USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 286 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.283 K(o=-0.28,f=-3.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.69 USER MOD Single : A 13 GLN : amide:sc= -0.345 K(o=-0.34,f=-2.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.137 K(o=-0.14,f=-0.68) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0426 X(o=-0.043,f=-0.21) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.660 -0.092 11.511 1.00 1.00 N ATOM 2 CA GLY A 1 4.340 -0.386 10.887 1.00 1.00 C ATOM 3 C GLY A 1 3.960 0.567 9.818 1.00 1.00 C ATOM 4 O GLY A 1 3.025 1.346 10.034 1.00 1.00 O ATOM 0 H1 GLY A 1 5.860 -0.797 12.248 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.403 -0.130 10.785 1.00 1.00 H new ATOM 0 H3 GLY A 1 5.639 0.857 11.936 1.00 1.00 H new ATOM 0 HA2 GLY A 1 4.361 -1.394 10.472 1.00 1.00 H new ATOM 0 HA3 GLY A 1 3.572 -0.375 11.661 1.00 1.00 H new ATOM 7 N VAL A 2 4.643 0.559 8.659 1.00 1.00 N ATOM 8 CA VAL A 2 4.135 1.416 7.625 1.00 1.00 C ATOM 9 C VAL A 2 3.313 0.491 6.756 1.00 1.00 C ATOM 10 O VAL A 2 3.797 -0.218 5.873 1.00 1.00 O ATOM 11 CB VAL A 2 5.264 2.079 6.805 1.00 1.00 C ATOM 12 CG1 VAL A 2 5.854 3.255 7.569 1.00 1.00 C ATOM 13 CG2 VAL A 2 6.348 1.068 6.454 1.00 1.00 C ATOM 0 H VAL A 2 5.476 0.012 8.443 1.00 1.00 H new ATOM 0 HA VAL A 2 3.559 2.246 8.035 1.00 1.00 H new ATOM 0 HB VAL A 2 4.836 2.450 5.874 1.00 1.00 H new ATOM 0 HG11 VAL A 2 6.648 3.711 6.978 1.00 1.00 H new ATOM 0 HG12 VAL A 2 5.075 3.992 7.760 1.00 1.00 H new ATOM 0 HG13 VAL A 2 6.263 2.905 8.517 1.00 1.00 H new ATOM 0 HG21 VAL A 2 7.131 1.560 5.877 1.00 1.00 H new ATOM 0 HG22 VAL A 2 6.775 0.659 7.370 1.00 1.00 H new ATOM 0 HG23 VAL A 2 5.915 0.260 5.864 1.00 1.00 H new ATOM 23 N GLU A 3 2.040 0.555 7.073 1.00 1.00 N ATOM 24 CA GLU A 3 0.962 -0.178 6.448 1.00 1.00 C ATOM 25 C GLU A 3 -0.249 0.669 6.640 1.00 1.00 C ATOM 26 O GLU A 3 -0.282 1.482 7.572 1.00 1.00 O ATOM 27 CB GLU A 3 0.783 -1.548 7.120 1.00 1.00 C ATOM 28 CG GLU A 3 0.450 -1.461 8.604 1.00 1.00 C ATOM 29 CD GLU A 3 1.203 -2.479 9.442 1.00 1.00 C ATOM 30 OE1 GLU A 3 2.338 -2.176 9.867 1.00 1.00 O ATOM 31 OE2 GLU A 3 0.655 -3.576 9.681 1.00 1.00 O ATOM 0 H GLU A 3 1.708 1.160 7.824 1.00 1.00 H new ATOM 0 HA GLU A 3 1.156 -0.372 5.393 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -0.011 -2.093 6.609 1.00 1.00 H new ATOM 0 HB3 GLU A 3 1.698 -2.127 6.995 1.00 1.00 H new ATOM 0 HG2 GLU A 3 0.682 -0.459 8.965 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -0.621 -1.608 8.739 1.00 1.00 H new ATOM 38 N ILE A 4 -1.227 0.510 5.817 1.00 1.00 N ATOM 39 CA ILE A 4 -2.428 1.264 6.006 1.00 1.00 C ATOM 40 C ILE A 4 -3.595 0.351 5.725 1.00 1.00 C