USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=10 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 13 ASN : amide:sc= -0.793 K(o=-1.8,f=-3.3) USER MOD Set 1.2: A 30 LYS NZ :NH3+ -124:sc= -0.997 (180deg=-4.82!) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0 (180deg=-0.92) USER MOD Single : A 6 HIS : no HD1:sc= -3.46 K(o=-3.5,f=-5.6!) USER MOD Single : A 8 LYS NZ :NH3+ 157:sc= 0.537 (180deg=-0.608) USER MOD Single : A 11 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.0426) USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= -0.142 (180deg=-0.753) USER MOD Single : A 18 SER OG : rot -23:sc= 0.133 USER MOD Single : A 19 LYS NZ :NH3+ -133:sc= -1.77 (180deg=-4.63!) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0356 (180deg=-0.43) USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= -0.454 (180deg=-0.905) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.49! C(o=-3.5!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.093 -0.744 -1.666 1.00 1.00 N ATOM 2 CA GLY A 1 1.369 -0.513 -1.846 1.00 1.00 C ATOM 3 C GLY A 1 2.126 -1.821 -1.718 1.00 1.00 C ATOM 4 O GLY A 1 2.848 -2.261 -2.592 1.00 1.00 O ATOM 0 H1 GLY A 1 -0.615 -0.283 -2.438 1.00 1.00 H new ATOM 0 H2 GLY A 1 -0.287 -1.766 -1.679 1.00 1.00 H new ATOM 0 H3 GLY A 1 -0.398 -0.345 -0.755 1.00 1.00 H new ATOM 0 HA2 GLY A 1 1.557 -0.070 -2.824 1.00 1.00 H new ATOM 0 HA3 GLY A 1 1.727 0.197 -1.100 1.00 1.00 H new ATOM 10 N ASP A 2 1.890 -2.370 -0.571 1.00 1.00 N ATOM 11 CA ASP A 2 2.474 -3.652 -0.133 1.00 1.00 C ATOM 12 C ASP A 2 1.351 -4.641 0.198 1.00 1.00 C ATOM 13 O ASP A 2 1.202 -5.071 1.324 1.00 1.00 O ATOM 14 CB ASP A 2 3.348 -3.384 1.075 1.00 1.00 C ATOM 15 CG ASP A 2 4.434 -2.345 0.737 1.00 1.00 C ATOM 16 OD1 ASP A 2 5.256 -2.665 -0.107 1.00 1.00 O ATOM 17 OD2 ASP A 2 4.377 -1.286 1.341 1.00 1.00 O ATOM 0 H ASP A 2 1.273 -1.950 0.125 1.00 1.00 H new ATOM 0 HA ASP A 2 3.082 -4.093 -0.923 1.00 1.00 H new ATOM 0 HB2 ASP A 2 2.736 -3.023 1.901 1.00 1.00 H new ATOM 0 HB3 ASP A 2 3.815 -4.312 1.406 1.00 1.00 H new ATOM 22 N CYS A 3 0.588 -4.985 -0.808 1.00 1.00 N ATOM 23 CA CYS A 3 -0.540 -5.938 -0.600 1.00 1.00 C ATOM 24 C CYS A 3 -0.055 -7.392 -0.666 1.00 1.00 C ATOM 25 O CYS A 3 -0.338 -8.133 -1.589 1.00 1.00 O ATOM 26 CB CYS A 3 -1.595 -5.666 -1.673 1.00 1.00 C ATOM 27 SG CYS A 3 -2.342 -4.019 -1.727 1.00 1.00 S ATOM 0 H CYS A 3 0.699 -4.646 -1.764 1.00 1.00 H new ATOM 0 HA CYS A 3 -0.969 -5.791 0.391 1.00 1.00 H new ATOM 0 HB2 CYS A 3 -1.141 -5.859 -2.645 1.00 1.00 H new ATOM 0 HB3 CYS A 3 -2.397 -6.393 -1.545 1.00 1.00 H new ATOM 32 N LEU A 4 0.688 -7.717 0.362 1.00 1.00 N ATOM 33 CA LEU A 4 1.291 -9.077 0.559 1.00 1.00 C ATOM 34 C LEU A 4 0.286 -10.229 0.311 1.00 1.00 C ATOM 35 O LEU A 4 -0.902 -9.985 0.227 1.00 1.00 O ATOM 36 CB LEU A 4 1.831 -9.121 2.009 1.00 1.00 C ATOM 37 CG LEU A 4 3.014 -8.131 2.194 1.00 1.00 C ATOM 38 CD1 LEU A 4 3.442 -8.156 3.665 1.00 1.00 C ATOM 39 CD2 LEU A 4 4.233 -8.544 1.332 1.00 1.00 C ATOM 0 H LEU A 4 0.913 -7.062 1.111 1.00 1.00 H new ATOM 0 HA LEU A 4 2.086 -9.229 -0.172 1.00 1.00 H new ATOM 0 HB2 LEU A 4 1.031 -8.871 2.706 1.00 1.00 H new ATOM 0 HB3 LEU A 4 2.158 -10.133 2.248 1.00 1.00 H new ATOM 0 HG LEU A 4 2.685 -7.138 1.887 1.00 1.00 H new ATOM 0 HD11 LEU A 4 4.273 -7.466 3.814 1.00 1.00 H new ATOM 0 HD12 LEU A 4 2.603 -7.855 4.293 1.00 1.00 H new ATOM 0 HD13 LEU A 4 3.755 -9.164 3.936 1.00 1.00 H new ATOM 0 HD21 LEU A 4 5.044 -7.832 1.484 1.00 1.00 H new ATOM 0 HD22 LEU A 4 4.565 -9.540 1.625 1.00 1.00 H new ATOM 0 HD23 LEU A 4 3.949 -8.552 0.280 1.00 1.00 H new ATOM 51 N PRO A 5 0.768 -11.452 0.203 1.00 1.00 N ATOM 52 CA PRO A 5 -0.107 -12.660 0.096 1.00 1.00 C ATOM 53 C PRO A 5 -0.864 -12.878 1.421 1.00 1.00 C ATOM 54 O PRO A 5 -1.137 -11.928 2.130 1.00 1.00 O ATOM 55 CB PRO A 5 0.881 -13.779 -0.268 1.00 1.00 C ATOM 56 CG PRO A 5 2.157 -13.341 0.481 1.00 1.00 C ATOM 57 CD PRO A 5 2.216 -11.836 0.175 1.00 1.00 C ATOM 0 HA PRO A 5 -0.899 -12.593 -0.650 1.00 1.00 H new