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+ -123:sc= 0.104 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.671 X(o=-0.67,f=-0.41) USER MOD Single : A 8 LYS NZ :NH3+ 167:sc= -1.74 (180deg=-2.02!) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc=-0.00797 (180deg=-0.132) USER MOD Single : A 13 ASN : amide:sc= -1.55 K(o=-1.6,f=-3.3!) USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= -0.077 (180deg=-0.689) USER MOD Single : A 18 SER OG : rot -32:sc= 0.518 USER MOD Single : A 19 LYS NZ :NH3+ -145:sc= -0.154 (180deg=-0.595) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= -4.41! (180deg=-5.08!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 0.281 (180deg=0.168) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.283 -0.136 -0.476 1.00 1.00 N ATOM 2 CA GLY A 1 2.309 -0.057 -1.555 1.00 1.00 C ATOM 3 C GLY A 1 3.692 -0.457 -1.047 1.00 1.00 C ATOM 4 O GLY A 1 3.858 -0.784 0.112 1.00 1.00 O ATOM 0 H1 GLY A 1 0.517 -0.775 -0.771 1.00 1.00 H new ATOM 0 H2 GLY A 1 1.722 -0.500 0.394 1.00 1.00 H new ATOM 0 H3 GLY A 1 0.893 0.812 -0.297 1.00 1.00 H new ATOM 0 HA2 GLY A 1 2.021 -0.709 -2.380 1.00 1.00 H new ATOM 0 HA3 GLY A 1 2.345 0.959 -1.949 1.00 1.00 H new ATOM 10 N ASP A 2 4.644 -0.414 -1.947 1.00 1.00 N ATOM 11 CA ASP A 2 6.039 -0.769 -1.616 1.00 1.00 C ATOM 12 C ASP A 2 6.900 0.441 -1.911 1.00 1.00 C ATOM 13 O ASP A 2 6.658 1.140 -2.869 1.00 1.00 O ATOM 14 CB ASP A 2 6.501 -1.949 -2.472 1.00 1.00 C ATOM 15 CG ASP A 2 6.906 -1.561 -3.913 1.00 1.00 C ATOM 16 OD1 ASP A 2 6.058 -1.069 -4.638 1.00 1.00 O ATOM 17 OD2 ASP A 2 8.069 -1.784 -4.202 1.00 1.00 O ATOM 0 H ASP A 2 4.498 -0.139 -2.918 1.00 1.00 H new ATOM 0 HA ASP A 2 6.118 -1.056 -0.567 1.00 1.00 H new ATOM 0 HB2 ASP A 2 7.350 -2.428 -1.984 1.00 1.00 H new ATOM 0 HB3 ASP A 2 5.700 -2.687 -2.517 1.00 1.00 H new ATOM 22 N CYS A 3 7.897 0.651 -1.106 1.00 1.00 N ATOM 23 CA CYS A 3 8.775 1.827 -1.332 1.00 1.00 C ATOM 24 C CYS A 3 9.854 1.455 -2.343 1.00 1.00 C ATOM 25 O CYS A 3 11.027 1.390 -2.025 1.00 1.00 O ATOM 26 CB CYS A 3 9.335 2.205 0.037 1.00 1.00 C ATOM 27 SG CYS A 3 8.130 2.597 1.334 1.00 1.00 S ATOM 0 H CYS A 3 8.142 0.066 -0.307 1.00 1.00 H new ATOM 0 HA CYS A 3 8.249 2.685 -1.752 1.00 1.00 H new ATOM 0 HB2 CYS A 3 9.957 1.382 0.389 1.00 1.00 H new ATOM 0 HB3 CYS A 3 9.990 3.067 -0.090 1.00 1.00 H new ATOM 32 N LEU A 4 9.398 1.218 -3.555 1.00 1.00 N ATOM 33 CA LEU A 4 10.369 0.843 -4.635 1.00 1.00 C ATOM 34 C LEU A 4 11.455 1.939 -4.830 1.00 1.00 C ATOM 35 O LEU A 4 11.217 3.090 -4.519 1.00 1.00 O ATOM 36 CB LEU A 4 9.560 0.607 -5.953 1.00 1.00 C ATOM 37 CG LEU A 4 8.909 1.869 -6.610 1.00 1.00 C ATOM 38 CD1 LEU A 4 8.276 2.859 -5.595 1.00 1.00 C ATOM 39 CD2 LEU A 4 9.880 2.575 -7.556 1.00 1.00 C ATOM 0 H LEU A 4 8.419 1.267 -3.837 1.00 1.00 H new ATOM 0 HA LEU A 4 10.897 -0.068 -4.354 1.00 1.00 H new ATOM 0 HB2 LEU A 4 10.225 0.147 -6.684 1.00 1.00 H new ATOM 0 HB3 LEU A 4 8.770 -0.114 -5.743 1.00 1.00 H new ATOM 0 HG LEU A 4 8.074 1.489 -7.199 1.00 1.00 H new ATOM 0 HD11 LEU A 4 7.847 3.705 -6.131 1.00 1.00 H new ATOM 0 HD12 LEU A 4 7.493 2.352 -5.032 1.00 1.00 H new ATOM 0 HD13 LEU A 4 9.043 3.216 -4.908 1.00 1.00 H new ATOM 0 HD21 LEU A 4 9.393 3.446 -7.993 1.00 1.00 H new ATOM 0 HD22 LEU A 4 10.762 2.893 -7.001 1.00 1.00 H new ATOM 0 HD23 LEU A 4 10.178 1.890 -8.349 1.00 1.00 H new ATOM 51 N PRO A 5 12.616 1.574 -5.327 1.00 1.00 N ATOM 52 CA PRO A 5 13.651 2.560 -5.757 1.00 1.00 C ATOM 53 C PRO A 5 13.300 3.248 -7.095 1.00 1.00 C ATOM 54 O PRO A 5 12.577 4.225 -7.130 1.00 1.00 O ATOM 55 CB PRO A 5 14.928 1.716 -5.808 1.00 1.00 C ATOM 56 CG PRO A 5 14.403 0.328 -6.274 1.00 1.00 C ATOM 57 CD PRO A 5 13.072 0.165 -5.506 1.00 1.00 C ATOM 0 HA PRO A 5 13.747 3.409 -5.080 1.00 1.00 H new ATOM 0 HB2 PRO A 5 15.658 2.128 -6.505 1.00 1.00 H new ATOM 0 HB3 PRO A 5 15.415 1.659 -4.834 1.00 1.00 H new ATOM 0 HG2 PRO A 5 14.249 0.299 -7.353 