ATOM 41 O ILE A 4 -3.470 -0.521 4.862 1.00 1.00 O ATOM 42 CB ILE A 4 -2.505 2.519 5.095 1.00 1.00 C ATOM 43 CG1 ILE A 4 -1.763 2.300 3.748 1.00 1.00 C ATOM 44 CG2 ILE A 4 -1.956 3.736 5.829 1.00 1.00 C ATOM 45 CD1 ILE A 4 -0.251 2.309 3.867 1.00 1.00 C ATOM 0 H ILE A 4 -1.226 -0.123 5.017 1.00 1.00 H new ATOM 0 HA ILE A 4 -2.446 1.631 7.032 1.00 1.00 H new ATOM 0 HB ILE A 4 -3.554 2.697 4.857 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -2.078 1.347 3.322 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -2.067 3.078 3.047 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -2.015 4.610 5.180 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -2.543 3.913 6.730 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -0.916 3.557 6.103 1.00 1.00 H new ATOM 0 HD11 ILE A 4 0.192 2.150 2.884 1.00 1.00 H new ATOM 0 HD12 ILE A 4 0.077 3.271 4.262 1.00 1.00 H new ATOM 0 HD13 ILE A 4 0.066 1.513 4.541 1.00 1.00 H new ATOM 57 N ASN A 5 -4.724 0.507 6.418 1.00 1.00 N ATOM 58 CA ASN A 5 -5.813 -0.395 6.116 1.00 1.00 C ATOM 59 C ASN A 5 -6.520 0.120 4.882 1.00 1.00 C ATOM 60 O ASN A 5 -7.221 1.133 4.907 1.00 1.00 O ATOM 61 CB ASN A 5 -6.787 -0.473 7.298 1.00 1.00 C ATOM 62 CG ASN A 5 -7.827 -1.568 7.134 1.00 1.00 C ATOM 63 OD1 ASN A 5 -7.502 -2.756 7.138 1.00 1.00 O ATOM 64 ND2 ASN A 5 -9.086 -1.170 6.994 1.00 1.00 N ATOM 0 H ASN A 5 -4.896 1.203 7.143 1.00 1.00 H new ATOM 0 HA ASN A 5 -5.429 -1.399 5.936 1.00 1.00 H new ATOM 0 HB2 ASN A 5 -6.224 -0.647 8.215 1.00 1.00 H new ATOM 0 HB3 ASN A 5 -7.291 0.487 7.411 1.00 1.00 H new ATOM 0 HD21 ASN A 5 -9.830 -1.859 6.884 1.00 1.00 H new ATOM 0 HD22 ASN A 5 -9.310 -0.175 6.997 1.00 1.00 H new ATOM 71 N VAL A 6 -6.318 -0.613 3.799 1.00 1.00 N ATOM 72 CA VAL A 6 -6.922 -0.314 2.524 1.00 1.00 C ATOM 73 C VAL A 6 -7.303 -1.630 1.848 1.00 1.00 C ATOM 74 O VAL A 6 -6.591 -2.625 2.000 1.00 1.00 O ATOM 75 CB VAL A 6 -6.006 0.604 1.634 1.00 1.00 C ATOM 76 CG1 VAL A 6 -6.340 0.495 0.147 1.00 1.00 C ATOM 77 CG2 VAL A 6 -6.152 2.048 2.088 1.00 1.00 C ATOM 0 H VAL A 6 -5.722 -1.441 3.787 1.00 1.00 H new ATOM 0 HA VAL A 6 -7.829 0.271 2.674 1.00 1.00 H new ATOM 0 HB VAL A 6 -4.977 0.266 1.759 1.00 1.00 H new ATOM 0 HG11 VAL A 6 -5.679 1.148 -0.423 1.00 1.00 H new ATOM 0 HG12 VAL A 6 -6.204 -0.535 -0.182 1.00 1.00 H new ATOM 0 HG13 VAL A 6 -7.375 0.794 -0.016 1.00 1.00 H new ATOM 0 HG21 VAL A 6 -5.519 2.688 1.474 1.00 1.00 H new ATOM 0 HG22 VAL A 6 -7.192 2.359 1.984 1.00 1.00 H new ATOM 0 HG23 VAL A 6 -5.850 2.133 3.132 1.00 1.00 H new ATOM 87 N LYS A 7 -8.404 -1.652 1.113 1.00 1.00 N ATOM 88 CA LYS A 7 -8.797 -2.875 0.432 1.00 1.00 C ATOM 89 C LYS A 7 -7.950 -3.014 -0.825 1.00 1.00 C ATOM 90 O LYS A 7 -8.065 -2.211 -1.751 1.00 1.00 O ATOM 91 CB LYS A 7 -10.290 -2.841 0.079 1.00 1.00 C ATOM 92 CG LYS A 7 -10.920 -4.220 -0.071 1.00 1.00 C ATOM 93 CD LYS A 7 -11.646 -4.655 1.200 1.00 1.00 C ATOM 94 CE LYS A 7 -12.504 -5.887 0.957 1.00 1.00 C ATOM 95 NZ LYS A 7 -13.655 -5.960 1.901 1.00 1.00 N ATOM 0 H LYS A 7 -9.028 -0.857 0.974 1.00 1.00 H new ATOM 0 HA LYS A 7 -8.635 -3.733 1.085 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.824 -2.291 0.854 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -10.421 -2.289 -0.852 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -11.622 -4.210 -0.905 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.146 -4.948 -0.315 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -10.917 -4.866 1.983 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -12.273 -3.839 1.560 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -12.876 -5.874 -0.068 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -11.891 -6.782 1.062 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -14.214 -6.814 1.701 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -13.301 -5.999 2.878 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -14.255 -5.118 1.783 1.00 1.00 H new ATOM 109 N CYS A 8 -7.101 -4.043 -0.863 1.00 1.00 N ATOM 110 CA CYS A 8 -6.218 -4.247 -2.008 1.00 1.00 C ATOM 111 C CYS A 8 -6.362 -5.636 -2.591 1.00 1.00 C ATOM 112 O CYS A 8 -6.787 -6.586 -1.934 1.00 1.00 O ATOM 113 CB CYS A 8 -4.719 -3.998 -1.641 1.00 1.00 C ATOM 114 SG CYS A 8 -3.814 -5.404 -0.887 1.00 1.00 S ATOM 0 H CYS A 8 -7.008 -4.739 -0.123 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.524 -3.516 -2.756 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -4.191 -3.700 -2.547 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -4.672 -3.154 -0.953 1.00 1.00 H new ATOM 119 N SER A 9 -5.996 -5.707 -3.847 1.00 1.00 N ATOM 120 CA SER A 9 -5.993 -6.925 -4.604 1.00 1.00 C ATOM 121 C SER A 9 -4.769 -6.850 -5.493 1.00 1.00 C ATOM 122 O SER A 9 -4.623 -5.898 -6.254 1.00 1.00 O ATOM 123 CB SER A 9 -7.282 -6.987 -5.410 1.00 1.00 C ATOM 124 OG SER A 9 -7.939 -8.233 -5.244 1.00 1.00 O ATOM 0 H SER A 9 -5.685 -4.896 -4.381 1.00 1.00 H new ATOM 0 HA SER A 9 -5.950 -7.823 -3.988 1.00 1.00 H new ATOM 0 HB2 SER A 9 -7.946 -6.180 -5.099 1.00 1.00 H new ATOM 0 HB3 SER A 9 -7.060 -6.829 -6.465 1.00 1.00 H new ATOM 0 HG SER A 9 -8.764 -8.241 -5.773 1.00 1.00 H new ATOM 130 N GLY A 10 -3.908 -7.846 -5.440 1.00 1.00 N ATOM 131 CA GLY A 10 -2.690 -7.765 -6.214 1.00 1.00 C ATOM 132 C GLY A 10 -1.802 -6.638 -5.706 1.00 1.00 C ATOM 133 O GLY A 10 -2.249 -5.809 -4.915 1.00 1.00 O ATOM 0 H GLY A 10 -4.023 -8.695 -4.887 1.00 1.00 H new ATOM 0 HA2 GLY A 10 -2.153 -8.712 -6.156 1.00 1.00 