USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 277 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 160:sc= -0.0283 (180deg=-0.376) USER MOD Single : A 6 HIS : no HD1:sc= -2 K(o=-2,f=-3.7!) USER MOD Single : A 8 LYS NZ :NH3+ 157:sc= -0.62 (180deg=-1.69) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 0.891 (180deg=0.874) USER MOD Single : A 13 ASN : amide:sc= -1.82 K(o=-1.8,f=-5.4!) USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= -0.0301 (180deg=-0.251) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.1 (180deg=-0.742) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0.143 (180deg=0.143) 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= -0.108 K(o=-0.11,f=-2.5!) USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.25) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.086 -1.867 -0.160 1.00 1.00 N ATOM 2 CA GLY A 1 1.962 -1.023 -1.384 1.00 1.00 C ATOM 3 C GLY A 1 3.334 -0.609 -1.886 1.00 1.00 C ATOM 4 O GLY A 1 3.601 0.534 -2.205 1.00 1.00 O ATOM 0 H1 GLY A 1 1.184 -1.861 0.358 1.00 1.00 H new ATOM 0 H2 GLY A 1 2.322 -2.842 -0.433 1.00 1.00 H new ATOM 0 H3 GLY A 1 2.838 -1.486 0.449 1.00 1.00 H new ATOM 0 HA2 GLY A 1 1.435 -1.576 -2.162 1.00 1.00 H new ATOM 0 HA3 GLY A 1 1.367 -0.137 -1.163 1.00 1.00 H new ATOM 10 N ASP A 2 4.139 -1.623 -1.924 1.00 1.00 N ATOM 11 CA ASP A 2 5.549 -1.545 -2.365 1.00 1.00 C ATOM 12 C ASP A 2 5.831 -2.425 -3.577 1.00 1.00 C ATOM 13 O ASP A 2 4.920 -2.852 -4.251 1.00 1.00 O ATOM 14 CB ASP A 2 6.417 -1.942 -1.175 1.00 1.00 C ATOM 15 CG ASP A 2 6.136 -3.398 -0.753 1.00 1.00 C ATOM 16 OD1 ASP A 2 6.705 -4.272 -1.390 1.00 1.00 O ATOM 17 OD2 ASP A 2 5.362 -3.553 0.177 1.00 1.00 O ATOM 0 H ASP A 2 3.855 -2.563 -1.648 1.00 1.00 H new ATOM 0 HA ASP A 2 5.776 -0.529 -2.688 1.00 1.00 H new ATOM 0 HB2 ASP A 2 7.470 -1.831 -1.434 1.00 1.00 H new ATOM 0 HB3 ASP A 2 6.222 -1.272 -0.338 1.00 1.00 H new ATOM 22 N CYS A 3 7.086 -2.685 -3.825 1.00 1.00 N ATOM 23 CA CYS A 3 7.449 -3.530 -4.992 1.00 1.00 C ATOM 24 C CYS A 3 7.318 -5.034 -4.686 1.00 1.00 C ATOM 25 O CYS A 3 8.289 -5.753 -4.546 1.00 1.00 O ATOM 26 CB CYS A 3 8.878 -3.155 -5.387 1.00 1.00 C ATOM 27 SG CYS A 3 9.222 -1.399 -5.668 1.00 1.00 S ATOM 0 H CYS A 3 7.872 -2.348 -3.270 1.00 1.00 H new ATOM 0 HA CYS A 3 6.761 -3.345 -5.817 1.00 1.00 H new ATOM 0 HB2 CYS A 3 9.549 -3.510 -4.605 1.00 1.00 H new ATOM 0 HB3 CYS A 3 9.131 -3.699 -6.297 1.00 1.00 H new ATOM 32 N LEU A 4 6.069 -5.424 -4.583 1.00 1.00 N ATOM 33 CA LEU A 4 5.630 -6.832 -4.301 1.00 1.00 C ATOM 34 C LEU A 4 6.380 -7.889 -5.155 1.00 1.00 C ATOM 35 O LEU A 4 7.115 -7.528 -6.054 1.00 1.00 O ATOM 36 CB LEU A 4 4.102 -6.882 -4.570 1.00 1.00 C ATOM 37 CG LEU A 4 3.268 -6.482 -3.316 1.00 1.00 C ATOM 38 CD1 LEU A 4 3.617 -5.080 -2.798 1.00 1.00 C ATOM 39 CD2 LEU A 4 1.791 -6.443 -3.733 1.00 1.00 C ATOM 0 H LEU A 4 5.286 -4.779 -4.690 1.00 1.00 H new ATOM 0 HA LEU A 4 5.867 -7.086 -3.268 1.00 1.00 H new ATOM 0 HB2 LEU A 4 3.858 -6.212 -5.395 1.00 1.00 H new ATOM 0 HB3 LEU A 4 3.823 -7.888 -4.883 1.00 1.00 H new ATOM 0 HG LEU A 4 3.480 -7.207 -2.530 1.00 1.00 H new ATOM 0 HD11 LEU A 4 3.007 -4.853 -1.924 1.00 1.00 H new ATOM 0 HD12 LEU A 4 4.671 -5.046 -2.523 1.00 1.00 H new ATOM 0 HD13 LEU A 4 3.421 -4.345 -3.578 1.00 1.00 H new ATOM 0 HD21 LEU A 4 1.178 -6.165 -2.876 1.00 1.00 H new ATOM 0 HD22 LEU A 4 1.657 -5.709 -4.528 1.00 1.00 H new ATOM 0 HD23 LEU A 4 1.488 -7.427 -4.092 1.00 1.00 H new ATOM 51 N PRO A 5 6.185 -9.163 -4.876 1.00 1.00 N ATOM 52 CA PRO A 5 6.696 -10.264 -5.751 1.00 1.00 C ATOM 53 C PRO A 5 6.012 -10.206 -7.127 1.00 1.00 C ATOM 54 O PRO A 5 5.386 -9.214 -7.453 1.00 1.00 O ATOM 55 CB PRO A 5 6.382 -11.538 -4.963 1.00 1.00 C ATOM 56 CG PRO A 5 5.105 -11.136 -4.185 1.00 1.00 C ATOM 57 CD PRO A 5 5.444 -9.716 -3.700 1.00 1.00 C ATOM 0 HA PRO A 5 7.762 -10.201 -5.971 1.00 1.00 H new ATOM 0 HB2 PRO A 5 6.207 -12.390 -5.620 1.00 1.00 H new ATOM 0 HB3 PRO A 5 7.197 -11.814 -4.293 1.00 1.00 H new ATOM 0 HG2 PRO A 5 4.221 -11.147 -4.823 1.00 1.00 H new ATOM 0 HG3 PRO A 5 4.907 -11.812 -3.354 1.00 1.00 H new ATOM 