USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=9 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 Single : A 1 GLY N :NH3+ 171:sc= 0.348 (180deg=0.275) USER MOD Single : A 6 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-6.6!) USER MOD Single : A 8 LYS NZ :NH3+ -127:sc= -3.45 (180deg=-6.83!) USER MOD Single : A 11 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.0421) USER MOD Single : A 13 ASN : amide:sc= -5.7! K(o=-5.7!,f=-2) USER MOD Single : A 14 LYS NZ :NH3+ -144:sc= -0.287 (180deg=-0.676) USER MOD Single : A 18 SER OG : rot -33:sc= 0.318 USER MOD Single : A 19 LYS NZ :NH3+ -107:sc= -2.52! (180deg=-5.6!) USER MOD Single : A 20 LYS NZ :NH3+ 169:sc=-0.00765 (180deg=-0.202) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.8!) USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= 1.23 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.594 0.120 0.740 1.00 1.00 N ATOM 2 CA GLY A 1 1.698 -0.682 0.133 1.00 1.00 C ATOM 3 C GLY A 1 2.631 0.228 -0.639 1.00 1.00 C ATOM 4 O GLY A 1 2.942 0.031 -1.797 1.00 1.00 O ATOM 0 H1 GLY A 1 -0.123 -0.521 1.137 1.00 1.00 H new ATOM 0 H2 GLY A 1 0.978 0.722 1.496 1.00 1.00 H new ATOM 0 H3 GLY A 1 0.157 0.718 0.010 1.00 1.00 H new ATOM 0 HA2 GLY A 1 2.250 -1.206 0.913 1.00 1.00 H new ATOM 0 HA3 GLY A 1 1.285 -1.442 -0.531 1.00 1.00 H new ATOM 10 N ASP A 2 3.028 1.209 0.107 1.00 1.00 N ATOM 11 CA ASP A 2 3.945 2.279 -0.343 1.00 1.00 C ATOM 12 C ASP A 2 5.197 2.369 0.531 1.00 1.00 C ATOM 13 O ASP A 2 5.128 2.317 1.742 1.00 1.00 O ATOM 14 CB ASP A 2 3.136 3.592 -0.339 1.00 1.00 C ATOM 15 CG ASP A 2 2.202 3.664 0.890 1.00 1.00 C ATOM 16 OD1 ASP A 2 2.721 3.835 1.977 1.00 1.00 O ATOM 17 OD2 ASP A 2 1.009 3.534 0.672 1.00 1.00 O ATOM 0 H ASP A 2 2.731 1.317 1.077 1.00 1.00 H new ATOM 0 HA ASP A 2 4.317 2.066 -1.345 1.00 1.00 H new ATOM 0 HB2 ASP A 2 3.817 4.443 -0.333 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.546 3.663 -1.253 1.00 1.00 H new ATOM 22 N CYS A 3 6.321 2.520 -0.120 1.00 1.00 N ATOM 23 CA CYS A 3 7.614 2.610 0.617 1.00 1.00 C ATOM 24 C CYS A 3 7.818 3.952 1.318 1.00 1.00 C ATOM 25 O CYS A 3 8.552 4.811 0.866 1.00 1.00 O ATOM 26 CB CYS A 3 8.750 2.358 -0.376 1.00 1.00 C ATOM 27 SG CYS A 3 8.754 0.783 -1.266 1.00 1.00 S ATOM 0 H CYS A 3 6.398 2.585 -1.135 1.00 1.00 H new ATOM 0 HA CYS A 3 7.604 1.857 1.406 1.00 1.00 H new ATOM 0 HB2 CYS A 3 8.735 3.160 -1.114 1.00 1.00 H new ATOM 0 HB3 CYS A 3 9.693 2.440 0.165 1.00 1.00 H new ATOM 32 N LEU A 4 7.134 4.080 2.426 1.00 1.00 N ATOM 33 CA LEU A 4 7.241 5.341 3.225 1.00 1.00 C ATOM 34 C LEU A 4 8.656 5.390 3.844 1.00 1.00 C ATOM 35 O LEU A 4 9.209 4.348 4.140 1.00 1.00 O ATOM 36 CB LEU A 4 6.182 5.321 4.339 1.00 1.00 C ATOM 37 CG LEU A 4 4.759 5.239 3.748 1.00 1.00 C ATOM 38 CD1 LEU A 4 3.733 5.100 4.889 1.00 1.00 C ATOM 39 CD2 LEU A 4 4.420 6.509 2.930 1.00 1.00 C ATOM 0 H LEU A 4 6.509 3.372 2.811 1.00 1.00 H new ATOM 0 HA LEU A 4 7.076 6.216 2.597 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.356 4.469 4.996 1.00 1.00 H new ATOM 0 HB3 LEU A 4 6.275 6.219 4.950 1.00 1.00 H new ATOM 0 HG LEU A 4 4.718 4.372 3.089 1.00 1.00 H new ATOM 0 HD11 LEU A 4 2.728 5.042 4.470 1.00 1.00 H new ATOM 0 HD12 LEU A 4 3.942 4.194 5.458 1.00 1.00 H new ATOM 0 HD13 LEU A 4 3.802 5.966 5.548 1.00 1.00 H new ATOM 0 HD21 LEU A 4 3.411 6.423 2.526 1.00 1.00 H new ATOM 0 HD22 LEU A 4 4.478 7.385 3.577 1.00 1.00 H new ATOM 0 HD23 LEU A 4 5.131 6.615 2.111 1.00 1.00 H new ATOM 51 N PRO A 5 9.208 6.573 4.026 1.00 1.00 N ATOM 52 CA PRO A 5 10.604 6.747 4.529 1.00 1.00 C ATOM 53 C PRO A 5 10.763 6.150 5.935 1.00 1.00 C ATOM 54 O PRO A 5 11.037 4.976 6.095 1.00 1.00 O ATOM 55 CB PRO A 5 10.823 8.268 4.470 1.00 1.00 C ATOM 56 CG PRO A 5 9.388 8.832 4.648 1.00 1.00 C ATOM 57 CD PRO A 5 8.547 7.887 3.777 1.00 1.00 C ATOM 0 HA PRO A 5 11.354 6.220 3.940 1.00 1.00 H new ATOM 0 HB2 