1.00 1.00 H new ATOM 0 HG3 PRO A 5 15.106 -0.469 -6.031 1.00 1.00 H new ATOM 0 HD2 PRO A 5 12.350 -0.425 -6.070 1.00 1.00 H new ATOM 0 HD3 PRO A 5 13.216 -0.338 -4.550 1.00 1.00 H new ATOM 65 N HIS A 6 13.848 2.702 -8.146 1.00 1.00 N ATOM 66 CA HIS A 6 13.630 3.217 -9.533 1.00 1.00 C ATOM 67 C HIS A 6 12.218 2.958 -10.103 1.00 1.00 C ATOM 68 O HIS A 6 11.766 1.835 -10.066 1.00 1.00 O ATOM 69 CB HIS A 6 14.678 2.562 -10.448 1.00 1.00 C ATOM 70 CG HIS A 6 14.515 3.054 -11.892 1.00 1.00 C ATOM 71 ND1 HIS A 6 14.899 4.204 -12.339 1.00 1.00 N ATOM 72 CD2 HIS A 6 13.952 2.430 -12.992 1.00 1.00 C ATOM 73 CE1 HIS A 6 14.609 4.300 -13.598 1.00 1.00 C ATOM 74 NE2 HIS A 6 14.019 3.219 -14.046 1.00 1.00 N ATOM 0 H HIS A 6 14.462 1.889 -8.100 1.00 1.00 H new ATOM 0 HA HIS A 6 13.730 4.302 -9.491 1.00 1.00 H new ATOM 0 HB2 HIS A 6 15.680 2.797 -10.089 1.00 1.00 H new ATOM 0 HB3 HIS A 6 14.573 1.478 -10.413 1.00 1.00 H new ATOM 0 HD2 HIS A 6 13.520 1.440 -12.987 1.00 1.00 H new ATOM 0 HE1 HIS A 6 14.827 5.166 -14.205 1.00 1.00 H new ATOM 0 HE2 HIS A 6 13.688 3.031 -14.992 1.00 1.00 H new ATOM 82 N LEU A 7 11.610 4.012 -10.593 1.00 1.00 N ATOM 83 CA LEU A 7 10.252 4.080 -11.226 1.00 1.00 C ATOM 84 C LEU A 7 9.879 2.894 -12.133 1.00 1.00 C ATOM 85 O LEU A 7 9.760 3.011 -13.338 1.00 1.00 O ATOM 86 CB LEU A 7 10.202 5.420 -12.014 1.00 1.00 C ATOM 87 CG LEU A 7 11.423 5.559 -12.997 1.00 1.00 C ATOM 88 CD1 LEU A 7 10.982 6.247 -14.302 1.00 1.00 C ATOM 89 CD2 LEU A 7 12.511 6.469 -12.362 1.00 1.00 C ATOM 0 H LEU A 7 12.058 4.928 -10.573 1.00 1.00 H new ATOM 0 HA LEU A 7 9.508 4.026 -10.431 1.00 1.00 H new ATOM 0 HB2 LEU A 7 9.271 5.476 -12.579 1.00 1.00 H new ATOM 0 HB3 LEU A 7 10.201 6.255 -11.313 1.00 1.00 H new ATOM 0 HG LEU A 7 11.807 4.558 -13.194 1.00 1.00 H new ATOM 0 HD11 LEU A 7 11.836 6.337 -14.973 1.00 1.00 H new ATOM 0 HD12 LEU A 7 10.205 5.653 -14.782 1.00 1.00 H new ATOM 0 HD13 LEU A 7 10.592 7.240 -14.076 1.00 1.00 H new ATOM 0 HD21 LEU A 7 13.354 6.561 -13.047 1.00 1.00 H new ATOM 0 HD22 LEU A 7 12.092 7.456 -12.168 1.00 1.00 H new ATOM 0 HD23 LEU A 7 12.852 6.029 -11.425 1.00 1.00 H new ATOM 101 N LYS A 8 9.708 1.773 -11.488 1.00 1.00 N ATOM 102 CA LYS A 8 9.338 0.511 -12.195 1.00 1.00 C ATOM 103 C LYS A 8 7.904 0.584 -12.695 1.00 1.00 C ATOM 104 O LYS A 8 7.153 1.471 -12.329 1.00 1.00 O ATOM 105 CB LYS A 8 9.492 -0.666 -11.232 1.00 1.00 C ATOM 106 CG LYS A 8 10.973 -1.104 -11.223 1.00 1.00 C ATOM 107 CD LYS A 8 11.211 -2.141 -10.117 1.00 1.00 C ATOM 108 CE LYS A 8 11.093 -1.477 -8.736 1.00 1.00 C ATOM 109 NZ LYS A 8 12.134 -0.424 -8.579 1.00 1.00 N ATOM 0 H LYS A 8 9.811 1.676 -10.478 1.00 1.00 H new ATOM 0 HA LYS A 8 9.996 0.375 -13.053 1.00 1.00 H new ATOM 0 HB2 LYS A 8 9.176 -0.378 -10.229 1.00 1.00 H new ATOM 0 HB3 LYS A 8 8.854 -1.494 -11.541 1.00 1.00 H new ATOM 0 HG2 LYS A 8 11.241 -1.526 -12.192 1.00 1.00 H new ATOM 0 HG3 LYS A 8 11.615 -0.238 -11.064 1.00 1.00 H new ATOM 0 HD2 LYS A 8 10.485 -2.950 -10.204 1.00 1.00 H new ATOM 0 HD3 LYS A 8 12.199 -2.586 -10.232 1.00 1.00 H new ATOM 0 HE2 LYS A 8 10.102 -1.039 -8.619 1.00 1.00 H new ATOM 0 HE3 LYS A 8 11.204 -2.227 -7.953 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 11.913 0.161 -7.748 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 13.064 -0.872 -8.450 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 12.153 0.175 -9.429 1.00 1.00 H new ATOM 123 N LEU A 9 7.581 -0.374 -13.522 1.00 1.00 N ATOM 124 CA LEU A 9 6.245 -0.472 -14.110 1.00 1.00 C ATOM 125 C LEU A 9 5.172 -0.691 -13.034 1.00 1.00 C ATOM 126 O LEU A 9 5.465 -1.122 -11.934 1.00 1.00 O ATOM 127 CB LEU A 9 6.284 -1.629 -15.105 1.00 1.00 C ATOM 128 CG LEU A 9 6.657 -3.010 -14.455 1.00 1.00 C ATOM 129 CD1 LEU A 9 5.900 -4.127 -15.208 1.00 1.00 C ATOM 130 CD2 LEU A 9 8.173 -3.319 -14.611 1.00 1.00 C ATOM 0 H LEU A 9 8.223 -1.111 -13.814 1.00 1.00 H new ATOM 0 HA LEU A 9 5.978 0.457 -14.613 