0 HD2 PRO A 5 4.549 -9.137 -3.471 1.00 1.00 H new ATOM 0 HD3 PRO A 5 6.056 -9.727 -2.798 1.00 1.00 H new ATOM 65 N HIS A 6 6.162 -11.263 -7.892 1.00 1.00 N ATOM 66 CA HIS A 6 5.541 -11.344 -9.260 1.00 1.00 C ATOM 67 C HIS A 6 4.081 -10.843 -9.228 1.00 1.00 C ATOM 68 O HIS A 6 3.492 -10.836 -8.169 1.00 1.00 O ATOM 69 CB HIS A 6 5.615 -12.819 -9.724 1.00 1.00 C ATOM 70 CG HIS A 6 4.918 -13.014 -11.080 1.00 1.00 C ATOM 71 ND1 HIS A 6 3.638 -13.048 -11.260 1.00 1.00 N ATOM 72 CD2 HIS A 6 5.442 -13.185 -12.349 1.00 1.00 C ATOM 73 CE1 HIS A 6 3.376 -13.224 -12.515 1.00 1.00 C ATOM 74 NE2 HIS A 6 4.470 -13.314 -13.230 1.00 1.00 N ATOM 0 H HIS A 6 6.698 -12.088 -7.623 1.00 1.00 H new ATOM 0 HA HIS A 6 6.080 -10.706 -9.960 1.00 1.00 H new ATOM 0 HB2 HIS A 6 6.658 -13.126 -9.801 1.00 1.00 H new ATOM 0 HB3 HIS A 6 5.148 -13.461 -8.977 1.00 1.00 H new ATOM 0 HD2 HIS A 6 6.496 -13.209 -12.584 1.00 1.00 H new ATOM 0 HE1 HIS A 6 2.378 -13.289 -12.923 1.00 1.00 H new ATOM 0 HE2 HIS A 6 4.551 -13.452 -14.237 1.00 1.00 H new ATOM 82 N LEU A 7 3.592 -10.471 -10.389 1.00 1.00 N ATOM 83 CA LEU A 7 2.212 -9.939 -10.668 1.00 1.00 C ATOM 84 C LEU A 7 1.088 -10.625 -9.855 1.00 1.00 C ATOM 85 O LEU A 7 0.235 -11.317 -10.379 1.00 1.00 O ATOM 86 CB LEU A 7 1.922 -10.109 -12.198 1.00 1.00 C ATOM 87 CG LEU A 7 3.130 -9.761 -13.125 1.00 1.00 C ATOM 88 CD1 LEU A 7 2.699 -9.953 -14.594 1.00 1.00 C ATOM 89 CD2 LEU A 7 3.607 -8.314 -12.925 1.00 1.00 C ATOM 0 H LEU A 7 4.156 -10.522 -11.238 1.00 1.00 H new ATOM 0 HA LEU A 7 2.206 -8.893 -10.361 1.00 1.00 H new ATOM 0 HB2 LEU A 7 1.620 -11.139 -12.386 1.00 1.00 H new ATOM 0 HB3 LEU A 7 1.078 -9.475 -12.468 1.00 1.00 H new ATOM 0 HG LEU A 7 3.957 -10.423 -12.870 1.00 1.00 H new ATOM 0 HD11 LEU A 7 3.534 -9.713 -15.252 1.00 1.00 H new ATOM 0 HD12 LEU A 7 2.398 -10.989 -14.752 1.00 1.00 H new ATOM 0 HD13 LEU A 7 1.860 -9.293 -14.816 1.00 1.00 H new ATOM 0 HD21 LEU A 7 4.448 -8.113 -13.588 1.00 1.00 H new ATOM 0 HD22 LEU A 7 2.792 -7.627 -13.154 1.00 1.00 H new ATOM 0 HD23 LEU A 7 3.920 -8.174 -11.890 1.00 1.00 H new ATOM 101 N LYS A 8 1.144 -10.390 -8.573 1.00 1.00 N ATOM 102 CA LYS A 8 0.170 -10.944 -7.594 1.00 1.00 C ATOM 103 C LYS A 8 -1.176 -10.253 -7.773 1.00 1.00 C ATOM 104 O LYS A 8 -1.254 -9.213 -8.401 1.00 1.00 O ATOM 105 CB LYS A 8 0.809 -10.703 -6.246 1.00 1.00 C ATOM 106 CG LYS A 8 0.091 -11.436 -5.105 1.00 1.00 C ATOM 107 CD LYS A 8 1.008 -11.412 -3.866 1.00 1.00 C ATOM 108 CE LYS A 8 1.369 -9.964 -3.512 1.00 1.00 C ATOM 109 NZ LYS A 8 0.141 -9.218 -3.113 1.00 1.00 N ATOM 0 H LYS A 8 1.863 -9.806 -8.146 1.00 1.00 H new ATOM 0 HA LYS A 8 -0.039 -12.006 -7.720 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.850 -11.025 -6.280 1.00 1.00 H new ATOM 0 HB3 LYS A 8 0.813 -9.633 -6.038 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -0.861 -10.954 -4.883 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -0.132 -12.463 -5.394 1.00 1.00 H new ATOM 0 HD2 LYS A 8 0.507 -11.888 -3.023 1.00 1.00 H new ATOM 0 HD3 LYS A 8 1.915 -11.984 -4.063 1.00 1.00 H new ATOM 0 HE2 LYS A 8 2.094 -9.949 -2.699 1.00 1.00 H new ATOM 0 HE3 LYS A 8 1.839 -9.478 -4.367 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.406 -8.405 -2.521 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -0.352 -8.881 -3.964 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -0.488 -9.847 -2.575 1.00 1.00 H new ATOM 123 N LEU A 9 -2.198 -10.849 -7.216 1.00 1.00 N ATOM 124 CA LEU A 9 -3.547 -10.281 -7.318 1.00 1.00 C ATOM 125 C LEU A 9 -3.611 -8.837 -6.811 1.00 1.00 C ATOM 126 O LEU A 9 -2.792 -8.418 -6.014 1.00 1.00 O ATOM 127 CB LEU A 9 -4.473 -11.186 -6.524 1.00 1.00 C ATOM 128 CG LEU A 9 -4.073 -11.328 -5.018 1.00 1.00 C ATOM 129 CD1 LEU A 9 -5.365 -11.387 -4.173 1.00 1.00 C ATOM 130 CD2 LEU A 9 -3.319 -12.662 -4.789 1.00 1.00 C ATOM 0 H LEU A 9 -2.139 -11.720 -6.689 1.00 1.00 H new ATOM 0 HA LEU A 9 -3.851 -10.235 -8.364 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -5.489 -10.796 -6.586 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -4.482 -12.174 -6.983 1.00 1.00 H new ATOM 0 HG