USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 272 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot 86:sc= 0.0283 USER MOD Set 1.2: A 27 ASN : amide:sc= 0.311 K(o=0.34,f=-1.6!) USER MOD Set 2.1: A 18 SER OG : rot 180:sc=-0.00661 USER MOD Set 2.2: A 20 LYS NZ :NH3+ -166:sc= 1.16 (180deg=0.966) USER MOD Single : A 6 HIS : no HD1:sc= -3.45 X(o=-3.4,f=-3.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= -0.018 (180deg=-0.275) USER MOD Single : A 13 ASN : amide:sc= -3.05! C(o=-3.1!,f=-3.8!) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= -0.0711 (180deg=-0.434) USER MOD Single : A 19 LYS NZ :NH3+ -107:sc= -2.46 (180deg=-5.4!) USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= -7.95! (180deg=-8.46!) USER MOD Single : A 30 LYS NZ :NH3+ -114:sc= -5.48! (180deg=-9.03!) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 1.292 0.887 -3.315 1.00 1.00 N ATOM 11 CA ASP A 2 0.941 1.385 -4.667 1.00 1.00 C ATOM 12 C ASP A 2 0.955 0.245 -5.697 1.00 1.00 C ATOM 13 O ASP A 2 1.737 0.226 -6.627 1.00 1.00 O ATOM 14 CB ASP A 2 1.952 2.521 -5.032 1.00 1.00 C ATOM 15 CG ASP A 2 3.404 2.160 -4.650 1.00 1.00 C ATOM 16 OD1 ASP A 2 3.912 1.201 -5.200 1.00 1.00 O ATOM 17 OD2 ASP A 2 3.935 2.873 -3.814 1.00 1.00 O ATOM 0 HA ASP A 2 -0.073 1.784 -4.676 1.00 1.00 H new ATOM 0 HB2 ASP A 2 1.899 2.721 -6.102 1.00 1.00 H new ATOM 0 HB3 ASP A 2 1.662 3.440 -4.522 1.00 1.00 H new ATOM 22 N CYS A 3 0.054 -0.685 -5.495 1.00 1.00 N ATOM 23 CA CYS A 3 -0.051 -1.855 -6.412 1.00 1.00 C ATOM 24 C CYS A 3 -0.951 -1.483 -7.599 1.00 1.00 C ATOM 25 O CYS A 3 -2.020 -2.032 -7.791 1.00 1.00 O ATOM 26 CB CYS A 3 -0.645 -3.025 -5.630 1.00 1.00 C ATOM 27 SG CYS A 3 0.185 -3.573 -4.120 1.00 1.00 S ATOM 0 H CYS A 3 -0.617 -0.681 -4.727 1.00 1.00 H new ATOM 0 HA CYS A 3 0.929 -2.138 -6.796 1.00 1.00 H new ATOM 0 HB2 CYS A 3 -1.669 -2.760 -5.366 1.00 1.00 H new ATOM 0 HB3 CYS A 3 -0.700 -3.879 -6.305 1.00 1.00 H new ATOM 32 N LEU A 4 -0.454 -0.529 -8.348 1.00 1.00 N ATOM 33 CA LEU A 4 -1.149 0.004 -9.569 1.00 1.00 C ATOM 34 C LEU A 4 -1.836 -1.079 -10.441 1.00 1.00 C ATOM 35 O LEU A 4 -1.487 -2.241 -10.355 1.00 1.00 O ATOM 36 CB LEU A 4 -0.108 0.765 -10.429 1.00 1.00 C ATOM 37 CG LEU A 4 0.549 1.945 -9.653 1.00 1.00 C ATOM 38 CD1 LEU A 4 1.533 2.659 -10.597 1.00 1.00 C ATOM 39 CD2 LEU A 4 -0.510 2.971 -9.179 1.00 1.00 C ATOM 0 H LEU A 4 0.441 -0.079 -8.157 1.00 1.00 H new ATOM 0 HA LEU A 4 -1.949 0.655 -9.216 1.00 1.00 H new ATOM 0 HB2 LEU A 4 0.667 0.072 -10.756 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -0.592 1.148 -11.327 1.00 1.00 H new ATOM 0 HG LEU A 4 1.057 1.543 -8.776 1.00 1.00 H new ATOM 0 HD11 LEU A 4 2.004 3.490 -10.071 1.00 1.00 H new ATOM 0 HD12 LEU A 4 2.299 1.956 -10.924 1.00 1.00 H new ATOM 0 HD13 LEU A 4 0.994 3.038 -11.465 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -0.017 3.781 -8.641 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -1.036 3.377 -10.043 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -1.224 2.479 -8.518 1.00 1.00 H new ATOM 51 N PRO A 5 -2.787 -0.679 -11.261 1.00 1.00 N ATOM 52 CA PRO A 5 -3.420 -1.566 -12.287 1.00 1.00 C ATOM 53 C PRO A 5 -2.392 -1.964 -13.372 1.00 1.00 C ATOM 54 O PRO A 5 -1.214 -2.060 -13.086 1.00 1.00 O ATOM 55 CB PRO A 5 -4.601 -0.717 -12.797 1.00 1.00 C ATOM 56 CG PRO A 5 -4.037 0.717 -12.691 1.00 1.00 C ATOM 57 CD PRO A 5 -3.375 0.696 -11.306 1.00 1.00 C ATOM 0 HA PRO A 5 -3.769 -2.528 -11.911 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -4.875 -0.973 -13.821 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -5.493 -0.850 -12.185 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -3.320 0.933 -13.483 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -4.822 1.470 -12.757 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -2.613 1.469 -11.207 