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.310 -1.715 -15.586 1.00 1.00 H new ATOM 0 HB3 LEU A 9 7.007 -1.399 -15.888 1.00 1.00 H new ATOM 0 HG LEU A 9 6.396 -2.965 -13.398 1.00 1.00 H new ATOM 0 HD11 LEU A 9 6.148 -5.094 -14.769 1.00 1.00 H new ATOM 0 HD12 LEU A 9 4.826 -3.957 -15.128 1.00 1.00 H new ATOM 0 HD13 LEU A 9 6.191 -4.120 -16.258 1.00 1.00 H new ATOM 0 HD21 LEU A 9 8.397 -4.281 -14.151 1.00 1.00 H new ATOM 0 HD22 LEU A 9 8.430 -3.354 -15.670 1.00 1.00 H new ATOM 0 HD23 LEU A 9 8.756 -2.538 -14.122 1.00 1.00 H new ATOM 142 N CYS A 10 3.958 -0.379 -13.400 1.00 1.00 N ATOM 143 CA CYS A 10 2.808 -0.533 -12.482 1.00 1.00 C ATOM 144 C CYS A 10 1.490 -0.392 -13.256 1.00 1.00 C ATOM 145 O CYS A 10 1.464 -0.033 -14.423 1.00 1.00 O ATOM 146 CB CYS A 10 2.870 0.548 -11.345 1.00 1.00 C ATOM 147 SG CYS A 10 1.582 1.821 -11.325 1.00 1.00 S ATOM 0 H CYS A 10 3.716 -0.015 -14.322 1.00 1.00 H new ATOM 0 HA CYS A 10 2.855 -1.525 -12.033 1.00 1.00 H new ATOM 0 HB2 CYS A 10 2.844 0.029 -10.387 1.00 1.00 H new ATOM 0 HB3 CYS A 10 3.836 1.049 -11.410 1.00 1.00 H new ATOM 152 N LYS A 11 0.447 -0.691 -12.525 1.00 1.00 N ATOM 153 CA LYS A 11 -0.957 -0.639 -13.030 1.00 1.00 C ATOM 154 C LYS A 11 -1.742 0.368 -12.178 1.00 1.00 C ATOM 155 O LYS A 11 -2.534 1.138 -12.684 1.00 1.00 O ATOM 156 CB LYS A 11 -1.548 -2.028 -12.918 1.00 1.00 C ATOM 157 CG LYS A 11 -2.991 -2.120 -13.487 1.00 1.00 C ATOM 158 CD LYS A 11 -3.049 -1.729 -14.987 1.00 1.00 C ATOM 159 CE LYS A 11 -2.094 -2.595 -15.834 1.00 1.00 C ATOM 160 NZ LYS A 11 -2.455 -4.037 -15.721 1.00 1.00 N ATOM 0 H LYS A 11 0.518 -0.983 -11.550 1.00 1.00 H new ATOM 0 HA LYS A 11 -0.999 -0.320 -14.071 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -0.908 -2.733 -13.449 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -1.556 -2.330 -11.871 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -3.366 -3.136 -13.362 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -3.649 -1.465 -12.916 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -4.069 -1.844 -15.355 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -2.786 -0.677 -15.100 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -2.141 -2.283 -16.877 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -1.067 -2.444 -15.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -1.905 -4.588 -16.411 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -2.243 -4.374 -14.760 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -3.470 -4.157 -15.913 1.00 1.00 H new ATOM 174 N GLU A 12 -1.481 0.301 -10.896 1.00 1.00 N ATOM 175 CA GLU A 12 -2.140 1.199 -9.892 1.00 1.00 C ATOM 176 C GLU A 12 -1.085 2.015 -9.126 1.00 1.00 C ATOM 177 O GLU A 12 0.026 1.560 -8.936 1.00 1.00 O ATOM 178 CB GLU A 12 -2.953 0.332 -8.908 1.00 1.00 C ATOM 179 CG GLU A 12 -2.023 -0.730 -8.277 1.00 1.00 C ATOM 180 CD GLU A 12 -2.775 -1.598 -7.252 1.00 1.00 C ATOM 181 OE1 GLU A 12 -3.746 -2.216 -7.659 1.00 1.00 O ATOM 182 OE2 GLU A 12 -2.332 -1.596 -6.114 1.00 1.00 O ATOM 0 H GLU A 12 -0.818 -0.359 -10.490 1.00 1.00 H new ATOM 0 HA GLU A 12 -2.801 1.895 -10.407 1.00 1.00 H new ATOM 0 HB2 GLU A 12 -3.391 0.957 -8.130 1.00 1.00 H new ATOM 0 HB3 GLU A 12 -3.778 -0.154 -9.429 1.00 1.00 H new ATOM 0 HG2 GLU A 12 -1.610 -1.365 -9.060 1.00 1.00 H new ATOM 0 HG3 GLU A 12 -1.182 -0.236 -7.790 1.00 1.00 H new ATOM 189 N ASN A 13 -1.464 3.194 -8.699 1.00 1.00 N ATOM 190 CA ASN A 13 -0.526 4.066 -7.944 1.00 1.00 C ATOM 191 C ASN A 13 -0.179 3.392 -6.616 1.00 1.00 C ATOM 192 O ASN A 13 0.977 3.316 -6.238 1.00 1.00 O ATOM 193 CB ASN A 13 -1.207 5.449 -7.743 1.00 1.00 C ATOM 194 CG ASN A 13 -2.494 5.358 -6.910 1.00 1.00 C ATOM 195 OD1 ASN A 13 -2.466 5.271 -5.698 1.00 1.00 O ATOM 196 ND2 ASN A 13 -3.644 5.372 -7.525 1.00 1.00 N ATOM 0 H ASN A 13 -2.393 3.589 -8.845 1.00 1.00 H new ATOM 0 HA ASN A 13 0.407 4.219 -8.487 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -0.508 