LEU A 9 -3.442 -10.485 -4.739 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -5.106 -11.486 -3.119 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -5.939 -10.472 -4.321 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -5.963 -12.244 -4.482 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -3.046 -12.750 -3.737 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -3.963 -13.496 -5.067 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -2.417 -12.680 -5.401 1.00 1.00 H new ATOM 142 N CYS A 10 -4.596 -8.126 -7.296 1.00 1.00 N ATOM 143 CA CYS A 10 -4.782 -6.712 -6.903 1.00 1.00 C ATOM 144 C CYS A 10 -6.154 -6.164 -7.343 1.00 1.00 C ATOM 145 O CYS A 10 -6.965 -6.865 -7.921 1.00 1.00 O ATOM 146 CB CYS A 10 -3.619 -5.901 -7.545 1.00 1.00 C ATOM 147 SG CYS A 10 -3.646 -4.105 -7.361 1.00 1.00 S ATOM 0 H CYS A 10 -5.287 -8.479 -7.958 1.00 1.00 H new ATOM 0 HA CYS A 10 -4.763 -6.623 -5.817 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -2.683 -6.267 -7.124 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -3.600 -6.129 -8.611 1.00 1.00 H new ATOM 152 N LYS A 11 -6.349 -4.909 -7.020 1.00 1.00 N ATOM 153 CA LYS A 11 -7.588 -4.148 -7.351 1.00 1.00 C ATOM 154 C LYS A 11 -7.342 -2.627 -7.526 1.00 1.00 C ATOM 155 O LYS A 11 -8.094 -1.977 -8.226 1.00 1.00 O ATOM 156 CB LYS A 11 -8.715 -4.395 -6.263 1.00 1.00 C ATOM 157 CG LYS A 11 -8.809 -3.477 -4.995 1.00 1.00 C ATOM 158 CD LYS A 11 -7.933 -4.016 -3.857 1.00 1.00 C ATOM 159 CE LYS A 11 -6.493 -3.810 -4.243 1.00 1.00 C ATOM 160 NZ LYS A 11 -5.664 -4.962 -3.824 1.00 1.00 N ATOM 0 H LYS A 11 -5.659 -4.356 -6.513 1.00 1.00 H new ATOM 0 HA LYS A 11 -7.926 -4.529 -8.315 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -9.675 -4.336 -6.775 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -8.604 -5.420 -5.911 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -8.496 -2.465 -5.251 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -9.845 -3.416 -4.663 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -8.156 -3.496 -2.925 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -8.135 -5.074 -3.688 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -6.417 -3.676 -5.322 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -6.115 -2.898 -3.781 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -4.685 -4.820 -4.145 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -5.680 -5.042 -2.787 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -6.044 -5.834 -4.244 1.00 1.00 H new ATOM 174 N GLU A 12 -6.314 -2.100 -6.896 1.00 1.00 N ATOM 175 CA GLU A 12 -5.968 -0.642 -6.985 1.00 1.00 C ATOM 176 C GLU A 12 -4.456 -0.503 -7.254 1.00 1.00 C ATOM 177 O GLU A 12 -3.686 -1.377 -6.909 1.00 1.00 O ATOM 178 CB GLU A 12 -6.346 0.031 -5.650 1.00 1.00 C ATOM 179 CG GLU A 12 -6.005 1.542 -5.694 1.00 1.00 C ATOM 180 CD GLU A 12 -6.382 2.214 -4.361 1.00 1.00 C ATOM 181 OE1 GLU A 12 -5.807 1.814 -3.361 1.00 1.00 O ATOM 182 OE2 GLU A 12 -7.225 3.094 -4.413 1.00 1.00 O ATOM 0 H GLU A 12 -5.681 -2.639 -6.305 1.00 1.00 H new ATOM 0 HA GLU A 12 -6.514 -0.161 -7.797 1.00 1.00 H new ATOM 0 HB2 GLU A 12 -7.410 -0.103 -5.456 1.00 1.00 H new ATOM 0 HB3 GLU A 12 -5.810 -0.446 -4.830 1.00 1.00 H new ATOM 0 HG2 GLU A 12 -4.941 1.676 -5.888 1.00 1.00 H new ATOM 0 HG3 GLU A 12 -6.542 2.019 -6.514 1.00 1.00 H new ATOM 189 N ASN A 13 -4.069 0.594 -7.854 1.00 1.00 N ATOM 190 CA ASN A 13 -2.629 0.845 -8.171 1.00 1.00 C ATOM 191 C ASN A 13 -1.711 0.793 -6.927 1.00 1.00 C ATOM 192 O ASN A 13 -0.700 0.115 -6.949 1.00 1.00 O ATOM 193 CB ASN A 13 -2.556 2.218 -8.881 1.00 1.00 C ATOM 194 CG ASN A 13 -3.035 3.352 -7.974 1.00 1.00 C ATOM 195 OD1 ASN A 13 -2.264 3.934 -7.239 1.00 1.00 O ATOM 196 ND2 ASN A 13 -4.294 3.691 -7.990 1.00 1.00 N ATOM 0 H ASN A 13 -4.702 1.340 -8.143 1.00 1.00 H new ATOM 0 HA ASN A 13 -2.256 0.050 -8.817 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -1.530 2.411 -9.194 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -3.165 2.193 -9.784 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -4.627 4.443 -7.386 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -4.945 