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -4.098 0.857 -10.506 1.00 1.00 H new ATOM 65 N HIS A 6 -2.873 -2.187 -14.573 1.00 1.00 N ATOM 66 CA HIS A 6 -2.009 -2.579 -15.740 1.00 1.00 C ATOM 67 C HIS A 6 -0.660 -1.833 -15.760 1.00 1.00 C ATOM 68 O HIS A 6 -0.599 -0.698 -15.333 1.00 1.00 O ATOM 69 CB HIS A 6 -2.857 -2.292 -17.013 1.00 1.00 C ATOM 70 CG HIS A 6 -2.015 -2.005 -18.266 1.00 1.00 C ATOM 71 ND1 HIS A 6 -1.278 -0.955 -18.430 1.00 1.00 N ATOM 72 CD2 HIS A 6 -1.848 -2.722 -19.437 1.00 1.00 C ATOM 73 CE1 HIS A 6 -0.702 -1.000 -19.587 1.00 1.00 C ATOM 74 NE2 HIS A 6 -1.028 -2.082 -20.248 1.00 1.00 N ATOM 0 H HIS A 6 -3.864 -2.111 -14.802 1.00 1.00 H new ATOM 0 HA HIS A 6 -1.732 -3.631 -15.678 1.00 1.00 H new ATOM 0 HB2 HIS A 6 -3.503 -3.148 -17.209 1.00 1.00 H new ATOM 0 HB3 HIS A 6 -3.508 -1.439 -16.820 1.00 1.00 H new ATOM 0 HD2 HIS A 6 -2.320 -3.668 -19.656 1.00 1.00 H new ATOM 0 HE1 HIS A 6 -0.034 -0.239 -19.962 1.00 1.00 H new ATOM 0 HE2 HIS A 6 -0.719 -2.365 -21.178 1.00 1.00 H new ATOM 82 N LEU A 7 0.342 -2.523 -16.257 1.00 1.00 N ATOM 83 CA LEU A 7 1.747 -2.017 -16.384 1.00 1.00 C ATOM 84 C LEU A 7 1.869 -0.548 -16.815 1.00 1.00 C ATOM 85 O LEU A 7 2.195 -0.192 -17.931 1.00 1.00 O ATOM 86 CB LEU A 7 2.520 -2.974 -17.372 1.00 1.00 C ATOM 87 CG LEU A 7 1.924 -3.086 -18.807 1.00 1.00 C ATOM 88 CD1 LEU A 7 3.055 -3.498 -19.776 1.00 1.00 C ATOM 89 CD2 LEU A 7 0.868 -4.219 -18.861 1.00 1.00 C ATOM 0 H LEU A 7 0.231 -3.477 -16.600 1.00 1.00 H new ATOM 0 HA LEU A 7 2.192 -2.032 -15.389 1.00 1.00 H new ATOM 0 HB2 LEU A 7 3.550 -2.628 -17.452 1.00 1.00 H new ATOM 0 HB3 LEU A 7 2.552 -3.971 -16.933 1.00 1.00 H new ATOM 0 HG LEU A 7 1.476 -2.129 -19.075 1.00 1.00 H new ATOM 0 HD11 LEU A 7 2.656 -3.581 -20.787 1.00 1.00 H new ATOM 0 HD12 LEU A 7 3.842 -2.744 -19.758 1.00 1.00 H new ATOM 0 HD13 LEU A 7 3.466 -4.459 -19.468 1.00 1.00 H new ATOM 0 HD21 LEU A 7 0.459 -4.287 -19.869 1.00 1.00 H new ATOM 0 HD22 LEU A 7 1.337 -5.166 -18.595 1.00 1.00 H new ATOM 0 HD23 LEU A 7 0.065 -4.001 -18.157 1.00 1.00 H new ATOM 101 N LYS A 8 1.571 0.253 -15.828 1.00 1.00 N ATOM 102 CA LYS A 8 1.595 1.737 -15.923 1.00 1.00 C ATOM 103 C LYS A 8 3.055 2.184 -16.037 1.00 1.00 C ATOM 104 O LYS A 8 3.953 1.458 -15.657 1.00 1.00 O ATOM 105 CB LYS A 8 0.920 2.265 -14.645 1.00 1.00 C ATOM 106 CG LYS A 8 0.713 3.785 -14.662 1.00 1.00 C ATOM 107 CD LYS A 8 -0.444 4.154 -15.598 1.00 1.00 C ATOM 108 CE LYS A 8 -1.765 3.631 -15.003 1.00 1.00 C ATOM 109 NZ LYS A 8 -2.856 3.879 -15.966 1.00 1.00 N ATOM 0 H LYS A 8 1.296 -0.087 -14.906 1.00 1.00 H new ATOM 0 HA LYS A 8 1.065 2.122 -16.794 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -0.045 1.774 -14.521 1.00 1.00 H new ATOM 0 HB3 LYS A 8 1.528 1.996 -13.781 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.502 4.141 -13.654 1.00 1.00 H new ATOM 0 HG3 LYS A 8 1.627 4.280 -14.990 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -0.492 5.235 -15.727 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -0.280 3.722 -16.585 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -1.686 2.565 -14.790 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -1.976 4.131 -14.058 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -3.753 3.529 -15.572 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -2.933 4.900 -16.148 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -2.652 3.383 -16.857 1.00 1.00 H new ATOM 123 N LEU A 9 3.250 3.370 -16.547 1.00 1.00 N ATOM 124 CA LEU A 9 4.601 3.915 -16.715 1.00 1.00 C ATOM 125 C LEU A 9 5.302 4.267 -15.395 1.00 1.00 C ATOM 126 O LEU A 9 4.667 4.473 -14.377 1.00 1.00 O ATOM 127 CB LEU A 9 4.460 5.144 -17.614 1.00 1.00 C ATOM 128 CG LEU A 9 3.585 6.290 -16.991 1.00 1.00 C ATOM 129 CD1 LEU A 9 4.154 7.647 -17.463 1.00 1.00 C ATOM 130 CD2 LEU A 9 2.120 6.223 -17.506 1.00 1.00 C ATOM 0 H LEU A 9 2.501 3.989 -16.858 