USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 277 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 Set 1.1: A 26 THR OG1 : rot 180:sc= -0.171 USER MOD Set 1.2: A 27 ASN : amide:sc= -0.092 K(o=-0.26,f=-1.9!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= -0.344 (180deg=-1.79!) USER MOD Single : A 6 HIS : no HD1:sc= -0.864 X(o=-0.86,f=-0.82) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0392) USER MOD Single : A 13 ASN : amide:sc= -4.06! X(o=-4.1!,f=-4.1) USER MOD Single : A 14 LYS NZ :NH3+ -106:sc= -1.94 (180deg=-4.58!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -98:sc= -2.79! (180deg=-5.89!) USER MOD Single : A 20 LYS NZ :NH3+ -141:sc= -2.09! (180deg=-5.09!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 1.17 (180deg=0.928) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.103 -0.677 0.746 1.00 1.00 N ATOM 2 CA GLY A 1 2.139 -0.648 -0.329 1.00 1.00 C ATOM 3 C GLY A 1 1.728 -1.556 -1.469 1.00 1.00 C ATOM 4 O GLY A 1 1.658 -1.184 -2.624 1.00 1.00 O ATOM 0 H1 GLY A 1 0.871 0.296 1.031 1.00 1.00 H new ATOM 0 H2 GLY A 1 0.246 -1.147 0.390 1.00 1.00 H new ATOM 0 H3 GLY A 1 1.469 -1.200 1.567 1.00 1.00 H new ATOM 0 HA2 GLY A 1 2.268 0.371 -0.693 1.00 1.00 H new ATOM 0 HA3 GLY A 1 3.101 -0.967 0.073 1.00 1.00 H new ATOM 10 N ASP A 2 1.473 -2.746 -1.029 1.00 1.00 N ATOM 11 CA ASP A 2 1.045 -3.864 -1.890 1.00 1.00 C ATOM 12 C ASP A 2 -0.393 -4.198 -1.552 1.00 1.00 C ATOM 13 O ASP A 2 -0.686 -4.504 -0.419 1.00 1.00 O ATOM 14 CB ASP A 2 1.896 -5.067 -1.633 1.00 1.00 C ATOM 15 CG ASP A 2 1.492 -6.225 -2.569 1.00 1.00 C ATOM 16 OD1 ASP A 2 1.741 -6.084 -3.756 1.00 1.00 O ATOM 17 OD2 ASP A 2 0.952 -7.185 -2.043 1.00 1.00 O ATOM 0 H ASP A 2 1.550 -3.000 -0.044 1.00 1.00 H new ATOM 0 HA ASP A 2 1.142 -3.579 -2.938 1.00 1.00 H new ATOM 0 HB2 ASP A 2 2.946 -4.817 -1.787 1.00 1.00 H new ATOM 0 HB3 ASP A 2 1.791 -5.378 -0.594 1.00 1.00 H new ATOM 22 N CYS A 3 -1.263 -4.156 -2.518 1.00 1.00 N ATOM 23 CA CYS A 3 -2.681 -4.476 -2.205 1.00 1.00 C ATOM 24 C CYS A 3 -2.875 -5.984 -2.305 1.00 1.00 C ATOM 25 O CYS A 3 -3.568 -6.488 -3.169 1.00 1.00 O ATOM 26 CB CYS A 3 -3.539 -3.692 -3.197 1.00 1.00 C ATOM 27 SG CYS A 3 -3.433 -1.886 -3.090 1.00 1.00 S ATOM 0 H CYS A 3 -1.062 -3.920 -3.490 1.00 1.00 H new ATOM 0 HA CYS A 3 -2.970 -4.190 -1.194 1.00 1.00 H new ATOM 0 HB2 CYS A 3 -3.258 -3.993 -4.206 1.00 1.00 H new ATOM 0 HB3 CYS A 3 -4.580 -3.984 -3.056 1.00 1.00 H new ATOM 32 N LEU A 4 -2.221 -6.654 -1.379 1.00 1.00 N ATOM 33 CA LEU A 4 -2.303 -8.152 -1.330 1.00 1.00 C ATOM 34 C LEU A 4 -3.761 -8.683 -1.263 1.00 1.00 C ATOM 35 O LEU A 4 -4.675 -7.909 -1.050 1.00 1.00 O ATOM 36 CB LEU A 4 -1.487 -8.632 -0.096 1.00 1.00 C ATOM 37 CG LEU A 4 -2.068 -8.271 1.311 1.00 1.00 C ATOM 38 CD1 LEU A 4 -2.574 -6.812 1.419 1.00 1.00 C ATOM 39 CD2 LEU A 4 -3.173 -9.233 1.753 1.00 1.00 C ATOM 0 H LEU A 4 -1.637 -6.229 -0.659 1.00 1.00 H new ATOM 0 HA LEU A 4 -1.889 -8.552 -2.256 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -1.386 -9.716 -0.155 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -0.483 -8.214 -0.168 1.00 1.00 H new ATOM 0 HG LEU A 4 -1.220 -8.375 1.988 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -2.962 -6.635 2.422 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -1.750 -6.126 1.222 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -3.366 -6.647 0.689 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -3.541 -8.937 2.735 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -3.992 -9.202 1.034 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -2.774 -10.246 1.805 1.00 1.00 H new ATOM 51 N PRO A 5 -3.951 -9.975 -1.439 1.00 1.00 N ATOM 52 CA PRO A 5 -5.242 -10.664 -1.176 1.00 1.00 C ATOM 53 C PRO A 5 -5.218 -11.350 0.201 1.00 1.00 C ATOM 54 O PRO A 5 -5.594 -10.781 1.207 1.00 1.00 O ATOM 55 CB PRO A 5 -5.347 -11.626 -2.346 1.00 1.00 C ATOM 56 CG PRO A 5 -3.853 -11.993 -2.694 1.00 1.00 C ATOM 57 CD PRO A 5 -2.955 -10.948 -1.963 1.00 1.00 C ATOM 0 HA PRO A 5 -6.110 -10.007 -1.120 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -5.921 -12.513 -2.080 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -5.850 -11.164 -3.195 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -3.616 -13.005 -2.365 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -3.687 -11.961 -3.771 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -2.373 -11.403 -1.162 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -2.246 -10.476 -2.643 1.00 1.00 H new ATOM 65 N HIS A 6 -4.778 -12.577 0.171 1.00 1.00 N ATOM 66 CA HIS A 6 -4.673 -13.404 1.410 1.00 1.00 C ATOM 67 C HIS A 6 -3.526 -12.927 2.320 1.00 1.00 C ATOM 68 O HIS A 6 -2.405 -12.871 1.859 1.00 1.00 O ATOM 69 CB HIS A 6 -4.424 -14.871 1.027 1.00 1.00 C ATOM 70 CG HIS A 6 -4.283 -15.703 2.311 1.00 1.00 C ATOM 71 ND1 HIS A 6 -5.261 -16.117 3.046 1.00 1.00 N ATOM 72 CD2 HIS A 6 -3.151 -16.175 2.954 1.00 1.00 C ATOM 73 CE1 HIS A 6 -4.797 -16.785 4.054 1.00 1.00 C ATOM 74 NE2 HIS A 6 -3.488 -16.847 4.037 1.00 1.00 N ATOM 0 H HIS A 6 -4.479 -13.054 -0.680 1.00 1.00 H new ATOM 0 HA HIS A 6 -5.610 -13.302 1.957 1.00 1.00 H new ATOM 0 HB2 HIS A 6 -5.249 -15.248 0.422 1.00 1.00 H new ATOM 0 HB3 HIS A 6 -3.521 -14.955 0.422 1.00 1.00 H new ATOM 0 HD2 HIS A 6 -2.138 -16.015 2.617 1.00 1.00 H new ATOM 0 HE1 HIS A 6 -5.414 -17.236 4.817 1.00 1.00 H new ATOM 0 HE2 HIS A 6 -2.872 -17.308 4.707 1.00 1.00 H new ATOM 82 N LEU A 7 -3.871 -12.606 3.546 1.00 1.00 N ATOM 83 CA LEU A 7 -2.955 -12.131 4.630 1.00 1.00 C ATOM 84 C LEU A 7 -1.592 -12.836 4.687 1.00 1.00 C ATOM 85 O LEU A 7 -1.285 -13.624 5.560 1.00 1.00 O ATOM 86 CB LEU A 7 -3.738 -12.276 5.978 1.00 1.00 C ATOM 87 CG LEU A 7 -4.180 -13.738 6.340 1.00 1.00 C ATOM 88 CD1 LEU A 7 -4.441 -13.803 7.861 1.00 1.00 C ATOM 89 CD2 LEU A 7 -5.519 -14.099 5.649 1.00 1.00 C ATOM 0 H LEU A 7 -4.840 -12.662 3.859 1.00 1.00 H new ATOM 0 HA LEU A 7 -2.687 -11.095 4.423 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -3.114 -11.892 6.785 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -4.626 -11.646 5.934 1.00 1.00 H new ATOM 0 HG LEU A 7 -3.396 -14.423 6.018 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -4.750 -14.812 8.134 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -3.528 -13.545 8.398 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -5.229 -13.098 8.125 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -5.803 -15.117 5.916 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -6.295 -13.408 5.977 1.00 1.00 H new ATOM 0 HD23 LEU A 7 -5.402 -14.027 4.568 1.00 1.00 H new ATOM 101 N LYS A 8 -0.812 -12.493 3.699 1.00 1.00 N ATOM 102 CA LYS A 8 0.562 -13.050 3.548 1.00 1.00 C ATOM 103 C LYS A 8 1.481 -12.498 4.626 1.00 1.00 C ATOM 104 O LYS A 8 1.142 -11.544 5.302 1.00 1.00 O ATOM 105 CB LYS A 8 1.097 -12.687 2.161 1.00 1.00 C ATOM 106 CG LYS A 8 1.045 -11.157 1.912 1.00 1.00 C ATOM 107 CD LYS A 8 1.522 -10.875 0.477 1.00 1.00 C ATOM 108 CE LYS A 8 0.552 -11.530 -0.538 1.00 1.00 C ATOM 109 NZ LYS A 8 1.295 -12.428 -1.467 1.00 1.00 N ATOM 0 H LYS A 8 -1.078 -11.831 2.970 1.00 1.00 H new ATOM 0 HA LYS A 8 0.526 -14.134 3.655 1.00 1.00 H new ATOM 0 HB2 LYS A 8 2.125 -13.037 2.063 1.00 1.00 H new ATOM 0 HB3 LYS A 8 0.511 -13.201 1.399 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.030 -10.785 2.053 1.00 1.00 H new ATOM 0 HG3 LYS A 8 1.678 -10.635 2.630 1.00 1.00 H new ATOM 0 HD2 LYS A 8 1.571 -9.800 0.305 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.529 -11.266 0.336 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -0.211 -12.099 -0.006 1.00 1.00 H new ATOM 0 HE3 LYS A 8 0.035 -10.757 -1.106 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.629 -12.858 -2.140 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 2.006 -11.877 -1.988 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 1.768 -13.177 -0.922 1.00 1.00 H new ATOM 123 N LEU A 9 2.622 -13.125 4.743 1.00 1.00 N ATOM 124 CA LEU A 9 3.621 -12.711 5.741 1.00 1.00 C ATOM 125 C LEU A 9 