PRO A 5 11.493 8.611 5.259 1.00 1.00 H new ATOM 0 HB3 PRO A 5 11.264 8.576 3.522 1.00 1.00 H new ATOM 0 HG2 PRO A 5 9.071 8.812 5.691 1.00 1.00 H new ATOM 0 HG3 PRO A 5 9.314 9.866 4.312 1.00 1.00 H new ATOM 0 HD2 PRO A 5 7.499 7.880 4.075 1.00 1.00 H new ATOM 0 HD3 PRO A 5 8.577 8.167 2.724 1.00 1.00 H new ATOM 65 N HIS A 6 10.581 7.003 6.905 1.00 1.00 N ATOM 66 CA HIS A 6 10.692 6.589 8.335 1.00 1.00 C ATOM 67 C HIS A 6 9.500 5.697 8.718 1.00 1.00 C ATOM 68 O HIS A 6 8.555 5.558 7.967 1.00 1.00 O ATOM 69 CB HIS A 6 10.737 7.882 9.201 1.00 1.00 C ATOM 70 CG HIS A 6 10.742 7.557 10.707 1.00 1.00 C ATOM 71 ND1 HIS A 6 9.699 7.233 11.401 1.00 1.00 N ATOM 72 CD2 HIS A 6 11.777 7.525 11.625 1.00 1.00 C ATOM 73 CE1 HIS A 6 10.037 7.018 12.631 1.00 1.00 C ATOM 74 NE2 HIS A 6 11.322 7.188 12.816 1.00 1.00 N ATOM 0 H HIS A 6 10.356 7.988 6.765 1.00 1.00 H new ATOM 0 HA HIS A 6 11.598 6.007 8.503 1.00 1.00 H new ATOM 0 HB2 HIS A 6 11.628 8.458 8.950 1.00 1.00 H new ATOM 0 HB3 HIS A 6 9.876 8.508 8.966 1.00 1.00 H new ATOM 0 HD2 HIS A 6 12.810 7.745 11.398 1.00 1.00 H new ATOM 0 HE1 HIS A 6 9.345 6.733 13.409 1.00 1.00 H new ATOM 0 HE2 HIS A 6 11.850 7.084 13.682 1.00 1.00 H new ATOM 82 N LEU A 7 9.630 5.125 9.886 1.00 1.00 N ATOM 83 CA LEU A 7 8.622 4.217 10.508 1.00 1.00 C ATOM 84 C LEU A 7 7.423 5.098 10.925 1.00 1.00 C ATOM 85 O LEU A 7 7.154 5.284 12.097 1.00 1.00 O ATOM 86 CB LEU A 7 9.275 3.522 11.745 1.00 1.00 C ATOM 87 CG LEU A 7 10.794 3.270 11.591 1.00 1.00 C ATOM 88 CD1 LEU A 7 11.300 2.527 12.843 1.00 1.00 C ATOM 89 CD2 LEU A 7 11.116 2.438 10.331 1.00 1.00 C ATOM 0 H LEU A 7 10.454 5.263 10.471 1.00 1.00 H new ATOM 0 HA LEU A 7 8.285 3.439 9.823 1.00 1.00 H new ATOM 0 HB2 LEU A 7 9.106 4.139 12.628 1.00 1.00 H new ATOM 0 HB3 LEU A 7 8.774 2.570 11.921 1.00 1.00 H new ATOM 0 HG LEU A 7 11.293 4.233 11.484 1.00 1.00 H new ATOM 0 HD11 LEU A 7 12.370 2.342 12.749 1.00 1.00 H new ATOM 0 HD12 LEU A 7 11.113 3.136 13.728 1.00 1.00 H new ATOM 0 HD13 LEU A 7 10.775 1.577 12.939 1.00 1.00 H new ATOM 0 HD21 LEU A 7 12.193 2.285 10.262 1.00 1.00 H new ATOM 0 HD22 LEU A 7 10.615 1.472 10.395 1.00 1.00 H new ATOM 0 HD23 LEU A 7 10.767 2.969 9.445 1.00 1.00 H new ATOM 101 N LYS A 8 6.728 5.622 9.948 1.00 1.00 N ATOM 102 CA LYS A 8 5.554 6.496 10.218 1.00 1.00 C ATOM 103 C LYS A 8 4.379 5.712 10.790 1.00 1.00 C ATOM 104 O LYS A 8 4.335 4.497 10.720 1.00 1.00 O ATOM 105 CB LYS A 8 5.218 7.156 8.898 1.00 1.00 C ATOM 106 CG LYS A 8 6.386 8.117 8.560 1.00 1.00 C ATOM 107 CD LYS A 8 6.445 8.443 7.066 1.00 1.00 C ATOM 108 CE LYS A 8 5.183 9.155 6.572 1.00 1.00 C ATOM 109 NZ LYS A 8 3.994 8.256 6.542 1.00 1.00 N ATOM 0 H LYS A 8 6.931 5.477 8.959 1.00 1.00 H new ATOM 0 HA LYS A 8 5.783 7.242 10.979 1.00 1.00 H new ATOM 0 HB2 LYS A 8 5.094 6.409 8.114 1.00 1.00 H new ATOM 0 HB3 LYS A 8 4.277 7.702 8.969 1.00 1.00 H new ATOM 0 HG2 LYS A 8 6.272 9.040 9.128 1.00 1.00 H new ATOM 0 HG3 LYS A 8 7.328 7.666 8.870 1.00 1.00 H new ATOM 0 HD2 LYS A 8 7.314 9.071 6.868 1.00 1.00 H new ATOM 0 HD3 LYS A 8 6.583 7.521 6.501 1.00 1.00 H new ATOM 0 HE2 LYS A 8 4.974 10.007 7.219 1.00 1.00 H new ATOM 0 HE3 LYS A 8 5.361 9.550 5.572 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 3.559 8.287 5.598 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 4.290 7.282 6.755 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 3.303 8.571 7.252 1.00 1.00 H new ATOM 123 N LEU A 9 3.457 6.456 11.342 1.00 1.00 N ATOM 124 CA LEU A 9 2.258 5.878 11.951 1.00 1.00 C ATOM 125 C LEU A 9 1.253 5.280 10.979 1.00 1.00 C ATOM 126 O LEU A 9 0.922 5.862 9.963 1.00 1.00 O ATOM 127 CB LEU A 9 1.576 6.943 12.732 1.00 1.00 C ATOM 128 CG LEU A 9 2.522 7.734 13.667 1.00 1.00 C ATOM 129 CD1 LEU A 9 1.715 8.855 14.349 1.00 1.00 C ATOM 130 CD2 LEU A 9 3.101 6.807 14.748 1.00 1.00 C ATOM 0 H LEU A 9 3.502 7.474 11.389 1.00 1.00 H new ATOM 0 