6.126 -7.252 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -1.439 5.881 -8.717 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -4.510 5.310 -6.989 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -3.678 5.445 -8.542 1.00 1.00 H new ATOM 203 N LYS A 14 -1.222 2.923 -5.975 1.00 1.00 N ATOM 204 CA LYS A 14 -1.132 2.220 -4.659 1.00 1.00 C ATOM 205 C LYS A 14 0.092 1.302 -4.605 1.00 1.00 C ATOM 206 O LYS A 14 0.701 1.159 -3.565 1.00 1.00 O ATOM 207 CB LYS A 14 -2.418 1.406 -4.452 1.00 1.00 C ATOM 208 CG LYS A 14 -3.653 2.339 -4.415 1.00 1.00 C ATOM 209 CD LYS A 14 -3.518 3.387 -3.276 1.00 1.00 C ATOM 210 CE LYS A 14 -4.792 4.225 -3.196 1.00 1.00 C ATOM 211 NZ LYS A 14 -5.939 3.348 -2.845 1.00 1.00 N ATOM 0 H LYS A 14 -2.175 3.004 -6.329 1.00 1.00 H new ATOM 0 HA LYS A 14 -1.022 2.958 -3.864 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -2.528 0.679 -5.257 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -2.353 0.843 -3.521 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -3.759 2.848 -5.373 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -4.557 1.748 -4.266 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -3.341 2.884 -2.325 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -2.658 4.031 -3.461 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -4.678 5.010 -2.448 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -4.976 4.719 -4.150 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -6.694 3.920 -2.416 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -6.299 2.887 -3.705 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -5.627 2.623 -2.168 1.00 1.00 H new ATOM 225 N ASP A 15 0.393 0.720 -5.741 1.00 1.00 N ATOM 226 CA ASP A 15 1.555 -0.211 -5.903 1.00 1.00 C ATOM 227 C ASP A 15 2.806 0.237 -5.133 1.00 1.00 C ATOM 228 O ASP A 15 3.449 -0.568 -4.495 1.00 1.00 O ATOM 229 CB ASP A 15 1.870 -0.319 -7.417 1.00 1.00 C ATOM 230 CG ASP A 15 3.058 -1.266 -7.702 1.00 1.00 C ATOM 231 OD1 ASP A 15 4.173 -0.886 -7.375 1.00 1.00 O ATOM 232 OD2 ASP A 15 2.781 -2.327 -8.237 1.00 1.00 O ATOM 0 H ASP A 15 -0.143 0.859 -6.598 1.00 1.00 H new ATOM 0 HA ASP A 15 1.278 -1.178 -5.482 1.00 1.00 H new ATOM 0 HB2 ASP A 15 0.987 -0.678 -7.945 1.00 1.00 H new ATOM 0 HB3 ASP A 15 2.095 0.672 -7.811 1.00 1.00 H new ATOM 237 N CYS A 16 3.086 1.509 -5.232 1.00 1.00 N ATOM 238 CA CYS A 16 4.259 2.156 -4.575 1.00 1.00 C ATOM 239 C CYS A 16 3.882 2.932 -3.311 1.00 1.00 C ATOM 240 O CYS A 16 2.768 3.400 -3.204 1.00 1.00 O ATOM 241 CB CYS A 16 4.840 3.049 -5.651 1.00 1.00 C ATOM 242 SG CYS A 16 5.818 2.078 -6.829 1.00 1.00 S ATOM 0 H CYS A 16 2.516 2.160 -5.772 1.00 1.00 H new ATOM 0 HA CYS A 16 4.978 1.421 -4.215 1.00 1.00 H new ATOM 0 HB2 CYS A 16 4.036 3.565 -6.176 1.00 1.00 H new ATOM 0 HB3 CYS A 16 5.466 3.816 -5.195 1.00 1.00 H new ATOM 247 N CYS A 17 4.815 3.042 -2.392 1.00 1.00 N ATOM 248 CA CYS A 17 4.608 3.774 -1.123 1.00 1.00 C ATOM 249 C CYS A 17 4.374 5.241 -1.501 1.00 1.00 C ATOM 250 O CYS A 17 3.591 5.940 -0.890 1.00 1.00 O ATOM 251 CB CYS A 17 5.857 3.665 -0.284 1.00 1.00 C ATOM 252 SG CYS A 17 6.310 2.141 0.578 1.00 1.00 S ATOM 0 H CYS A 17 5.745 2.633 -2.485 1.00 1.00 H new ATOM 0 HA CYS A 17 3.767 3.372 -0.558 1.00 1.00 H new ATOM 0 HB2 CYS A 17 6.694 3.918 -0.935 1.00 1.00 H new ATOM 0 HB3 CYS A 17 5.795 4.446 0.473 1.00 1.00 H new ATOM 257 N SER A 18 5.096 5.641 -2.520 1.00 1.00 N ATOM 258 CA SER A 18 5.023 7.020 -3.047 1.00 1.00 C ATOM 259 C SER A 18 3.677 7.239 -3.754 1.00 1.00 C ATOM 260 O SER A 18 3.354 8.352 -4.116 1.00 1.00 O ATOM 261 CB SER A 18 6.195 7.220 -4.021 1.00 1.00 C ATOM 262 OG SER A 18 6.108 8.586 -4.399 1.00 1.00 O ATOM 0 H SER A 18 5.752 5.039 -3.018 1.00 1.00 H new ATOM 0 HA SER A 18 5.094 7.746 -2.237 1.00 1.00 H new ATOM 0 HB2 SER A 18 7.150 6.999 -3.545 1.00 1.00 H new ATOM 0 HB3 SER A 18 6.110 6.562 -4.886 1.00 1.00 H new ATOM 0 HG SER A 18 5.168 8.865 -4.405 1.00 