4.005 -11.238 5.562 1.00 1.00 C ATOM 126 O LEU A 9 3.886 -10.688 4.483 1.00 1.00 O ATOM 127 CB LEU A 9 4.787 -13.626 5.562 1.00 1.00 C ATOM 128 CG LEU A 9 4.439 -15.119 5.856 1.00 1.00 C ATOM 129 CD1 LEU A 9 5.690 -15.980 5.578 1.00 1.00 C ATOM 130 CD2 LEU A 9 4.024 -15.320 7.335 1.00 1.00 C ATOM 0 H LEU A 9 2.899 -13.923 4.171 1.00 1.00 H new ATOM 0 HA LEU A 9 3.230 -12.785 6.756 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.157 -13.539 4.540 1.00 1.00 H new ATOM 0 HB3 LEU A 9 5.595 -13.310 6.222 1.00 1.00 H new ATOM 0 HG LEU A 9 3.606 -15.412 5.218 1.00 1.00 H new ATOM 0 HD11 LEU A 9 5.463 -17.027 5.779 1.00 1.00 H new ATOM 0 HD12 LEU A 9 5.985 -15.866 4.535 1.00 1.00 H new ATOM 0 HD13 LEU A 9 6.506 -15.655 6.224 1.00 1.00 H new ATOM 0 HD21 LEU A 9 3.788 -16.370 7.507 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.845 -15.021 7.987 1.00 1.00 H new ATOM 0 HD23 LEU A 9 3.147 -14.711 7.553 1.00 1.00 H new ATOM 142 N CYS A 10 4.457 -10.653 6.639 1.00 1.00 N ATOM 143 CA CYS A 10 4.862 -9.235 6.634 1.00 1.00 C ATOM 144 C CYS A 10 5.756 -8.861 7.826 1.00 1.00 C ATOM 145 O CYS A 10 5.899 -9.613 8.774 1.00 1.00 O ATOM 146 CB CYS A 10 3.578 -8.383 6.631 1.00 1.00 C ATOM 147 SG CYS A 10 3.793 -6.594 6.739 1.00 1.00 S ATOM 0 H CYS A 10 4.561 -11.119 7.540 1.00 1.00 H new ATOM 0 HA CYS A 10 5.464 -9.046 5.745 1.00 1.00 H new ATOM 0 HB2 CYS A 10 3.024 -8.605 5.719 1.00 1.00 H new ATOM 0 HB3 CYS A 10 2.956 -8.702 7.467 1.00 1.00 H new ATOM 152 N LYS A 11 6.316 -7.681 7.696 1.00 1.00 N ATOM 153 CA LYS A 11 7.227 -7.083 8.717 1.00 1.00 C ATOM 154 C LYS A 11 6.754 -5.658 9.062 1.00 1.00 C ATOM 155 O LYS A 11 6.717 -5.288 10.220 1.00 1.00 O ATOM 156 CB LYS A 11 8.704 -7.026 8.200 1.00 1.00 C ATOM 157 CG LYS A 11 8.934 -6.243 6.866 1.00 1.00 C ATOM 158 CD LYS A 11 8.190 -6.853 5.647 1.00 1.00 C ATOM 159 CE LYS A 11 8.394 -8.384 5.580 1.00 1.00 C ATOM 160 NZ LYS A 11 9.842 -8.709 5.450 1.00 1.00 N ATOM 0 H LYS A 11 6.168 -7.083 6.883 1.00 1.00 H new ATOM 0 HA LYS A 11 7.198 -7.714 9.605 1.00 1.00 H new ATOM 0 HB2 LYS A 11 9.322 -6.573 8.975 1.00 1.00 H new ATOM 0 HB3 LYS A 11 9.060 -8.047 8.065 1.00 1.00 H new ATOM 0 HG2 LYS A 11 8.608 -5.211 7.000 1.00 1.00 H new ATOM 0 HG3 LYS A 11 10.002 -6.215 6.651 1.00 1.00 H new ATOM 0 HD2 LYS A 11 7.126 -6.627 5.716 1.00 1.00 H new ATOM 0 HD3 LYS A 11 8.554 -6.394 4.728 1.00 1.00 H new ATOM 0 HE2 LYS A 11 7.989 -8.851 6.478 1.00 1.00 H new ATOM 0 HE3 LYS A 11 7.845 -8.794 4.732 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 9.953 -9.721 5.237 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 10.257 -8.145 4.680 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 10.329 -8.488 6.342 1.00 1.00 H new ATOM 174 N GLU A 12 6.411 -4.906 8.040 1.00 1.00 N ATOM 175 CA GLU A 12 5.930 -3.493 8.219 1.00 1.00 C ATOM 176 C GLU A 12 4.520 -3.239 7.678 1.00 1.00 C ATOM 177 O GLU A 12 4.036 -3.921 6.801 1.00 1.00 O ATOM 178 CB GLU A 12 6.867 -2.515 7.493 1.00 1.00 C ATOM 179 CG GLU A 12 8.191 -2.375 8.240 1.00 1.00 C ATOM 180 CD GLU A 12 9.141 -1.470 7.429 1.00 1.00 C ATOM 181 OE1 GLU A 12 8.794 -0.310 7.262 1.00 1.00 O ATOM 182 OE2 GLU A 12 10.165 -1.993 7.017 1.00 1.00 O ATOM 0 H GLU A 12 6.445 -5.218 7.069 1.00 1.00 H new ATOM 0 HA GLU A 12 5.920 -3.336 9.298 1.00 1.00 H new ATOM 0 HB2 GLU A 12 7.053 -2.868 6.478 1.00 1.00 H new ATOM 0 HB3 GLU A 12 6.387 -1.540 7.409 1.00 1.00 H new ATOM 0 HG2 GLU A 12 8.021 -1.949 9.229 1.00 1.00 H new ATOM 0 HG3 GLU A 12 8.643 -3.356 8.389 1.00 1.00 H new ATOM 189 N ASN A 13 3.920 -2.229 8.248 1.00 1.00 N ATOM 190 CA ASN A 13 2.540 -1.774 7.887 1.00 1.00 C ATOM 191 C ASN A 13 2.515 -1.583 6.348 1.00 1.00 C ATOM 192 O ASN A 13 1.785 -2.214 5.595 1.00 1.00 O ATOM 193 CB ASN A 13 2.341 -0.469 8.679 1.00 1.00 C ATOM 194 CG ASN A 13 0.990 0.177 8.421 1.00 1.00 C ATOM 195 OD1 ASN A 13 0.006 -0.150 9.048 1.00 1.00 O ATOM 196 ND2 ASN A 13 0.907 1.099 7.502 1.00 1.00 N ATOM 0 H ASN A 13 4.351 -1.673 8.986 1.00 1.00 H new ATOM 0 HA ASN A 