062 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -4.564 -10.747 11.471 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -4.860 -11.776 10.066 1.00 1.00 H new ATOM 392 N GLY A 25 -6.489 -9.794 17.639 1.00 1.00 N ATOM 393 CA GLY A 25 -5.723 -10.021 18.886 1.00 1.00 C ATOM 394 C GLY A 25 -5.192 -8.696 19.424 1.00 1.00 C ATOM 395 O GLY A 25 -5.657 -7.632 19.059 1.00 1.00 O ATOM 0 H GLY A 25 -6.480 -8.825 17.321 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -6.360 -10.496 19.632 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -4.894 -10.703 18.694 1.00 1.00 H new ATOM 399 N THR A 26 -4.220 -8.825 20.284 1.00 1.00 N ATOM 400 CA THR A 26 -3.574 -7.646 20.918 1.00 1.00 C ATOM 401 C THR A 26 -2.338 -7.187 20.133 1.00 1.00 C ATOM 402 O THR A 26 -2.174 -6.006 19.891 1.00 1.00 O ATOM 403 CB THR A 26 -3.211 -8.033 22.386 1.00 1.00 C ATOM 404 OG1 THR A 26 -2.584 -6.875 22.925 1.00 1.00 O ATOM 405 CG2 THR A 26 -2.155 -9.161 22.492 1.00 1.00 C ATOM 0 H THR A 26 -3.838 -9.723 20.580 1.00 1.00 H new ATOM 0 HA THR A 26 -4.262 -6.800 20.915 1.00 1.00 H new ATOM 0 HB THR A 26 -4.117 -8.372 22.888 1.00 1.00 H new ATOM 0 HG1 THR A 26 -2.327 -7.045 23.855 1.00 1.00 H new ATOM 0 HG21 THR A 26 -1.955 -9.374 23.542 1.00 1.00 H new ATOM 0 HG22 THR A 26 -2.533 -10.060 22.005 1.00 1.00 H new ATOM 0 HG23 THR A 26 -1.233 -8.844 22.004 1.00 1.00 H new ATOM 413 N ASN A 27 -1.510 -8.127 19.760 1.00 1.00 N ATOM 414 CA ASN A 27 -0.274 -7.785 18.988 1.00 1.00 C ATOM 415 C ASN A 27 -0.710 -7.353 17.576 1.00 1.00 C ATOM 416 O ASN A 27 -1.170 -8.156 16.789 1.00 1.00 O ATOM 417 CB ASN A 27 0.645 -9.020 18.912 1.00 1.00 C ATOM 418 CG ASN A 27 2.049 -8.568 18.476 1.00 1.00 C ATOM 419 OD1 ASN A 27 2.224 -7.815 17.537 1.00 1.00 O ATOM 420 ND2 ASN A 27 3.084 -9.009 19.135 1.00 1.00 N ATOM 0 H ASN A 27 -1.635 -9.120 19.956 1.00 1.00 H new ATOM 0 HA ASN A 27 0.277 -6.979 19.473 1.00 1.00 H new ATOM 0 HB2 ASN A 27 0.692 -9.515 19.882 1.00 1.00 H new ATOM 0 HB3 ASN A 27 0.245 -9.745 18.203 1.00 1.00 H new ATOM 0 HD21 ASN A 27 4.024 -8.722 18.861 1.00 1.00 H new ATOM 0 HD22 ASN A 27 2.954 -9.641 19.925 1.00 1.00 H new ATOM 427 N ILE A 28 -0.540 -6.082 17.323 1.00 1.00 N ATOM 428 CA ILE A 28 -0.901 -5.442 16.019 1.00 1.00 C ATOM 429 C ILE A 28 -0.613 -6.257 14.767 1.00 1.00 C ATOM 430 O ILE A 28 -1.418 -6.213 13.861 1.00 1.00 O ATOM 431 CB ILE A 28 -0.166 -4.112 15.858 1.00 1.00 C ATOM 432 CG1 ILE A 28 -0.351 -3.240 17.110 1.00 1.00 C ATOM 433 CG2 ILE A 28 -0.753 -3.361 14.616 1.00 1.00 C ATOM 434 CD1 ILE A 28 0.858 -3.358 18.070 1.00 1.00 C ATOM 0 H ILE A 28 -0.146 -5.429 18.001 1.00 1.00 H new ATOM 0 HA ILE A 28 -1.983 -5.332 16.087 1.00 1.00 H new ATOM 0 HB ILE A 28 0.898 -4.305 15.720 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -0.481 -2.199 16.813 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -1.261 -3.539 17.631 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -0.237 -2.409 14.489 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -0.614 -3.971 13.723 