HA LEU A 9 2.606 5.047 12.564 1.00 1.00 H new ATOM 0 HB2 LEU A 9 1.098 7.638 12.041 1.00 1.00 H new ATOM 0 HB3 LEU A 9 0.784 6.492 13.329 1.00 1.00 H new ATOM 0 HG LEU A 9 3.341 8.151 13.082 1.00 1.00 H new ATOM 0 HD11 LEU A 9 2.368 9.422 15.012 1.00 1.00 H new ATOM 0 HD12 LEU A 9 1.303 9.520 13.590 1.00 1.00 H new ATOM 0 HD13 LEU A 9 0.902 8.417 14.928 1.00 1.00 H new ATOM 0 HD21 LEU A 9 3.765 7.377 15.399 1.00 1.00 H new ATOM 0 HD22 LEU A 9 2.288 6.385 15.339 1.00 1.00 H new ATOM 0 HD23 LEU A 9 3.661 6.001 14.274 1.00 1.00 H new ATOM 142 N CYS A 10 0.816 4.113 11.356 1.00 1.00 N ATOM 143 CA CYS A 10 -0.181 3.366 10.562 1.00 1.00 C ATOM 144 C CYS A 10 -1.068 2.491 11.471 1.00 1.00 C ATOM 145 O CYS A 10 -0.878 2.457 12.672 1.00 1.00 O ATOM 146 CB CYS A 10 0.515 2.460 9.518 1.00 1.00 C ATOM 147 SG CYS A 10 0.930 0.787 10.060 1.00 1.00 S ATOM 0 H CYS A 10 1.120 3.638 12.206 1.00 1.00 H new ATOM 0 HA CYS A 10 -0.804 4.099 10.049 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -0.132 2.386 8.644 1.00 1.00 H new ATOM 0 HB3 CYS A 10 1.432 2.952 9.195 1.00 1.00 H new ATOM 152 N LYS A 11 -2.011 1.814 10.857 1.00 1.00 N ATOM 153 CA LYS A 11 -2.953 0.912 11.595 1.00 1.00 C ATOM 154 C LYS A 11 -2.868 -0.522 11.031 1.00 1.00 C ATOM 155 O LYS A 11 -3.235 -1.463 11.708 1.00 1.00 O ATOM 156 CB LYS A 11 -4.379 1.553 11.509 1.00 1.00 C ATOM 157 CG LYS A 11 -4.959 1.793 10.089 1.00 1.00 C ATOM 158 CD LYS A 11 -5.261 0.483 9.338 1.00 1.00 C ATOM 159 CE LYS A 11 -5.968 -0.534 10.264 1.00 1.00 C ATOM 160 NZ LYS A 11 -7.273 0.009 10.729 1.00 1.00 N ATOM 0 H LYS A 11 -2.170 1.851 9.850 1.00 1.00 H new ATOM 0 HA LYS A 11 -2.691 0.817 12.649 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -5.072 0.912 12.054 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -4.352 2.510 12.030 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -5.874 2.379 10.170 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -4.252 2.385 9.508 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -5.890 0.692 8.473 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -4.333 0.053 8.961 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -6.126 -1.472 9.732 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -5.333 -0.757 11.122 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -7.962 -0.766 10.811 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -7.150 0.462 11.657 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -7.621 0.710 10.044 1.00 1.00 H new ATOM 174 N GLU A 12 -2.383 -0.646 9.818 1.00 1.00 N ATOM 175 CA GLU A 12 -2.238 -1.988 9.158 1.00 1.00 C ATOM 176 C GLU A 12 -0.817 -2.082 8.570 1.00 1.00 C ATOM 177 O GLU A 12 -0.256 -1.084 8.162 1.00 1.00 O ATOM 178 CB GLU A 12 -3.309 -2.108 8.051 1.00 1.00 C ATOM 179 CG GLU A 12 -3.242 -3.483 7.349 1.00 1.00 C ATOM 180 CD GLU A 12 -4.455 -3.631 6.404 1.00 1.00 C ATOM 181 OE1 GLU A 12 -5.553 -3.685 6.935 1.00 1.00 O ATOM 182 OE2 GLU A 12 -4.228 -3.680 5.206 1.00 1.00 O ATOM 0 H GLU A 12 -2.075 0.140 9.245 1.00 1.00 H new ATOM 0 HA GLU A 12 -2.381 -2.802 9.869 1.00 1.00 H new ATOM 0 HB2 GLU A 12 -4.299 -1.967 8.484 1.00 1.00 H new ATOM 0 HB3 GLU A 12 -3.166 -1.315 7.317 1.00 1.00 H new ATOM 0 HG2 GLU A 12 -2.314 -3.572 6.785 1.00 1.00 H new ATOM 0 HG3 GLU A 12 -3.243 -4.283 8.089 1.00 1.00 H new ATOM 189 N ASN A 13 -0.277 -3.276 8.537 1.00 1.00 N ATOM 190 CA ASN A 13 1.097 -3.493 7.987 1.00 1.00 C ATOM 191 C ASN A 13 1.175 -3.092 6.508 1.00 1.00 C ATOM 192 O ASN A 13 2.037 -2.333 6.095 1.00 1.00 O ATOM 193 CB ASN A 13 1.461 -4.974 8.163 1.00 1.00 C ATOM 194 CG ASN A 13 1.680 -5.257 9.655 1.00 1.00 C ATOM 195 OD1 ASN A 13 0.774 -5.176 10.462 1.00 1.00 O ATOM 196 ND2 ASN A 13 2.875 -5.588 10.060 1.00 1.00 N ATOM 0 H ASN A 13 -0.738 -4.122 8.873 1.00 1.00 H new ATOM 0 HA ASN A 13 1.805 -2.866 8.528 1.00 1.00 H new ATOM 0 HB2 ASN A 13 0.665 -5.607 7.772 1.00 1.00 