13 1.734 -2.466 8.133 1.00 1.00 H new ATOM 0 HB2 ASN A 13 2.441 -0.677 9.744 1.00 1.00 H new ATOM 0 HB3 ASN A 13 3.131 0.234 8.416 1.00 1.00 H new ATOM 0 HD21 ASN A 13 0.011 1.548 7.309 1.00 1.00 H new ATOM 0 HD22 ASN A 13 1.738 1.371 6.976 1.00 1.00 H new ATOM 203 N LYS A 14 3.393 -0.672 6.004 1.00 1.00 N ATOM 204 CA LYS A 14 3.676 -0.202 4.612 1.00 1.00 C ATOM 205 C LYS A 14 3.670 -1.338 3.578 1.00 1.00 C ATOM 206 O LYS A 14 3.460 -1.114 2.403 1.00 1.00 O ATOM 207 CB LYS A 14 5.050 0.494 4.653 1.00 1.00 C ATOM 208 CG LYS A 14 5.386 1.206 3.321 1.00 1.00 C ATOM 209 CD LYS A 14 6.858 1.715 3.299 1.00 1.00 C ATOM 210 CE LYS A 14 7.175 2.692 4.459 1.00 1.00 C ATOM 211 NZ LYS A 14 7.321 1.961 5.753 1.00 1.00 N ATOM 0 H LYS A 14 3.972 -0.198 6.697 1.00 1.00 H new ATOM 0 HA LYS A 14 2.887 0.478 4.291 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.063 1.221 5.465 1.00 1.00 H new ATOM 0 HB3 LYS A 14 5.822 -0.243 4.874 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.225 0.519 2.490 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.707 2.047 3.176 1.00 1.00 H new ATOM 0 HD2 LYS A 14 7.533 0.861 3.355 1.00 1.00 H new ATOM 0 HD3 LYS A 14 7.051 2.212 2.349 1.00 1.00 H new ATOM 0 HE2 LYS A 14 8.094 3.236 4.240 1.00 1.00 H new ATOM 0 HE3 LYS A 14 6.379 3.432 4.543 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 6.482 2.130 6.344 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 7.414 0.942 5.567 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 8.169 2.301 6.250 1.00 1.00 H new ATOM 225 N ASP A 15 3.904 -2.525 4.069 1.00 1.00 N ATOM 226 CA ASP A 15 3.947 -3.741 3.209 1.00 1.00 C ATOM 227 C ASP A 15 2.671 -3.959 2.412 1.00 1.00 C ATOM 228 O ASP A 15 2.723 -4.286 1.243 1.00 1.00 O ATOM 229 CB ASP A 15 4.210 -4.966 4.100 1.00 1.00 C ATOM 230 CG ASP A 15 4.348 -6.250 3.257 1.00 1.00 C ATOM 231 OD1 ASP A 15 5.287 -6.295 2.479 1.00 1.00 O ATOM 232 OD2 ASP A 15 3.505 -7.115 3.438 1.00 1.00 O ATOM 0 H ASP A 15 4.072 -2.706 5.059 1.00 1.00 H new ATOM 0 HA ASP A 15 4.747 -3.599 2.483 1.00 1.00 H new ATOM 0 HB2 ASP A 15 5.120 -4.809 4.679 1.00 1.00 H new ATOM 0 HB3 ASP A 15 3.394 -5.082 4.813 1.00 1.00 H new ATOM 237 N CYS A 16 1.570 -3.765 3.081 1.00 1.00 N ATOM 238 CA CYS A 16 0.246 -3.947 2.448 1.00 1.00 C ATOM 239 C CYS A 16 -0.578 -2.669 2.395 1.00 1.00 C ATOM 240 O CYS A 16 -0.434 -1.820 3.248 1.00 1.00 O ATOM 241 CB CYS A 16 -0.392 -5.021 3.265 1.00 1.00 C ATOM 242 SG CYS A 16 0.161 -6.659 2.724 1.00 1.00 S ATOM 0 H CYS A 16 1.537 -3.482 4.060 1.00 1.00 H new ATOM 0 HA CYS A 16 0.328 -4.219 1.396 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -0.145 -4.878 4.317 1.00 1.00 H new ATOM 0 HB3 CYS A 16 -1.477 -4.952 3.180 1.00 1.00 H new ATOM 247 N CYS A 17 -1.417 -2.571 1.391 1.00 1.00 N ATOM 248 CA CYS A 17 -2.298 -1.405 1.203 1.00 1.00 C ATOM 249 C CYS A 17 -3.293 -1.472 2.369 1.00 1.00 C ATOM 250 O CYS A 17 -3.751 -0.468 2.879 1.00 1.00 O ATOM 251 CB CYS A 17 -2.998 -1.560 -0.120 1.00 1.00 C ATOM 252 SG CYS A 17 -2.051 -1.511 -1.662 1.00 1.00 S ATOM 0 H CYS A 17 -1.521 -3.288 0.673 1.00 1.00 H new ATOM 0 HA CYS A 17 -1.773 -0.450 1.194 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -3.527 -2.512 -0.096 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -3.754 -0.777 -0.180 1.00 1.00 H new ATOM 257 N SER A 18 -3.581 -2.700 2.737 1.00 1.00 N ATOM 258 CA SER A 18 -4.509 -3.014 3.840 1.00 1.00 C ATOM 259 C SER A 18 -3.834 -2.627 5.176 1.00 1.00 C ATOM 260 O SER A 18 -4.448 -2.671 6.224 1.00 1.00 O ATOM 261 CB SER A 18 -4.815 -4.516 3.768 1.00 1.00 C ATOM 262 OG SER A 18 -5.301 -4.740 2.450 1.00 1.00 O ATOM 0 H SER A 18 -3.184 -3.525 2.287 1.00 1.00 H new ATOM 0 HA SER A 18 -5.443 -2.458 3.765 1.00 1.00 H new ATOM 0 HB2 SER A 18 -3.921 -5.109 3.963 1.00 1.00 H new ATOM 0 HB3 SER A 18 -5.556 -4.802 4.514 1.00 1.00 H new ATOM 0 HG SER A 18 -5.515 -5.690 2.337 1.00 1.00 H new ATOM 268 N LYS A 19 -2.577 -2.255 5.054 1.00 1.00 N ATOM 269 CA LYS A 19 -1.695 -1.829 6.180 1.00 1.00 C