USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=9 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 Single : A 6 HIS : no HD1:sc= -3.35! C(o=-3.3!,f=-6.5!) USER MOD Single : A 8 LYS NZ :NH3+ 132:sc= -0.567 (180deg=-2.35!) USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= -3.81! (180deg=-4.27!) USER MOD Single : A 13 ASN : amide:sc= -2.82 K(o=-2.8,f=-6.4!) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= -0.0238 (180deg=-0.158) USER MOD Single : A 18 SER OG : rot -28:sc= 0.456 USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= -0.0905 (180deg=-0.729) USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.04 (180deg=-0.476) USER MOD Single : A 22 LYS NZ :NH3+ -122:sc= -0.424 (180deg=-2.67!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 133:sc= -1.07 (180deg=-3!) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 0.940 -1.293 -3.371 1.00 1.00 N ATOM 11 CA ASP A 2 1.801 -2.371 -3.902 1.00 1.00 C ATOM 12 C ASP A 2 1.909 -2.318 -5.429 1.00 1.00 C ATOM 13 O ASP A 2 1.505 -3.223 -6.134 1.00 1.00 O ATOM 14 CB ASP A 2 1.222 -3.727 -3.436 1.00 1.00 C ATOM 15 CG ASP A 2 -0.322 -3.772 -3.494 1.00 1.00 C ATOM 16 OD1 ASP A 2 -0.862 -3.448 -4.535 1.00 1.00 O ATOM 17 OD2 ASP A 2 -0.887 -4.135 -2.476 1.00 1.00 O ATOM 0 HA ASP A 2 2.813 -2.242 -3.518 1.00 1.00 H new ATOM 0 HB2 ASP A 2 1.628 -4.523 -4.060 1.00 1.00 H new ATOM 0 HB3 ASP A 2 1.548 -3.924 -2.415 1.00 1.00 H new ATOM 22 N CYS A 3 2.475 -1.241 -5.901 1.00 1.00 N ATOM 23 CA CYS A 3 2.638 -1.062 -7.372 1.00 1.00 C ATOM 24 C CYS A 3 3.984 -1.657 -7.780 1.00 1.00 C ATOM 25 O CYS A 3 4.912 -0.993 -8.200 1.00 1.00 O ATOM 26 CB CYS A 3 2.535 0.435 -7.649 1.00 1.00 C ATOM 27 SG CYS A 3 0.947 1.209 -7.248 1.00 1.00 S ATOM 0 H CYS A 3 2.833 -0.475 -5.330 1.00 1.00 H new ATOM 0 HA CYS A 3 1.873 -1.574 -7.956 1.00 1.00 H new ATOM 0 HB2 CYS A 3 3.317 0.943 -7.085 1.00 1.00 H new ATOM 0 HB3 CYS A 3 2.743 0.604 -8.706 1.00 1.00 H new ATOM 32 N LEU A 4 3.988 -2.955 -7.612 1.00 1.00 N ATOM 33 CA LEU A 4 5.170 -3.821 -7.926 1.00 1.00 C ATOM 34 C LEU A 4 5.570 -3.742 -9.429 1.00 1.00 C ATOM 35 O LEU A 4 4.877 -3.104 -10.198 1.00 1.00 O ATOM 36 CB LEU A 4 4.746 -5.243 -7.464 1.00 1.00 C ATOM 37 CG LEU A 4 3.688 -5.947 -8.378 1.00 1.00 C ATOM 38 CD1 LEU A 4 2.539 -5.016 -8.856 1.00 1.00 C ATOM 39 CD2 LEU A 4 4.328 -6.645 -9.577 1.00 1.00 C ATOM 0 H LEU A 4 3.185 -3.473 -7.254 1.00 1.00 H new ATOM 0 HA LEU A 4 6.075 -3.499 -7.411 1.00 1.00 H new ATOM 0 HB2 LEU A 4 5.635 -5.872 -7.412 1.00 1.00 H new ATOM 0 HB3 LEU A 4 4.343 -5.175 -6.453 1.00 1.00 H new ATOM 0 HG LEU A 4 3.236 -6.699 -7.732 1.00 1.00 H new ATOM 0 HD11 LEU A 4 1.850 -5.581 -9.484 1.00 1.00 H new ATOM 0 HD12 LEU A 4 2.004 -4.625 -7.991 1.00 1.00 H new ATOM 0 HD13 LEU A 4 2.956 -4.188 -9.429 1.00 1.00 H new ATOM 0 HD21 LEU A 4 3.552 -7.118 -10.179 1.00 1.00 H new ATOM 0 HD22 LEU A 4 4.862 -5.912 -10.182 1.00 1.00 H new ATOM 0 HD23 LEU A 4 5.027 -7.404 -9.226 1.00 1.00 H new ATOM 51 N PRO A 5 6.659 -4.374 -9.824 1.00 1.00 N ATOM 52 CA PRO A 5 7.143 -4.338 -11.233 1.00 1.00 C ATOM 53 C PRO A 5 6.518 -5.420 -12.142 1.00 1.00 C ATOM 54 O PRO A 5 5.393 -5.282 -12.583 1.00 1.00 O ATOM 55 CB PRO A 5 8.651 -4.469 -11.060 1.00 1.00 C ATOM 56 CG PRO A 5 8.776 -5.482 -9.884 1.00 1.00 C ATOM 57 CD PRO A 5 7.572 -5.172 -8.954 1.00 1.00 C ATOM 0 HA PRO A 5 6.851 -3.430 -11.761 1.00 1.00 H new ATOM 0 HB2 PRO A 5 9.131 -4.839 -11.966 1.00 1.00 H new ATOM 0 HB3 PRO A 5 9.115 -3.512 -10.821 1.00 1.00 H new ATOM 0 HG2 PRO A 5 8.742 -6.510 -10.244 1.00 1.00 H new ATOM 0 HG3 PRO A 5 9.723 -5.360 -9.357 1.00 1.00 H new ATOM 0 HD2 PRO A 5 7.093 -6.085 -8.599 1.00 1.00 H new ATOM 0 HD3 PRO A 5 7.880 -4.610 -8.072 1.00 1.00 H new ATOM 65 N HIS A 6 7.275 -6.459 -12.387 1.00 1.00 N ATOM 66 CA HIS A 6 6.817 -7.593 -13.252 1.00 1.00 C ATOM 67 C HIS A 6 5.720 -8.464 -12.612 1.00 1.00 C ATOM 68 O HIS A 6 5.458 -8.393 -11.430 1.00 1.00 O ATOM 69 CB HIS A 6 8.076 -8.444 -13.594 1.00 1.00 C ATOM 70 CG HIS A 6 7.725 -9.679 -14.444 1.00 1.00 