1.00 1.00 H new ATOM 0 HA LEU A 9 5.242 3.154 -17.160 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.453 5.537 -17.834 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.020 4.839 -18.563 1.00 1.00 H new ATOM 0 HG LEU A 9 3.603 6.179 -15.907 1.00 1.00 H new ATOM 0 HD11 LEU A 9 3.560 8.457 -17.041 1.00 1.00 H new ATOM 0 HD12 LEU A 9 5.188 7.744 -17.130 1.00 1.00 H new ATOM 0 HD13 LEU A 9 4.117 7.698 -18.551 1.00 1.00 H new ATOM 0 HD21 LEU A 9 1.539 7.029 -17.057 1.00 1.00 H new ATOM 0 HD22 LEU A 9 2.110 6.330 -18.591 1.00 1.00 H new ATOM 0 HD23 LEU A 9 1.681 5.263 -17.232 1.00 1.00 H new ATOM 142 N CYS A 10 6.608 4.318 -15.478 1.00 1.00 N ATOM 143 CA CYS A 10 7.459 4.647 -14.308 1.00 1.00 C ATOM 144 C CYS A 10 8.908 4.894 -14.767 1.00 1.00 C ATOM 145 O CYS A 10 9.240 4.790 -15.935 1.00 1.00 O ATOM 146 CB CYS A 10 7.476 3.487 -13.263 1.00 1.00 C ATOM 147 SG CYS A 10 8.845 2.304 -13.343 1.00 1.00 S ATOM 0 H CYS A 10 7.128 4.139 -16.337 1.00 1.00 H new ATOM 0 HA CYS A 10 7.039 5.540 -13.845 1.00 1.00 H new ATOM 0 HB2 CYS A 10 7.474 3.932 -12.268 1.00 1.00 H new ATOM 0 HB3 CYS A 10 6.545 2.930 -13.365 1.00 1.00 H new ATOM 152 N LYS A 11 9.709 5.215 -13.784 1.00 1.00 N ATOM 153 CA LYS A 11 11.162 5.498 -13.970 1.00 1.00 C ATOM 154 C LYS A 11 11.897 4.526 -13.026 1.00 1.00 C ATOM 155 O LYS A 11 12.886 3.923 -13.396 1.00 1.00 O ATOM 156 CB LYS A 11 11.417 6.953 -13.601 1.00 1.00 C ATOM 157 CG LYS A 11 12.681 7.532 -14.303 1.00 1.00 C ATOM 158 CD LYS A 11 13.998 6.802 -13.925 1.00 1.00 C ATOM 159 CE LYS A 11 14.227 6.802 -12.401 1.00 1.00 C ATOM 160 NZ LYS A 11 14.204 8.195 -11.879 1.00 1.00 N ATOM 0 H LYS A 11 9.398 5.295 -12.816 1.00 1.00 H new ATOM 0 HA LYS A 11 11.507 5.356 -14.994 1.00 1.00 H new ATOM 0 HB2 LYS A 11 10.548 7.552 -13.873 1.00 1.00 H new ATOM 0 HB3 LYS A 11 11.535 7.035 -12.521 1.00 1.00 H new ATOM 0 HG2 LYS A 11 12.543 7.476 -15.383 1.00 1.00 H new ATOM 0 HG3 LYS A 11 12.775 8.587 -14.048 1.00 1.00 H new ATOM 0 HD2 LYS A 11 13.963 5.775 -14.289 1.00 1.00 H new ATOM 0 HD3 LYS A 11 14.839 7.287 -14.420 1.00 1.00 H new ATOM 0 HE2 LYS A 11 13.456 6.209 -11.910 1.00 1.00 H new ATOM 0 HE3 LYS A 11 15.184 6.335 -12.170 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 14.541 8.203 -10.895 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 14.823 8.794 -12.462 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 13.232 8.563 -11.915 1.00 1.00 H new ATOM 174 N GLU A 12 11.371 4.415 -11.829 1.00 1.00 N ATOM 175 CA GLU A 12 11.953 3.516 -10.780 1.00 1.00 C ATOM 176 C GLU A 12 10.957 2.402 -10.395 1.00 1.00 C ATOM 177 O GLU A 12 9.759 2.546 -10.550 1.00 1.00 O ATOM 178 CB GLU A 12 12.298 4.398 -9.563 1.00 1.00 C ATOM 179 CG GLU A 12 12.847 3.555 -8.387 1.00 1.00 C ATOM 180 CD GLU A 12 13.200 4.476 -7.205 1.00 1.00 C ATOM 181 OE1 GLU A 12 12.294 5.159 -6.754 1.00 1.00 O ATOM 182 OE2 GLU A 12 14.356 4.445 -6.815 1.00 1.00 O ATOM 0 H GLU A 12 10.540 4.924 -11.528 1.00 1.00 H new ATOM 0 HA GLU A 12 12.848 3.019 -11.154 1.00 1.00 H new ATOM 0 HB2 GLU A 12 13.037 5.145 -9.852 1.00 1.00 H new ATOM 0 HB3 GLU A 12 11.408 4.938 -9.240 1.00 1.00 H new ATOM 0 HG2 GLU A 12 12.105 2.819 -8.077 1.00 1.00 H new ATOM 0 HG3 GLU A 12 13.731 3.002 -8.705 1.00 1.00 H new ATOM 189 N ASN A 13 11.509 1.323 -9.896 1.00 1.00 N ATOM 190 CA ASN A 13 10.706 0.137 -9.465 1.00 1.00 C ATOM 191 C ASN A 13 9.678 0.478 -8.373 1.00 1.00 C ATOM 192 O ASN A 13 8.518 0.128 -8.490 1.00 1.00 O ATOM 193 CB ASN A 13 11.673 -0.955 -8.951 1.00 1.00 C ATOM 194 CG ASN A 13 12.485 -0.450 -7.747 1.00 1.00 C ATOM 195 OD1 ASN A 13 13.305 0.439 -7.857 1.00 1.00 O ATOM 196 ND2 ASN A 13 12.278 -0.993 -6.579 1.00 1.00 N ATOM 0 H ASN A 13 12.515 1.213 -9.766 1.00 1.00 H new ATOM 0 HA ASN A 13 10.141 -0.216 -10.328 1.00 1.00 H new ATOM 0 HB2 ASN A 13 11.107 -1.842 -8.666 1.00 1.00 H new