ATOM 270 C LYS A 19 -1.990 -2.418 7.577 1.00 1.00 C ATOM 271 O LYS A 19 -1.965 -1.684 8.547 1.00 1.00 O ATOM 272 CB LYS A 19 -1.770 -0.289 6.217 1.00 1.00 C ATOM 273 CG LYS A 19 -1.147 0.326 4.944 1.00 1.00 C ATOM 274 CD LYS A 19 -1.141 1.869 4.979 1.00 1.00 C ATOM 275 CE LYS A 19 -2.567 2.453 5.056 1.00 1.00 C ATOM 276 NZ LYS A 19 -3.152 2.238 6.410 1.00 1.00 N ATOM 0 H LYS A 19 -2.103 -2.231 4.151 1.00 1.00 H new ATOM 0 HA LYS A 19 -0.701 -2.226 5.972 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -2.810 0.026 6.306 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -1.247 0.083 7.098 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -0.125 -0.036 4.831 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -1.703 -0.013 4.070 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -0.563 2.209 5.838 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -0.641 2.250 4.088 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -2.541 3.519 4.831 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -3.199 1.983 4.303 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -3.767 1.400 6.393 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -2.387 2.093 7.100 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -3.711 3.072 6.683 1.00 1.00 H new ATOM 290 N LYS A 20 -2.270 -3.700 7.680 1.00 1.00 N ATOM 291 CA LYS A 20 -2.536 -4.242 9.057 1.00 1.00 C ATOM 292 C LYS A 20 -1.636 -5.472 9.201 1.00 1.00 C ATOM 293 O LYS A 20 -2.055 -6.609 9.300 1.00 1.00 O ATOM 294 CB LYS A 20 -4.019 -4.612 9.202 1.00 1.00 C ATOM 295 CG LYS A 20 -4.453 -4.688 10.677 1.00 1.00 C ATOM 296 CD LYS A 20 -4.357 -3.328 11.437 1.00 1.00 C ATOM 297 CE LYS A 20 -5.270 -2.241 10.817 1.00 1.00 C ATOM 298 NZ LYS A 20 -4.739 -1.767 9.506 1.00 1.00 N ATOM 0 H LYS A 20 -2.325 -4.368 6.911 1.00 1.00 H new ATOM 0 HA LYS A 20 -2.321 -3.510 9.835 1.00 1.00 H new ATOM 0 HB2 LYS A 20 -4.629 -3.874 8.682 1.00 1.00 H new ATOM 0 HB3 LYS A 20 -4.202 -5.573 8.720 1.00 1.00 H new ATOM 0 HG2 LYS A 20 -5.481 -5.048 10.725 1.00 1.00 H new ATOM 0 HG3 LYS A 20 -3.834 -5.424 11.190 1.00 1.00 H new ATOM 0 HD2 LYS A 20 -4.632 -3.478 12.481 1.00 1.00 H new ATOM 0 HD3 LYS A 20 -3.324 -2.981 11.426 1.00 1.00 H new ATOM 0 HE2 LYS A 20 -6.275 -2.642 10.681 1.00 1.00 H new ATOM 0 HE3 LYS A 20 -5.353 -1.399 11.504 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 -4.880 -0.740 9.425 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 -3.724 -1.983 9.444 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 -5.243 -2.247 8.733 1.00 1.00 H new ATOM 312 N CYS A 21 -0.377 -5.130 9.205 1.00 1.00 N ATOM 313 CA CYS A 21 0.743 -6.102 9.329 1.00 1.00 C ATOM 314 C CYS A 21 0.765 -6.483 10.822 1.00 1.00 C ATOM 315 O CYS A 21 1.472 -5.865 11.594 1.00 1.00 O ATOM 316 CB CYS A 21 1.989 -5.345 8.844 1.00 1.00 C ATOM 317 SG CYS A 21 3.607 -6.141 8.698 1.00 1.00 S ATOM 0 H CYS A 21 -0.066 -4.162 9.123 1.00 1.00 H new ATOM 0 HA CYS A 21 0.669 -7.020 8.747 1.00 1.00 H new ATOM 0 HB2 CYS A 21 1.748 -4.943 7.860 1.00 1.00 H new ATOM 0 HB3 CYS A 21 2.118 -4.494 9.513 1.00 1.00 H new ATOM 322 N LYS A 22 -0.014 -7.484 11.185 1.00 1.00 N ATOM 323 CA LYS A 22 -0.061 -7.916 12.634 1.00 1.00 C ATOM 324 C LYS A 22 0.257 -9.383 12.946 1.00 1.00 C ATOM 325 O LYS A 22 -0.107 -10.294 12.228 1.00 1.00 O ATOM 326 CB LYS A 22 -1.451 -7.634 13.211 1.00 1.00 C ATOM 327 CG LYS A 22 -1.768 -6.117 13.262 1.00 1.00 C ATOM 328 CD LYS A 22 -0.771 -5.344 14.175 1.00 1.00 C ATOM 329 CE LYS A 22 -0.675 -5.993 15.578 1.00 1.00 C ATOM 330 NZ LYS A 22 0.187 -5.158 16.462 1.00 1.00 N ATOM 0 H LYS A 22 -0.612 -8.016 10.553 1.00 1.00 H new ATOM 0 HA LYS A 22 0.741 -7.332 13.086 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -2.203 -8.140 12.606 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -1.517 -8.051 14.216 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -1.731 -5.705 12.254 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -2.784 -5.971 13.629 1.00 1.00 H new ATOM 0 HD2 LYS A 22 0.215 -5.329 13.710 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -1.093 -4.307 14.273 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -1.670 -6.091 16.012 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -0.262 -6.998 15.496 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 0.248 -5.598 17.403 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 1.139 -5.086 16.051 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -0.225 -4.207 16.551 1.00 1.00 H new ATOM 344 N ARG A 23 0.939 -9.514 14.055 1.00 1.00 N ATOM 345 CA ARG A 23 1.385 -10.822 14.599 1.00 1.00 C ATOM 346 C ARG A 23 0.811 -11.056 16.001 1.00 1.00 C ATOM 347 O ARG A 23 0.889 -10.216 16.876 1.00 1.00 O ATOM 348 CB ARG A 23 2.941 -10.826 14.629 1.00 1.00 C ATOM 349 CG ARG A 23 3.519 -11.979 15.473 1.00 1.00 C ATOM 350 CD ARG A 23 3.048 -13.382 15.009 1.00 1.00 C ATOM 351 NE ARG A 23 3.097 -13.461 13.521 1.00 1.00 N ATOM 352 CZ ARG A 23 2.148 -14.084 12.869 1.00 1.00 C ATOM 353 NH1 ARG A 23 2.190 -15.385 12.798 1.00 1.00 N ATOM 354 NH2 ARG A 23 1.189 -13.404 12.306 1.00 1.00 N ATOM 0 H ARG A 23 1.216 -8.720 14.631 1.00 1.00 H new ATOM 0 HA ARG A 23 1.022 -11.632 13.966 1.00 1.00 H new ATOM 0 HB2 ARG A 23 3.319 -10.903 13.610 1.00 1.00 H new ATOM 0 HB3 ARG A 23 3.295 -9.876 15.029 1.00 1.00 H new ATOM 0 HG2 ARG A 23 4.607 -11.938 15.432 1.00 1.00 H new ATOM 0 HG3 ARG A 23 3.233 -11.835 16.515 1.00 1.00 H new ATOM 0 HD2 ARG A 23 3.684 -14.152 15.445 1.00 1.00 H new ATOM 0 HD3 ARG A 23 2.033 -13.570 15.360 1.00 1.00 H new ATOM 0 HE ARG A 23 3.869 -13.030 13.012 1.00 1.00 H new ATOM 0 HH11 ARG A 23 2.951 -15.896 13.245 1.00 1.00 H new ATOM 0 HH12 ARG A 23 1.462 -15.892 12.295 1.00 1.00 H new ATOM 0 HH21 ARG A 23 1.178 -12.386 12.373 1.00 1.00 H new ATOM 0 HH22 ARG A 23 0.450 -13.890 11.798 1.00 1.00 H new ATOM 368 N ARG A 24 0.252 -12.227 16.126 1.00 1.00 N ATOM 369 CA ARG A 24 -0.378 -12.717 17.389 1.00 1.00 C ATOM 370 C ARG A 24 0.352 -14.019 17.736 1.00 1.00 C ATOM 371 O ARG A 24 -0.215 -15.078 17.925 1.00 1.00 O ATOM 372 CB ARG A 24 -1.920 -12.940 17.142 1.00 1.00 C ATOM 373 CG ARG A 24 -2.248 -13.125 15.634 1.00 1.00 C ATOM 374 CD ARG A 24 -1.536 -14.350 15.018 1.00 1.00 C ATOM 375 NE ARG A 24 -1.309 -14.033 13.580 1.00 1.00 N ATOM 376 CZ ARG A 24 -1.794 -14.799 12.641 1.00 1.00 C ATOM 377 NH1 ARG A 24 -3.080 -14.804 12.429 1.00 1.00 N ATOM 378 NH2 ARG A 24 -0.974 -15.533 11.943 1.00 1.00 N ATOM 0 H ARG A 24 0.204 -12.901 15.362 1.00 1.00 H new ATOM 0 HA ARG A 24 -0.293 -12.011 18.215 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -2.252 -13.818 17.696 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -2.477 -12.088 17.532 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -3.325 -13.236 15.511 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -1.955 -12.227 15.089 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -0.591 -14.544 15.526 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -2.146 -15.247 15.125 1.00 1.00 H new ATOM 0 HE ARG A 24 -0.768 -13.207 13.326 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -3.692 -14.215 12.993 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -3.474 -15.397 11.699 1.00 1.00 H new ATOM 0 HH21 ARG A 24 0.027 -15.502 12.135 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -1.334 -16.138 11.205 1.00 1.00 H new ATOM 392 N GLY A 25 1.642 -13.833 17.801 1.00 1.00 N ATOM 393 CA GLY A 25 2.609 -14.903 18.109 1.00 1.00 C ATOM 394 C GLY A 25 3.953 -14.321 18.544 1.00 1.00 C ATOM 395 O GLY A 25 4.061 -13.165 18.904 1.00 1.00 O ATOM 0 H GLY A 25 2.079 -12.925 17.642 1.00 1.00 H new ATOM 0 HA2 GLY A 25 2.212 -15.540 18.900 1.00 1.00 H new ATOM 0 HA3 GLY A 25 2.749 -15.534 17.232 1.00 1.00 H new ATOM 399 N THR A 26 4.935 -15.180 18.484 1.00 1.00 N ATOM 400 CA THR A 26 6.330 -14.828 18.860 1.00 1.00 C ATOM 401 C THR A 26 7.125 -14.406 17.618 1.00 1.00 C ATOM 402 O THR A 26 7.820 -13.408 17.638 1.00 1.00 O ATOM 403 CB THR A 26 7.001 -16.054 19.532 1.00 1.00 C ATOM 404 