C ATOM 71 ND1 HIS A 6 7.189 -10.766 -13.991 1.00 1.00 N ATOM 72 CD2 HIS A 6 7.873 -9.919 -15.799 1.00 1.00 C ATOM 73 CE1 HIS A 6 7.015 -11.609 -14.958 1.00 1.00 C ATOM 74 NE2 HIS A 6 7.427 -11.123 -16.102 1.00 1.00 N ATOM 0 H HIS A 6 8.217 -6.573 -12.014 1.00 1.00 H new ATOM 0 HA HIS A 6 6.352 -7.182 -14.148 1.00 1.00 H new ATOM 0 HB2 HIS A 6 8.796 -7.827 -14.132 1.00 1.00 H new ATOM 0 HB3 HIS A 6 8.558 -8.765 -12.671 1.00 1.00 H new ATOM 0 HD2 HIS A 6 8.294 -9.220 -16.507 1.00 1.00 H new ATOM 0 HE1 HIS A 6 6.583 -12.592 -14.836 1.00 1.00 H new ATOM 0 HE2 HIS A 6 7.408 -11.572 -17.017 1.00 1.00 H new ATOM 82 N LEU A 7 5.133 -9.253 -13.474 1.00 1.00 N ATOM 83 CA LEU A 7 4.038 -10.221 -13.170 1.00 1.00 C ATOM 84 C LEU A 7 4.586 -11.400 -12.348 1.00 1.00 C ATOM 85 O LEU A 7 4.431 -12.536 -12.746 1.00 1.00 O ATOM 86 CB LEU A 7 3.420 -10.752 -14.522 1.00 1.00 C ATOM 87 CG LEU A 7 3.640 -9.822 -15.744 1.00 1.00 C ATOM 88 CD1 LEU A 7 2.982 -10.472 -16.977 1.00 1.00 C ATOM 89 CD2 LEU A 7 3.030 -8.419 -15.534 1.00 1.00 C ATOM 0 H LEU A 7 5.396 -9.261 -14.460 1.00 1.00 H new ATOM 0 HA LEU A 7 3.265 -9.718 -12.588 1.00 1.00 H new ATOM 0 HB2 LEU A 7 3.850 -11.729 -14.744 1.00 1.00 H new ATOM 0 HB3 LEU A 7 2.349 -10.900 -14.383 1.00 1.00 H new ATOM 0 HG LEU A 7 4.714 -9.696 -15.882 1.00 1.00 H new ATOM 0 HD11 LEU A 7 3.127 -9.831 -17.847 1.00 1.00 H new ATOM 0 HD12 LEU A 7 3.438 -11.444 -17.163 1.00 1.00 H new ATOM 0 HD13 LEU A 7 1.915 -10.601 -16.795 1.00 1.00 H new ATOM 0 HD21 LEU A 7 3.211 -7.807 -16.418 1.00 1.00 H new ATOM 0 HD22 LEU A 7 1.956 -8.510 -15.370 1.00 1.00 H new ATOM 0 HD23 LEU A 7 3.491 -7.948 -14.666 1.00 1.00 H new ATOM 101 N LYS A 8 5.217 -11.146 -11.226 1.00 1.00 N ATOM 102 CA LYS A 8 5.738 -12.302 -10.443 1.00 1.00 C ATOM 103 C LYS A 8 4.555 -13.053 -9.833 1.00 1.00 C ATOM 104 O LYS A 8 3.402 -12.664 -9.970 1.00 1.00 O ATOM 105 CB LYS A 8 6.746 -11.786 -9.334 1.00 1.00 C ATOM 106 CG LYS A 8 6.192 -11.316 -7.949 1.00 1.00 C ATOM 107 CD LYS A 8 5.488 -9.940 -7.958 1.00 1.00 C ATOM 108 CE LYS A 8 4.037 -10.059 -8.405 1.00 1.00 C ATOM 109 NZ LYS A 8 3.281 -10.978 -7.506 1.00 1.00 N ATOM 0 H LYS A 8 5.388 -10.221 -10.832 1.00 1.00 H new ATOM 0 HA LYS A 8 6.287 -12.988 -11.088 1.00 1.00 H new ATOM 0 HB2 LYS A 8 7.462 -12.586 -9.145 1.00 1.00 H new ATOM 0 HB3 LYS A 8 7.304 -10.954 -9.762 1.00 1.00 H new ATOM 0 HG2 LYS A 8 5.489 -12.064 -7.583 1.00 1.00 H new ATOM 0 HG3 LYS A 8 7.017 -11.280 -7.238 1.00 1.00 H new ATOM 0 HD2 LYS A 8 5.528 -9.503 -6.960 1.00 1.00 H new ATOM 0 HD3 LYS A 8 6.021 -9.262 -8.624 1.00 1.00 H new ATOM 0 HE2 LYS A 8 3.569 -9.075 -8.403 1.00 1.00 H new ATOM 0 HE3 LYS A 8 3.996 -10.430 -9.429 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 2.385 -10.530 -7.226 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 3.082 -11.867 -8.007 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 3.848 -11.178 -6.658 1.00 1.00 H new ATOM 123 N LEU A 9 4.933 -14.123 -9.190 1.00 1.00 N ATOM 124 CA LEU A 9 3.988 -15.019 -8.516 1.00 1.00 C ATOM 125 C LEU A 9 3.366 -14.391 -7.267 1.00 1.00 C ATOM 126 O LEU A 9 4.047 -13.789 -6.460 1.00 1.00 O ATOM 127 CB LEU A 9 4.725 -16.320 -8.144 1.00 1.00 C ATOM 128 CG LEU A 9 6.200 -16.118 -7.667 1.00 1.00 C ATOM 129 CD1 LEU A 9 6.551 -17.249 -6.671 1.00 1.00 C ATOM 130 CD2 LEU A 9 7.170 -16.280 -8.872 1.00 1.00 C ATOM 0 H LEU A 9 5.907 -14.414 -9.109 1.00 1.00 H new ATOM 0 HA LEU A 9 3.166 -15.222 -9.202 1.00 1.00 H new ATOM 0 HB2 LEU A 9 4.168 -16.825 -7.355 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.724 -16.983 -9.009 1.00 1.00 H new ATOM 0 HG LEU A 9 6.295 -15.129 -7.219 1.00 1.00 H new ATOM 0 HD11 LEU A 9 7.578 -17.125 -6.327 1.00 1.00 H new ATOM 0 HD12 LEU A 9 5.874 -17.205 -5.818 1.00 1.00 H new ATOM 0 HD13 LEU A 9 6.449 -18.215 -7.166 1.00 1.00 H new ATOM 0 HD21 LEU A 9 8.197 -16.138 -8.534 1.00 1.00 H new ATOM 0 HD22 LEU A 9 7.062 -17.279 -9.295 1.00 1.00 H new ATOM 0 HD23 LEU A 9 6.932 -15.536 -9.633 1.00 1.00 H new ATOM 142 N CYS A 10 2.074 -14.565 -7.169 