ATOM 0 HB2 PRO A 5 0.530 -14.756 0.063 1.00 1.00 H new ATOM 0 HB3 PRO A 5 1.043 -13.846 -1.344 1.00 1.00 H new ATOM 0 HG2 PRO A 5 2.088 -13.536 1.551 1.00 1.00 H new ATOM 0 HG3 PRO A 5 3.041 -13.865 0.118 1.00 1.00 H new ATOM 0 HD2 PRO A 5 2.796 -11.291 0.920 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.672 -11.635 -0.794 1.00 1.00 H new ATOM 65 N HIS A 6 -1.184 -14.119 1.696 1.00 1.00 N ATOM 66 CA HIS A 6 -1.914 -14.525 2.940 1.00 1.00 C ATOM 67 C HIS A 6 -1.466 -13.763 4.206 1.00 1.00 C ATOM 68 O HIS A 6 -0.419 -13.153 4.238 1.00 1.00 O ATOM 69 CB HIS A 6 -1.694 -16.061 3.079 1.00 1.00 C ATOM 70 CG HIS A 6 -1.983 -16.599 4.489 1.00 1.00 C ATOM 71 ND1 HIS A 6 -1.227 -16.403 5.520 1.00 1.00 N ATOM 72 CD2 HIS A 6 -3.028 -17.363 4.977 1.00 1.00 C ATOM 73 CE1 HIS A 6 -1.739 -16.983 6.556 1.00 1.00 C ATOM 74 NE2 HIS A 6 -2.861 -17.593 6.264 1.00 1.00 N ATOM 0 H HIS A 6 -0.959 -14.901 1.081 1.00 1.00 H new ATOM 0 HA HIS A 6 -2.970 -14.270 2.849 1.00 1.00 H new ATOM 0 HB2 HIS A 6 -2.334 -16.577 2.364 1.00 1.00 H new ATOM 0 HB3 HIS A 6 -0.664 -16.298 2.813 1.00 1.00 H new ATOM 0 HD2 HIS A 6 -3.860 -17.719 4.388 1.00 1.00 H new ATOM 0 HE1 HIS A 6 -1.296 -16.967 7.541 1.00 1.00 H new ATOM 0 HE2 HIS A 6 -3.467 -18.124 6.889 1.00 1.00 H new ATOM 82 N LEU A 7 -2.311 -13.840 5.198 1.00 1.00 N ATOM 83 CA LEU A 7 -2.104 -13.198 6.522 1.00 1.00 C ATOM 84 C LEU A 7 -1.002 -13.863 7.358 1.00 1.00 C ATOM 85 O LEU A 7 -1.217 -14.244 8.489 1.00 1.00 O ATOM 86 CB LEU A 7 -3.495 -13.194 7.270 1.00 1.00 C ATOM 87 CG LEU A 7 -4.102 -14.606 7.594 1.00 1.00 C ATOM 88 CD1 LEU A 7 -5.073 -14.458 8.791 1.00 1.00 C ATOM 89 CD2 LEU A 7 -4.973 -15.131 6.420 1.00 1.00 C ATOM 0 H LEU A 7 -3.189 -14.355 5.134 1.00 1.00 H new ATOM 0 HA LEU A 7 -1.747 -12.179 6.372 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -3.382 -12.645 8.205 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -4.212 -12.642 6.661 1.00 1.00 H new ATOM 0 HG LEU A 7 -3.273 -15.286 7.790 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -5.505 -15.429 9.031 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -4.529 -14.079 9.656 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -5.869 -13.761 8.529 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -5.378 -16.110 6.677 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -5.793 -14.436 6.236 1.00 1.00 H new ATOM 0 HD23 LEU A 7 -4.361 -15.216 5.522 1.00 1.00 H new ATOM 101 N LYS A 8 0.168 -13.996 6.779 1.00 1.00 N ATOM 102 CA LYS A 8 1.298 -14.616 7.517 1.00 1.00 C ATOM 103 C LYS A 8 1.739 -13.621 8.592 1.00 1.00 C ATOM 104 O LYS A 8 1.303 -12.480 8.624 1.00 1.00 O ATOM 105 CB LYS A 8 2.481 -14.946 6.528 1.00 1.00 C ATOM 106 CG LYS A 8 3.312 -13.756 5.926 1.00 1.00 C ATOM 107 CD LYS A 8 2.592 -12.955 4.815 1.00 1.00 C ATOM 108 CE LYS A 8 1.845 -11.743 5.381 1.00 1.00 C ATOM 109 NZ LYS A 8 2.792 -10.819 6.067 1.00 1.00 N ATOM 0 H LYS A 8 0.383 -13.700 5.827 1.00 1.00 H new ATOM 0 HA LYS A 8 0.994 -15.556 7.978 1.00 1.00 H new ATOM 0 HB2 LYS A 8 3.176 -15.604 7.050 1.00 1.00 H new ATOM 0 HB3 LYS A 8 2.068 -15.515 5.696 1.00 1.00 H new ATOM 0 HG2 LYS A 8 3.577 -13.073 6.733 1.00 1.00 H new ATOM 0 HG3 LYS A 8 4.245 -14.151 5.523 1.00 1.00 H new ATOM 0 HD2 LYS A 8 3.321 -12.621 4.077 1.00 1.00 H new ATOM 0 HD3 LYS A 8 1.888 -13.606 4.296 1.00 1.00 H new ATOM 0 HE2 LYS A 8 1.333 -11.216 4.576 1.00 1.00 H new ATOM 0 HE3 LYS A 8 1.080 -12.075 6.082 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 2.383 -9.863 6.098 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 2.963 -11.154 7.037 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 3.692 -10.794 5.546 1.00 1.00 H new ATOM 123 N LEU A 9 2.596 -14.114 9.441 1.00 1.00 N ATOM 124 CA LEU A 9 3.145 -13.326 10.549 1.00 1.00 C ATOM 125 C LEU A 9 3.866 -12.040 10.126 1.00 1.00 C ATOM 126 O LEU A 9 4.516 -11.976 9.100 1.00 1.00 O ATOM 127 CB LEU A 9 4.085 -14.241 11.314 1.00 1.00 C ATOM 128 CG LEU A 9 5.221 -14.871 10.434 1.00 1.00 C ATOM 129 CD1 LEU A 9 