3.205 -8.606 1.00 1.00 H new ATOM 203 N LYS A 14 -2.099 1.495 -5.885 1.00 1.00 N ATOM 204 CA LYS A 14 -1.312 1.548 -4.601 1.00 1.00 C ATOM 205 C LYS A 14 -0.693 0.195 -4.227 1.00 1.00 C ATOM 206 O LYS A 14 0.387 0.144 -3.670 1.00 1.00 O ATOM 207 CB LYS A 14 -2.242 2.010 -3.443 1.00 1.00 C ATOM 208 CG LYS A 14 -1.997 3.493 -3.047 1.00 1.00 C ATOM 209 CD LYS A 14 -2.265 4.488 -4.202 1.00 1.00 C ATOM 210 CE LYS A 14 -3.738 4.436 -4.665 1.00 1.00 C ATOM 211 NZ LYS A 14 -4.653 4.781 -3.540 1.00 1.00 N ATOM 0 H LYS A 14 -2.954 2.051 -5.869 1.00 1.00 H new ATOM 0 HA LYS A 14 -0.496 2.254 -4.756 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.282 1.883 -3.743 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -2.081 1.372 -2.574 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.638 3.747 -2.202 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -0.966 3.606 -2.711 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.021 5.499 -3.876 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -1.610 4.257 -5.042 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -3.890 5.131 -5.491 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -3.972 3.439 -5.039 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -5.547 5.152 -3.921 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -4.845 3.929 -2.975 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -4.207 5.503 -2.938 1.00 1.00 H new ATOM 225 N ASP A 15 -1.423 -0.839 -4.560 1.00 1.00 N ATOM 226 CA ASP A 15 -1.018 -2.255 -4.294 1.00 1.00 C ATOM 227 C ASP A 15 0.483 -2.490 -4.525 1.00 1.00 C ATOM 228 O ASP A 15 1.116 -3.198 -3.765 1.00 1.00 O ATOM 229 CB ASP A 15 -1.880 -3.145 -5.207 1.00 1.00 C ATOM 230 CG ASP A 15 -1.813 -4.636 -4.815 1.00 1.00 C ATOM 231 OD1 ASP A 15 -0.742 -5.201 -4.941 1.00 1.00 O ATOM 232 OD2 ASP A 15 -2.850 -5.136 -4.408 1.00 1.00 O ATOM 0 H ASP A 15 -2.326 -0.754 -5.027 1.00 1.00 H new ATOM 0 HA ASP A 15 -1.184 -2.500 -3.245 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -2.916 -2.808 -5.164 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -1.549 -3.029 -6.239 1.00 1.00 H new ATOM 237 N CYS A 16 0.996 -1.893 -5.571 1.00 1.00 N ATOM 238 CA CYS A 16 2.438 -2.024 -5.916 1.00 1.00 C ATOM 239 C CYS A 16 3.134 -0.657 -5.987 1.00 1.00 C ATOM 240 O CYS A 16 2.478 0.336 -6.229 1.00 1.00 O ATOM 241 CB CYS A 16 2.553 -2.713 -7.268 1.00 1.00 C ATOM 242 SG CYS A 16 2.920 -4.488 -7.246 1.00 1.00 S ATOM 0 H CYS A 16 0.461 -1.308 -6.212 1.00 1.00 H new ATOM 0 HA CYS A 16 2.927 -2.607 -5.136 1.00 1.00 H new ATOM 0 HB2 CYS A 16 1.617 -2.565 -7.806 1.00 1.00 H new ATOM 0 HB3 CYS A 16 3.333 -2.211 -7.841 1.00 1.00 H new ATOM 247 N CYS A 17 4.432 -0.639 -5.775 1.00 1.00 N ATOM 248 CA CYS A 17 5.227 0.607 -5.830 1.00 1.00 C ATOM 249 C CYS A 17 5.120 1.146 -7.266 1.00 1.00 C ATOM 250 O CYS A 17 5.075 2.340 -7.494 1.00 1.00 O ATOM 251 CB CYS A 17 6.665 0.262 -5.497 1.00 1.00 C ATOM 252 SG CYS A 17 7.643 -0.676 -6.703 1.00 1.00 S ATOM 0 H CYS A 17 4.980 -1.472 -5.560 1.00 1.00 H new ATOM 0 HA CYS A 17 4.871 1.357 -5.124 1.00 1.00 H new ATOM 0 HB2 CYS A 17 7.191 1.196 -5.301 1.00 1.00 H new ATOM 0 HB3 CYS A 17 6.661 -0.303 -4.565 1.00 1.00 H new ATOM 257 N SER A 18 5.082 0.208 -8.184 1.00 1.00 N ATOM 258 CA SER A 18 4.981 0.495 -9.632 1.00 1.00 C ATOM 259 C SER A 18 3.592 1.045 -9.989 1.00 1.00 C ATOM 260 O SER A 18 3.370 1.504 -11.092 1.00 1.00 O ATOM 261 CB SER A 18 5.259 -0.806 -10.378 1.00 1.00 C ATOM 262 OG SER A 18 6.594 -1.136 -10.021 1.00 1.00 O ATOM 0 H SER A 18 5.119 -0.788 -7.966 1.00 1.00 H new ATOM 0 HA SER A 18 5.705 1.258 -9.917 1.00 1.00 H new ATOM 0 HB2 SER A 18 4.563 -1.591 -10.083 1.00 1.00 H new ATOM 0 HB3 SER A 18 5.155 -0.677 -11.455 1.00 1.00 H new ATOM 0 HG SER A 18 6.854 -1.971 -10.463 1.00 1.00 H new ATOM 268 N LYS A 19 2.714 0.973 -9.018 1.00 1.00 N ATOM 269 CA LYS A 19 1.305 1.448 -9.135 1.00 1.00 C ATOM 270 C LYS A 19 0.628 1.282 -10.504 1.00 1.00 C ATOM 271 O LYS A 19 -0.006 2.186 -11.015 1.00 1.00 O ATOM 272 CB LYS A 19 1.297 2.935 -8.696 1.00 1.00 C ATOM 273 CG LYS A 19 1.630 