1.00 1.00 N ATOM 143 CA CYS A 10 1.285 -14.048 -6.042 1.00 1.00 C ATOM 144 C CYS A 10 0.236 -15.099 -5.641 1.00 1.00 C ATOM 145 O CYS A 10 0.112 -16.133 -6.279 1.00 1.00 O ATOM 146 CB CYS A 10 0.553 -12.731 -6.421 1.00 1.00 C ATOM 147 SG CYS A 10 -1.086 -12.894 -7.169 1.00 1.00 S ATOM 0 H CYS A 10 1.522 -15.069 -7.863 1.00 1.00 H new ATOM 0 HA CYS A 10 1.964 -13.841 -5.215 1.00 1.00 H new ATOM 0 HB2 CYS A 10 0.456 -12.125 -5.520 1.00 1.00 H new ATOM 0 HB3 CYS A 10 1.188 -12.176 -7.112 1.00 1.00 H new ATOM 152 N LYS A 11 -0.479 -14.763 -4.590 1.00 1.00 N ATOM 153 CA LYS A 11 -1.556 -15.636 -4.029 1.00 1.00 C ATOM 154 C LYS A 11 -2.917 -14.940 -4.194 1.00 1.00 C ATOM 155 O LYS A 11 -3.907 -15.583 -4.486 1.00 1.00 O ATOM 156 CB LYS A 11 -1.309 -15.927 -2.517 1.00 1.00 C ATOM 157 CG LYS A 11 -1.057 -14.651 -1.658 1.00 1.00 C ATOM 158 CD LYS A 11 0.396 -14.661 -1.128 1.00 1.00 C ATOM 159 CE LYS A 11 1.386 -14.528 -2.295 1.00 1.00 C ATOM 160 NZ LYS A 11 1.287 -13.160 -2.884 1.00 1.00 N ATOM 0 H LYS A 11 -0.352 -13.887 -4.083 1.00 1.00 H new ATOM 0 HA LYS A 11 -1.549 -16.582 -4.571 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -2.171 -16.459 -2.114 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -0.451 -16.592 -2.421 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -1.230 -13.757 -2.257 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -1.759 -14.617 -0.825 1.00 1.00 H new ATOM 0 HD2 LYS A 11 0.540 -13.841 -0.424 1.00 1.00 H new ATOM 0 HD3 LYS A 11 0.586 -15.586 -0.584 1.00 1.00 H new ATOM 0 HE2 LYS A 11 2.402 -14.711 -1.946 1.00 1.00 H new ATOM 0 HE3 LYS A 11 1.170 -15.279 -3.055 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 2.172 -12.930 -3.379 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 0.495 -13.129 -3.558 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 1.124 -12.467 -2.126 1.00 1.00 H new ATOM 174 N GLU A 12 -2.914 -13.644 -3.996 1.00 1.00 N ATOM 175 CA GLU A 12 -4.159 -12.820 -4.123 1.00 1.00 C ATOM 176 C GLU A 12 -3.922 -11.684 -5.116 1.00 1.00 C ATOM 177 O GLU A 12 -2.799 -11.272 -5.331 1.00 1.00 O ATOM 178 CB GLU A 12 -4.528 -12.210 -2.767 1.00 1.00 C ATOM 179 CG GLU A 12 -4.866 -13.324 -1.777 1.00 1.00 C ATOM 180 CD GLU A 12 -5.203 -12.719 -0.403 1.00 1.00 C ATOM 181 OE1 GLU A 12 -6.223 -12.051 -0.333 1.00 1.00 O ATOM 182 OE2 GLU A 12 -4.421 -12.958 0.503 1.00 1.00 O ATOM 0 H GLU A 12 -2.082 -13.110 -3.746 1.00 1.00 H new ATOM 0 HA GLU A 12 -4.968 -13.463 -4.470 1.00 1.00 H new ATOM 0 HB2 GLU A 12 -3.699 -11.613 -2.388 1.00 1.00 H new ATOM 0 HB3 GLU A 12 -5.379 -11.539 -2.879 1.00 1.00 H new ATOM 0 HG2 GLU A 12 -5.711 -13.906 -2.145 1.00 1.00 H new ATOM 0 HG3 GLU A 12 -4.023 -14.009 -1.686 1.00 1.00 H new ATOM 189 N ASN A 13 -4.997 -11.203 -5.687 1.00 1.00 N ATOM 190 CA ASN A 13 -4.892 -10.096 -6.665 1.00 1.00 C ATOM 191 C ASN A 13 -4.387 -8.843 -5.938 1.00 1.00 C ATOM 192 O ASN A 13 -3.524 -8.159 -6.452 1.00 1.00 O ATOM 193 CB ASN A 13 -6.279 -9.857 -7.307 1.00 1.00 C ATOM 194 CG ASN A 13 -7.345 -9.497 -6.269 1.00 1.00 C ATOM 195 OD1 ASN A 13 -7.682 -10.283 -5.407 1.00 1.00 O ATOM 196 ND2 ASN A 13 -7.896 -8.316 -6.322 1.00 1.00 N ATOM 0 H ASN A 13 -5.945 -11.536 -5.512 1.00 1.00 H new ATOM 0 HA ASN A 13 -4.187 -10.343 -7.459 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -6.204 -9.055 -8.041 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -6.587 -10.753 -7.845 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -8.608 -8.054 -5.640 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -7.615 -7.654 -7.045 1.00 1.00 H new ATOM 203 N LYS A 14 -4.943 -8.595 -4.769 1.00 1.00 N ATOM 204 CA LYS A 14 -4.548 -7.405 -3.934 1.00 1.00 C ATOM 205 C LYS A 14 -3.035 -7.141 -3.961 1.00 1.00 C ATOM 206 O LYS A 14 -2.593 -6.010 -3.907 1.00 1.00 O ATOM 207 CB LYS A 14 -4.968 -7.610 -2.458 1.00 1.00 C ATOM 208 CG LYS A 14 -6.406 -7.083 -2.207 1.00 1.00 C ATOM 209 CD LYS A 14 -7.485 -7.870 -2.987 1.00 1.00 C ATOM 210 CE LYS A 14 -7.458 -9.358 -2.601 1.00 1.00 C ATOM 211 NZ LYS A 14 -7.546 -9.508 -1.125 1.00 1.00 N ATOM 0 H LYS A 14 -5.668 -9.178 -4.351 1.00 1.00 H new ATOM 0 HA LYS A 14 -5.063 -6.549 -4.369 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -4.917 -8.669 -2.206 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -4.268 -7.092 -1.802 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -6.625 -7.137 -1.141 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -6.456 -6.032 -2.490 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -8.470 -7.453 -2.777 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -7.316 -7.764 -4.059 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -8.288 -9.880 -3.077 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -6.541 -9.819 -2.966 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -7.680 -10.511 -0.885 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -6.668 -9.162 -0.688 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -8.352 -8.956 -0.767 1.00 1.00 H new ATOM 225 N ASP A 15 -2.317 -8.237 -4.044 1.00 1.00 N ATOM 226 CA ASP A 15 -0.820 -8.248 -4.083 1.00 1.00 C ATOM 227 C ASP A 15 -0.239 -7.112 -4.925 1.00 1.00 C ATOM 228 O ASP A 15 0.755 -6.518 -4.564 1.00 1.00 O ATOM 229 CB ASP A 15 -0.370 -9.622 -4.642 1.00 1.00 C ATOM 230 CG ASP A 15 1.169 -9.752 -4.708 1.00 1.00 C ATOM 231 OD1 ASP A 15 1.749 -9.109 -5.570 1.00 1.00 O ATOM 232 OD2 ASP A 15 1.686 -10.491 -3.887 1.00 1.00 O ATOM 0 H ASP A 15 -2.731 -9.168 -4.088 1.00 1.00 H new ATOM 0 HA ASP A 15 -0.444 -8.093 -3.072 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -0.773 -10.417 -4.015 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -0.787 -9.761 -5.639 1.00 1.00 H new ATOM 237 N CYS A 16 -0.892 -6.867 -6.026 1.00 1.00 N ATOM 238 CA CYS A 16 -0.497 -5.816 -6.984 1.00 1.00 C ATOM 239 C CYS A 16 -1.494 -4.673 -7.036 1.00 1.00 C ATOM 240 O CYS A 16 -2.664 -4.888 -6.806 1.00 1.00 O ATOM 241 CB CYS A 16 -0.382 -6.558 -8.279 1.00 1.00 C ATOM 242 SG CYS A 16 1.121 -7.567 -8.294 1.00 1.00 S ATOM 0 H CYS A 16 -1.725 -7.384 -6.307 1.00 1.00 H new ATOM 0 HA CYS A 16 0.433 -5.317 -6.710 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -1.256 -7.194 -8.421 1.00 1.00 H new ATOM 0 HB3 CYS A 16 -0.363 -5.853 -9.110 1.00 1.00 H new ATOM 247 N CYS A 17 -1.001 -3.492 -7.324 1.00 1.00 N ATOM 248 CA CYS A 17 -1.856 -2.287 -7.425 1.00 1.00 C ATOM 249 C CYS A 17 -2.833 -2.521 -8.584 1.00 1.00 C ATOM 250 O CYS A 17 -3.978 -2.116 -8.537 1.00 1.00 O ATOM 251 CB CYS A 17 -0.966 -1.087 -7.708 1.00 1.00 C ATOM 252 SG CYS A 17 -0.139 -0.237 -6.340 1.00 1.00 S ATOM 0 H CYS A 17 -0.011 -3.318 -7.497 1.00 1.00 H new ATOM 0 HA CYS A 17 -2.410 -2.100 -6.505 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -0.192 -1.413 -8.403 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -1.573 -0.348 -8.230 1.00 1.00 H new ATOM 257 N SER A 18 -2.313 -3.182 -9.592 1.00 1.00 N ATOM 258 CA SER A 18 -3.091 -3.511 -10.809 1.00 1.00 C ATOM 259 C SER A 18 -4.142 -4.584 -10.478 1.00 1.00 C ATOM 260 O SER A 18 -4.999 -4.880 -11.287 1.00 1.00 O ATOM 261 CB SER A 18 -2.118 -4.018 -11.885 1.00 1.00 C ATOM 262 OG SER A 18 -2.933 -4.196 -13.035 1.00 1.00 O ATOM 0 H SER A 18 -1.349 -3.514 -9.612 1.00 1.00 H new ATOM 0 HA SER A 18 -3.612 -2.628 -11.178 1.00 1.00 H new ATOM 0 HB2 SER A 18 -1.319 -3.300 -12.070 1.00 1.00 H new ATOM 0 HB3 SER A 18 -1.643 -4.952 -11.585 1.00 1.00 H new ATOM 0 HG SER A 18 -3.852 -4.393 -12.757 1.00 1.00 H new ATOM 268 N LYS A 19 -4.018 -5.112 -9.283 1.00 1.00 N ATOM 269 CA LYS A 19 -4.908 -6.173 -8.725 1.00 1.00 C ATOM 270 C LYS A 19 -5.469 -7.161 -9.755 1.00 1.00 C ATOM 271 O LYS A 19 -6.632 -7.516 -9.696 1.00 1.00 O ATOM 272 CB LYS A 19 -6.067 -5.468 -7.972 1.00 1.00 C ATOM 273 CG LYS A 19 -5.449 -4.749 -6.779 1.00 1.00 C ATOM 274 CD LYS A 19 -6.487 -4.010 -5.945 1.00 1.00 C ATOM 275 CE LYS A 19 -5.780 -3.481 -4.680 1.00 1.00 C ATOM 276 NZ LYS A 19 -4.576 -2.677 -5.047 1.00 1.00 N ATOM 0 H LYS A 19 -3.285 -4.827 -8.634 1.00 1.00 H new ATOM 0 HA LYS A 19 -4.298 -6.788 -8.064 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -6.579 -4.762 -8.626 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -6.811 -6.193 -7.642 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -4.931 -5.473 -6.151 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -4.700 -4.041 -7.133 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -6.920 -3.187 -6.514 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -7.306 -4.676 -5.675 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -6.470 -2.868 -4.101 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -5.486 -4.317 -4.045 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -4.423 -1.935 -4.334 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -3.742 -3.298 -5.085 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -4.723 -2.237 -5.978 1.00 1.00 H new ATOM 290 N LYS A 20 -4.630 -7.576 -10.679 1.00 1.00 N ATOM 291 CA LYS A 20 -5.137 -8.552 -11.696 1.00 1.00 C ATOM 292 C LYS A 20 -4.066 -9.617 -11.875 1.00 1.00 C ATOM 293 O LYS A 20 -3.389 -9.702 -12.876 1.00 1.00 O ATOM 294 CB LYS A 20 -5.466 -7.794 -13.031 1.00 1.00 C ATOM 295 CG LYS A 20 -6.772 -6.991 -12.863 1.00 1.00 C ATOM 296 CD LYS A 20 -7.988 -7.943 -12.704 1.00 1.00 C ATOM 297 CE LYS A 20 -9.229 -7.110 -12.396 1.00 1.00 C ATOM 298 NZ LYS A 20 -9.503 -6.178 -13.521 1.00 1.00 N ATOM 0 H LYS A 20 -3.654 -7.294 -10.772 1.00 1.00 H new ATOM 0 HA LYS A 20 -6.061 -9.033 -11.375 1.00 1.00 H new ATOM 0 HB2 LYS A 20 -4.647 -7.124 -13.292 1.00 1.00 H new ATOM 0 HB3 LYS A 20 -5.568 -8.506 -13.850 1.00 1.00 H new ATOM 0 HG2 LYS A 20 -6.696 -6.342 -11.990 1.00 1.00 H new ATOM 0 HG3 LYS A 20 -6.921 -6.345 -13.728 1.00 1.00 H new ATOM 0 HD2 LYS A 20 -8.138 -8.519 -13.617 1.00 1.00 H new ATOM 0 HD3 LYS A 20 -7.805 -8.658 -11.902 1.00 1.00 H new ATOM 0 HE2 LYS A 20 -10.086 -7.764 -12.237 1.00 1.00 H new ATOM 0 HE3 LYS A 20 -9.081 -6.548 -11.474 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 -10.480 -5.827 -13.451 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 -8.843 -5.376 -13.476 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 -9.378 -6.678 -14.424 1.00 1.00 H new ATOM 312 N CYS A 21 -3.950 -10.422 -10.852 1.00 1.00 N ATOM 313 CA CYS A 21 -2.944 -11.518 -10.869 1.00 1.00 C ATOM 314 C CYS A 21 -3.704 -12.831 -11.110 1.00 1.00 C ATOM 315 O CYS A 21 -4.615 -13.158 -10.373 1.00 1.00 O ATOM 316 CB CYS A 21 -2.216 -11.439 -9.517 1.00 1.00 C ATOM 317 SG CYS A 21 -0.873 -12.595 -9.155 1.00 1.00 S ATOM 0 H CYS A 21 -4.512 -10.365 -10.003 1.00 1.00 H new ATOM 0 HA CYS A 21 -2.195 -11.446 -11.657 1.00 1.00 H new ATOM 0 HB2 CYS A 21 -1.812 -10.431 -9.423 1.00 1.00 H new ATOM 0 HB3 CYS A 21 -2.967 -11.556 -8.735 1.00 1.00 H new ATOM 322 N LYS A 22 -3.294 -13.537 -12.143 1.00 1.00 N ATOM 323 CA LYS A 22 -3.966 -14.845 -12.507 1.00 1.00 C ATOM 324 C LYS A 22 -3.030 -16.050 -12.667 1.00 1.00 C ATOM 325 O LYS A 22 -1.870 -15.884 -12.981 1.00 1.00 O ATOM 326 CB LYS A 22 -4.750 -14.634 -13.827 1.00 1.00 C ATOM 327 CG LYS A 22 -5.964 -13.682 -13.635 1.00 1.00 C ATOM 328 CD LYS A 22 -7.262 -14.454 -13.262 1.00 1.00 C ATOM 329 CE LYS A 22 -7.107 -15.280 -11.974 1.00 1.00 C ATOM 330 NZ LYS A 22 -8.400 -15.933 -11.628 1.00 1.00 N ATOM 0 H LYS A 22 -2.523 -13.268 -12.754 1.00 1.00 H new ATOM 0 HA LYS A 22 -4.610 -15.097 -11.665 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -4.082 -14.223 -14.584 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -5.099 -15.597 -14.200 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -5.736 -12.958 -12.852 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -6.130 -13.118 -14.553 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -8.080 -13.744 -13.138 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -7.536 -15.116 -14.083 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -6.333 -16.036 -12.108 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -6.785 -14.636 -11.156 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -8.696 -15.635 -10.677 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -9.125 -15.655 -12.319 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -8.283 -16.966 -11.646 1.00 1.00 H new ATOM 344 N ARG A 23 -3.574 -17.229 -12.459 1.00 1.00 N ATOM 345 CA ARG A 23 -2.761 -18.484 -12.575 1.00 1.00 C ATOM 346 C ARG A 23 -3.089 -19.326 -13.816 1.00 1.00 C ATOM 347 O ARG A 23 -3.880 -20.249 -13.798 1.00 1.00 O ATOM 348 CB ARG A 23 -2.955 -19.335 -11.250 1.00 1.00 C ATOM 349 CG ARG A 23 -4.303 -20.099 -11.073 1.00 1.00 C ATOM 350 CD ARG A 23 -5.530 -19.209 -11.296 1.00 1.00 C ATOM 351 NE ARG A 23 -5.485 -18.084 -10.315 1.00 1.00 N ATOM 352 CZ ARG A 23 -6.385 -17.996 -9.371 1.00 1.00 C ATOM 353 NH1 ARG A 23 -6.598 -19.027 -8.599 1.00 1.00 N ATOM 354 NH2 ARG A 23 -7.041 -16.880 -9.225 1.00 1.00 N ATOM 0 H ARG A 23 -4.553 -17.375 -12.212 1.00 1.00 H new ATOM 0 HA ARG A 23 -1.719 -18.190 -12.698 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -2.146 -20.064 -11.198 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -2.835 -18.664 -10.399 1.00 1.00 H new ATOM 0 HG2 ARG A 23 -4.335 -20.934 -11.772 1.00 1.00 H new ATOM 0 HG3 ARG A 23 -4.345 -20.522 -10.069 1.00 1.00 H new ATOM 0 HD2 ARG A 23 -5.537 -18.823 -12.315 1.00 1.00 H new ATOM 0 HD3 ARG A 23 -6.445 -19.787 -11.168 1.00 1.00 H new ATOM 0 HE ARG A 23 -4.749 -17.381 -10.382 1.00 1.00 H new ATOM 0 HH11 ARG A 23 -6.065 -19.886 -8.737 1.00 1.00 H new ATOM 0 HH12 ARG A 23 -7.297 -18.974 -7.858 1.00 1.00 H new ATOM 0 HH21 ARG A 23 -6.849 -16.091 -9.842 1.00 1.00 H new ATOM 0 HH22 ARG A 23 -7.746 -16.795 -8.493 1.00 1.00 H new ATOM 368 N ARG A 24 -2.442 -18.956 -14.892 1.00 1.00 N ATOM 369 CA ARG A 24 -2.629 -19.669 -16.198 1.00 1.00 C ATOM 370 C ARG A 24 -1.464 -20.668 -16.262 1.00 1.00 C ATOM 371 O ARG A 24 -0.675 -20.737 -17.185 1.00 1.00 O ATOM 372 CB ARG A 24 -2.565 -18.627 -17.348 1.00 1.00 C ATOM 373 CG ARG A 24 -3.888 -17.820 -17.537 1.00 1.00 C ATOM 374 CD ARG A 24 -4.440 -17.211 -16.228 1.00 1.00 C ATOM 375 NE ARG A 24 -5.219 -18.265 -15.514 1.00 1.00 N ATOM 376 CZ ARG A 24 -6.474 -18.067 -15.221 1.00 1.00 C ATOM 377 NH1 ARG A 24 -7.384 -18.362 -16.107 1.00 1.00 N ATOM 378 NH2 ARG A 24 -6.775 -17.581 -14.050 1.00 1.00 N ATOM 0 H ARG A 24 -1.782 -18.179 -14.924 1.00 1.00 H new ATOM 0 HA ARG A 24 -3.586 -20.182 -16.290 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -1.750 -17.931 -17.151 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -2.327 -19.141 -18.279 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -3.714 -17.018 -18.255 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -4.644 -18.476 -17.969 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -3.623 -16.853 -15.602 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -5.075 -16.352 -16.447 1.00 1.00 H new ATOM 0 HE ARG A 24 -4.768 -19.143 -15.255 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -7.110 -18.742 -17.013 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -8.370 -18.213 -15.894 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -6.035 -17.363 -13.383 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -7.751 -17.418 -13.801 1.00 1.00 H new ATOM 392 N GLY A 25 -1.458 -21.414 -15.190 1.00 1.00 N ATOM 393 CA GLY A 25 -0.504 -22.481 -14.876 1.00 1.00 C ATOM 394 C GLY A 25 -1.249 -23.596 -14.152 1.00 1.00 C ATOM 395 O GLY A 25 -2.464 -23.660 -14.163 1.00 1.00 O ATOM 0 H GLY A 25 -2.158 -21.297 -14.457 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -0.047 -22.862 -15.789 1.00 1.00 H new ATOM 0 HA3 GLY A 25 0.303 -22.097 -14.252 1.00 1.00 H new ATOM 399 N THR A 26 -0.469 -24.442 -13.540 1.00 1.00 N ATOM 400 CA THR A 26 -1.015 -25.593 -12.779 1.00 1.00 C ATOM 401 C THR A 26 -1.190 -25.173 -11.315 1.00 1.00 C ATOM 402 O THR A 26 -2.260 -25.305 -10.753 1.00 1.00 O ATOM 403 CB THR A 26 -0.035 -26.795 -12.895 1.00 1.00 C ATOM 404 OG1 THR A 26 1.229 -26.319 -12.446 1.00 1.00 O ATOM 405 CG2 THR A 26 0.179 -27.201 -14.368 1.00 1.00 C ATOM 0 H THR A 26 0.549 -24.379 -13.537 1.00 1.00 H new ATOM 0 HA THR A 26 -1.982 -25.896 -13.181 1.00 1.00 H new ATOM 0 HB THR A 26 -0.432 -27.639 -12.330 1.00 1.00 H new ATOM 0 HG1 THR A 26 1.888 -27.043 -12.497 1.00 1.00 H new ATOM 0 HG21 THR A 26 0.869 -28.044 -14.417 1.00 1.00 H new ATOM 0 HG22 THR A 26 -0.776 -27.488 -14.809 1.00 1.00 H new ATOM 0 HG23 THR A 26 0.596 -26.359 -14.921 1.00 1.00 H new ATOM 413 N ASN A 27 -0.120 -24.678 -10.750 1.00 1.00 N ATOM 414 CA ASN A 27 -0.130 -24.220 -9.324 1.00 1.00 C ATOM 415 C ASN A 27 -0.948 -22.926 -9.174 1.00 1.00 C ATOM 416 O ASN A 27 -1.275 -22.287 -10.157 1.00 1.00 O ATOM 417 CB ASN A 27 1.321 -23.977 -8.879 1.00 1.00 C ATOM 418 CG ASN A 27 2.124 -25.273 -9.048 1.00 1.00 C ATOM 419 OD1 ASN A 27 1.877 -26.265 -8.391 1.00 1.00 O ATOM 420 ND2 ASN A 27 3.091 -25.305 -9.924 1.00 1.00 N ATOM 0 H ASN A 27 0.777 -24.569 -11.223 1.00 1.00 H new ATOM 0 HA ASN A 27 -0.592 -24.985 -8.701 1.00 1.00 H new ATOM 0 HB2 ASN A 27 1.767 -23.179 -9.472 1.00 1.00 H new ATOM 0 HB3 ASN A 27 1.346 -23.653 -7.839 1.00 1.00 H new ATOM 0 HD21 ASN A 27 3.634 -26.159 -10.054 1.00 1.00 H new ATOM 0 HD22 ASN A 27 3.304 -24.476 -10.479 1.00 1.00 H new ATOM 427 N ILE A 28 -1.254 -22.579 -7.947 1.00 1.00 N ATOM 428 CA ILE A 28 -2.044 -21.334 -7.688 1.00 1.00 C ATOM 429 C ILE A 28 -1.197 -20.106 -7.975 1.00 1.00 C ATOM 430 O ILE A 28 -1.751 -19.121 -8.416 1.00 1.00 O ATOM 431 CB ILE A 28 -2.514 -21.284 -6.225 1.00 1.00 C ATOM 432 CG1 ILE A 28 -3.505 -22.448 -6.017 1.00 1.00 C ATOM 433 CG2 ILE A 28 -3.221 -19.909 -5.956 1.00 1.00 C ATOM 434 CD1 ILE A 28 -3.941 -22.547 -4.541 1.00 1.00 C ATOM 0 H ILE A 28 -0.991 -23.104 -7.113 1.00 1.00 H new ATOM 0 HA ILE A 28 -2.913 -21.344 -8.346 1.00 1.00 H new ATOM 0 HB ILE A 28 -1.674 -21.379 -5.537 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -4.381 -22.302 -6.649 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -3.041 -23.385 -6.326 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -3.556 -19.869 -4.920 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -2.519 -19.096 -6.142 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -4.080 -19.806 -6.619 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -4.639 -23.376 -4.423 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -3.066 -22.717 -3.914 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -4.426 -21.618 -4.242 1.00 1.00 H new ATOM 446 N GLU A 29 0.091 -20.208 -7.716 1.00 1.00 N ATOM 447 CA GLU A 29 1.045 -19.075 -7.951 1.00 1.00 C ATOM 448 C GLU A 29 0.622 -18.381 -9.240 1.00 1.00 C ATOM 449 O GLU A 29 0.870 -18.861 -10.330 1.00 1.00 O ATOM 450 CB GLU A 29 2.482 -19.613 -8.096 1.00 1.00 C ATOM 451 CG GLU A 29 2.948 -20.260 -6.768 1.00 1.00 C ATOM 452 CD GLU A 29 4.424 -20.730 -6.824 1.00 1.00 C ATOM 453 OE1 GLU A 29 5.077 -20.533 -7.839 1.00 1.00 O ATOM 454 OE2 GLU A 29 4.825 -21.278 -5.810 1.00 1.00 O ATOM 0 H GLU A 29 0.528 -21.051 -7.343 1.00 1.00 H new ATOM 0 HA GLU A 29 1.025 -18.380 -7.112 1.00 1.00 H new ATOM 0 HB2 GLU A 29 2.524 -20.347 -8.901 1.00 1.00 H new ATOM 0 HB3 GLU A 29 3.156 -18.801 -8.370 1.00 1.00 H new ATOM 0 HG2 GLU A 29 2.829 -19.542 -5.956 1.00 1.00 H new ATOM 0 HG3 GLU A 29 2.307 -21.111 -6.538 1.00 1.00 H new ATOM 461 N LYS A 30 -0.014 -17.256 -9.042 1.00 1.00 N ATOM 462 CA LYS A 30 -0.504 -16.475 -10.214 1.00 1.00 C ATOM 463 C LYS A 30 0.441 -15.328 -10.553 1.00 1.00 C ATOM 464 O LYS A 30 1.144 -14.853 -9.690 1.00 1.00 O ATOM 465 CB LYS A 30 -1.924 -15.975 -9.853 1.00 1.00 C ATOM 466 CG LYS A 30 -1.973 -15.272 -8.500 1.00 1.00 C ATOM 467 CD LYS A 30 -2.595 -16.153 -7.416 1.00 1.00 C ATOM 468 CE LYS A 30 -4.092 -16.341 -7.686 1.00 1.00 C ATOM 469 NZ LYS A 30 -4.677 -17.258 -6.675 1.00 1.00 N ATOM 0 H LYS A 30 -0.213 -16.848 -8.129 1.00 1.00 H new ATOM 0 HA LYS A 30 -0.539 -17.095 -11.110 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -2.271 -15.290 -10.627 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -2.611 -16.821 -9.844 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -0.963 -14.990 -8.202 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -2.548 -14.350 -8.591 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -2.097 -17.122 -7.394 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -2.448 -15.697 -6.437 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -4.600 -15.377 -7.653 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -4.242 -16.746 -8.687 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -5.560 -16.850 -6.