6.508 -14.970 11.285 1.00 1.00 C ATOM 130 CD2 LEU A 9 4.852 -16.319 10.011 1.00 1.00 C ATOM 0 H LEU A 9 2.944 -15.072 9.399 1.00 1.00 H new ATOM 0 HA LEU A 9 2.315 -12.976 11.162 1.00 1.00 H new ATOM 0 HB2 LEU A 9 4.541 -13.678 12.128 1.00 1.00 H new ATOM 0 HB3 LEU A 9 3.504 -15.044 11.768 1.00 1.00 H new ATOM 0 HG LEU A 9 5.357 -14.245 9.552 1.00 1.00 H new ATOM 0 HD11 LEU A 9 7.307 -15.407 10.686 1.00 1.00 H new ATOM 0 HD12 LEU A 9 6.804 -13.974 11.614 1.00 1.00 H new ATOM 0 HD13 LEU A 9 6.321 -15.599 12.155 1.00 1.00 H new ATOM 0 HD21 LEU A 9 5.654 -16.736 9.402 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.715 -16.934 10.900 1.00 1.00 H new ATOM 0 HD23 LEU A 9 3.928 -16.305 9.434 1.00 1.00 H new ATOM 142 N CYS A 10 3.698 -11.057 10.970 1.00 1.00 N ATOM 143 CA CYS A 10 4.296 -9.724 10.788 1.00 1.00 C ATOM 144 C CYS A 10 4.570 -9.137 12.181 1.00 1.00 C ATOM 145 O CYS A 10 4.237 -9.738 13.187 1.00 1.00 O ATOM 146 CB CYS A 10 3.331 -8.766 10.000 1.00 1.00 C ATOM 147 SG CYS A 10 2.223 -7.682 10.941 1.00 1.00 S ATOM 0 H CYS A 10 3.139 -11.141 11.819 1.00 1.00 H new ATOM 0 HA CYS A 10 5.215 -9.818 10.210 1.00 1.00 H new ATOM 0 HB2 CYS A 10 3.944 -8.134 9.357 1.00 1.00 H new ATOM 0 HB3 CYS A 10 2.714 -9.383 9.346 1.00 1.00 H new ATOM 152 N LYS A 11 5.178 -7.978 12.183 1.00 1.00 N ATOM 153 CA LYS A 11 5.512 -7.267 13.454 1.00 1.00 C ATOM 154 C LYS A 11 4.881 -5.853 13.431 1.00 1.00 C ATOM 155 O LYS A 11 4.716 -5.246 14.471 1.00 1.00 O ATOM 156 CB LYS A 11 7.078 -7.310 13.572 1.00 1.00 C ATOM 157 CG LYS A 11 7.880 -6.507 12.516 1.00 1.00 C ATOM 158 CD LYS A 11 7.751 -4.984 12.713 1.00 1.00 C ATOM 159 CE LYS A 11 7.921 -4.595 14.200 1.00 1.00 C ATOM 160 NZ LYS A 11 9.263 -5.007 14.699 1.00 1.00 N ATOM 0 H LYS A 11 5.463 -7.484 11.337 1.00 1.00 H new ATOM 0 HA LYS A 11 5.098 -7.731 14.349 1.00 1.00 H new ATOM 0 HB2 LYS A 11 7.355 -6.943 14.560 1.00 1.00 H new ATOM 0 HB3 LYS A 11 7.394 -8.352 13.519 1.00 1.00 H new ATOM 0 HG2 LYS A 11 8.931 -6.790 12.570 1.00 1.00 H new ATOM 0 HG3 LYS A 11 7.529 -6.773 11.519 1.00 1.00 H new ATOM 0 HD2 LYS A 11 8.503 -4.472 12.112 1.00 1.00 H new ATOM 0 HD3 LYS A 11 6.777 -4.650 12.356 1.00 1.00 H new ATOM 0 HE2 LYS A 11 7.799 -3.518 14.316 1.00 1.00 H new ATOM 0 HE3 LYS A 11 7.143 -5.071 14.797 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 9.594 -4.324 15.410 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 9.198 -5.951 15.130 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 9.935 -5.034 13.906 1.00 1.00 H new ATOM 174 N GLU A 12 4.552 -5.377 12.249 1.00 1.00 N ATOM 175 CA GLU A 12 3.915 -4.027 12.051 1.00 1.00 C ATOM 176 C GLU A 12 2.751 -4.159 11.059 1.00 1.00 C ATOM 177 O GLU A 12 2.795 -4.985 10.168 1.00 1.00 O ATOM 178 CB GLU A 12 4.931 -3.016 11.476 1.00 1.00 C ATOM 179 CG GLU A 12 5.612 -2.261 12.634 1.00 1.00 C ATOM 180 CD GLU A 12 6.738 -1.367 12.084 1.00 1.00 C ATOM 181 OE1 GLU A 12 7.708 -1.939 11.612 1.00 1.00 O ATOM 182 OE2 GLU A 12 6.566 -0.161 12.164 1.00 1.00 O ATOM 0 H GLU A 12 4.705 -5.889 11.380 1.00 1.00 H new ATOM 0 HA GLU A 12 3.563 -3.669 13.019 1.00 1.00 H new ATOM 0 HB2 GLU A 12 5.678 -3.536 10.877 1.00 1.00 H new ATOM 0 HB3 GLU A 12 4.426 -2.312 10.815 1.00 1.00 H new ATOM 0 HG2 GLU A 12 4.879 -1.653 13.165 1.00 1.00 H new ATOM 0 HG3 GLU A 12 6.018 -2.971 13.354 1.00 1.00 H new ATOM 189 N ASN A 13 1.743 -3.340 11.232 1.00 1.00 N ATOM 190 CA ASN A 13 0.565 -3.375 10.325 1.00 1.00 C ATOM 191 C ASN A 13 0.991 -2.935 8.927 1.00 1.00 C ATOM 192 O ASN A 13 0.592 -3.524 7.939 1.00 1.00 O ATOM 193 CB ASN A 13 -0.524 -2.439 10.872 1.00 1.00 C ATOM 194 CG ASN A 13 -1.168 -3.089 12.104 1.00 1.00 C ATOM 195 OD1 ASN A 13 -0.533 -3.313 13.116 1.00 1.00 O ATOM 196 ND2 ASN A 13 -2.433 -3.409 12.056 1.00 1.00 N ATOM 0 H ASN A 13 1.690 -2.642 11.974 1.00 1.00 H new ATOM 0 HA ASN A 13 0.166 -4.388 10.270 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -0.092 -1.474 11.138 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -1.278 -2.251 10.108 