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -1.817 -3.180 14.770 1.00 1.00 H new ATOM 0 HD11 ILE A 28 0.692 -2.728 18.944 1.00 1.00 H new ATOM 0 HD12 ILE A 28 0.971 -4.395 18.387 1.00 1.00 H new ATOM 0 HD13 ILE A 28 1.763 -3.035 17.556 1.00 1.00 H new ATOM 446 N GLU A 29 0.504 -6.947 14.768 1.00 1.00 N ATOM 447 CA GLU A 29 0.927 -7.800 13.600 1.00 1.00 C ATOM 448 C GLU A 29 -0.312 -8.479 12.986 1.00 1.00 C ATOM 449 O GLU A 29 -0.759 -9.539 13.372 1.00 1.00 O ATOM 450 CB GLU A 29 1.971 -8.850 14.105 1.00 1.00 C ATOM 451 CG GLU A 29 1.426 -9.757 15.246 1.00 1.00 C ATOM 452 CD GLU A 29 2.559 -10.645 15.799 1.00 1.00 C ATOM 453 OE1 GLU A 29 3.519 -10.078 16.296 1.00 1.00 O ATOM 454 OE2 GLU A 29 2.403 -11.851 15.695 1.00 1.00 O ATOM 0 H GLU A 29 1.160 -6.957 15.549 1.00 1.00 H new ATOM 0 HA GLU A 29 1.391 -7.193 12.823 1.00 1.00 H new ATOM 0 HB2 GLU A 29 2.280 -9.476 13.268 1.00 1.00 H new ATOM 0 HB3 GLU A 29 2.860 -8.328 14.458 1.00 1.00 H new ATOM 0 HG2 GLU A 29 1.012 -9.142 16.045 1.00 1.00 H new ATOM 0 HG3 GLU A 29 0.614 -10.380 14.870 1.00 1.00 H new ATOM 461 N LYS A 30 -0.810 -7.779 12.002 1.00 1.00 N ATOM 462 CA LYS A 30 -2.030 -8.199 11.247 1.00 1.00 C ATOM 463 C LYS A 30 -1.761 -8.884 9.924 1.00 1.00 C ATOM 464 O LYS A 30 -0.642 -8.872 9.461 1.00 1.00 O ATOM 465 CB LYS A 30 -2.885 -6.924 11.044 1.00 1.00 C ATOM 466 CG LYS A 30 -2.024 -5.702 10.669 1.00 1.00 C ATOM 467 CD LYS A 30 -2.898 -4.482 10.274 1.00 1.00 C ATOM 468 CE LYS A 30 -3.581 -3.823 11.497 1.00 1.00 C ATOM 469 NZ LYS A 30 -4.652 -4.688 12.060 1.00 1.00 N ATOM 0 H LYS A 30 -0.406 -6.900 11.678 1.00 1.00 H new ATOM 0 HA LYS A 30 -2.546 -8.961 11.831 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -3.621 -7.103 10.260 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -3.439 -6.710 11.958 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -1.386 -5.435 11.511 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -1.366 -5.962 9.840 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -2.278 -3.743 9.766 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -3.661 -4.800 9.563 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -2.835 -3.621 12.265 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -4.005 -2.863 11.204 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -5.575 -4.228 11.928 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -4.649 -5.606 11.571 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -4.481 -4.836 13.075 1.00 1.00 H new ATOM 483 N ARG A 31 -2.805 -9.447 9.358 1.00 1.00 N ATOM 484 CA ARG A 31 -2.692 -10.157 8.062 1.00 1.00 C ATOM 485 C ARG A 31 -3.316 -9.307 6.989 1.00 1.00 C ATOM 486 O ARG A 31 -4.016 -8.375 7.313 1.00 1.00 O ATOM 487 CB ARG A 31 -3.426 -11.474 8.059 1.00 1.00 C ATOM 488 CG ARG A 31 -2.751 -12.473 8.983 1.00 1.00 C ATOM 489 CD ARG A 31 -3.332 -13.818 8.589 1.00 1.00 C ATOM 490 NE ARG A 31 -2.959 -14.819 9.630 1.00 1.00 N ATOM 491 CZ ARG A 31 -3.894 -15.380 10.350 1.00 1.00 C ATOM 492 NH1 ARG A 31 -4.544 -14.651 11.216 1.00 1.00 N ATOM 493 NH2 ARG A 31 -4.147 -16.648 10.179 1.00 1.00 N ATOM 0 H ARG A 31 -3.744 -9.439 9.755 1.00 1.00 H new ATOM 0 HA ARG A 31 -1.632 -10.342 7.889 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -4.458 -11.320 8.375 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -3.459 -11.874 7.046 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -1.668 -12.458 8.859 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -2.955 -12.245 10.029 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -4.416 -13.751 8.500 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -2.951 -14.125 7.615 1.00 1.00 H new ATOM 0 HE ARG A 31 -1.980 -15.064 9.779 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -4.319 -13.662 11.321 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -5.277 -15.071 11.787 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -3.618 -17.185 9.492 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -4.873 -17.102 10.732 1.00 1.00 H new ATOM 507 N CYS A 32 -3.063 -9.701 5.768 1.00 1.00 N ATOM 508 CA CYS A 32 -3.565 -8.978 4.562 1.00 1.00 C ATOM 509 C CYS A 32 -4.820 -9.430 3.810 1.00 1.00 C ATOM 510 O CYS A 32 -4.771 -10.353 3.021 1.00 1.00 O ATOM 511 CB CYS A 32 -2.394 -8.918 3.560 1.00 1.00 C ATOM 512 SG CYS A 32 -1.247 -7.520 3.675 1.00 1.00 S ATOM 0 H CYS A 32 -2.507 -10.528 5.550 1.00 1.00 H new ATOM 0 HA CYS A 32 -3.916 -8.037 4.985 1.00 1.00 H new ATOM 0 HB2 CYS A 32 -1.815 -9.835 3.668 1.00 1.00 H new ATOM 0 HB3 CYS A 32 -2.814 -8.923 2.554 1.00 1.00 H new ATOM 517 N ARG A 33 -5.916 -8.761 4.069 1.00 1.00 N ATOM 518 CA ARG A 33 -7.194 -9.106 3.387 1.00 1.00 C ATOM 519 C ARG A 33 -7.625 -7.898 2.510 1.00 1.00 C ATOM 520 O ARG A 33 -6.888 -6.916 2.478 1.00 1.00 O ATOM 521 CB ARG A 33 -8.242 -9.426 4.472 1.00 1.00 C ATOM 522 CG ARG A 33 -7.700 -10.561 5.368 1.00 1.00 C ATOM 523 CD ARG A 33 -8.769 -11.004 6.366 1.00 1.00 C ATOM 524 NE ARG A 33 -9.903 -11.610 5.605 1.00 1.00 N ATOM 525 CZ ARG A 33 -10.208 -12.867 5.782 1.00 1.00 C ATOM 526 NH1 ARG A 33 -9.430 -13.782 5.270 1.00 1.00 N ATOM 527 NH2 ARG A 33 -11.278 -13.166 6.466 1.00 1.00 N ATOM 528 OXT ARG A 33 -8.679 -8.022 1.908 1.00 1.00 O ATOM 0 H ARG A 33 -5.977 -7.986 4.729 1.00 1.00 H new ATOM 0 HA ARG A 33 -7.087 -9.976 2.739 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -8.449 -8.539 5.070 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -9.183 -9.726 4.011 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -7.396 -11.407 4.751 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -6.813 -10.220 5.902 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -8.355 -11.727 7.069 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -9.117 -10.153 6.951 1.00 1.00 H new ATOM 0 HE ARG A 33 -10.438 -11.042 4.948 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -8.601 -13.509 4.743 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -9.652 -14.769 5.398 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -11.861 -12.423 6.852 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -11.532 -14.143 6.614 1.00 1.00 H new