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -4.879 -18.178 -7.116 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -4.003 -17.389 -5.894 1.00 1.00 H new ATOM 483 N ARG A 31 0.435 -14.888 -11.786 1.00 1.00 N ATOM 484 CA ARG A 31 1.338 -13.781 -12.180 1.00 1.00 C ATOM 485 C ARG A 31 0.540 -12.524 -12.029 1.00 1.00 C ATOM 486 O ARG A 31 -0.666 -12.565 -12.174 1.00 1.00 O ATOM 487 CB ARG A 31 1.777 -13.913 -13.643 1.00 1.00 C ATOM 488 CG ARG A 31 2.522 -15.230 -13.863 1.00 1.00 C ATOM 489 CD ARG A 31 3.851 -15.279 -13.087 1.00 1.00 C ATOM 490 NE ARG A 31 4.242 -16.712 -12.947 1.00 1.00 N ATOM 491 CZ ARG A 31 4.270 -17.260 -11.761 1.00 1.00 C ATOM 492 NH1 ARG A 31 3.172 -17.296 -11.055 1.00 1.00 N ATOM 493 NH2 ARG A 31 5.395 -17.751 -11.320 1.00 1.00 N ATOM 0 H ARG A 31 -0.158 -15.252 -12.532 1.00 1.00 H new ATOM 0 HA ARG A 31 2.237 -13.788 -11.563 1.00 1.00 H new ATOM 0 HB2 ARG A 31 0.905 -13.868 -14.296 1.00 1.00 H new ATOM 0 HB3 ARG A 31 2.420 -13.075 -13.913 1.00 1.00 H new ATOM 0 HG2 ARG A 31 1.889 -16.061 -13.551 1.00 1.00 H new ATOM 0 HG3 ARG A 31 2.719 -15.362 -14.927 1.00 1.00 H new ATOM 0 HD2 ARG A 31 4.624 -14.722 -13.616 1.00 1.00 H new ATOM 0 HD3 ARG A 31 3.739 -14.816 -12.107 1.00 1.00 H new ATOM 0 HE ARG A 31 4.486 -17.260 -13.772 1.00 1.00 H new ATOM 0 HH11 ARG A 31 2.311 -16.900 -11.431 1.00 1.00 H new ATOM 0 HH12 ARG A 31 3.176 -17.720 -10.127 1.00 1.00 H new ATOM 0 HH21 ARG A 31 6.234 -17.703 -11.898 1.00 1.00 H new ATOM 0 HH22 ARG A 31 5.436 -18.183 -10.397 1.00 1.00 H new ATOM 507 N CYS A 32 1.272 -11.474 -11.769 1.00 1.00 N ATOM 508 CA CYS A 32 0.671 -10.122 -11.564 1.00 1.00 C ATOM 509 C CYS A 32 0.523 -9.106 -12.706 1.00 1.00 C ATOM 510 O CYS A 32 1.454 -8.401 -13.043 1.00 1.00 O ATOM 511 CB CYS A 32 1.459 -9.465 -10.455 1.00 1.00 C ATOM 512 SG CYS A 32 0.752 -9.485 -8.792 1.00 1.00 S ATOM 0 H CYS A 32 2.289 -11.497 -11.688 1.00 1.00 H new ATOM 0 HA CYS A 32 -0.375 -10.364 -11.378 1.00 1.00 H new ATOM 0 HB2 CYS A 32 2.436 -9.945 -10.409 1.00 1.00 H new ATOM 0 HB3 CYS A 32 1.628 -8.425 -10.735 1.00 1.00 H new ATOM 517 N ARG A 33 -0.657 -9.061 -13.267 1.00 1.00 N ATOM 518 CA ARG A 33 -0.941 -8.112 -14.374 1.00 1.00 C ATOM 519 C ARG A 33 -2.132 -7.202 -13.959 1.00 1.00 C ATOM 520 O ARG A 33 -2.475 -7.204 -12.775 1.00 1.00 O ATOM 521 CB ARG A 33 -1.203 -8.982 -15.661 1.00 1.00 C ATOM 522 CG ARG A 33 -2.257 -10.108 -15.518 1.00 1.00 C ATOM 523 CD ARG A 33 -3.688 -9.556 -15.650 1.00 1.00 C ATOM 524 NE ARG A 33 -4.636 -10.643 -15.265 1.00 1.00 N ATOM 525 CZ ARG A 33 -5.538 -11.058 -16.112 1.00 1.00 C ATOM 526 NH1 ARG A 33 -6.697 -10.461 -16.136 1.00 1.00 N ATOM 527 NH2 ARG A 33 -5.248 -12.054 -16.902 1.00 1.00 N ATOM 528 OXT ARG A 33 -2.634 -6.535 -14.850 1.00 1.00 O ATOM 0 H ARG A 33 -1.444 -9.651 -12.998 1.00 1.00 H new ATOM 0 HA ARG A 33 -0.114 -7.436 -14.592 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -1.517 -8.318 -16.466 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -0.259 -9.432 -15.969 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -2.086 -10.868 -16.281 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -2.141 -10.596 -14.550 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -3.823 -8.687 -15.006 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -3.878 -9.228 -16.672 1.00 1.00 H new ATOM 0 HE ARG A 33 -4.579 -11.063 -14.337 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -6.884 -9.685 -15.501 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -7.416 -10.770 -16.790 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -4.329 -12.494 -16.851 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -5.940 -12.393 -17.571 1.00 1.00 H new