OG1 THR A 26 6.876 -17.117 18.596 1.00 1.00 O ATOM 405 CG2 THR A 26 6.207 -16.528 20.764 1.00 1.00 C ATOM 0 H THR A 26 4.819 -16.146 18.178 1.00 1.00 H new ATOM 0 HA THR A 26 6.316 -13.992 19.559 1.00 1.00 H new ATOM 0 HB THR A 26 8.020 -15.794 19.819 1.00 1.00 H new ATOM 0 HG1 THR A 26 7.286 -17.927 18.964 1.00 1.00 H new ATOM 0 HG21 THR A 26 6.706 -17.388 21.210 1.00 1.00 H new ATOM 0 HG22 THR A 26 6.153 -15.721 21.495 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.199 -16.810 20.461 1.00 1.00 H new ATOM 413 N ASN A 27 6.993 -15.185 16.576 1.00 1.00 N ATOM 414 CA ASN A 27 7.707 -14.896 15.293 1.00 1.00 C ATOM 415 C ASN A 27 7.060 -13.651 14.672 1.00 1.00 C ATOM 416 O ASN A 27 5.961 -13.727 14.155 1.00 1.00 O ATOM 417 CB ASN A 27 7.564 -16.103 14.343 1.00 1.00 C ATOM 418 CG ASN A 27 8.239 -17.335 14.961 1.00 1.00 C ATOM 419 OD1 ASN A 27 7.855 -17.816 16.009 1.00 1.00 O ATOM 420 ND2 ASN A 27 9.251 -17.876 14.340 1.00 1.00 N ATOM 0 H ASN A 27 6.412 -16.023 16.558 1.00 1.00 H new ATOM 0 HA ASN A 27 8.768 -14.720 15.468 1.00 1.00 H new ATOM 0 HB2 ASN A 27 6.510 -16.309 14.158 1.00 1.00 H new ATOM 0 HB3 ASN A 27 8.018 -15.874 13.379 1.00 1.00 H new ATOM 0 HD21 ASN A 27 9.713 -18.695 14.735 1.00 1.00 H new ATOM 0 HD22 ASN A 27 9.580 -17.479 13.460 1.00 1.00 H new ATOM 427 N ILE A 28 7.770 -12.550 14.755 1.00 1.00 N ATOM 428 CA ILE A 28 7.278 -11.244 14.202 1.00 1.00 C ATOM 429 C ILE A 28 6.541 -11.370 12.876 1.00 1.00 C ATOM 430 O ILE A 28 5.554 -10.682 12.726 1.00 1.00 O ATOM 431 CB ILE A 28 8.447 -10.260 13.991 1.00 1.00 C ATOM 432 CG1 ILE A 28 9.130 -9.988 15.349 1.00 1.00 C ATOM 433 CG2 ILE A 28 7.872 -8.916 13.421 1.00 1.00 C ATOM 434 CD1 ILE A 28 10.390 -9.117 15.137 1.00 1.00 C ATOM 0 H ILE A 28 8.690 -12.500 15.192 1.00 1.00 H new ATOM 0 HA ILE A 28 6.575 -10.876 14.949 1.00 1.00 H new ATOM 0 HB ILE A 28 9.173 -10.680 13.296 1.00 1.00 H new ATOM 0 HG12 ILE A 28 8.436 -9.482 16.021 1.00 1.00 H new ATOM 0 HG13 ILE A 28 9.404 -10.930 15.824 1.00 1.00 H new ATOM 0 HG21 ILE A 28 8.687 -8.209 13.266 1.00 1.00 H new ATOM 0 HG22 ILE A 28 7.372 -9.108 12.471 1.00 1.00 H new ATOM 0 HG23 ILE A 28 7.157 -8.497 14.129 1.00 1.00 H new ATOM 0 HD11 ILE A 28 10.868 -8.928 16.098 1.00 1.00 H new ATOM 0 HD12 ILE A 28 11.087 -9.639 14.482 1.00 1.00 H new ATOM 0 HD13 ILE A 28 10.104 -8.169 14.681 1.00 1.00 H new ATOM 446 N GLU A 29 7.035 -12.219 11.998 1.00 1.00 N ATOM 447 CA GLU A 29 6.427 -12.456 10.643 1.00 1.00 C ATOM 448 C GLU A 29 4.906 -12.416 10.794 1.00 1.00 C ATOM 449 O GLU A 29 4.257 -13.410 11.053 1.00 1.00 O ATOM 450 CB GLU A 29 6.884 -13.834 10.126 1.00 1.00 C ATOM 451 CG GLU A 29 8.420 -13.862 9.970 1.00 1.00 C ATOM 452 CD GLU A 29 8.858 -15.263 9.504 1.00 1.00 C ATOM 453 OE1 GLU A 29 8.703 -16.177 10.301 1.00 1.00 O ATOM 454 OE2 GLU A 29 9.322 -15.345 8.378 1.00 1.00 O ATOM 0 H GLU A 29 7.869 -12.779 12.174 1.00 1.00 H new ATOM 0 HA GLU A 29 6.742 -11.694 9.930 1.00 1.00 H new ATOM 0 HB2 GLU A 29 6.567 -14.614 10.819 1.00 1.00 H new ATOM 0 HB3 GLU A 29 6.410 -14.047 9.168 1.00 1.00 H new ATOM 0 HG2 GLU A 29 8.738 -13.110 9.248 1.00 1.00 H new ATOM 0 HG3 GLU A 29 8.898 -13.615 10.918 1.00 1.00 H new ATOM 461 N LYS A 30 4.412 -11.220 10.605 1.00 1.00 N ATOM 462 CA LYS A 30 2.955 -10.956 10.728 1.00 1.00 C ATOM 463 C LYS A 30 2.200 -11.132 9.439 1.00 1.00 C ATOM 464 O LYS A 30 2.788 -11.352 8.405 1.00 1.00 O ATOM 465 CB LYS A 30 2.760 -9.516 11.259 1.00 1.00 C ATOM 466 CG LYS A 30 3.553 -8.449 10.504 1.00 1.00 C ATOM 467 CD LYS A 30 4.923 -8.120 11.145 1.00 1.00 C ATOM 468 CE LYS A 30 4.776 -7.526 12.563 1.00 1.00 C ATOM 469 NZ LYS A 30 3.979 -6.268 12.520 1.00 1.00 N ATOM 0 H LYS A 30 4.972 -10.402 10.366 1.00 1.00 H new ATOM 0 HA LYS A 30 2.546 -11.693 11.419 1.00 1.00 H new ATOM 0 HB2 LYS A 30 1.700 -9.265 11.211 1.00 1.00 H new ATOM 0 HB3 LYS A 30 3.047 -9.488 12.310 1.00 1.00 H new ATOM 0 HG2 LYS A 30 3.713 -8.785 9.480 1.00 1.00 H new ATOM 0 HG3 LYS A 30 2.958 -7.537 10.451 1.00 1.00 H new