H new ATOM 0 HB3 ASN A 13 2.363 -5.210 7.598 1.00 1.00 H new ATOM 0 HD21 ASN A 13 3.045 -5.777 11.048 1.00 1.00 H new ATOM 0 HD22 ASN A 13 3.640 -5.658 9.389 1.00 1.00 H new ATOM 203 N LYS A 14 0.227 -3.640 5.787 1.00 1.00 N ATOM 204 CA LYS A 14 0.055 -3.428 4.314 1.00 1.00 C ATOM 205 C LYS A 14 0.355 -1.968 3.944 1.00 1.00 C ATOM 206 O LYS A 14 0.877 -1.702 2.882 1.00 1.00 O ATOM 207 CB LYS A 14 -1.391 -3.823 3.984 1.00 1.00 C ATOM 208 CG LYS A 14 -1.640 -4.115 2.474 1.00 1.00 C ATOM 209 CD LYS A 14 -1.573 -2.869 1.547 1.00 1.00 C ATOM 210 CE LYS A 14 -2.378 -1.685 2.125 1.00 1.00 C ATOM 211 NZ LYS A 14 -3.732 -2.139 2.546 1.00 1.00 N ATOM 0 H LYS A 14 -0.475 -4.263 6.186 1.00 1.00 H new ATOM 0 HA LYS A 14 0.750 -4.035 3.734 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -1.656 -4.708 4.563 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -2.057 -3.022 4.303 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -0.904 -4.843 2.133 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -2.621 -4.578 2.365 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -0.533 -2.571 1.412 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -1.961 -3.127 0.562 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -1.849 -1.258 2.977 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -2.467 -0.897 1.377 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -4.426 -1.389 2.352 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -3.991 -2.996 2.016 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -3.726 -2.350 3.564 1.00 1.00 H new ATOM 225 N ASP A 15 0.016 -1.082 4.851 1.00 1.00 N ATOM 226 CA ASP A 15 0.229 0.389 4.671 1.00 1.00 C ATOM 227 C ASP A 15 1.548 0.725 3.972 1.00 1.00 C ATOM 228 O ASP A 15 1.580 1.604 3.133 1.00 1.00 O ATOM 229 CB ASP A 15 0.173 1.045 6.072 1.00 1.00 C ATOM 230 CG ASP A 15 0.384 2.573 6.001 1.00 1.00 C ATOM 231 OD1 ASP A 15 1.520 2.967 5.784 1.00 1.00 O ATOM 232 OD2 ASP A 15 -0.606 3.265 6.169 1.00 1.00 O ATOM 0 H ASP A 15 -0.416 -1.329 5.741 1.00 1.00 H new ATOM 0 HA ASP A 15 -0.554 0.777 4.020 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -0.791 0.833 6.534 1.00 1.00 H new ATOM 0 HB3 ASP A 15 0.937 0.602 6.711 1.00 1.00 H new ATOM 237 N CYS A 16 2.585 0.018 4.334 1.00 1.00 N ATOM 238 CA CYS A 16 3.917 0.269 3.711 1.00 1.00 C ATOM 239 C CYS A 16 4.255 -0.821 2.696 1.00 1.00 C ATOM 240 O CYS A 16 3.716 -1.904 2.785 1.00 1.00 O ATOM 241 CB CYS A 16 4.969 0.294 4.816 1.00 1.00 C ATOM 242 SG CYS A 16 5.445 1.949 5.377 1.00 1.00 S ATOM 0 H CYS A 16 2.567 -0.723 5.035 1.00 1.00 H new ATOM 0 HA CYS A 16 3.897 1.223 3.185 1.00 1.00 H new ATOM 0 HB2 CYS A 16 4.592 -0.269 5.670 1.00 1.00 H new ATOM 0 HB3 CYS A 16 5.860 -0.224 4.461 1.00 1.00 H new ATOM 247 N CYS A 17 5.128 -0.520 1.760 1.00 1.00 N ATOM 248 CA CYS A 17 5.526 -1.513 0.740 1.00 1.00 C ATOM 249 C CYS A 17 6.272 -2.638 1.469 1.00 1.00 C ATOM 250 O CYS A 17 6.201 -3.792 1.092 1.00 1.00 O ATOM 251 CB CYS A 17 6.426 -0.828 -0.264 1.00 1.00 C ATOM 252 SG CYS A 17 8.178 -0.573 0.115 1.00 1.00 S ATOM 0 H CYS A 17 5.581 0.389 1.669 1.00 1.00 H new ATOM 0 HA CYS A 17 4.668 -1.927 0.210 1.00 1.00 H new ATOM 0 HB2 CYS A 17 6.375 -1.402 -1.189 1.00 1.00 H new ATOM 0 HB3 CYS A 17 5.994 0.151 -0.472 1.00 1.00 H new ATOM 257 N SER A 18 6.974 -2.236 2.503 1.00 1.00 N ATOM 258 CA SER A 18 7.757 -3.170 3.345 1.00 1.00 C ATOM 259 C SER A 18 6.773 -4.039 4.163 1.00 1.00 C ATOM 260 O SER A 18 7.164 -4.997 4.801 1.00 1.00 O ATOM 261 CB SER A 18 8.660 -2.343 4.273 1.00 1.00 C ATOM 262 OG SER A 18 9.405 -3.312 4.997 1.00 1.00 O ATOM 0 H SER A 18 7.032 -1.262 2.800 1.00 1.00 H new ATOM 0 HA SER A 18 8.380 -3.825 2.736 1.00 1.00 H new ATOM 0 HB2 SER A 18 9.314 -1.682 3.705 1.00 1.00 H new ATOM 0 HB3 SER A 18 8.073 -1.713 4.941 1.00 1.00 H new ATOM 0 HG SER A 18 8.855 -4.111 5.135 1.00 1.00 H new ATOM 268 N LYS A 19 5.521 -3.647 4.093 1.00 1.00 N ATOM 269 CA LYS A 19 4.381 -4.309 4.785 1.00 1.00 C ATOM 270 C LYS A 19 4.687 -4.913 6.160 1.00 1.00 C ATOM 271 O LYS A 19 4.234 -5.996 6.481 1.00 1.00 O ATOM 272 CB LYS A 19 3.835 -5.396 3.840 1.00 1.00 C ATOM 273 CG LYS A 19 3.305 -4.738 2.547 1.00 1.00 C ATOM 274 CD LYS A 19 2.598 -5.748 1.633 1.00 1.00 C ATOM 275 CE LYS A 19 3.551 -6.859 1.139 1.00 1.00 C ATOM 276 NZ LYS A 19 3.880 -7.805 2.243 1.00 1.00 N ATOM 0 H LYS A 19 5.234 -2.837 3.543 1.00 1.00 H new ATOM 0 HA LYS A 19 3.652 -3.528 5.001 1.00 1.00 H new ATOM 0 HB2 LYS A 19 4.621 -6.112 3.600 1.00 1.00 H new ATOM 0 HB3 LYS A 19 3.036 -5.952 4.331 1.00 1.00 H new ATOM 0 HG2 LYS A 19 2.612 -3.937 2.806 1.00 1.00 H new ATOM 0 HG3 LYS A 19 4.134 -4.280 2.008 1.00 1.00 H new ATOM 0 HD2 LYS A 19 1.765 -6.200 2.171 1.00 1.00 H new ATOM 0 HD3 LYS A 19 2.177 -5.225 0.774 1.00 1.00 H new ATOM 0 HE2 LYS A 19 3.088 -7.402 0.315 1.00 1.00 H new ATOM 0 HE3 LYS A 19 4.467 -6.413 0.752 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 4.860 -7.647 2.555 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 3.233 -7.646 3.041 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 3.778 -8.783 1.904 1.00 1.00 H new ATOM 290 N LYS A 20 5.460 -4.192 6.936 1.00 1.00 N ATOM 291 CA LYS A 20 5.795 -4.696 8.291 1.00 1.00 C ATOM 292 C LYS A 20 5.716 -3.491 9.220 1.00 1.00 C ATOM 293 O LYS A 20 6.670 -3.072 9.839 1.00 1.00 O ATOM 294 CB LYS A 20 7.209 -5.368 8.202 1.00 1.00 C ATOM 295 CG LYS A 20 7.758 -5.801 9.588 1.00 1.00 C ATOM 296 CD LYS A 20 6.757 -6.697 10.374 1.00 1.00 C ATOM 297 CE LYS A 20 6.412 -7.985 9.596 1.00 1.00 C ATOM 298 NZ LYS A 20 7.644 -8.781 9.329 1.00 1.00 N ATOM 0 H LYS A 20 5.865 -3.289 6.688 1.00 1.00 H new ATOM 0 HA LYS A 20 5.119 -5.457 8.681 1.00 1.00 H new ATOM 0 HB2 LYS A 20 7.151 -6.240 7.551 1.00 1.00 H new ATOM 0 HB3 LYS A 20 7.909 -4.671 7.741 1.00 1.00 H new ATOM 0 HG2 LYS A 20 8.694 -6.342 9.451 1.00 1.00 H new ATOM 0 HG3 LYS A 20 7.986 -4.913 10.178 1.00 1.00 H new ATOM 0 HD2 LYS A 20 7.186 -6.960 11.341 1.00 1.00 H new ATOM 0 HD3 LYS A 20 5.844 -6.136 10.572 1.00 1.00 H new ATOM 0 HE2 LYS A 20 5.703 -8.583 10.168 1.00 1.00 H new ATOM 0 HE3 LYS A 20 5.927 -7.729 8.654 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 7.379 -9.722 8.975 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 8.224 -8.294 8.617 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 8.189 -8.883 10.209 1.00 1.00 H new ATOM 312 N CYS A 21 4.527 -2.954 9.288 1.00 1.00 N ATOM 313 CA CYS A 21 4.310 -1.769 10.163 1.00 1.00 C ATOM 314 C CYS A 21 3.675 -2.367 11.416 1.00 1.00 C ATOM 315 O CYS A 21 2.596 -2.921 11.343 1.00 1.00 O ATOM 316 CB CYS A 21 3.391 -0.770 9.434 1.00 1.00 C ATOM 317 SG CYS A 21 2.931 0.741 10.315 1.00 1.00 S ATOM 0 H CYS A 21 3.705 -3.282 8.780 1.00 1.00 H new ATOM 0 HA CYS A 21 5.211 -1.208 10.413 1.00 1.00 H new ATOM 0 HB2 CYS A 21 3.880 -0.481 8.504 1.00 1.00 H new ATOM 0 HB3 CYS A 21 2.474 -1.293 9.163 1.00 1.00 H new ATOM 322 N LYS A 22 4.372 -2.235 12.525 1.00 1.00 N ATOM 323 CA LYS A 22 3.853 -2.809 13.822 1.00 1.00 C ATOM 324 C LYS A 22 3.867 -1.949 15.096 1.00 1.00 C ATOM 325 O LYS A 22 4.606 -0.990 15.232 1.00 1.00 O ATOM 326 CB LYS A 22 4.641 -4.110 14.118 1.00 1.00 C ATOM 327 CG LYS A 22 4.292 -5.247 13.118 1.00 1.00 C ATOM 328 CD LYS A 22 2.791 -5.656 13.183 1.00 1.00 C ATOM 329 CE LYS A 22 2.372 -6.043 14.618 1.00 1.00 C ATOM 330 NZ LYS A 22 0.951 -6.489 14.622 1.00 1.00 N ATOM 0 H LYS A 22 5.272 -1.759 12.592 1.00 1.00 H new ATOM 0 HA LYS A 22 2.788 -2.933 13.623 1.00 1.00 H new ATOM 0 HB2 LYS A 22 5.710 -3.904 14.072 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.423 -4.442 15.133 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.534 -4.923 12.106 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.912 -6.118 13.331 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.172 -4.830 12.832 1.00 1.00 H new ATOM 0 HD3 LYS A 22 2.612 -6.496 12.512 1.00 1.00 H new ATOM 0 HE2 LYS A 22 3.015 -6.840 14.993 1.00 1.00 H new ATOM 0 HE3 LYS A 22 2.498 -5.191 15.286 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 0.671 -6.749 15.589 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 0.344 -5.716 14.282 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 0.844 -7.314 13.997 1.00 1.00 H new ATOM 344 N ARG A 23 2.993 -2.384 15.975 1.00 1.00 N ATOM 345 CA ARG A 23 2.768 -1.767 17.310 1.00 1.00 C ATOM 346 C ARG A 23 3.088 -2.824 18.373 1.00 1.00 C ATOM 347 O ARG A 23 2.735 -3.980 18.245 1.00 1.00 O ATOM 348 CB ARG A 23 1.270 -1.303 17.404 1.00 1.00 C ATOM 349 CG ARG A 23 0.801 -1.026 18.857 1.00 1.00 C ATOM 350 CD ARG A 23 1.687 -0.020 19.636 1.00 1.00 C ATOM 351 NE ARG A 23 2.197 1.054 18.726 1.00 1.00 N ATOM 352 CZ ARG A 23 3.467 1.388 18.731 1.00 1.00 C ATOM 353 NH1 ARG A 23 4.200 1.169 19.790 1.00 1.00 N ATOM 354 NH2 ARG A 23 3.983 1.941 17.669 1.00 1.00 N ATOM 0 H ARG A 23 2.395 -3.192 15.801 1.00 1.00 H new ATOM 0 HA ARG A 23 3.406 -0.897 17.465 1.00 1.00 H new ATOM 0 HB2 ARG A 23 1.139 -0.399 16.809 1.00 1.00 H new ATOM 0 HB3 ARG A 23 0.632 -2.069 16.964 1.00 1.00 H new ATOM 0 HG2 ARG A 23 -0.220 -0.646 18.830 1.00 1.00 H new ATOM 0 HG3 ARG A 23 0.776 -1.969 19.404 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.111 0.427 20.447 1.00 1.00 H new ATOM 0 HD3 ARG A 23 2.526 -0.545 20.093 1.00 1.00 H new ATOM 0 HE ARG A 23 1.552 1.531 18.096 1.00 1.00 H new ATOM 0 HH11 ARG A 23 3.786 0.737 20.616 1.00 1.00 H new ATOM 0 HH12 ARG A 23 5.186 1.430 19.790 1.00 1.00 H new ATOM 0 HH21 ARG A 23 3.402 2.109 16.848 1.00 1.00 H new ATOM 0 HH22 ARG A 23 4.968 2.205 17.659 1.00 1.00 H new ATOM 368 N ARG A 24 3.756 -2.355 19.390 1.00 1.00 N ATOM 369 CA ARG A 24 4.175 -3.193 20.546 1.00 1.00 C ATOM 370 C ARG A 24 3.658 -2.472 21.795 1.00 1.00 C ATOM 371 O ARG A 24 4.381 -2.104 22.702 1.00 1.00 O ATOM 372 CB ARG A 24 5.737 -3.334 20.526 1.00 1.00 C ATOM 373 CG ARG A 24 6.537 -1.996 20.355 1.00 1.00 C ATOM 374 CD ARG A 24 6.408 -1.363 18.935 1.00 1.00 C ATOM 375 NE ARG A 24 6.540 -2.434 17.896 1.00 1.00 N ATOM 376 CZ ARG A 24 7.488 -2.383 16.998 1.00 1.00 C ATOM 377 NH1 ARG A 24 8.733 -2.348 17.386 1.00 1.00 N ATOM 378 NH2 ARG A 24 7.158 -2.370 15.737 1.00 1.00 N ATOM 0 H ARG A 24 4.041 -1.379 19.468 1.00 1.00 H new ATOM 0 HA ARG A 24 3.771 -4.205 20.519 1.00 1.00 H new ATOM 0 HB2 ARG A 24 6.053 -3.809 21.455 1.00 1.00 H new ATOM 0 HB3 ARG A 24 6.013 -4.007 19.714 1.00 1.00 H new ATOM 0 HG2 ARG A 24 6.188 -1.277 21.096 1.00 1.00 H new ATOM 0 HG3 ARG A 24 7.590 -2.184 20.565 1.00 1.00 H new ATOM 0 HD2 ARG A 24 5.445 -0.861 18.835 1.00 1.00 H new ATOM 0 HD3 ARG A 24 7.179 -0.606 18.792 1.00 1.00 H new ATOM 0 HE ARG A 24 5.882 -3.213 17.889 1.00 1.00 H new ATOM 0 HH11 ARG A 24 8.958 -2.361 18.381 1.00 1.00 H new ATOM 0 HH12 ARG A 24 9.482 -2.308 16.695 1.00 1.00 H new ATOM 0 HH21 ARG A 24 6.175 -2.399 15.467 1.00 1.00 H new ATOM 0 HH22 ARG A 24 7.883 -2.330 15.021 1.00 1.00 H new ATOM 392 N GLY A 25 2.362 -2.312 21.750 1.00 1.00 N ATOM 393 CA GLY A 25 1.574 -1.645 22.812 1.00 1.00 C ATOM 394 C GLY A 25 0.083 -1.852 22.539 1.00 1.00 C ATOM 395 O GLY A 25 -0.300 -2.685 21.739 1.00 1.00 O ATOM 0 H GLY A 25 1.792 -2.639 20.970 1.00 1.00 H new ATOM 0 HA2 GLY A 25 1.837 -2.054 23.788 1.00 1.00 H new ATOM 0 HA3 GLY A 25 1.806 -0.580 22.839 1.00 1.00 H new ATOM 399 N THR A 26 -0.709 -1.073 23.225 1.00 1.00 N ATOM 400 CA THR A 26 -2.188 -1.142 23.080 1.00 1.00 C ATOM 401 C THR A 26 -2.651 -0.149 22.001 1.00 1.00 C ATOM 402 O THR A 26 -3.547 -0.452 21.237 1.00 1.00 O ATOM 403 CB THR A 26 -2.828 -0.831 24.467 1.00 1.00 C ATOM 404 OG1 THR A 26 -4.228 -0.957 24.247 1.00 1.00 O ATOM 405 CG2 THR A 26 -2.622 0.626 24.931 1.00 1.00 C ATOM 0 H THR A 26 -0.383 -0.376 