1.00 H new ATOM 268 N LYS A 19 2.953 6.154 -3.907 1.00 1.00 N ATOM 269 CA LYS A 19 1.616 6.119 -4.567 1.00 1.00 C ATOM 270 C LYS A 19 1.408 7.164 -5.671 1.00 1.00 C ATOM 271 O LYS A 19 0.355 7.770 -5.752 1.00 1.00 O ATOM 272 CB LYS A 19 0.537 6.294 -3.486 1.00 1.00 C ATOM 273 CG LYS A 19 0.612 5.121 -2.492 1.00 1.00 C ATOM 274 CD LYS A 19 -0.481 5.245 -1.421 1.00 1.00 C ATOM 275 CE LYS A 19 -0.421 6.621 -0.730 1.00 1.00 C ATOM 276 NZ LYS A 19 0.977 6.924 -0.318 1.00 1.00 N ATOM 0 H LYS A 19 3.261 5.239 -3.578 1.00 1.00 H new ATOM 0 HA LYS A 19 1.546 5.154 -5.069 1.00 1.00 H new ATOM 0 HB2 LYS A 19 0.682 7.239 -2.962 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -0.451 6.333 -3.946 1.00 1.00 H new ATOM 0 HG2 LYS A 19 0.499 4.178 -3.026 1.00 1.00 H new ATOM 0 HG3 LYS A 19 1.593 5.103 -2.017 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -1.461 5.106 -1.878 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -0.360 4.456 -0.679 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -0.785 7.393 -1.408 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -1.075 6.628 0.142 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 0.968 7.453 0.578 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 1.502 6.035 -0.190 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 1.439 7.496 -1.053 1.00 1.00 H new ATOM 290 N LYS A 20 2.417 7.350 -6.493 1.00 1.00 N ATOM 291 CA LYS A 20 2.245 8.360 -7.590 1.00 1.00 C ATOM 292 C LYS A 20 2.818 7.807 -8.888 1.00 1.00 C ATOM 293 O LYS A 20 3.822 8.257 -9.401 1.00 1.00 O ATOM 294 CB LYS A 20 2.939 9.710 -7.168 1.00 1.00 C ATOM 295 CG LYS A 20 2.112 10.454 -6.087 1.00 1.00 C ATOM 296 CD LYS A 20 0.775 10.970 -6.669 1.00 1.00 C ATOM 297 CE LYS A 20 -0.001 11.704 -5.564 1.00 1.00 C ATOM 298 NZ LYS A 20 -1.296 12.209 -6.102 1.00 1.00 N ATOM 0 H LYS A 20 3.316 6.869 -6.458 1.00 1.00 H new ATOM 0 HA LYS A 20 1.187 8.563 -7.756 1.00 1.00 H new ATOM 0 HB2 LYS A 20 3.939 9.504 -6.786 1.00 1.00 H new ATOM 0 HB3 LYS A 20 3.057 10.350 -8.043 1.00 1.00 H new ATOM 0 HG2 LYS A 20 1.914 9.784 -5.250 1.00 1.00 H new ATOM 0 HG3 LYS A 20 2.689 11.291 -5.695 1.00 1.00 H new ATOM 0 HD2 LYS A 20 0.963 11.642 -7.507 1.00 1.00 H new ATOM 0 HD3 LYS A 20 0.186 10.138 -7.054 1.00 1.00 H new ATOM 0 HE2 LYS A 20 -0.183 11.030 -4.727 1.00 1.00 H new ATOM 0 HE3 LYS A 20 0.592 12.535 -5.181 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 -1.815 12.704 -5.349 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 -1.113 12.867 -6.887 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 -1.865 11.409 -6.446 1.00 1.00 H new ATOM 312 N CYS A 21 2.125 6.819 -9.389 1.00 1.00 N ATOM 313 CA CYS A 21 2.549 6.161 -10.658 1.00 1.00 C ATOM 314 C CYS A 21 1.731 6.754 -11.807 1.00 1.00 C ATOM 315 O CYS A 21 0.588 7.122 -11.614 1.00 1.00 O ATOM 316 CB CYS A 21 2.303 4.648 -10.498 1.00 1.00 C ATOM 317 SG CYS A 21 2.476 3.534 -11.913 1.00 1.00 S ATOM 0 H CYS A 21 1.277 6.437 -8.970 1.00 1.00 H new ATOM 0 HA CYS A 21 3.604 6.326 -10.878 1.00 1.00 H new ATOM 0 HB2 CYS A 21 2.982 4.292 -9.724 1.00 1.00 H new ATOM 0 HB3 CYS A 21 1.290 4.526 -10.114 1.00 1.00 H new ATOM 322 N LYS A 22 2.340 6.834 -12.969 1.00 1.00 N ATOM 323 CA LYS A 22 1.611 7.409 -14.157 1.00 1.00 C ATOM 324 C LYS A 22 2.006 6.846 -15.530 1.00 1.00 C ATOM 325 O LYS A 22 3.083 6.309 -15.702 1.00 1.00 O ATOM 326 CB LYS A 22 1.799 8.963 -14.111 1.00 1.00 C ATOM 327 CG LYS A 22 3.258 9.423 -13.832 1.00 1.00 C ATOM 328 CD LYS A 22 4.243 9.240 -15.011 1.00 1.00 C ATOM 329 CE LYS A 22 3.877 10.141 -16.212 1.00 1.00 C ATOM 330 NZ LYS A 22 2.744 9.582 -17.000 1.00 1.00 N ATOM 0 H LYS A 22 3.297 6.531 -13.149 1.00 1.00 H new ATOM 0 HA LYS A 22 0.566 7.112 -14.064 1.00 1.00 H new ATOM 0 HB2 LYS A 22 1.473 9.385 -15.062 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.147 9.373 -13.340 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.243 10.476 -13.552 1.00 