ATOM 0 HD2 LYS A 30 5.527 -9.026 11.193 1.00 1.00 H new ATOM 0 HD3 LYS A 30 5.459 -7.414 10.511 1.00 1.00 H new ATOM 0 HE2 LYS A 30 4.291 -8.249 13.218 1.00 1.00 H new ATOM 0 HE3 LYS A 30 5.761 -7.325 12.984 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 4.031 -5.793 13.444 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 4.362 -5.639 11.785 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 2.987 -6.493 12.301 1.00 1.00 H new ATOM 483 N ARG A 31 0.903 -11.031 9.546 1.00 1.00 N ATOM 484 CA ARG A 31 0.052 -11.185 8.353 1.00 1.00 C ATOM 485 C ARG A 31 -0.508 -9.835 7.940 1.00 1.00 C ATOM 486 O ARG A 31 -0.575 -8.903 8.722 1.00 1.00 O ATOM 487 CB ARG A 31 -1.134 -12.127 8.629 1.00 1.00 C ATOM 488 CG ARG A 31 -0.735 -13.351 9.446 1.00 1.00 C ATOM 489 CD ARG A 31 0.428 -14.137 8.807 1.00 1.00 C ATOM 490 NE ARG A 31 0.834 -15.198 9.775 1.00 1.00 N ATOM 491 CZ ARG A 31 0.766 -16.457 9.439 1.00 1.00 C ATOM 492 NH1 ARG A 31 -0.405 -17.027 9.366 1.00 1.00 N ATOM 493 NH2 ARG A 31 1.871 -17.102 9.189 1.00 1.00 N ATOM 0 H ARG A 31 0.403 -10.848 10.416 1.00 1.00 H new ATOM 0 HA ARG A 31 0.672 -11.606 7.562 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -1.912 -11.579 9.160 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -1.563 -12.452 7.681 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -0.448 -13.036 10.449 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -1.598 -14.009 9.553 1.00 1.00 H new ATOM 0 HD2 ARG A 31 0.118 -14.579 7.860 1.00 1.00 H new ATOM 0 HD3 ARG A 31 1.266 -13.474 8.590 1.00 1.00 H new ATOM 0 HE ARG A 31 1.166 -14.938 10.704 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -1.247 -16.489 9.570 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -0.478 -18.010 9.105 1.00 1.00 H new ATOM 0 HH21 ARG A 31 2.768 -16.622 9.258 1.00 1.00 H new ATOM 0 HH22 ARG A 31 1.838 -18.087 8.925 1.00 1.00 H new ATOM 507 N CYS A 32 -0.900 -9.836 6.694 1.00 1.00 N ATOM 508 CA CYS A 32 -1.484 -8.648 6.029 1.00 1.00 C ATOM 509 C CYS A 32 -3.007 -8.613 6.076 1.00 1.00 C ATOM 510 O CYS A 32 -3.702 -9.207 5.276 1.00 1.00 O ATOM 511 CB CYS A 32 -1.006 -8.646 4.597 1.00 1.00 C ATOM 512 SG CYS A 32 0.585 -7.837 4.307 1.00 1.00 S ATOM 0 H CYS A 32 -0.833 -10.654 6.088 1.00 1.00 H new ATOM 0 HA CYS A 32 -1.154 -7.758 6.565 1.00 1.00 H new ATOM 0 HB2 CYS A 32 -0.936 -9.678 4.254 1.00 1.00 H new ATOM 0 HB3 CYS A 32 -1.760 -8.156 3.981 1.00 1.00 H new ATOM 517 N ARG A 33 -3.468 -7.883 7.048 1.00 1.00 N ATOM 518 CA ARG A 33 -4.929 -7.720 7.268 1.00 1.00 C ATOM 519 C ARG A 33 -5.295 -6.255 6.900 1.00 1.00 C ATOM 520 O ARG A 33 -4.387 -5.517 6.523 1.00 1.00 O ATOM 521 CB ARG A 33 -5.197 -8.061 8.772 1.00 1.00 C ATOM 522 CG ARG A 33 -4.275 -9.238 9.226 1.00 1.00 C ATOM 523 CD ARG A 33 -4.383 -9.483 10.734 1.00 1.00 C ATOM 524 NE ARG A 33 -3.224 -10.350 11.116 1.00 1.00 N ATOM 525 CZ ARG A 33 -3.415 -11.543 11.609 1.00 1.00 C ATOM 526 NH1 ARG A 33 -3.971 -12.454 10.859 1.00 1.00 N ATOM 527 NH2 ARG A 33 -3.042 -11.780 12.835 1.00 1.00 N ATOM 528 OXT ARG A 33 -6.470 -5.950 7.017 1.00 1.00 O ATOM 0 H ARG A 33 -2.881 -7.381 7.714 1.00 1.00 H new ATOM 0 HA ARG A 33 -5.544 -8.377 6.653 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -5.011 -7.183 9.391 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -6.243 -8.333 8.911 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -4.549 -10.145 8.688 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -3.241 -9.013 8.966 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -4.358 -8.541 11.281 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -5.327 -9.969 10.980 1.00 1.00 H new ATOM 0 HE ARG A 33 -2.273 -10.004 10.989 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -4.249 -12.228 9.904 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -4.128 -13.392 11.228 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -2.610 -11.040 13.389 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -3.182 -12.705 13.241 1.00 1.00 H new TER 542 ARG A 33