ATOM 0 HB3 ASN A 13 12.350 -1.252 -9.752 1.00 1.00 H new ATOM 0 HD21 ASN A 13 12.803 -0.670 -5.766 1.00 1.00 H new ATOM 0 HD22 ASN A 13 11.591 -1.740 -6.478 1.00 1.00 H new ATOM 203 N LYS A 14 10.159 1.154 -7.355 1.00 1.00 N ATOM 204 CA LYS A 14 9.327 1.584 -6.182 1.00 1.00 C ATOM 205 C LYS A 14 7.924 2.046 -6.589 1.00 1.00 C ATOM 206 O LYS A 14 6.981 1.885 -5.837 1.00 1.00 O ATOM 207 CB LYS A 14 10.060 2.724 -5.442 1.00 1.00 C ATOM 208 CG LYS A 14 11.425 2.194 -4.922 1.00 1.00 C ATOM 209 CD LYS A 14 12.121 3.222 -3.990 1.00 1.00 C ATOM 210 CE LYS A 14 11.333 3.417 -2.676 1.00 1.00 C ATOM 211 NZ LYS A 14 11.211 2.125 -1.942 1.00 1.00 N ATOM 0 H LYS A 14 11.137 1.437 -7.287 1.00 1.00 H new ATOM 0 HA LYS A 14 9.197 0.720 -5.531 1.00 1.00 H new ATOM 0 HB2 LYS A 14 10.215 3.569 -6.112 1.00 1.00 H new ATOM 0 HB3 LYS A 14 9.454 3.084 -4.610 1.00 1.00 H new ATOM 0 HG2 LYS A 14 11.271 1.259 -4.383 1.00 1.00 H new ATOM 0 HG3 LYS A 14 12.075 1.971 -5.768 1.00 1.00 H new ATOM 0 HD2 LYS A 14 13.132 2.883 -3.763 1.00 1.00 H new ATOM 0 HD3 LYS A 14 12.214 4.178 -4.505 1.00 1.00 H new ATOM 0 HE2 LYS A 14 11.837 4.152 -2.049 1.00 1.00 H new ATOM 0 HE3 LYS A 14 10.341 3.812 -2.895 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 10.945 2.311 -0.954 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 10.481 1.538 -2.392 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 12.122 1.624 -1.967 1.00 1.00 H new ATOM 225 N ASP A 15 7.858 2.609 -7.773 1.00 1.00 N ATOM 226 CA ASP A 15 6.581 3.124 -8.362 1.00 1.00 C ATOM 227 C ASP A 15 5.413 2.180 -8.048 1.00 1.00 C ATOM 228 O ASP A 15 4.337 2.614 -7.683 1.00 1.00 O ATOM 229 CB ASP A 15 6.799 3.267 -9.882 1.00 1.00 C ATOM 230 CG ASP A 15 5.532 3.782 -10.597 1.00 1.00 C ATOM 231 OD1 ASP A 15 4.618 2.985 -10.732 1.00 1.00 O ATOM 232 OD2 ASP A 15 5.545 4.943 -10.970 1.00 1.00 O ATOM 0 H ASP A 15 8.670 2.737 -8.377 1.00 1.00 H new ATOM 0 HA ASP A 15 6.321 4.090 -7.930 1.00 1.00 H new ATOM 0 HB2 ASP A 15 7.625 3.953 -10.068 1.00 1.00 H new ATOM 0 HB3 ASP A 15 7.086 2.302 -10.300 1.00 1.00 H new ATOM 237 N CYS A 16 5.689 0.913 -8.212 1.00 1.00 N ATOM 238 CA CYS A 16 4.696 -0.150 -7.957 1.00 1.00 C ATOM 239 C CYS A 16 5.086 -0.956 -6.728 1.00 1.00 C ATOM 240 O CYS A 16 6.257 -1.082 -6.435 1.00 1.00 O ATOM 241 CB CYS A 16 4.652 -1.022 -9.188 1.00 1.00 C ATOM 242 SG CYS A 16 3.471 -0.409 -10.415 1.00 1.00 S ATOM 0 H CYS A 16 6.597 0.569 -8.524 1.00 1.00 H new ATOM 0 HA CYS A 16 3.712 0.275 -7.760 1.00 1.00 H new ATOM 0 HB2 CYS A 16 5.646 -1.069 -9.634 1.00 1.00 H new ATOM 0 HB3 CYS A 16 4.382 -2.039 -8.902 1.00 1.00 H new ATOM 247 N CYS A 17 4.096 -1.476 -6.041 1.00 1.00 N ATOM 248 CA CYS A 17 4.350 -2.283 -4.832 1.00 1.00 C ATOM 249 C CYS A 17 5.055 -3.563 -5.295 1.00 1.00 C ATOM 250 O CYS A 17 5.875 -4.123 -4.594 1.00 1.00 O ATOM 251 CB CYS A 17 3.016 -2.592 -4.176 1.00 1.00 C ATOM 252 SG CYS A 17 2.060 -4.032 -4.713 1.00 1.00 S ATOM 0 H CYS A 17 3.111 -1.366 -6.281 1.00 1.00 H new ATOM 0 HA CYS A 17 4.974 -1.764 -4.104 1.00 1.00 H new ATOM 0 HB2 CYS A 17 3.198 -2.703 -3.107 1.00 1.00 H new ATOM 0 HB3 CYS A 17 2.381 -1.715 -4.302 1.00 1.00 H new ATOM 257 N SER A 18 4.689 -3.973 -6.487 1.00 1.00 N ATOM 258 CA SER A 18 5.259 -5.185 -7.117 1.00 1.00 C ATOM 259 C SER A 18 6.720 -4.893 -7.504 1.00 1.00 C ATOM 260 O SER A 18 7.440 -5.788 -7.894 1.00 1.00 O ATOM 261 CB SER A 18 4.429 -5.531 -8.369 1.00 1.00 C ATOM 262 OG SER A 18 5.024 -6.715 -8.886 1.00 1.00 O ATOM 0 H SER A 18 3.994 -3.494 -7.060 1.00 1.00 H new ATOM 0 HA SER A 18 5.231 -6.030 -6.429 1.00 1.00 H new ATOM 0 HB2 SER A 18 3.381 -5.693 -8.116 1.00 1.00 H new ATOM 0 HB3 SER A 18 4.459 -4.722 -9.099 1.00 1.00 H new ATOM 0 HG SER A 18 4.543 -6.998 -9.691 1.00 1.00 H new ATOM 268 N LYS A 19 7.091 -3.640 -7.366 1.00 1.00 N ATOM 269 CA LYS A 19 8.452 -3.119 -7.684 1.00 1.00 