1.00 H new ATOM 0 HG3 LYS A 22 3.638 8.871 -12.973 1.00 1.00 H new ATOM 0 HD2 LYS A 22 5.255 9.472 -14.678 1.00 1.00 H new ATOM 0 HD3 LYS A 22 4.242 8.197 -15.326 1.00 1.00 H new ATOM 0 HE2 LYS A 22 3.613 11.136 -15.853 1.00 1.00 H new ATOM 0 HE3 LYS A 22 4.747 10.256 -16.858 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 2.712 10.038 -17.934 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 2.876 8.557 -17.119 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 1.851 9.760 -16.498 1.00 1.00 H new ATOM 344 N ARG A 23 1.096 6.998 -16.468 1.00 1.00 N ATOM 345 CA ARG A 23 1.298 6.513 -17.872 1.00 1.00 C ATOM 346 C ARG A 23 1.193 7.678 -18.878 1.00 1.00 C ATOM 347 O ARG A 23 0.552 8.677 -18.617 1.00 1.00 O ATOM 348 CB ARG A 23 0.206 5.420 -18.173 1.00 1.00 C ATOM 349 CG ARG A 23 0.092 5.065 -19.677 1.00 1.00 C ATOM 350 CD ARG A 23 1.170 4.062 -20.166 1.00 1.00 C ATOM 351 NE ARG A 23 2.558 4.540 -19.885 1.00 1.00 N ATOM 352 CZ ARG A 23 3.431 4.695 -20.846 1.00 1.00 C ATOM 353 NH1 ARG A 23 3.058 5.199 -21.989 1.00 1.00 N ATOM 354 NH2 ARG A 23 4.664 4.336 -20.622 1.00 1.00 N ATOM 0 H ARG A 23 0.196 7.452 -16.311 1.00 1.00 H new ATOM 0 HA ARG A 23 2.295 6.086 -17.976 1.00 1.00 H new ATOM 0 HB2 ARG A 23 0.442 4.517 -17.610 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.761 5.775 -17.816 1.00 1.00 H new ATOM 0 HG2 ARG A 23 -0.895 4.645 -19.868 1.00 1.00 H new ATOM 0 HG3 ARG A 23 0.168 5.980 -20.264 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.014 3.099 -19.680 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.054 3.901 -21.238 1.00 1.00 H new ATOM 0 HE ARG A 23 2.830 4.749 -18.924 1.00 1.00 H new ATOM 0 HH11 ARG A 23 2.086 5.472 -22.133 1.00 1.00 H new ATOM 0 HH12 ARG A 23 3.738 5.320 -22.739 1.00 1.00 H new ATOM 0 HH21 ARG A 23 4.925 3.946 -19.716 1.00 1.00 H new ATOM 0 HH22 ARG A 23 5.368 4.445 -21.352 1.00 1.00 H new ATOM 368 N ARG A 24 1.843 7.486 -20.000 1.00 1.00 N ATOM 369 CA ARG A 24 1.861 8.490 -21.107 1.00 1.00 C ATOM 370 C ARG A 24 1.704 7.731 -22.433 1.00 1.00 C ATOM 371 O ARG A 24 2.519 7.798 -23.334 1.00 1.00 O ATOM 372 CB ARG A 24 3.212 9.290 -21.052 1.00 1.00 C ATOM 373 CG ARG A 24 4.498 8.405 -21.208 1.00 1.00 C ATOM 374 CD ARG A 24 4.841 7.595 -19.942 1.00 1.00 C ATOM 375 NE ARG A 24 5.134 8.551 -18.838 1.00 1.00 N ATOM 376 CZ ARG A 24 6.324 8.567 -18.304 1.00 1.00 C ATOM 377 NH1 ARG A 24 6.676 7.584 -17.523 1.00 1.00 N ATOM 378 NH2 ARG A 24 7.118 9.565 -18.572 1.00 1.00 N ATOM 0 H ARG A 24 2.381 6.643 -20.199 1.00 1.00 H new ATOM 0 HA ARG A 24 1.046 9.208 -21.011 1.00 1.00 H new ATOM 0 HB2 ARG A 24 3.206 10.043 -21.840 1.00 1.00 H new ATOM 0 HB3 ARG A 24 3.266 9.823 -20.103 1.00 1.00 H new ATOM 0 HG2 ARG A 24 4.358 7.718 -22.043 1.00 1.00 H new ATOM 0 HG3 ARG A 24 5.343 9.046 -21.460 1.00 1.00 H new ATOM 0 HD2 ARG A 24 4.009 6.945 -19.670 1.00 1.00 H new ATOM 0 HD3 ARG A 24 5.702 6.951 -20.125 1.00 1.00 H new ATOM 0 HE ARG A 24 4.411 9.187 -18.503 1.00 1.00 H new ATOM 0 HH11 ARG A 24 6.025 6.821 -17.339 1.00 1.00 H new ATOM 0 HH12 ARG A 24 7.602 7.578 -17.096 1.00 1.00 H new ATOM 0 HH21 ARG A 24 6.805 10.314 -19.189 1.00 1.00 H new ATOM 0 HH22 ARG A 24 8.053 9.597 -18.165 1.00 1.00 H new ATOM 392 N GLY A 25 0.612 7.021 -22.492 1.00 1.00 N ATOM 393 CA GLY A 25 0.275 6.204 -23.684 1.00 1.00 C ATOM 394 C GLY A 25 -1.135 5.618 -23.630 1.00 1.00 C ATOM 395 O GLY A 25 -1.976 6.054 -22.867 1.00 1.00 O ATOM 0 H GLY A 25 -0.077 6.974 -21.741 1.00 1.00 H new ATOM 0 HA2 GLY A 25 0.372 6.820 -24.578 1.00 1.00 H new ATOM 0 HA3 GLY A 25 0.996 5.392 -23.776 1.00 1.00 H new ATOM 399 N THR A 26 -1.325 4.627 -24.464 1.00 1.00 N ATOM 400 CA THR A 26 -2.634 3.922 -24.565 1.00 1.00 C ATOM 401 C THR A 26 -2.738 2.805 -23.520 1.00 1.00 C ATOM 402 O THR A 26 -3.733 2.709 -22.827 1.00 1.00 O ATOM 403 CB THR A 26 -2.769 3.368 -26.020 1.00 1.00 C ATOM 404 OG1 THR A 26 -4.024 2.698 -26.037 1.00 1.00 O ATOM 405 