23.895 1.00 1.00 H new ATOM 0 HA THR A 26 -2.503 -2.136 22.762 1.00 1.00 H new ATOM 0 HB THR A 26 -2.386 -1.490 25.214 1.00 1.00 H new ATOM 0 HG1 THR A 26 -4.708 -0.776 25.082 1.00 1.00 H new ATOM 0 HG21 THR A 26 -3.094 0.768 25.903 1.00 1.00 H new ATOM 0 HG22 THR A 26 -1.555 0.835 25.012 1.00 1.00 H new ATOM 0 HG23 THR A 26 -3.071 1.305 24.207 1.00 1.00 H new ATOM 413 N ASN A 27 -2.027 1.004 21.974 1.00 1.00 N ATOM 414 CA ASN A 27 -2.379 2.056 20.967 1.00 1.00 C ATOM 415 C ASN A 27 -1.889 1.529 19.606 1.00 1.00 C ATOM 416 O ASN A 27 -0.727 1.674 19.278 1.00 1.00 O ATOM 417 CB ASN A 27 -1.660 3.384 21.321 1.00 1.00 C ATOM 418 CG ASN A 27 -2.043 3.854 22.729 1.00 1.00 C ATOM 419 OD1 ASN A 27 -1.686 3.250 23.720 1.00 1.00 O ATOM 420 ND2 ASN A 27 -2.769 4.929 22.859 1.00 1.00 N ATOM 0 H ASN A 27 -1.278 1.265 22.616 1.00 1.00 H new ATOM 0 HA ASN A 27 -3.451 2.254 20.950 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -0.581 3.245 21.260 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -1.924 4.151 20.593 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -3.033 5.257 23.788 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -3.073 5.442 22.032 1.00 1.00 H new ATOM 427 N ILE A 28 -2.794 0.933 18.864 1.00 1.00 N ATOM 428 CA ILE A 28 -2.464 0.358 17.515 1.00 1.00 C ATOM 429 C ILE A 28 -1.509 1.167 16.673 1.00 1.00 C ATOM 430 O ILE A 28 -0.720 0.544 15.997 1.00 1.00 O ATOM 431 CB ILE A 28 -3.741 0.153 16.685 1.00 1.00 C ATOM 432 CG1 ILE A 28 -4.647 -0.871 17.390 1.00 1.00 C ATOM 433 CG2 ILE A 28 -3.362 -0.335 15.235 1.00 1.00 C ATOM 434 CD1 ILE A 28 -4.031 -2.274 17.375 1.00 1.00 C ATOM 0 H ILE A 28 -3.769 0.818 19.142 1.00 1.00 H new ATOM 0 HA ILE A 28 -1.965 -0.581 17.755 1.00 1.00 H new ATOM 0 HB ILE A 28 -4.281 1.096 16.597 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -4.817 -0.559 18.420 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -5.620 -0.895 16.900 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -4.271 -0.479 14.650 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -2.734 0.414 14.752 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -2.819 -1.278 15.299 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -4.699 -2.970 17.882 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -3.885 -2.596 16.344 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -3.070 -2.255 17.888 1.00 1.00 H new ATOM 446 N GLU A 29 -1.614 2.471 16.737 1.00 1.00 N ATOM 447 CA GLU A 29 -0.729 3.401 15.958 1.00 1.00 C ATOM 448 C GLU A 29 0.692 2.814 15.931 1.00 1.00 C ATOM 449 O GLU A 29 1.530 3.091 16.766 1.00 1.00 O ATOM 450 CB GLU A 29 -0.763 4.779 16.658 1.00 1.00 C ATOM 451 CG GLU A 29 -0.687 4.570 18.196 1.00 1.00 C ATOM 452 CD GLU A 29 -0.511 5.915 18.919 1.00 1.00 C ATOM 453 OE1 GLU A 29 -1.436 6.707 18.837 1.00 1.00 O ATOM 454 OE2 GLU A 29 0.542 6.073 19.514 1.00 1.00 O ATOM 0 H GLU A 29 -2.302 2.949 17.319 1.00 1.00 H new ATOM 0 HA GLU A 29 -1.067 3.519 14.928 1.00 1.00 H new ATOM 0 HB2 GLU A 29 0.072 5.393 16.320 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -1.677 5.312 16.396 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -1.595 4.079 18.547 1.00 1.00 H new ATOM 0 HG3 GLU A 29 0.146 3.910 18.438 1.00 1.00 H new ATOM 461 N LYS A 30 0.882 2.003 14.922 1.00 1.00 N ATOM 462 CA LYS A 30 2.176 1.309 14.712 1.00 1.00 C ATOM 463 C LYS A 30 3.126 2.085 13.835 1.00 1.00 C ATOM 464 O LYS A 30 2.740 3.063 13.228 1.00 1.00 O ATOM 465 CB LYS A 30 1.901 -0.063 14.080 1.00 1.00 C ATOM 466 CG LYS A 30 1.095 0.000 12.804 1.00 1.00 C ATOM 467 CD LYS A 30 -0.338 -0.475 13.002 1.00 1.00 C ATOM 468 CE LYS A 30 -0.436 -1.980 13.340 1.00 1.00 C ATOM 469 NZ LYS A 30 0.022 -2.799 12.182 1.00 1.00 N ATOM 0 H LYS A 30 0.172 1.792 14.221 1.00 1.00 H new ATOM 0 HA LYS A 30 2.657 1.207 15.685 1.00 1.00 H new ATOM 0 HB2 LYS A 30 2.852 -0.554 13.873 1.00 1.00 H new ATOM 0 HB3 