C ATOM 270 C LYS A 19 9.199 -3.870 -8.792 1.00 1.00 C ATOM 271 O LYS A 19 10.382 -4.129 -8.671 1.00 1.00 O ATOM 272 CB LYS A 19 9.285 -3.141 -6.385 1.00 1.00 C ATOM 273 CG LYS A 19 8.659 -2.193 -5.344 1.00 1.00 C ATOM 274 CD LYS A 19 9.558 -2.017 -4.105 1.00 1.00 C ATOM 275 CE LYS A 19 9.794 -3.348 -3.360 1.00 1.00 C ATOM 276 NZ LYS A 19 10.714 -4.232 -4.132 1.00 1.00 N ATOM 0 H LYS A 19 6.458 -2.917 -7.023 1.00 1.00 H new ATOM 0 HA LYS A 19 8.317 -2.111 -8.076 1.00 1.00 H new ATOM 0 HB2 LYS A 19 9.327 -4.155 -5.987 1.00 1.00 H new ATOM 0 HB3 LYS A 19 10.311 -2.838 -6.595 1.00 1.00 H new ATOM 0 HG2 LYS A 19 8.479 -1.220 -5.802 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.689 -2.584 -5.035 1.00 1.00 H new ATOM 0 HD2 LYS A 19 10.517 -1.599 -4.411 1.00 1.00 H new ATOM 0 HD3 LYS A 19 9.100 -1.299 -3.425 1.00 1.00 H new ATOM 0 HE2 LYS A 19 10.216 -3.149 -2.375 1.00 1.00 H new ATOM 0 HE3 LYS A 19 8.842 -3.855 -3.202 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 10.173 -5.016 -4.550 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 11.169 -3.683 -4.889 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 11.442 -4.615 -3.496 1.00 1.00 H new ATOM 290 N LYS A 20 8.487 -4.201 -9.846 1.00 1.00 N ATOM 291 CA LYS A 20 9.179 -4.927 -10.958 1.00 1.00 C ATOM 292 C LYS A 20 8.829 -4.185 -12.233 1.00 1.00 C ATOM 293 O LYS A 20 8.279 -4.720 -13.171 1.00 1.00 O ATOM 294 CB LYS A 20 8.704 -6.435 -11.004 1.00 1.00 C ATOM 295 CG LYS A 20 9.818 -7.386 -10.483 1.00 1.00 C ATOM 296 CD LYS A 20 9.953 -7.392 -8.936 1.00 1.00 C ATOM 297 CE LYS A 20 9.126 -8.542 -8.297 1.00 1.00 C ATOM 298 NZ LYS A 20 7.662 -8.409 -8.553 1.00 1.00 N ATOM 0 H LYS A 20 7.495 -4.009 -9.982 1.00 1.00 H new ATOM 0 HA LYS A 20 10.260 -4.950 -10.819 1.00 1.00 H new ATOM 0 HB2 LYS A 20 7.806 -6.556 -10.399 1.00 1.00 H new ATOM 0 HB3 LYS A 20 8.439 -6.705 -12.026 1.00 1.00 H new ATOM 0 HG2 LYS A 20 9.609 -8.399 -10.826 1.00 1.00 H new ATOM 0 HG3 LYS A 20 10.771 -7.091 -10.922 1.00 1.00 H new ATOM 0 HD2 LYS A 20 11.002 -7.501 -8.662 1.00 1.00 H new ATOM 0 HD3 LYS A 20 9.617 -6.435 -8.537 1.00 1.00 H new ATOM 0 HE2 LYS A 20 9.474 -9.497 -8.691 1.00 1.00 H new ATOM 0 HE3 LYS A 20 9.303 -8.557 -7.222 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 7.140 -9.049 -7.921 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 7.366 -7.428 -8.374 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 7.459 -8.657 -9.542 1.00 1.00 H new ATOM 312 N CYS A 21 9.190 -2.931 -12.221 1.00 1.00 N ATOM 313 CA CYS A 21 8.907 -2.077 -13.407 1.00 1.00 C ATOM 314 C CYS A 21 10.184 -2.053 -14.248 1.00 1.00 C ATOM 315 O CYS A 21 11.248 -1.744 -13.746 1.00 1.00 O ATOM 316 CB CYS A 21 8.504 -0.672 -12.912 1.00 1.00 C ATOM 317 SG CYS A 21 8.150 0.593 -14.159 1.00 1.00 S ATOM 0 H CYS A 21 9.665 -2.465 -11.448 1.00 1.00 H new ATOM 0 HA CYS A 21 8.086 -2.456 -14.017 1.00 1.00 H new ATOM 0 HB2 CYS A 21 7.620 -0.779 -12.283 1.00 1.00 H new ATOM 0 HB3 CYS A 21 9.305 -0.299 -12.274 1.00 1.00 H new ATOM 322 N LYS A 22 10.026 -2.390 -15.508 1.00 1.00 N ATOM 323 CA LYS A 22 11.204 -2.421 -16.444 1.00 1.00 C ATOM 324 C LYS A 22 11.005 -1.761 -17.816 1.00 1.00 C ATOM 325 O LYS A 22 9.890 -1.508 -18.234 1.00 1.00 O ATOM 326 CB LYS A 22 11.624 -3.924 -16.585 1.00 1.00 C ATOM 327 CG LYS A 22 10.436 -4.901 -16.842 1.00 1.00 C ATOM 328 CD LYS A 22 9.776 -4.779 -18.237 1.00 1.00 C ATOM 329 CE LYS A 22 10.729 -5.232 -19.367 1.00 1.00 C ATOM 330 NZ LYS A 22 11.807 -4.240 -19.620 1.00 1.00 N ATOM 0 H LYS A 22 9.134 -2.645 -15.931 1.00 1.00 H new ATOM 0 HA LYS A 22 11.987 -1.803 -16.005 1.00 1.00 H new ATOM 0 HB2 LYS A 22 12.337 -4.014 -17.404 1.00 1.00 H new ATOM 0 HB3 LYS A 22 12.142 -4.231 -15.676 1.00 1.00 H new ATOM 0 HG2 LYS A 22 10.792 -5.923 -16.714 1.00 1.00 H new ATOM 0 HG3 LYS A 22 9.675 -4.731 -16.081 1.00 1.00 H new ATOM 