CG2 THR A 26 -1.721 2.288 -26.385 1.00 1.00 C ATOM 0 H THR A 26 -0.607 4.270 -25.094 1.00 1.00 H new ATOM 0 HA THR A 26 -3.453 4.612 -24.360 1.00 1.00 H new ATOM 0 HB THR A 26 -2.648 4.198 -26.717 1.00 1.00 H new ATOM 0 HG1 THR A 26 -4.182 2.321 -26.928 1.00 1.00 H new ATOM 0 HG21 THR A 26 -1.883 1.956 -27.410 1.00 1.00 H new ATOM 0 HG22 THR A 26 -0.719 2.708 -26.293 1.00 1.00 H new ATOM 0 HG23 THR A 26 -1.822 1.439 -25.708 1.00 1.00 H new ATOM 413 N ASN A 27 -1.714 1.998 -23.436 1.00 1.00 N ATOM 414 CA ASN A 27 -1.712 0.874 -22.441 1.00 1.00 C ATOM 415 C ASN A 27 -1.576 1.525 -21.062 1.00 1.00 C ATOM 416 O ASN A 27 -0.976 2.573 -20.964 1.00 1.00 O ATOM 417 CB ASN A 27 -0.511 -0.049 -22.699 1.00 1.00 C ATOM 418 CG ASN A 27 -0.579 -0.601 -24.126 1.00 1.00 C ATOM 419 OD1 ASN A 27 -1.506 -1.293 -24.499 1.00 1.00 O ATOM 420 ND2 ASN A 27 0.385 -0.316 -24.957 1.00 1.00 N ATOM 0 H ASN A 27 -0.875 2.065 -24.012 1.00 1.00 H new ATOM 0 HA ASN A 27 -2.620 0.275 -22.514 1.00 1.00 H new ATOM 0 HB2 ASN A 27 0.419 0.501 -22.556 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -0.510 -0.869 -21.981 1.00 1.00 H new ATOM 0 HD21 ASN A 27 0.357 -0.673 -25.912 1.00 1.00 H new ATOM 0 HD22 ASN A 27 1.167 0.264 -24.652 1.00 1.00 H new ATOM 427 N ILE A 28 -2.121 0.920 -20.040 1.00 1.00 N ATOM 428 CA ILE A 28 -2.013 1.522 -18.670 1.00 1.00 C ATOM 429 C ILE A 28 -0.600 1.433 -18.083 1.00 1.00 C ATOM 430 O ILE A 28 -0.289 2.188 -17.188 1.00 1.00 O ATOM 431 CB ILE A 28 -3.008 0.823 -17.721 1.00 1.00 C ATOM 432 CG1 ILE A 28 -4.411 0.870 -18.374 1.00 1.00 C ATOM 433 CG2 ILE A 28 -3.041 1.615 -16.367 1.00 1.00 C ATOM 434 CD1 ILE A 28 -5.436 0.081 -17.535 1.00 1.00 C ATOM 0 H ILE A 28 -2.634 0.040 -20.089 1.00 1.00 H new ATOM 0 HA ILE A 28 -2.251 2.581 -18.769 1.00 1.00 H new ATOM 0 HB ILE A 28 -2.713 -0.210 -17.539 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -4.736 1.906 -18.472 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -4.362 0.454 -19.380 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -3.740 1.135 -15.682 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -2.045 1.620 -15.924 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -3.361 2.640 -16.553 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -6.413 0.129 -18.015 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -5.120 -0.959 -17.459 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -5.500 0.514 -16.537 1.00 1.00 H new ATOM 446 N GLU A 29 0.195 0.534 -18.614 1.00 1.00 N ATOM 447 CA GLU A 29 1.614 0.293 -18.162 1.00 1.00 C ATOM 448 C GLU A 29 2.314 1.613 -17.783 1.00 1.00 C ATOM 449 O GLU A 29 2.931 2.277 -18.591 1.00 1.00 O ATOM 450 CB GLU A 29 2.359 -0.408 -19.316 1.00 1.00 C ATOM 451 CG GLU A 29 1.664 -1.750 -19.655 1.00 1.00 C ATOM 452 CD GLU A 29 2.329 -2.381 -20.893 1.00 1.00 C ATOM 453 OE1 GLU A 29 2.185 -1.787 -21.952 1.00 1.00 O ATOM 454 OE2 GLU A 29 2.945 -3.419 -20.714 1.00 1.00 O ATOM 0 H GLU A 29 -0.093 -0.074 -19.380 1.00 1.00 H new ATOM 0 HA GLU A 29 1.618 -0.332 -17.269 1.00 1.00 H new ATOM 0 HB2 GLU A 29 2.374 0.236 -20.195 1.00 1.00 H new ATOM 0 HB3 GLU A 29 3.397 -0.587 -19.035 1.00 1.00 H new ATOM 0 HG2 GLU A 29 1.733 -2.431 -18.807 1.00 1.00 H new ATOM 0 HG3 GLU A 29 0.604 -1.584 -19.845 1.00 1.00 H new ATOM 461 N LYS A 30 2.182 1.917 -16.515 1.00 1.00 N ATOM 462 CA LYS A 30 2.757 3.164 -15.914 1.00 1.00 C ATOM 463 C LYS A 30 3.996 2.969 -15.041 1.00 1.00 C ATOM 464 O LYS A 30 4.306 1.854 -14.686 1.00 1.00 O ATOM 465 CB LYS A 30 1.609 3.828 -15.122 1.00 1.00 C ATOM 466 CG LYS A 30 0.640 2.821 -14.426 1.00 1.00 C ATOM 467 CD LYS A 30 -0.657 3.560 -14.085 1.00 1.00 C ATOM 468 CE LYS A 30 -0.401 4.619 -13.025 1.00 1.00 C ATOM 469 NZ LYS A 30 -1.486 5.627 -13.069 1.00 1.00 N ATOM 0 H LYS A 30 1.681 1.331 -15.847 1.00 1.00 H new ATOM 0 HA LYS A 30 3.131 3.791 -16.723 1.00 1.00 H new ATOM 0 HB2 LYS A 30 2.038 4.483 -14.364 1.00 1.00 H new