2.954 -7.204 1.00 1.00 C ATOM 274 CD LYS A 19 1.700 4.378 -6.662 1.00 1.00 C ATOM 275 CE LYS A 19 1.925 4.295 -5.141 1.00 1.00 C ATOM 276 NZ LYS A 19 3.129 3.464 -4.838 1.00 1.00 N ATOM 0 H LYS A 19 2.934 0.582 -8.102 1.00 1.00 H new ATOM 0 HA LYS A 19 0.702 0.804 -8.495 1.00 1.00 H new ATOM 0 HB2 LYS A 19 2.029 3.510 -9.263 1.00 1.00 H new ATOM 0 HB3 LYS A 19 0.323 3.388 -8.881 1.00 1.00 H new ATOM 0 HG2 LYS A 19 0.875 2.392 -6.655 1.00 1.00 H new ATOM 0 HG3 LYS A 19 2.584 2.453 -7.037 1.00 1.00 H new ATOM 0 HD2 LYS A 19 2.512 4.928 -7.138 1.00 1.00 H new ATOM 0 HD3 LYS A 19 0.778 4.916 -6.883 1.00 1.00 H new ATOM 0 HE2 LYS A 19 2.054 5.297 -4.731 1.00 1.00 H new ATOM 0 HE3 LYS A 19 1.047 3.864 -4.660 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 3.459 3.670 -3.874 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 2.883 2.456 -4.912 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 3.884 3.686 -5.517 1.00 1.00 H new ATOM 290 N LYS A 20 0.800 0.107 -11.054 1.00 1.00 N ATOM 291 CA LYS A 20 0.192 -0.212 -12.377 1.00 1.00 C ATOM 292 C LYS A 20 -0.529 -1.543 -12.168 1.00 1.00 C ATOM 293 O LYS A 20 -0.143 -2.591 -12.641 1.00 1.00 O ATOM 294 CB LYS A 20 1.316 -0.300 -13.459 1.00 1.00 C ATOM 295 CG LYS A 20 1.791 1.117 -13.878 1.00 1.00 C ATOM 296 CD LYS A 20 0.989 1.671 -15.094 1.00 1.00 C ATOM 297 CE LYS A 20 -0.516 1.864 -14.811 1.00 1.00 C ATOM 298 NZ LYS A 20 -0.721 2.799 -13.667 1.00 1.00 N ATOM 0 H LYS A 20 1.341 -0.651 -10.637 1.00 1.00 H new ATOM 0 HA LYS A 20 -0.506 0.547 -12.730 1.00 1.00 H new ATOM 0 HB2 LYS A 20 2.159 -0.870 -13.068 1.00 1.00 H new ATOM 0 HB3 LYS A 20 0.945 -0.837 -14.332 1.00 1.00 H new ATOM 0 HG2 LYS A 20 1.685 1.798 -13.034 1.00 1.00 H new ATOM 0 HG3 LYS A 20 2.851 1.084 -14.129 1.00 1.00 H new ATOM 0 HD2 LYS A 20 1.418 2.627 -15.396 1.00 1.00 H new ATOM 0 HD3 LYS A 20 1.106 0.989 -15.936 1.00 1.00 H new ATOM 0 HE2 LYS A 20 -1.011 2.255 -15.700 1.00 1.00 H new ATOM 0 HE3 LYS A 20 -0.976 0.901 -14.587 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 -1.740 2.916 -13.492 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 -0.266 2.411 -12.816 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 -0.301 3.723 -13.894 1.00 1.00 H new ATOM 312 N CYS A 21 -1.598 -1.431 -11.428 1.00 1.00 N ATOM 313 CA CYS A 21 -2.451 -2.611 -11.099 1.00 1.00 C ATOM 314 C CYS A 21 -3.406 -2.717 -12.291 1.00 1.00 C ATOM 315 O CYS A 21 -4.154 -1.788 -12.530 1.00 1.00 O ATOM 316 CB CYS A 21 -3.163 -2.291 -9.788 1.00 1.00 C ATOM 317 SG CYS A 21 -4.406 -3.407 -9.095 1.00 1.00 S ATOM 0 H CYS A 21 -1.924 -0.551 -11.028 1.00 1.00 H new ATOM 0 HA CYS A 21 -1.925 -3.555 -10.957 1.00 1.00 H new ATOM 0 HB2 CYS A 21 -2.390 -2.166 -9.029 1.00 1.00 H new ATOM 0 HB3 CYS A 21 -3.643 -1.321 -9.916 1.00 1.00 H new ATOM 322 N LYS A 22 -3.362 -3.824 -13.003 1.00 1.00 N ATOM 323 CA LYS A 22 -4.281 -3.965 -14.200 1.00 1.00 C ATOM 324 C LYS A 22 -5.091 -5.259 -14.301 1.00 1.00 C ATOM 325 O LYS A 22 -4.613 -6.327 -13.977 1.00 1.00 O ATOM 326 CB LYS A 22 -3.471 -3.861 -15.492 1.00 1.00 C ATOM 327 CG LYS A 22 -2.695 -2.522 -15.617 1.00 1.00 C ATOM 328 CD LYS A 22 -3.647 -1.300 -15.740 1.00 1.00 C ATOM 329 CE LYS A 22 -4.555 -1.430 -16.982 1.00 1.00 C ATOM 330 NZ LYS A 22 -5.383 -0.200 -17.131 1.00 1.00 N ATOM 0 H LYS A 22 -2.750 -4.619 -12.820 1.00 1.00 H new ATOM 0 HA LYS A 22 -4.998 -3.156 -14.056 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -2.764 -4.690 -15.539 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -4.142 -3.966 -16.344 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -2.053 -2.394 -14.746 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -2.043 -2.562 -16.490 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -4.261 -1.221 -14.843 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -3.061 -0.383 -15.807 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -3.947 -1.581 -17.874 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -5.199 -2.304 -16.883 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -5.993 -0.291 -17.968 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -5.974 -0.075 -16.284 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -4.761 0.626 -17.244 1.00 1.00 H new ATOM 344 N ARG A 23 -6.311 -5.092 -14.756 1.00 1.00 N ATOM 345 CA ARG A 23 -7.259 -6.210 -14.939 1.00 1.00 C ATOM 346 C ARG A 23 -7.825 -6.170 -16.369 1.00 1.00 C ATOM 347 O ARG A 23 -8.540 -5.258 -16.738 1.00 1.00 O ATOM 348 CB ARG A 23 -8.431 -6.108 -13.886 1.00 1.00 C ATOM 349 CG ARG A 23 -9.537 -7.066 -14.292 1.00 1.00 C ATOM 350 CD ARG A 23 -9.036 -8.512 -14.616 1.00 1.00 C ATOM 351 NE ARG A 23 -8.012 -8.952 -13.627 1.00 1.00 N ATOM 352 CZ ARG A 23 -6.961 -9.614 -14.045 1.00 1.00 C ATOM 353 NH1 ARG A 23 -7.140 -10.793 -14.575 1.00 1.00 N ATOM 354 NH2 ARG A 23 -5.769 -9.096 -13.926 1.00 1.00 N ATOM 0 H ARG A 23 -6.692 -4.182 -15.015 1.00 1.00 H new ATOM 0 HA ARG A 23 -6.737 -7.154 -14.784 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -8.065 -6.354 -12.889 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -8.812 -5.088 -13.843 1.00 1.00 H new ATOM 0 HG2 ARG A 23 -10.272 -7.118 -13.489 1.00 1.00 H new ATOM 0 HG3 ARG A 23 -10.049 -6.665 -15.167 1.00 1.00 H new ATOM 0 HD2 ARG A 23 -9.878 -9.204 -14.606 1.00 1.00 H new ATOM 0 HD3 ARG A 23 -8.613 -8.539 -15.620 1.00 1.00 H new ATOM 0 HE ARG A 23 -8.128 -8.740 -12.636 1.00 1.00 H new ATOM 0 HH11 ARG A 23 -8.081 -11.178 -14.656 1.00 1.00 H new ATOM 0 HH12 ARG A 23 -6.339 -11.329 -14.908 1.00 1.00 H new ATOM 0 HH21 ARG A 23 -5.653 -8.173 -13.507 1.00 1.00 H new ATOM 0 HH22 ARG A 23 -4.953 -9.614 -14.252 1.00 1.00 H new ATOM 368 N ARG A 24 -7.465 -7.180 -17.116 1.00 1.00 N ATOM 369 CA ARG A 24 -7.911 -7.339 -18.531 1.00 1.00 C ATOM 370 C ARG A 24 -8.622 -8.698 -18.589 1.00 1.00 C ATOM 371 O ARG A 24 -8.322 -9.582 -19.369 1.00 1.00 O ATOM 372 CB ARG A 24 -6.660 -7.286 -19.471 1.00 1.00 C ATOM 373 CG ARG A 24 -5.517 -8.254 -19.025 1.00 1.00 C ATOM 374 CD ARG A 24 -4.618 -7.636 -17.922 1.00 1.00 C ATOM 375 NE ARG A 24 -3.942 -6.427 -18.485 1.00 1.00 N ATOM 376 CZ ARG A 24 -2.640 -6.390 -18.588 1.00 1.00 C ATOM 377 NH1 ARG A 24 -2.041 -7.267 -19.346 1.00 1.00 N ATOM 378 NH2 ARG A 24 -1.980 -5.477 -17.932 1.00 1.00 N ATOM 0 H ARG A 24 -6.856 -7.930 -16.789 1.00 1.00 H new ATOM 0 HA ARG A 24 -8.585 -6.548 -18.860 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -6.965 -7.537 -20.487 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -6.275 -6.266 -19.497 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -5.953 -9.182 -18.657 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -4.904 -8.511 -19.889 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -5.217 -7.365 -17.053 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -3.878 -8.362 -17.585 1.00 1.00 H new ATOM 0 HE ARG A 24 -4.499 -5.629 -18.790 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -2.589 -7.967 -19.847 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -1.025 -7.253 -19.438 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -2.480 -4.806 -17.349 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -0.963 -5.434 -18.001 1.00 1.00 H new ATOM 392 N GLY A 25 -9.575 -8.764 -17.699 1.00 1.00 N ATOM 393 CA GLY A 25 -10.452 -9.921 -17.474 1.00 1.00 C ATOM 394 C GLY A 25 -11.878 -9.488 -17.156 1.00 1.00 C ATOM 395 O GLY A 25 -12.268 -8.359 -17.385 1.00 1.00 O ATOM 0 H GLY A 25 -9.785 -7.986 -17.074 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -10.453 -10.556 -18.360 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -10.061 -10.521 -16.652 1.00 1.00 H new ATOM 399 N THR A 26 -12.604 -10.435 -16.626 1.00 1.00 N ATOM 400 CA THR A 26 -14.021 -10.223 -16.238 1.00 1.00 C ATOM 401 C THR A 26 -14.034 -9.830 -14.760 1.00 1.00 C ATOM 402 O THR A 26 -14.554 -8.791 -14.399 1.00 1.00 O ATOM 403 CB THR A 26 -14.806 -11.535 -16.466 1.00 1.00 C ATOM 404 OG1 THR A 26 -14.675 -11.815 -17.854 1.00 1.00 O ATOM 405 CG2 THR A 26 -16.319 -11.327 -16.264 1.00 1.00 C ATOM 0 H THR A 26 -12.258 -11.377 -16.442 1.00 1.00 H new ATOM 0 HA THR A 26 -14.489 -9.439 -16.833 1.00 1.00 H new ATOM 0 HB THR A 26 -14.434 -12.302 -15.786 1.00 1.00 H new ATOM 0 HG1 THR A 