0 HD2 LYS A 22 8.869 -5.383 -18.263 1.00 1.00 H new ATOM 0 HD3 LYS A 22 9.476 -3.745 -18.408 1.00 1.00 H new ATOM 0 HE2 LYS A 22 11.174 -6.191 -19.103 1.00 1.00 H new ATOM 0 HE3 LYS A 22 10.158 -5.387 -20.282 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 12.263 -4.448 -20.531 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 11.399 -3.284 -19.647 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 12.514 -4.294 -18.859 1.00 1.00 H new ATOM 344 N ARG A 23 12.126 -1.504 -18.459 1.00 1.00 N ATOM 345 CA ARG A 23 12.147 -0.864 -19.807 1.00 1.00 C ATOM 346 C ARG A 23 12.811 -1.729 -20.900 1.00 1.00 C ATOM 347 O ARG A 23 13.953 -2.123 -20.762 1.00 1.00 O ATOM 348 CB ARG A 23 12.922 0.476 -19.723 1.00 1.00 C ATOM 349 CG ARG A 23 12.161 1.612 -20.373 1.00 1.00 C ATOM 350 CD ARG A 23 11.808 1.463 -21.872 1.00 1.00 C ATOM 351 NE ARG A 23 10.659 0.522 -22.036 1.00 1.00 N ATOM 352 CZ ARG A 23 9.495 0.934 -22.458 1.00 1.00 C ATOM 353 NH1 ARG A 23 9.415 1.639 -23.553 1.00 1.00 N ATOM 354 NH2 ARG A 23 8.442 0.619 -21.755 1.00 1.00 N ATOM 0 H ARG A 23 13.051 -1.721 -18.088 1.00 1.00 H new ATOM 0 HA ARG A 23 11.104 -0.722 -20.091 1.00 1.00 H new ATOM 0 HB2 ARG A 23 13.114 0.719 -18.678 1.00 1.00 H new ATOM 0 HB3 ARG A 23 13.892 0.365 -20.208 1.00 1.00 H new ATOM 0 HG2 ARG A 23 11.233 1.756 -19.820 1.00 1.00 H new ATOM 0 HG3 ARG A 23 12.747 2.523 -20.253 1.00 1.00 H new ATOM 0 HD2 ARG A 23 11.555 2.436 -22.293 1.00 1.00 H new ATOM 0 HD3 ARG A 23 12.673 1.093 -22.423 1.00 1.00 H new ATOM 0 HE ARG A 23 10.787 -0.465 -21.813 1.00 1.00 H new ATOM 0 HH11 ARG A 23 10.261 1.866 -24.076 1.00 1.00 H new ATOM 0 HH12 ARG A 23 8.507 1.963 -23.886 1.00 1.00 H new ATOM 0 HH21 ARG A 23 8.544 0.067 -20.904 1.00 1.00 H new ATOM 0 HH22 ARG A 23 7.517 0.925 -22.057 1.00 1.00 H new ATOM 368 N ARG A 24 12.068 -1.996 -21.946 1.00 1.00 N ATOM 369 CA ARG A 24 12.565 -2.808 -23.102 1.00 1.00 C ATOM 370 C ARG A 24 12.406 -1.884 -24.319 1.00 1.00 C ATOM 371 O ARG A 24 11.863 -2.207 -25.357 1.00 1.00 O ATOM 372 CB ARG A 24 11.700 -4.121 -23.215 1.00 1.00 C ATOM 373 CG ARG A 24 10.218 -3.933 -23.699 1.00 1.00 C ATOM 374 CD ARG A 24 9.463 -2.810 -22.963 1.00 1.00 C ATOM 375 NE ARG A 24 9.545 -3.051 -21.492 1.00 1.00 N ATOM 376 CZ ARG A 24 8.453 -3.142 -20.786 1.00 1.00 C ATOM 377 NH1 ARG A 24 7.796 -4.269 -20.766 1.00 1.00 N ATOM 378 NH2 ARG A 24 8.058 -2.096 -20.121 1.00 1.00 N ATOM 0 H ARG A 24 11.106 -1.674 -22.049 1.00 1.00 H new ATOM 0 HA ARG A 24 13.600 -3.135 -23.005 1.00 1.00 H new ATOM 0 HB2 ARG A 24 12.201 -4.804 -23.901 1.00 1.00 H new ATOM 0 HB3 ARG A 24 11.683 -4.606 -22.239 1.00 1.00 H new ATOM 0 HG2 ARG A 24 10.219 -3.718 -24.768 1.00 1.00 H new ATOM 0 HG3 ARG A 24 9.679 -4.871 -23.563 1.00 1.00 H new ATOM 0 HD2 ARG A 24 9.896 -1.841 -23.210 1.00 1.00 H new ATOM 0 HD3 ARG A 24 8.421 -2.785 -23.283 1.00 1.00 H new ATOM 0 HE ARG A 24 10.455 -3.144 -21.040 1.00 1.00 H new ATOM 0 HH11 ARG A 24 8.138 -5.068 -21.300 1.00 1.00 H new ATOM 0 HH12 ARG A 24 6.940 -4.351 -20.217 1.00 1.00 H new ATOM 0 HH21 ARG A 24 8.599 -1.232 -20.160 1.00 1.00 H new ATOM 0 HH22 ARG A 24 7.207 -2.139 -19.560 1.00 1.00 H new ATOM 392 N GLY A 25 12.939 -0.719 -24.074 1.00 1.00 N ATOM 393 CA GLY A 25 12.968 0.416 -25.007 1.00 1.00 C ATOM 394 C GLY A 25 14.279 1.191 -24.916 1.00 1.00 C ATOM 395 O GLY A 25 15.262 0.718 -24.378 1.00 1.00 O ATOM 0 H GLY A 25 13.390 -0.507 -23.184 1.00 1.00 H new ATOM 0 HA2 GLY A 25 12.830 0.053 -26.025 1.00 1.00 H new ATOM 0 HA3 GLY A 25 12.135 1.085 -24.792 1.00 1.00 H new ATOM 399 N THR A 26 14.222 2.376 -25.462 1.00 1.00 N ATOM 400 CA THR A 26 15.388 3.298 -25.483 1.00 1.00 C ATOM 401 C THR A 26 15.287 4.259 -24.295 1.00 1.00 C ATOM 402 O THR A 26 16.216 4.381 -23.519 1.00 1.00 O ATOM 403 CB THR A 26 15.395 4.081 -26.825 1.00 1.00 C ATOM 404 OG1 THR A 26 14.116 4.692 -26.929 1.00 1.00 O ATOM 405 CG2 THR A 26 15.465 3.127 -28.032 1.00 1.00 C ATOM 0 H THR A 26 13.386 2.752 -25.908 1.00 1.00 H new ATOM 0 HA THR A 26 16.318 2.736 -25.402 1.00 1.00 H new ATOM 0 HB THR A 26 16.243 4.766 -26.832 1.00 1.00 H new ATOM 0 HG1 THR A 26 14.127 5.554 -26.463 1.00 1.00 H new ATOM 0 HG21 THR A 26 15.468 3.707 -28.955 1.00 1.00 H new ATOM 0 HG22 THR A 26 16.377 2.533 -27.974 1.00 1.00 H new ATOM 0 HG23 THR A 26 14.599 2.465 -28.023 1.00 1.00 H new ATOM 413 N ASN A 27 14.158 4.911 -24.193 1.00 1.00 N ATOM 414 CA ASN A 27 13.928 5.882 -23.069 1.00 1.00 C ATOM 415 C ASN A 27 13.781 5.058 -21.783 1.00 1.00 C ATOM 416 O ASN A 27 13.464 3.889 -21.874 1.00 1.00 O ATOM 417 CB ASN A 27 12.633 6.671 -23.311 1.00 1.00 C ATOM 418 CG ASN A 27 12.730 7.496 -24.600 1.00 1.00 C ATOM 419 OD1 ASN A 27 12.934 6.976 -25.679 1.00 1.00 O ATOM 420 ND2 ASN A 27 12.587 8.790 -24.527 1.00 1.00 N ATOM 0 H ASN A 27 13.377 4.815 -24.842 1.00 1.00 H new ATOM 0 HA ASN A 27 14.756 6.587 -22.998 1.00 1.00 H new ATOM 0 HB2 ASN A 27 11.790 5.983 -23.377 1.00 1.00 H new ATOM 0 HB3 ASN A 27 12.441 7.331 -22.465 1.00 1.00 H new ATOM 0 HD21 ASN A 27 12.647 9.358 -25.372 1.00 1.00 H new ATOM 0 HD22 ASN A 27 12.415 9.234 -23.625 1.00 1.00 H new ATOM 427 N ILE A 28 14.006 5.650 -20.634 1.00 1.00 N ATOM 428 CA ILE A 28 13.863 4.861 -19.365 1.00 1.00 C ATOM 429 C ILE A 28 12.389 4.560 -19.079 1.00 1.00 C ATOM 430 O ILE A 28 12.111 3.649 -18.327 1.00 1.00 O ATOM 431 CB ILE A 28 14.466 5.630 -18.178 1.00 1.00 C ATOM 432 CG1 ILE A 28 15.931 5.983 -18.532 1.00 1.00 C ATOM 433 CG2 ILE A 28 14.463 4.663 -16.941 1.00 1.00 C ATOM 434 CD1 ILE A 28 16.552 6.871 -17.431 1.00 1.00 C ATOM 0 H ILE A 28 14.277 6.626 -20.518 1.00 1.00 H new ATOM 0 HA ILE A 28 14.401 3.922 -19.493 1.00 1.00 H new ATOM 0 HB ILE A 28 13.902 6.537 -17.961 1.00 1.00 H new ATOM 0 HG12 ILE A 28 16.515 5.069 -18.644 1.00 1.00 H new ATOM 0 HG13 ILE A 28 15.965 6.503 -19.490 1.00 1.00 H new ATOM 0 HG21 ILE A 28 14.885 5.176 -16.077 1.00 1.00 H new ATOM 0 HG22 ILE A 28 13.440 4.360 -16.719 1.00 1.00 H new ATOM 0 HG23 ILE A 28 15.062 3.781 -17.167 1.00 1.00 H new ATOM 0 HD11 ILE A 28 17.582 7.110 -17.695 1.00 1.00 H new ATOM 0 HD12 ILE A 28 15.977 7.793 -17.340 1.00 1.00 H new ATOM 0 HD13 ILE A 28 16.535 6.337 -16.481 1.00 1.00 H new ATOM 446 N GLU A 29 11.516 5.338 -19.681 1.00 1.00 N ATOM 447 CA GLU A 29 10.026 5.200 -19.536 1.00 1.00 C ATOM 448 C GLU A 29 9.676 3.701 -19.513 1.00 1.00 C ATOM 449 O GLU A 29 9.440 3.098 -20.541 1.00 1.00 O ATOM 450 CB GLU A 29 9.356 5.906 -20.735 1.00 1.00 C ATOM 451 CG GLU A 29 9.714 7.411 -20.726 1.00 1.00 C ATOM 452 CD GLU A 29 9.152 8.090 -21.990 1.00 1.00 C ATOM 453 OE1 GLU A 29 9.657 7.766 -23.054 1.00 1.00 O ATOM 454 OE2 GLU A 29 8.248 8.893 -21.823 1.00 1.00 O ATOM 0 H GLU A 29 11.792 6.102 -20.298 1.00 1.00 H new ATOM 0 HA GLU A 29 9.671 5.657 -18.612 1.00 1.00 H new ATOM 0 HB2 GLU A 29 9.687 5.450 -21.668 1.00 1.00 H new ATOM 0 HB3 GLU A 29 8.274 5.780 -20.685 1.00 1.00 H new ATOM 0 HG2 GLU A 29 9.304 7.886 -19.835 1.00 1.00 H new ATOM 0 HG3 GLU A 29 10.796 7.536 -20.686 1.00 1.00 H new ATOM 461 N LYS A 30 9.656 3.161 -18.320 1.00 1.00 N ATOM 462 CA LYS A 30 9.353 1.709 -18.115 1.00 1.00 C ATOM 463 C LYS A 30 7.945 1.446 -17.633 1.00 1.00 C ATOM 464 O LYS A 30 7.265 2.370 -17.238 1.00 1.00 O ATOM 465 CB LYS A 30 10.390 1.158 -17.100 1.00 1.00 C ATOM 466 CG LYS A 30 10.580 2.115 -15.910 1.00 1.00 C ATOM 467 CD LYS A 30 11.415 1.472 -14.769 1.00 1.00 C ATOM 468 CE LYS A 30 12.913 1.329 -15.122 1.00 1.00 C ATOM 469 NZ LYS A 30 13.135 0.290 -16.164 1.00 1.00 N ATOM 0 H LYS A 30 9.841 3.677 -17.460 1.00 1.00 H new ATOM 0 HA LYS A 30 9.423 1.202 -19.077 1.00 1.00 H new ATOM 0 HB2 LYS A 30 10.062 0.184 -16.736 1.00 1.00 H new ATOM 0 HB3 LYS A 30 11.346 1.006 -17.602 1.00 1.00 H new