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -2.880 -3.843 12.863 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -2.974 -3.225 11.211 1.00 1.00 H new ATOM 203 N LYS A 14 1.802 -1.904 8.925 1.00 1.00 N ATOM 204 CA LYS A 14 2.361 -1.291 7.675 1.00 1.00 C ATOM 205 C LYS A 14 2.726 -2.370 6.643 1.00 1.00 C ATOM 206 O LYS A 14 2.619 -2.161 5.450 1.00 1.00 O ATOM 207 CB LYS A 14 3.624 -0.480 8.029 1.00 1.00 C ATOM 208 CG LYS A 14 3.347 0.537 9.163 1.00 1.00 C ATOM 209 CD LYS A 14 2.109 1.403 8.826 1.00 1.00 C ATOM 210 CE LYS A 14 1.956 2.518 9.859 1.00 1.00 C ATOM 211 NZ LYS A 14 3.129 3.429 9.780 1.00 1.00 N ATOM 0 H LYS A 14 2.113 -1.441 9.779 1.00 1.00 H new ATOM 0 HA LYS A 14 1.601 -0.641 7.240 1.00 1.00 H new ATOM 0 HB2 LYS A 14 4.420 -1.159 8.335 1.00 1.00 H new ATOM 0 HB3 LYS A 14 3.978 0.048 7.144 1.00 1.00 H new ATOM 0 HG2 LYS A 14 3.183 0.008 10.102 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.218 1.177 9.306 1.00 1.00 H new ATOM 0 HD2 LYS A 14 2.215 1.831 7.829 1.00 1.00 H new ATOM 0 HD3 LYS A 14 1.213 0.782 8.813 1.00 1.00 H new ATOM 0 HE2 LYS A 14 1.037 3.074 9.676 1.00 1.00 H new ATOM 0 HE3 LYS A 14 1.878 2.093 10.860 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 2.872 4.360 10.167 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 3.916 3.030 10.331 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 3.420 3.535 8.787 1.00 1.00 H new ATOM 225 N ASP A 15 3.148 -3.489 7.184 1.00 1.00 N ATOM 226 CA ASP A 15 3.562 -4.688 6.394 1.00 1.00 C ATOM 227 C ASP A 15 2.656 -4.923 5.179 1.00 1.00 C ATOM 228 O ASP A 15 3.130 -5.166 4.086 1.00 1.00 O ATOM 229 CB ASP A 15 3.535 -5.909 7.344 1.00 1.00 C ATOM 230 CG ASP A 15 4.147 -7.165 6.693 1.00 1.00 C ATOM 231 OD1 ASP A 15 5.182 -7.022 6.061 1.00 1.00 O ATOM 232 OD2 ASP A 15 3.547 -8.211 6.872 1.00 1.00 O ATOM 0 H ASP A 15 3.224 -3.622 8.192 1.00 1.00 H new ATOM 0 HA ASP A 15 4.565 -4.529 5.997 1.00 1.00 H new ATOM 0 HB2 ASP A 15 4.083 -5.670 8.256 1.00 1.00 H new ATOM 0 HB3 ASP A 15 2.506 -6.118 7.636 1.00 1.00 H new ATOM 237 N CYS A 16 1.375 -4.835 5.428 1.00 1.00 N ATOM 238 CA CYS A 16 0.353 -5.032 4.372 1.00 1.00 C ATOM 239 C CYS A 16 -0.295 -3.697 3.995 1.00 1.00 C ATOM 240 O CYS A 16 -0.390 -2.813 4.824 1.00 1.00 O ATOM 241 CB CYS A 16 -0.681 -6.002 4.918 1.00 1.00 C ATOM 242 SG CYS A 16 -0.336 -7.754 4.626 1.00 1.00 S ATOM 0 H CYS A 16 0.990 -4.628 6.350 1.00 1.00 H new ATOM 0 HA CYS A 16 0.808 -5.434 3.467 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -0.772 -5.842 5.992 1.00 1.00 H new ATOM 0 HB3 CYS A 16 -1.648 -5.762 4.476 1.00 1.00 H new ATOM 247 N CYS A 17 -0.728 -3.590 2.758 1.00 1.00 N ATOM 248 CA CYS A 17 -1.377 -2.359 2.264 1.00 1.00 C ATOM 249 C CYS A 17 -2.692 -2.187 3.033 1.00 1.00 C ATOM 250 O CYS A 17 -3.146 -1.085 3.276 1.00 1.00 O ATOM 251 CB CYS A 17 -1.609 -2.536 0.776 1.00 1.00 C ATOM 252 SG CYS A 17 -2.910 -3.641 0.175 1.00 1.00 S ATOM 0 H CYS A 17 -0.650 -4.332 2.062 1.00 1.00 H new ATOM 0 HA CYS A 17 -0.769 -1.467 2.418 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -1.809 -1.548 0.362 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -0.670 -2.879 0.342 1.00 1.00 H new ATOM 257 N SER A 18 -3.252 -3.318 3.384 1.00 1.00 N ATOM 258 CA SER A 18 -4.521 -3.381 4.141 1.00 1.00 C ATOM 259 C SER A 18 -4.254 -2.887 5.577 1.00 1.00 C ATOM 260 O SER A 18 -5.173 -2.537 6.292 1.00 1.00 O ATOM 261 CB SER A 18 -5.010 -4.839 4.140 1.00 1.00 C ATOM 262 OG SER A 18 -6.201 -4.829 4.915 1.00 1.00 O ATOM 0 H SER A 18 -2.857 -4.232 3.163 1.00 1.00 H new ATOM 0 HA SER A 18 -5.288 -2.751 3.690 1.00 1.00 H new ATOM 0 HB2 SER A 18 -5.202 -5.190 3.126 1.00 1.00 H new ATOM 0 HB3 SER A 18 -4.264 -5.506 4.572 1.00 1.00 H new ATOM 0 HG SER A 18 -6.190 -4.060 5.522 1.00 1.00 H new ATOM 268 N LYS A 19 -2.988 -2.880 5.930 1.00 1.00 N ATOM 269 CA LYS A 19 -2.507 -2.439 7.279 1.00 1.00 C ATOM 270 C LYS A 19 -3.390 -2.960 8.428 1.00 1.00 C ATOM 271 O LYS A 19 -3.588 -2.278 9.416 1.00 1.00 O ATOM 272 CB LYS A 19 -2.472 -0.887 7.297 1.00 1.00 C ATOM 273 CG LYS A 19 -1.529 -0.349 6.196 1.00 1.00 C ATOM 274 CD LYS A 19 -1.669 1.188 6.004 1.00 1.00 C ATOM 275 CE LYS A 19 -1.198 1.991 7.238 1.00 1.00 C ATOM 276 NZ LYS A 19 -2.141 1.839 8.383 1.00 1.00 N ATOM 0 H LYS A 19 -2.237 -3.176 5.307 1.00 1.00 H new ATOM 0 HA LYS A 19 -1.514 -2.857 7.441 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -3.477 -0.494 7.146 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -2.136 -0.537 8.273 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -0.498 -0.589 6.454 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -1.748 -0.853 5.254 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -1.089 1.495 5.133 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -2.711 1.430 5.795 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -0.205 1.653 7.536 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -1.110 3.045 6.975 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -2.345 2.774 8.791 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -3.026 1.407 8.049 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -1.711 1.231 9.109 1.00 1.00 H new ATOM 290 N LYS A 20 -3.888 -4.163 8.261 1.00 1.00 N ATOM 291 CA LYS A 20 -4.758 -4.772 9.312 1.00 1.00 C ATOM 292 C LYS A 20 -4.097 -6.082 9.747 1.00 1.00 C ATOM 293 O LYS A 20 -4.572 -7.167 9.475 1.00 1.00 O ATOM 294 CB LYS A 20 -6.191 -5.005 8.714 1.00 1.00 C ATOM 295 CG LYS A 20 -7.210 -4.062 9.383 1.00 1.00 C ATOM 296 CD LYS A 20 -6.941 -2.590 8.990 1.00 1.00 C ATOM 297 CE LYS A 20 -7.887 -1.671 9.772 1.00 1.00 C ATOM 298 NZ LYS A 20 -9.303 -2.015 9.468 1.00 1.00 N ATOM 0 H LYS A 20 -3.728 -4.748 7.441 1.00 1.00 H new ATOM 0 HA LYS A 20 -4.868 -4.124 10.181 1.00 1.00 H new ATOM 0 HB2 LYS A 20 -6.176 -4.831 7.638 1.00 1.00 H new ATOM 0 HB3 LYS A 20 -6.491 -6.042 8.865 1.00 1.00 H new ATOM 0 HG2 LYS A 20 -8.221 -4.343 9.086 1.00 1.00 H new ATOM 0 HG3 LYS A 20 -7.154 -4.169 10.466 1.00 1.00 H new ATOM 0 HD2 LYS A 20 -5.904 -2.329 9.203 1.00 1.00 H new ATOM 0 HD3 LYS A 20 -7.089 -2.456 7.919 1.00 1.00 H new ATOM 0 HE2 LYS A 20 -7.702 -1.771 10.841 1.00 1.00 H new ATOM 0 HE3 LYS A 20 -7.694 -0.630 9.511 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 -9.924 -1.245 9.790 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 -9.416 -2.145 8.442 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 -9.560 -2.895 9.959 1.00 1.00 H new ATOM 312 N CYS A 21 -2.988 -5.938 10.426 1.00 1.00 N ATOM 313 CA CYS A 21 -2.264 -7.148 10.901 1.00 1.00 C ATOM 314 C CYS A 21 -2.440 -7.199 12.415 1.00 1.00 C ATOM 315 O CYS A 21 -2.261 -6.200 13.088 1.00 1.00 O ATOM 316 CB CYS A 21 -0.781 -7.031 10.469 1.00 1.00 C ATOM 317 SG CYS A 21 0.341 -8.410 10.829 1.00 1.00 S ATOM 0 H CYS A 21 -2.559 -5.045 10.668 1.00 1.00 H new ATOM 0 HA CYS A 21 -2.649 -8.074 10.474 1.00 1.00 H new ATOM 0 HB2 CYS A 21 -0.762 -6.862 9.392 1.00 1.00 H new ATOM 0 HB3 CYS A 21 -0.369 -6.138 10.939 1.00 1.00 H new ATOM 322 N LYS A 22 -2.787 -8.372 12.900 1.00 1.00 N ATOM 323 CA LYS A 22 -3.003 -8.536 14.388 1.00 1.00 C ATOM 324 C LYS A 22 -2.365 -9.760 15.073 1.00 1.00 C ATOM 325 O LYS A 22 -2.185 -10.804 14.482 1.00 1.00 O ATOM 326 CB LYS A 22 -4.501 -8.568 14.656 1.00 1.00 C ATOM 327 CG LYS A 22 -5.141 -9.696 13.839 1.00 1.00 C ATOM 328 CD LYS A 22 -6.457 -10.141 14.494 1.00 1.00 C ATOM 329 CE LYS A 22 -6.227 -10.776 15.886 1.00 1.00 C ATOM 330 NZ LYS A 22 -5.188 -11.846 15.825 1.00 1.00 N ATOM 0 H LYS A 22 -2.930 -9.215 12.343 1.00 1.00 H new ATOM 0 HA LYS A 22 -2.487 -7.682 14.827 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -4.688 -8.723 15.719 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -4.950 -7.611 14.389 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -5.329 -9.356 12.821 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -4.455 -10.541 13.772 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -7.121 -9.282 14.593 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -6.959 -10.860 13.846 