ATOM 0 HB3 LYS A 30 1.033 4.458 -15.800 1.00 1.00 H new ATOM 0 HG2 LYS A 30 0.434 1.976 -15.083 1.00 1.00 H new ATOM 0 HG3 LYS A 30 1.096 2.418 -13.522 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -1.064 4.026 -14.982 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -1.404 2.851 -13.727 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -0.356 4.159 -12.038 1.00 1.00 H new ATOM 0 HE3 LYS A 30 0.563 5.097 -13.198 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -1.189 6.479 -12.552 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -1.689 5.875 -14.058 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -2.342 5.235 -12.627 1.00 1.00 H new ATOM 483 N ARG A 31 4.662 4.059 -14.719 1.00 1.00 N ATOM 484 CA ARG A 31 5.887 4.003 -13.875 1.00 1.00 C ATOM 485 C ARG A 31 5.571 4.523 -12.487 1.00 1.00 C ATOM 486 O ARG A 31 4.530 5.116 -12.305 1.00 1.00 O ATOM 487 CB ARG A 31 7.026 4.880 -14.415 1.00 1.00 C ATOM 488 CG ARG A 31 6.600 6.377 -14.509 1.00 1.00 C ATOM 489 CD ARG A 31 7.877 7.217 -14.576 1.00 1.00 C ATOM 490 NE ARG A 31 7.532 8.673 -14.622 1.00 1.00 N ATOM 491 CZ ARG A 31 7.978 9.454 -15.574 1.00 1.00 C ATOM 492 NH1 ARG A 31 9.117 9.192 -16.158 1.00 1.00 N ATOM 493 NH2 ARG A 31 7.264 10.489 -15.918 1.00 1.00 N ATOM 0 H ARG A 31 4.396 4.998 -15.015 1.00 1.00 H new ATOM 0 HA ARG A 31 6.204 2.960 -13.872 1.00 1.00 H new ATOM 0 HB2 ARG A 31 7.896 4.789 -13.765 1.00 1.00 H new ATOM 0 HB3 ARG A 31 7.325 4.523 -15.401 1.00 1.00 H new ATOM 0 HG2 ARG A 31 5.984 6.545 -15.392 1.00 1.00 H new ATOM 0 HG3 ARG A 31 6.000 6.660 -13.644 1.00 1.00 H new ATOM 0 HD2 ARG A 31 8.503 7.011 -13.708 1.00 1.00 H new ATOM 0 HD3 ARG A 31 8.455 6.944 -15.459 1.00 1.00 H new ATOM 0 HE ARG A 31 6.935 9.066 -13.894 1.00 1.00 H new ATOM 0 HH11 ARG A 31 9.661 8.378 -15.873 1.00 1.00 H new ATOM 0 HH12 ARG A 31 9.462 9.802 -16.899 1.00 1.00 H new ATOM 0 HH21 ARG A 31 6.378 10.676 -15.448 1.00 1.00 H new ATOM 0 HH22 ARG A 31 7.591 11.111 -16.657 1.00 1.00 H new ATOM 507 N CYS A 32 6.497 4.307 -11.585 1.00 1.00 N ATOM 508 CA CYS A 32 6.348 4.738 -10.169 1.00 1.00 C ATOM 509 C CYS A 32 7.105 5.976 -9.689 1.00 1.00 C ATOM 510 O CYS A 32 8.312 5.977 -9.551 1.00 1.00 O ATOM 511 CB CYS A 32 6.739 3.556 -9.282 1.00 1.00 C ATOM 512 SG CYS A 32 5.377 2.482 -8.757 1.00 1.00 S ATOM 0 H CYS A 32 7.378 3.833 -11.784 1.00 1.00 H new ATOM 0 HA CYS A 32 5.305 5.048 -10.098 1.00 1.00 H new ATOM 0 HB2 CYS A 32 7.469 2.950 -9.818 1.00 1.00 H new ATOM 0 HB3 CYS A 32 7.236 3.942 -8.392 1.00 1.00 H new ATOM 517 N ARG A 33 6.335 7.004 -9.450 1.00 1.00 N ATOM 518 CA ARG A 33 6.842 8.296 -8.969 1.00 1.00 C ATOM 519 C ARG A 33 6.197 8.542 -7.563 1.00 1.00 C ATOM 520 O ARG A 33 5.338 7.758 -7.160 1.00 1.00 O ATOM 521 CB ARG A 33 6.442 9.265 -10.103 1.00 1.00 C ATOM 522 CG ARG A 33 5.806 10.531 -9.593 1.00 1.00 C ATOM 523 CD ARG A 33 5.449 11.373 -10.800 1.00 1.00 C ATOM 524 NE ARG A 33 4.840 12.649 -10.325 1.00 1.00 N ATOM 525 CZ ARG A 33 5.402 13.789 -10.619 1.00 1.00 C ATOM 526 NH1 ARG A 33 6.340 14.249 -9.837 1.00 1.00 N ATOM 527 NH2 ARG A 33 5.008 14.430 -11.684 1.00 1.00 N ATOM 528 OXT ARG A 33 6.609 9.517 -6.957 1.00 1.00 O ATOM 0 H ARG A 33 5.324 6.985 -9.580 1.00 1.00 H new ATOM 0 HA ARG A 33 7.913 8.396 -8.796 1.00 1.00 H new ATOM 0 HB2 ARG A 33 7.327 9.518 -10.687 1.00 1.00 H new ATOM 0 HB3 ARG A 33 5.749 8.762 -10.777 1.00 1.00 H new ATOM 0 HG2 ARG A 33 4.916 10.304 -9.006 1.00 1.00 H new ATOM 0 HG3 ARG A 33 6.492 11.069 -8.938 1.00 1.00 H new ATOM 0 HD2 ARG A 33 6.339 11.577 -11.396 1.00 1.00 H new ATOM 0 HD3 ARG A 33 4.751 10.837 -11.443 1.00 1.00 H new ATOM 0 HE ARG A 33 3.984 12.630 -9.770 1.00 1.00 H new ATOM 0 HH11 ARG A 33 6.622 13.719 -9.012 1.00 1.00 H new ATOM 0 HH12 ARG A 33 6.791 15.139 -10.050 1.00 1.00 H new ATOM 0 HH21 ARG A 33 4.272 14.039 -12.272 1.00 1.00 H new ATOM 0 HH22 ARG A 33 5.436 15.323 -11.929 1.00 1.00 H new TER 542 ARG A 33