H new ATOM 0 HA3 GLY A 10 -2.931 -7.599 -7.264 1.00 1.00 H new ATOM 137 N SER A 11 -0.556 -6.598 -6.155 1.00 1.00 N ATOM 138 CA SER A 11 0.393 -5.569 -5.718 1.00 1.00 C ATOM 139 C SER A 11 0.035 -4.141 -6.181 1.00 1.00 C ATOM 140 O SER A 11 -0.019 -3.210 -5.364 1.00 1.00 O ATOM 141 CB SER A 11 1.801 -5.929 -6.198 1.00 1.00 C ATOM 142 OG SER A 11 1.762 -6.593 -7.449 1.00 1.00 O ATOM 0 H SER A 11 -0.172 -7.266 -6.824 1.00 1.00 H new ATOM 0 HA SER A 11 0.344 -5.555 -4.629 1.00 1.00 H new ATOM 0 HB2 SER A 11 2.402 -5.023 -6.283 1.00 1.00 H new ATOM 0 HB3 SER A 11 2.288 -6.567 -5.460 1.00 1.00 H new ATOM 0 HG SER A 11 2.675 -6.810 -7.733 1.00 1.00 H new ATOM 148 N PRO A 12 -0.219 -3.928 -7.483 1.00 1.00 N ATOM 149 CA PRO A 12 -0.522 -2.600 -8.035 1.00 1.00 C ATOM 150 C PRO A 12 -1.768 -1.929 -7.478 1.00 1.00 C ATOM 151 O PRO A 12 -1.857 -0.701 -7.468 1.00 1.00 O ATOM 152 CB PRO A 12 -0.652 -2.849 -9.508 1.00 1.00 C ATOM 153 CG PRO A 12 -1.208 -4.158 -9.438 1.00 1.00 C ATOM 154 CD PRO A 12 -0.290 -4.913 -8.546 1.00 1.00 C ATOM 0 HA PRO A 12 0.264 -1.894 -7.765 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -1.308 -2.134 -10.004 1.00 1.00 H new ATOM 0 HB3 PRO A 12 0.304 -2.820 -10.031 1.00 1.00 H new ATOM 0 HG2 PRO A 12 -2.221 -4.137 -9.036 1.00 1.00 H new ATOM 0 HG3 PRO A 12 -1.266 -4.616 -10.425 1.00 1.00 H new ATOM 0 HD2 PRO A 12 -0.700 -5.868 -8.219 1.00 1.00 H new ATOM 0 HD3 PRO A 12 0.677 -5.121 -9.003 1.00 1.00 H new ATOM 162 N GLN A 13 -2.734 -2.718 -7.021 1.00 1.00 N ATOM 163 CA GLN A 13 -3.956 -2.150 -6.463 1.00 1.00 C ATOM 164 C GLN A 13 -3.634 -1.337 -5.215 1.00 1.00 C ATOM 165 O GLN A 13 -4.291 -0.336 -4.939 1.00 1.00 O ATOM 166 CB GLN A 13 -4.964 -3.240 -6.145 1.00 1.00 C ATOM 167 CG GLN A 13 -6.337 -2.715 -5.740 1.00 1.00 C ATOM 168 CD GLN A 13 -7.436 -3.152 -6.693 1.00 1.00 C ATOM 169 OE1 GLN A 13 -7.283 -4.125 -7.433 1.00 1.00 O ATOM 170 NE2 GLN A 13 -8.554 -2.434 -6.680 1.00 1.00 N ATOM 0 H GLN A 13 -2.697 -3.737 -7.025 1.00 1.00 H new ATOM 0 HA GLN A 13 -4.400 -1.489 -7.207 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -5.075 -3.884 -7.018 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -4.571 -3.860 -5.339 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -6.573 -3.064 -4.735 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -6.308 -1.626 -5.700 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -8.640 -1.635 -6.051 1.00 1.00 H new ATOM 0 HE22 GLN A 13 -9.326 -2.682 -7.299 1.00 1.00 H new ATOM 179 N CYS A 14 -2.636 -1.790 -4.447 1.00 1.00 N ATOM 180 CA CYS A 14 -2.197 -1.062 -3.254 1.00 1.00 C ATOM 181 C CYS A 14 -1.270 0.082 -3.675 1.00 1.00 C ATOM 182 O CYS A 14 -1.105 1.071 -2.955 1.00 1.00 O ATOM 183 CB