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -5.919 -10.006 16.594 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -7.163 -11.194 16.257 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -5.253 -12.442 16.675 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -5.342 -12.431 14.979 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -4.244 -11.411 15.778 1.00 1.00 H new ATOM 344 N ARG A 23 -2.064 -9.551 16.333 1.00 1.00 N ATOM 345 CA ARG A 23 -1.423 -10.585 17.213 1.00 1.00 C ATOM 346 C ARG A 23 -2.103 -10.738 18.587 1.00 1.00 C ATOM 347 O ARG A 23 -1.476 -10.607 19.620 1.00 1.00 O ATOM 348 CB ARG A 23 0.103 -10.194 17.357 1.00 1.00 C ATOM 349 CG ARG A 23 0.370 -8.682 17.659 1.00 1.00 C ATOM 350 CD ARG A 23 0.025 -8.264 19.097 1.00 1.00 C ATOM 351 NE ARG A 23 0.778 -9.148 20.039 1.00 1.00 N ATOM 352 CZ ARG A 23 1.662 -8.644 20.856 1.00 1.00 C ATOM 353 NH1 ARG A 23 1.254 -7.956 21.887 1.00 1.00 N ATOM 354 NH2 ARG A 23 2.927 -8.847 20.611 1.00 1.00 N ATOM 0 H ARG A 23 -2.245 -8.667 16.808 1.00 1.00 H new ATOM 0 HA ARG A 23 -1.536 -11.565 16.748 1.00 1.00 H new ATOM 0 HB2 ARG A 23 0.542 -10.792 18.155 1.00 1.00 H new ATOM 0 HB3 ARG A 23 0.620 -10.462 16.436 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.421 -8.464 17.470 1.00 1.00 H new ATOM 0 HG3 ARG A 23 -0.211 -8.075 16.965 1.00 1.00 H new ATOM 0 HD2 ARG A 23 0.291 -7.220 19.263 1.00 1.00 H new ATOM 0 HD3 ARG A 23 -1.048 -8.351 19.270 1.00 1.00 H new ATOM 0 HE ARG A 23 0.599 -10.152 20.043 1.00 1.00 H new ATOM 0 HH11 ARG A 23 0.256 -7.818 22.046 1.00 1.00 H new ATOM 0 HH12 ARG A 23 1.933 -7.556 22.534 1.00 1.00 H new ATOM 0 HH21 ARG A 23 3.208 -9.390 19.794 1.00 1.00 H new ATOM 0 HH22 ARG A 23 3.636 -8.463 21.236 1.00 1.00 H new ATOM 368 N ARG A 24 -3.380 -11.028 18.569 1.00 1.00 N ATOM 369 CA ARG A 24 -4.143 -11.199 19.849 1.00 1.00 C ATOM 370 C ARG A 24 -4.094 -12.674 20.269 1.00 1.00 C ATOM 371 O ARG A 24 -5.081 -13.365 20.435 1.00 1.00 O ATOM 372 CB ARG A 24 -5.593 -10.707 19.598 1.00 1.00 C ATOM 373 CG ARG A 24 -5.670 -9.148 19.560 1.00 1.00 C ATOM 374 CD ARG A 24 -4.569 -8.526 18.672 1.00 1.00 C ATOM 375 NE ARG A 24 -4.858 -7.078 18.491 1.00 1.00 N ATOM 376 CZ ARG A 24 -5.013 -6.592 17.289 1.00 1.00 C ATOM 377 NH1 ARG A 24 -6.206 -6.578 16.763 1.00 1.00 N ATOM 378 NH2 ARG A 24 -3.967 -6.138 16.654 1.00 1.00 N ATOM 0 H ARG A 24 -3.931 -11.155 17.720 1.00 1.00 H new ATOM 0 HA ARG A 24 -3.711 -10.617 20.663 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -5.958 -11.113 18.655 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -6.248 -11.086 20.383 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -6.648 -8.844 19.188 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -5.579 -8.758 20.574 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -3.591 -8.660 19.134 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -4.536 -9.028 17.705 1.00 1.00 H new ATOM 0 HE ARG A 24 -4.935 -6.466 19.304 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -7.000 -6.943 17.289 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -6.345 -6.202 15.825 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -3.049 -6.167 17.098 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -4.068 -5.754 15.714 1.00 1.00 H new ATOM 392 N GLY A 25 -2.856 -13.062 20.414 1.00 1.00 N ATOM 393 CA GLY A 25 -2.407 -14.400 20.810 1.00 1.00 C ATOM 394 C GLY A 25 -1.187 -14.217 21.711 1.00 1.00 C ATOM 395 O GLY A 25 -0.888 -13.121 22.151 1.00 1.00 O ATOM 0 H GLY A 25 -2.075 -12.426 20.253 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -3.199 -14.931 21.338 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -2.152 -14.996 19.933 1.00 1.00 H new ATOM 399 N THR A 26 -0.516 -15.307 21.956 1.00 1.00 N ATOM 400 CA THR A 26 0.698 -15.284 22.813 1.00 1.00 C ATOM 401 C THR A 26 1.900 -14.978 21.903 1.00 1.00 C ATOM 402 O THR A 26 2.714 -14.127 22.207 1.00 1.00 O ATOM 403 CB THR A 26 0.824 -16.672 23.520 1.00 1.00 C ATOM 404 OG1 THR A 26 2.028 -16.581 24.273 1.00 1.00 O ATOM 405 CG2 