26 -15.153 -12.643 -18.067 1.00 1.00 H new ATOM 0 HG21 THR A 26 -16.841 -12.269 -16.432 1.00 1.00 H new ATOM 0 HG22 THR A 26 -16.507 -10.984 -15.246 1.00 1.00 H new ATOM 0 HG23 THR A 26 -16.681 -10.580 -16.971 1.00 1.00 H new ATOM 413 N ASN A 27 -13.455 -10.683 -13.955 1.00 1.00 N ATOM 414 CA ASN A 27 -13.391 -10.418 -12.479 1.00 1.00 C ATOM 415 C ASN A 27 -12.400 -9.265 -12.271 1.00 1.00 C ATOM 416 O ASN A 27 -11.521 -9.091 -13.090 1.00 1.00 O ATOM 417 CB ASN A 27 -12.886 -11.670 -11.745 1.00 1.00 C ATOM 418 CG ASN A 27 -13.848 -12.844 -11.961 1.00 1.00 C ATOM 419 OD1 ASN A 27 -14.100 -13.270 -13.071 1.00 1.00 O ATOM 420 ND2 ASN A 27 -14.407 -13.396 -10.918 1.00 1.00 N ATOM 0 H ASN A 27 -13.021 -11.556 -14.254 1.00 1.00 H new ATOM 0 HA ASN A 27 -14.376 -10.164 -12.088 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -11.893 -11.935 -12.107 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -12.792 -11.461 -10.679 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -15.050 -14.179 -11.038 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -14.201 -13.044 -9.983 1.00 1.00 H new ATOM 427 N ILE A 28 -12.538 -8.510 -11.211 1.00 1.00 N ATOM 428 CA ILE A 28 -11.575 -7.379 -10.995 1.00 1.00 C ATOM 429 C ILE A 28 -10.191 -7.854 -10.621 1.00 1.00 C ATOM 430 O ILE A 28 -9.268 -7.122 -10.898 1.00 1.00 O ATOM 431 CB ILE A 28 -12.033 -6.436 -9.875 1.00 1.00 C ATOM 432 CG1 ILE A 28 -13.452 -5.939 -10.164 1.00 1.00 C ATOM 433 CG2 ILE A 28 -11.023 -5.220 -9.773 1.00 1.00 C ATOM 434 CD1 ILE A 28 -13.501 -5.067 -11.413 1.00 1.00 C ATOM 0 H ILE A 28 -13.258 -8.620 -10.497 1.00 1.00 H new ATOM 0 HA ILE A 28 -11.548 -6.859 -11.952 1.00 1.00 H new ATOM 0 HB ILE A 28 -12.043 -6.968 -8.924 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -14.118 -6.793 -10.290 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -13.820 -5.371 -9.309 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -11.344 -4.546 -8.978 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.024 -5.595 -9.550 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -11.005 -4.681 -10.720 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -14.525 -4.734 -11.584 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -12.855 -4.199 -11.277 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -13.158 -5.643 -12.273 1.00 1.00 H new ATOM 446 N GLU A 29 -10.136 -9.032 -10.041 1.00 1.00 N ATOM 447 CA GLU A 29 -8.883 -9.726 -9.557 1.00 1.00 C ATOM 448 C GLU A 29 -7.733 -9.443 -10.533 1.00 1.00 C ATOM 449 O GLU A 29 -7.320 -10.231 -11.360 1.00 1.00 O ATOM 450 CB GLU A 29 -9.204 -11.233 -9.469 1.00 1.00 C ATOM 451 CG GLU A 29 -10.517 -11.432 -8.658 1.00 1.00 C ATOM 452 CD GLU A 29 -10.810 -12.935 -8.491 1.00 1.00 C ATOM 453 OE1 GLU A 29 -10.024 -13.574 -7.810 1.00 1.00 O ATOM 454 OE2 GLU A 29 -11.805 -13.363 -9.057 1.00 1.00 O ATOM 0 H GLU A 29 -10.976 -9.585 -9.870 1.00 1.00 H new ATOM 0 HA GLU A 29 -8.570 -9.363 -8.578 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -9.314 -11.652 -10.469 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -8.382 -11.764 -8.989 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -10.425 -10.960 -7.680 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -11.348 -10.946 -9.170 1.00 1.00 H new ATOM 461 N LYS A 30 -7.292 -8.239 -10.296 1.00 1.00 N ATOM 462 CA LYS A 30 -6.208 -7.502 -10.994 1.00 1.00 C ATOM 463 C LYS A 30 -4.832 -8.052 -10.699 1.00 1.00 C ATOM 464 O LYS A 30 -4.684 -8.873 -9.820 1.00 1.00 O ATOM 465 CB LYS A 30 -6.393 -6.045 -10.520 1.00 1.00 C ATOM 466 CG LYS A 30 -6.024 -4.987 -11.512 1.00 1.00 C ATOM 467 CD LYS A 30 -6.616 -3.636 -11.052 1.00 1.00 C ATOM 468 CE LYS A 30 -8.097 -3.532 -11.456 1.00 1.00 C ATOM 469 NZ LYS A 30 -8.673 -2.254 -10.951 1.00 1.00 N ATOM 0 H LYS A 30 -7.700 -7.676 -9.549 1.00 1.00 H new ATOM 0 HA LYS A 30 -6.276 -7.595 -12.078 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -7.436 -5.904 -10.238 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -5.796 -5.897 -9.620 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -4.940 -4.913 -11.598 