LYS A 30 1.372 -0.685 14.802 1.00 1.00 H new ATOM 0 HG2 LYS A 30 1.088 1.024 12.432 1.00 1.00 H new ATOM 0 HG3 LYS A 30 1.577 -0.613 12.042 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -0.798 0.102 13.804 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -0.910 -0.274 12.096 1.00 1.00 H new ATOM 0 HE2 LYS A 30 0.173 -2.204 14.216 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -1.465 -2.237 13.592 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -0.392 -3.751 12.244 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -0.281 -2.347 11.296 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 1.059 -2.871 12.197 1.00 1.00 H new ATOM 483 N ARG A 31 4.340 1.595 13.798 1.00 1.00 N ATOM 484 CA ARG A 31 5.395 2.241 12.990 1.00 1.00 C ATOM 485 C ARG A 31 5.608 1.368 11.762 1.00 1.00 C ATOM 486 O ARG A 31 5.407 0.172 11.847 1.00 1.00 O ATOM 487 CB ARG A 31 6.715 2.307 13.775 1.00 1.00 C ATOM 488 CG ARG A 31 6.560 2.906 15.172 1.00 1.00 C ATOM 489 CD ARG A 31 6.262 4.404 15.099 1.00 1.00 C ATOM 490 NE ARG A 31 6.056 4.869 16.505 1.00 1.00 N ATOM 491 CZ ARG A 31 4.889 5.301 16.902 1.00 1.00 C ATOM 492 NH1 ARG A 31 3.830 4.574 16.674 1.00 1.00 N ATOM 493 NH2 ARG A 31 4.820 6.449 17.516 1.00 1.00 N ATOM 0 H ARG A 31 4.640 0.762 14.304 1.00 1.00 H new ATOM 0 HA ARG A 31 5.097 3.256 12.727 1.00 1.00 H new ATOM 0 HB2 ARG A 31 7.128 1.302 13.862 1.00 1.00 H new ATOM 0 HB3 ARG A 31 7.435 2.900 13.211 1.00 1.00 H new ATOM 0 HG2 ARG A 31 5.755 2.397 15.702 1.00 1.00 H new ATOM 0 HG3 ARG A 31 7.472 2.741 15.745 1.00 1.00 H new ATOM 0 HD2 ARG A 31 7.087 4.941 14.631 1.00 1.00 H new ATOM 0 HD3 ARG A 31 5.375 4.593 14.495 1.00 1.00 H new ATOM 0 HE ARG A 31 6.836 4.849 17.162 1.00 1.00 H new ATOM 0 HH11 ARG A 31 3.919 3.680 16.191 1.00 1.00 H new ATOM 0 HH12 ARG A 31 2.913 4.900 16.979 1.00 1.00 H new ATOM 0 HH21 ARG A 31 5.668 6.992 17.678 1.00 1.00 H new ATOM 0 HH22 ARG A 31 3.918 6.804 17.834 1.00 1.00 H new ATOM 507 N CYS A 32 6.026 2.017 10.702 1.00 1.00 N ATOM 508 CA CYS A 32 6.292 1.366 9.378 1.00 1.00 C ATOM 509 C CYS A 32 7.678 0.723 9.203 1.00 1.00 C ATOM 510 O CYS A 32 8.646 1.392 8.900 1.00 1.00 O ATOM 511 CB CYS A 32 6.073 2.439 8.281 1.00 1.00 C ATOM 512 SG CYS A 32 4.631 2.295 7.194 1.00 1.00 S ATOM 0 H CYS A 32 6.202 3.022 10.702 1.00 1.00 H new ATOM 0 HA CYS A 32 5.601 0.526 9.305 1.00 1.00 H new ATOM 0 HB2 CYS A 32 6.018 3.409 8.775 1.00 1.00 H new ATOM 0 HB3 CYS A 32 6.962 2.452 7.650 1.00 1.00 H new ATOM 517 N ARG A 33 7.728 -0.571 9.401 1.00 1.00 N ATOM 518 CA ARG A 33 9.010 -1.324 9.259 1.00 1.00 C ATOM 519 C ARG A 33 8.873 -2.373 8.122 1.00 1.00 C ATOM 520 O ARG A 33 7.831 -2.395 7.469 1.00 1.00 O ATOM 521 CB ARG A 33 9.305 -1.974 10.636 1.00 1.00 C ATOM 522 CG ARG A 33 9.570 -0.862 11.679 1.00 1.00 C ATOM 523 CD ARG A 33 9.356 -1.403 13.100 1.00 1.00 C ATOM 524 NE ARG A 33 10.194 -2.623 13.304 1.00 1.00 N ATOM 525 CZ ARG A 33 9.620 -3.758 13.600 1.00 1.00 C ATOM 526 NH1 ARG A 33 9.409 -4.049 14.853 1.00 1.00 N ATOM 527 NH2 ARG A 33 9.274 -4.563 12.632 1.00 1.00 N ATOM 528 OXT ARG A 33 9.837 -3.104 7.962 1.00 1.00 O ATOM 0 H ARG A 33 6.924 -1.144 9.658 1.00 1.00 H new ATOM 0 HA ARG A 33 9.841 -0.675 8.983 1.00 1.00 H new ATOM 0 HB2 ARG A 33 8.461 -2.589 10.949 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.170 -2.633 10.562 1.00 1.00 H new ATOM 0 HG2 ARG A 33 10.589 -0.490 11.574 1.00 1.00 H new ATOM 0 HG3 ARG A 33 8.903 -0.019 11.499 1.00 1.00 H new ATOM 0 HD2 ARG A 33 9.620 -0.641 13.833 1.00 1.00 H new ATOM 0 HD3 ARG A 33 8.304 -1.642 13.254 1.00 1.00 H new ATOM 0 HE ARG A 33 11.208 -2.570 13.213 1.00 1.00 H new ATOM 0 HH11 ARG A 33 9.691 -3.395 15.583 1.00 1.00 H new ATOM 0 HH12 ARG A 33 8.962 -4.931 15.103 1.00 1.00 H new ATOM 0 HH21 ARG A 33 9.453 -4.301 11.663 1.00 1.00 H new ATOM 0 HH22 ARG A 33 8.825 -5.454 12.845 1.00 1.00 H new TER 542 ARG A 33