THR A 26 1.031 -17.865 22.553 1.00 1.00 C ATOM 0 H THR A 26 -0.763 -16.227 21.592 1.00 1.00 H new ATOM 0 HA THR A 26 0.649 -14.520 23.589 1.00 1.00 H new ATOM 0 HB THR A 26 -0.093 -16.858 24.078 1.00 1.00 H new ATOM 0 HG1 THR A 26 2.178 -17.422 24.752 1.00 1.00 H new ATOM 0 HG21 THR A 26 1.108 -18.789 23.126 1.00 1.00 H new ATOM 0 HG22 THR A 26 0.184 -17.931 21.871 1.00 1.00 H new ATOM 0 HG23 THR A 26 1.947 -17.715 21.981 1.00 1.00 H new ATOM 413 N ASN A 27 1.959 -15.693 20.811 1.00 1.00 N ATOM 414 CA ASN A 27 3.054 -15.526 19.810 1.00 1.00 C ATOM 415 C ASN A 27 2.906 -14.188 19.058 1.00 1.00 C ATOM 416 O ASN A 27 1.950 -14.001 18.329 1.00 1.00 O ATOM 417 CB ASN A 27 3.002 -16.723 18.818 1.00 1.00 C ATOM 418 CG ASN A 27 1.596 -16.887 18.210 1.00 1.00 C ATOM 419 OD1 ASN A 27 0.637 -17.196 18.889 1.00 1.00 O ATOM 420 ND2 ASN A 27 1.429 -16.689 16.933 1.00 1.00 N ATOM 0 H ASN A 27 1.273 -16.407 20.564 1.00 1.00 H new ATOM 0 HA ASN A 27 4.018 -15.511 20.318 1.00 1.00 H new ATOM 0 HB2 ASN A 27 3.729 -16.569 18.021 1.00 1.00 H new ATOM 0 HB3 ASN A 27 3.286 -17.639 19.336 1.00 1.00 H new ATOM 0 HD21 ASN A 27 0.503 -16.794 16.517 1.00 1.00 H new ATOM 0 HD22 ASN A 27 2.224 -16.429 16.349 1.00 1.00 H new ATOM 427 N ILE A 28 3.855 -13.304 19.277 1.00 1.00 N ATOM 428 CA ILE A 28 3.874 -11.944 18.624 1.00 1.00 C ATOM 429 C ILE A 28 3.440 -11.961 17.158 1.00 1.00 C ATOM 430 O ILE A 28 2.914 -10.976 16.678 1.00 1.00 O ATOM 431 CB ILE A 28 5.291 -11.336 18.696 1.00 1.00 C ATOM 432 CG1 ILE A 28 5.692 -11.187 20.181 1.00 1.00 C ATOM 433 CG2 ILE A 28 5.301 -9.934 17.989 1.00 1.00 C ATOM 434 CD1 ILE A 28 7.128 -10.631 20.298 1.00 1.00 C ATOM 0 H ILE A 28 4.644 -13.472 19.901 1.00 1.00 H new ATOM 0 HA ILE A 28 3.154 -11.343 19.179 1.00 1.00 H new ATOM 0 HB ILE A 28 6.004 -11.987 18.189 1.00 1.00 H new ATOM 0 HG12 ILE A 28 4.995 -10.520 20.687 1.00 1.00 H new ATOM 0 HG13 ILE A 28 5.628 -12.154 20.680 1.00 1.00 H new ATOM 0 HG21 ILE A 28 6.303 -9.507 18.041 1.00 1.00 H new ATOM 0 HG22 ILE A 28 5.011 -10.051 16.945 1.00 1.00 H new ATOM 0 HG23 ILE A 28 4.597 -9.269 18.489 1.00 1.00 H new ATOM 0 HD11 ILE A 28 7.395 -10.532 21.350 1.00 1.00 H new ATOM 0 HD12 ILE A 28 7.823 -11.314 19.810 1.00 1.00 H new ATOM 0 HD13 ILE A 28 7.180 -9.654 19.817 1.00 1.00 H new ATOM 446 N GLU A 29 3.683 -13.078 16.514 1.00 1.00 N ATOM 447 CA GLU A 29 3.326 -13.266 15.075 1.00 1.00 C ATOM 448 C GLU A 29 1.986 -12.587 14.795 1.00 1.00 C ATOM 449 O GLU A 29 0.933 -13.038 15.204 1.00 1.00 O ATOM 450 CB GLU A 29 3.213 -14.755 14.769 1.00 1.00 C ATOM 451 CG GLU A 29 4.569 -15.456 14.933 1.00 1.00 C ATOM 452 CD GLU A 29 4.394 -16.941 14.566 1.00 1.00 C ATOM 453 OE1 GLU A 29 3.699 -17.613 15.313 1.00 1.00 O ATOM 454 OE2 GLU A 29 4.960 -17.323 13.555 1.00 1.00 O ATOM 0 H GLU A 29 4.128 -13.890 16.942 1.00 1.00 H new ATOM 0 HA GLU A 29 4.099 -12.824 14.446 1.00 1.00 H new ATOM 0 HB2 GLU A 29 2.481 -15.212 15.435 1.00 1.00 H new ATOM 0 HB3 GLU A 29 2.849 -14.894 13.751 1.00 1.00 H new ATOM 0 HG2 GLU A 29 5.317 -14.992 14.290 1.00 1.00 H new ATOM 0 HG3 GLU A 29 4.925 -15.358 15.958 1.00 1.00 H new ATOM 461 N LYS A 30 2.113 -11.497 14.090 1.00 1.00 N ATOM 462 CA LYS A 30 0.932 -10.683 13.718 1.00 1.00 C ATOM 463 C LYS A 30 0.507 -11.146 12.330 1.00 1.00 C ATOM 464 O LYS A 30 1.281 -11.093 11.402 1.00 1.00 O ATOM 465 CB LYS A 30 1.409 -9.267 13.780 1.00 1.00 C ATOM 466 CG LYS A 30 0.228 -8.382 14.065 1.00 1.00 C ATOM 467 CD LYS A 30 0.662 -7.035 14.546 1.00 1.00 C ATOM 468 CE LYS A 30 1.442 -6.301 13.504 1.00 1.00 C ATOM 469 NZ LYS A 30 1.752 -4.982 14.071 1.00 1.00 N ATOM 0 H LYS A 30 3.004 -11.133 13.752 1.00 1.00 H new ATOM 0 HA LYS A 30 0.059 -10.781 14.363 1.00 1.00 H new ATOM 0 HB2 LYS A 30 2.164 -9.155 14.558 1.00 1.00 H new ATOM 0 HB3 LYS A 30 1.878 -8.983 12.838 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -0.373 -8.272 13.162 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -0.408 -8.851 14.816 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -0.213 -6.449 14.825 1.00 1.00 H new ATOM 0 HD3 LYS A 30 1.270 -7.148 15.444 1.00 1.00 H new ATOM 0 HE2 LYS A 30 2.355 -6.840 13.251 1.00 1.00 H new ATOM 0 HE3 LYS A 30 0.865 -6.203 12.584 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 1.398 -4.239 13.435 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 1.296 -4.888 15.001 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 2.782 -4.884 14.179 1.00 1.00 H new ATOM 483 N ARG A 31 -0.717 -11.569 12.179 1.00 1.00 N ATOM 484 CA ARG A 31 -1.129 -12.041 10.830 1.00 1.00 C ATOM 485 C ARG A 31 -1.477 -10.818 10.046 1.00 1.00 C ATOM 486 O ARG A 31 -1.925 -9.869 10.647 1.00 1.00 O ATOM 487 CB ARG A 31 -2.352 -12.942 10.903 1.00 1.00 C ATOM 488 CG ARG A 31 -2.116 -14.177 11.780 1.00 1.00 C ATOM 489 CD ARG A 31 -0.776 -14.904 11.499 1.00 1.00 C ATOM 490 NE ARG A 31 -0.697 -16.079 12.417 1.00 1.00 N ATOM 491 CZ ARG A 31 0.238 -16.140 13.326 1.00 1.00 C ATOM 492 NH1 ARG A 31 0.029 -15.553 14.471 1.00 1.00 N ATOM 493 NH2 ARG A 31 1.344 -16.782 13.063 1.00 1.00 N ATOM 0 H ARG A 31 -1.430 -11.608 12.907 1.00 1.00 H new ATOM 0 HA ARG A 31 -0.324 -12.617 10.374 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -3.195 -12.375 11.298 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -2.626 -13.261 9.897 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -2.142 -13.876 12.827 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -2.937 -14.879 11.630 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -0.727 -15.227 10.459 1.00 1.00 H new ATOM 0 HD3 ARG A 31 0.066 -14.232 11.664 1.00 1.00 H new ATOM 0 HE ARG A 31 -1.375 -16.836 12.334 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -0.849 -15.061 14.639 1.00 1.00 H new ATOM 0 HH12 ARG A 31 0.743 -15.585 15.199 1.00 1.00 H new ATOM 0 HH21 ARG A 31 1.471 -17.229 12.155 1.00 1.00 H new ATOM 0 HH22 ARG A 31 2.082 -16.836 13.765 1.00 1.00 H new ATOM 507 N CYS A 32 -1.280 -10.928 8.759 1.00 1.00 N ATOM 508 CA CYS A 32 -1.534 -9.822 7.783 1.00 1.00 C ATOM 509 C CYS A 32 -2.869 -9.737 7.000 1.00 1.00 C ATOM 510 O CYS A 32 -2.957 -10.224 5.888 1.00 1.00 O ATOM 511 CB CYS A 32 -0.349 -9.886 6.804 1.00 1.00 C ATOM 512 SG CYS A 32 0.553 -8.393 6.322 1.00 1.00 S ATOM 0 H CYS A 32 -0.936 -11.783 8.322 1.00 1.00 H new ATOM 0 HA CYS A 32 -1.632 -8.922 8.390 1.00 1.00 H new ATOM 0 HB2 CYS A 32 0.380 -10.574 7.232 1.00 1.00 H new ATOM 0 HB3 CYS A 32 -0.719 -10.344 5.887 1.00 1.00 H new ATOM 517 N ARG A 33 -3.880 -9.130 7.575 1.00 1.00 N ATOM 518 CA ARG A 33 -5.186 -9.011 6.861 1.00 1.00 C ATOM 519 C ARG A 33 -5.578 -7.519 6.669 1.00 1.00 C ATOM 520 O ARG A 33 -4.691 -6.686 6.821 1.00 1.00 O ATOM 521 CB ARG A 33 -6.235 -9.798 7.676 1.00 1.00 C ATOM 522 CG ARG A 33 -6.328 -9.349 9.122 1.00 1.00 C ATOM 523 CD ARG A 33 -7.407 -10.176 9.805 1.00 1.00 C ATOM 524 NE ARG A 33 -7.344 -9.827 11.245 1.00 1.00 N ATOM 525 CZ ARG A 33 -8.371 -9.296 11.851 1.00 1.00 C ATOM 526 NH1 ARG A 33 -8.522 -8.001 11.811 1.00 1.00 N ATOM 527 NH2 ARG A 33 -9.210 -10.076 12.475 1.00 1.00 N ATOM 528 OXT ARG A 33 -6.736 -7.280 6.370 1.00 1.00 O ATOM 0 H ARG A 33 -3.855 -8.714 8.506 1.00 1.00 H new ATOM 0 HA ARG A 33 -5.121 -9.432 5.858 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -7.211 -9.686 7.204 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -5.987 -10.859 7.647 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -5.370 -9.483 9.625 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -6.570 -8.288 9.176 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -8.390 -9.951 9.392 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -7.235 -11.242 9.655 1.00 1.00 H new ATOM 0 HE ARG A 33 -6.487 -10.004 11.769 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -7.845 -7.424 11.313 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -9.318 -7.566 12.278 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -9.058 -11.085 12.484 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -10.018 -9.677 12.954 1.00 1.00 H new TER 542 ARG A 33