ATOM 0 HG2 LYS A 30 11.075 3.024 -16.252 1.00 1.00 H new ATOM 0 HG3 LYS A 30 9.604 2.409 -15.523 1.00 1.00 H new ATOM 0 HD2 LYS A 30 11.316 2.078 -13.868 1.00 1.00 H new ATOM 0 HD3 LYS A 30 11.007 0.488 -14.538 1.00 1.00 H new ATOM 0 HE2 LYS A 30 13.297 2.286 -15.475 1.00 1.00 H new ATOM 0 HE3 LYS A 30 13.476 1.071 -14.225 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 13.670 -0.503 -15.755 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 12.217 -0.054 -16.512 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 13.673 0.700 -16.954 1.00 1.00 H new ATOM 483 N ARG A 31 7.561 0.189 -17.677 1.00 1.00 N ATOM 484 CA ARG A 31 6.202 -0.198 -17.237 1.00 1.00 C ATOM 485 C ARG A 31 6.302 -1.078 -16.003 1.00 1.00 C ATOM 486 O ARG A 31 7.332 -1.679 -15.766 1.00 1.00 O ATOM 487 CB ARG A 31 5.472 -0.959 -18.364 1.00 1.00 C ATOM 488 CG ARG A 31 5.578 -0.211 -19.711 1.00 1.00 C ATOM 489 CD ARG A 31 5.031 1.227 -19.618 1.00 1.00 C ATOM 490 NE ARG A 31 5.397 1.940 -20.882 1.00 1.00 N ATOM 491 CZ ARG A 31 6.256 2.931 -20.880 1.00 1.00 C ATOM 492 NH1 ARG A 31 6.336 3.736 -19.854 1.00 1.00 N ATOM 493 NH2 ARG A 31 7.022 3.087 -21.924 1.00 1.00 N ATOM 0 H ARG A 31 8.143 -0.582 -18.003 1.00 1.00 H new ATOM 0 HA ARG A 31 5.635 0.702 -16.998 1.00 1.00 H new ATOM 0 HB2 ARG A 31 5.898 -1.957 -18.466 1.00 1.00 H new ATOM 0 HB3 ARG A 31 4.422 -1.086 -18.098 1.00 1.00 H new ATOM 0 HG2 ARG A 31 6.620 -0.182 -20.029 1.00 1.00 H new ATOM 0 HG3 ARG A 31 5.027 -0.760 -20.475 1.00 1.00 H new ATOM 0 HD2 ARG A 31 3.949 1.216 -19.485 1.00 1.00 H new ATOM 0 HD3 ARG A 31 5.453 1.741 -18.754 1.00 1.00 H new ATOM 0 HE ARG A 31 4.970 1.650 -21.762 1.00 1.00 H new ATOM 0 HH11 ARG A 31 5.728 3.596 -19.047 1.00 1.00 H new ATOM 0 HH12 ARG A 31 7.007 4.505 -19.860 1.00 1.00 H new ATOM 0 HH21 ARG A 31 6.944 2.447 -22.714 1.00 1.00 H new ATOM 0 HH22 ARG A 31 7.699 3.849 -21.950 1.00 1.00 H new ATOM 507 N CYS A 32 5.198 -1.117 -15.299 1.00 1.00 N ATOM 508 CA CYS A 32 5.044 -1.895 -14.031 1.00 1.00 C ATOM 509 C CYS A 32 4.669 -3.376 -14.080 1.00 1.00 C ATOM 510 O CYS A 32 3.563 -3.744 -14.428 1.00 1.00 O ATOM 511 CB CYS A 32 3.998 -1.183 -13.170 1.00 1.00 C ATOM 512 SG CYS A 32 4.485 0.160 -12.065 1.00 1.00 S ATOM 0 H CYS A 32 4.353 -0.613 -15.569 1.00 1.00 H new ATOM 0 HA CYS A 32 6.061 -1.915 -13.640 1.00 1.00 H new ATOM 0 HB2 CYS A 32 3.241 -0.786 -13.846 1.00 1.00 H new ATOM 0 HB3 CYS A 32 3.512 -1.943 -12.558 1.00 1.00 H new ATOM 517 N ARG A 33 5.634 -4.177 -13.718 1.00 1.00 N ATOM 518 CA ARG A 33 5.470 -5.649 -13.681 1.00 1.00 C ATOM 519 C ARG A 33 5.742 -6.076 -12.201 1.00 1.00 C ATOM 520 O ARG A 33 6.090 -5.216 -11.390 1.00 1.00 O ATOM 521 CB ARG A 33 6.499 -6.293 -14.646 1.00 1.00 C ATOM 522 CG ARG A 33 6.798 -5.413 -15.901 1.00 1.00 C ATOM 523 CD ARG A 33 5.559 -5.234 -16.801 1.00 1.00 C ATOM 524 NE ARG A 33 5.235 -6.550 -17.428 1.00 1.00 N ATOM 525 CZ ARG A 33 5.241 -6.669 -18.728 1.00 1.00 C ATOM 526 NH1 ARG A 33 6.362 -6.499 -19.376 1.00 1.00 N ATOM 527 NH2 ARG A 33 4.123 -6.953 -19.338 1.00 1.00 N ATOM 528 OXT ARG A 33 5.585 -7.260 -11.954 1.00 1.00 O ATOM 0 H ARG A 33 6.560 -3.854 -13.437 1.00 1.00 H new ATOM 0 HA ARG A 33 4.476 -5.969 -13.994 1.00 1.00 H new ATOM 0 HB2 ARG A 33 7.429 -6.474 -14.107 1.00 1.00 H new ATOM 0 HB3 ARG A 33 6.125 -7.264 -14.971 1.00 1.00 H new ATOM 0 HG2 ARG A 33 7.154 -4.435 -15.579 1.00 1.00 H new ATOM 0 HG3 ARG A 33 7.601 -5.870 -16.479 1.00 1.00 H new ATOM 0 HD2 ARG A 33 4.713 -4.875 -16.214 1.00 1.00 H new ATOM 0 HD3 ARG A 33 5.754 -4.486 -17.569 1.00 1.00 H new ATOM 0 HE ARG A 33 5.010 -7.354 -16.842 1.00 1.00 H new ATOM 0 HH11 ARG A 33 7.217 -6.277 -18.866 1.00 1.00 H new ATOM 0 HH12 ARG A 33 6.383 -6.589 -20.392 1.00 1.00 H new ATOM 0 HH21 ARG A 33 3.266 -7.078 -18.800 1.00 1.00 H new ATOM 0 HH22 ARG A 33 4.106 -7.050 -20.353 1.00 1.00 H new