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.405 -5.248 -12.499 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -6.520 -3.539 -9.971 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -6.053 -2.815 -11.496 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -8.191 -3.580 -12.541 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -8.654 -4.377 -11.051 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -9.678 -2.199 -11.213 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -8.583 -2.218 -9.916 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -8.161 -1.452 -11.371 1.00 1.00 H new ATOM 483 N ARG A 31 -3.873 -7.582 -11.454 1.00 1.00 N ATOM 484 CA ARG A 31 -2.483 -8.027 -11.257 1.00 1.00 C ATOM 485 C ARG A 31 -1.644 -6.797 -10.935 1.00 1.00 C ATOM 486 O ARG A 31 -2.044 -5.677 -11.204 1.00 1.00 O ATOM 487 CB ARG A 31 -1.933 -8.734 -12.509 1.00 1.00 C ATOM 488 CG ARG A 31 -2.017 -7.929 -13.811 1.00 1.00 C ATOM 489 CD ARG A 31 -0.920 -8.502 -14.718 1.00 1.00 C ATOM 490 NE ARG A 31 -1.246 -8.207 -16.147 1.00 1.00 N ATOM 491 CZ ARG A 31 -1.363 -9.192 -16.997 1.00 1.00 C ATOM 492 NH1 ARG A 31 -2.297 -10.084 -16.807 1.00 1.00 N ATOM 493 NH2 ARG A 31 -0.543 -9.256 -18.009 1.00 1.00 N ATOM 0 H ARG A 31 -4.006 -6.903 -12.203 1.00 1.00 H new ATOM 0 HA ARG A 31 -2.443 -8.748 -10.441 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -0.890 -8.994 -12.329 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -2.476 -9.669 -12.645 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -3.000 -8.029 -14.272 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -1.859 -6.866 -13.627 1.00 1.00 H new ATOM 0 HD2 ARG A 31 0.045 -8.067 -14.457 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -0.836 -9.578 -14.568 1.00 1.00 H new ATOM 0 HE ARG A 31 -1.376 -7.244 -16.456 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -2.922 -10.005 -16.004 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -2.402 -10.860 -17.461 1.00 1.00 H new ATOM 0 HH21 ARG A 31 0.177 -8.543 -18.128 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -0.621 -10.019 -18.681 1.00 1.00 H new ATOM 507 N CYS A 32 -0.494 -7.097 -10.389 1.00 1.00 N ATOM 508 CA CYS A 32 0.504 -6.076 -9.956 1.00 1.00 C ATOM 509 C CYS A 32 1.630 -5.732 -10.937 1.00 1.00 C ATOM 510 O CYS A 32 2.647 -6.398 -10.967 1.00 1.00 O ATOM 511 CB CYS A 32 1.114 -6.574 -8.616 1.00 1.00 C ATOM 512 SG CYS A 32 1.147 -5.457 -7.190 1.00 1.00 S ATOM 0 H CYS A 32 -0.194 -8.057 -10.219 1.00 1.00 H new ATOM 0 HA CYS A 32 -0.046 -5.139 -9.874 1.00 1.00 H new ATOM 0 HB2 CYS A 32 0.567 -7.469 -8.319 1.00 1.00 H new ATOM 0 HB3 CYS A 32 2.141 -6.880 -8.817 1.00 1.00 H new ATOM 517 N ARG A 33 1.425 -4.700 -11.715 1.00 1.00 N ATOM 518 CA ARG A 33 2.465 -4.281 -12.699 1.00 1.00 C ATOM 519 C ARG A 33 3.084 -2.941 -12.233 1.00 1.00 C ATOM 520 O ARG A 33 2.532 -2.343 -11.314 1.00 1.00 O ATOM 521 CB ARG A 33 1.823 -4.100 -14.073 1.00 1.00 C ATOM 522 CG ARG A 33 0.845 -5.249 -14.314 1.00 1.00 C ATOM 523 CD ARG A 33 0.289 -5.171 -15.713 1.00 1.00 C ATOM 524 NE ARG A 33 1.382 -5.465 -16.684 1.00 1.00 N ATOM 525 CZ ARG A 33 1.313 -6.540 -17.421 1.00 1.00 C ATOM 526 NH1 ARG A 33 1.758 -7.663 -16.929 1.00 1.00 N ATOM 527 NH2 ARG A 33 0.803 -6.459 -18.618 1.00 1.00 N ATOM 528 OXT ARG A 33 4.085 -2.583 -12.832 1.00 1.00 O ATOM 0 H ARG A 33 0.580 -4.129 -11.710 1.00 1.00 H new ATOM 0 HA ARG A 33 3.242 -5.043 -12.765 1.00 1.00 H new ATOM 0 HB2 ARG A 33 1.302 -3.144 -14.123 1.00 1.00 H new ATOM 0 HB3 ARG A 33 2.589 -4.087 -14.849 1.00 1.00 H new ATOM 0 HG2 ARG A 33 1.350 -6.204 -14.168 1.00 1.00 H new ATOM 0 HG3 ARG A 33 0.033 -5.204 -13.588 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -0.526 -5.885 -15.835 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -0.125 -4.180 -15.900 1.00 1.00 H new ATOM 0 HE ARG A 33 2.177 -4.831 -16.771 1.00 1.00 H new ATOM 0 HH11 ARG A 33 2.149 -7.688 -15.987 1.00 1.00 H new ATOM 0 HH12 ARG A 33 1.715 -8.516 -17.486 1.00 1.00 H new ATOM 0 HH21 ARG A 33 0.464 -5.563 -18.968 1.00 1.00 H new ATOM 0 HH22 ARG A 33 0.743 -7.292 -19.204 1.00 1.00 H new TER 542 ARG A 33