CYS A 14 -1.500 -1.992 -2.249 1.00 1.00 C ATOM 184 SG CYS A 14 -1.090 -1.206 -0.644 1.00 1.00 S ATOM 0 H CYS A 14 -2.121 -2.651 -4.630 1.00 1.00 H new ATOM 0 HA CYS A 14 -3.073 -0.652 -2.752 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -2.142 -2.853 -2.064 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -0.582 -2.370 -2.699 1.00 1.00 H new ATOM 189 N LEU A 15 -0.647 -0.054 -4.847 1.00 1.00 N ATOM 190 CA LEU A 15 0.201 1.009 -5.372 1.00 1.00 C ATOM 191 C LEU A 15 -0.625 2.284 -5.582 1.00 1.00 C ATOM 192 O LEU A 15 -0.114 3.395 -5.441 1.00 1.00 O ATOM 193 CB LEU A 15 0.853 0.583 -6.695 1.00 1.00 C ATOM 194 CG LEU A 15 2.343 0.242 -6.610 1.00 1.00 C ATOM 195 CD1 LEU A 15 2.837 -0.323 -7.934 1.00 1.00 C ATOM 196 CD2 LEU A 15 3.147 1.476 -6.225 1.00 1.00 C ATOM 0 H LEU A 15 -0.714 -0.880 -5.442 1.00 1.00 H new ATOM 0 HA LEU A 15 0.991 1.208 -4.647 1.00 1.00 H new ATOM 0 HB2 LEU A 15 0.320 -0.286 -7.081 1.00 1.00 H new ATOM 0 HB3 LEU A 15 0.722 1.386 -7.421 1.00 1.00 H new ATOM 0 HG LEU A 15 2.481 -0.517 -5.840 1.00 1.00 H new ATOM 0 HD11 LEU A 15 3.898 -0.560 -7.855 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.280 -1.229 -8.174 1.00 1.00 H new ATOM 0 HD13 LEU A 15 2.687 0.414 -8.723 1.00 1.00 H new ATOM 0 HD21 LEU A 15 4.205 1.218 -6.168 1.00 1.00 H new ATOM 0 HD22 LEU A 15 3.003 2.253 -6.976 1.00 1.00 H new ATOM 0 HD23 LEU A 15 2.810 1.842 -5.255 1.00 1.00 H new ATOM 208 N LYS A 16 -1.909 2.115 -5.925 1.00 1.00 N ATOM 209 CA LYS A 16 -2.787 3.261 -6.168 1.00 1.00 C ATOM 210 C LYS A 16 -3.027 4.086 -4.902 1.00 1.00 C ATOM 211 O LYS A 16 -2.813 5.298 -4.914 1.00 1.00 O ATOM 212 CB LYS A 16 -4.127 2.803 -6.758 1.00 1.00 C ATOM 213 CG LYS A 16 -4.711 3.786 -7.769 1.00 1.00 C ATOM 214 CD LYS A 16 -5.831 3.158 -8.586 1.00 1.00 C ATOM 215 CE LYS A 16 -6.118 3.964 -9.845 1.00 1.00 C ATOM 216 NZ LYS A 16 -7.540 3.843 -10.273 1.00 1.00 N ATOM 0 H LYS A 16 -2.356 1.205 -6.039 1.00 1.00 H new ATOM 0 HA LYS A 16 -2.278 3.902 -6.888 1.00 1.00 H new ATOM 0 HB2 LYS A 16 -3.991 1.835 -7.240 1.00 1.00 H new ATOM 0 HB3 LYS A 16 -4.842 2.658 -5.948 1.00 1.00 H new ATOM 0 HG2 LYS A 16 -5.091 4.663 -7.245 1.00 1.00 H new ATOM 0 HG3 LYS A 16 -3.922 4.131 -8.438 1.00 1.00 H new ATOM 0 HD2 LYS A 16 -5.557 2.139 -8.859 1.00 1.00 H new ATOM 0 HD3 LYS A 16 -6.734 3.094 -7.979 1.00 1.00 H new ATOM 0 HE2 LYS A 16 -5.881 5.013 -9.666 1.00 1.00 H new ATOM 0 HE3 LYS A 16 -5.467 3.623 -10.650 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -7.693 4.407 -11.133 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 -7.760 2.846 -10.469 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 -8.161 4.192 -9.516 1.00 1.00 H new ATOM 230 N PRO A 17 -3.474 3.469 -3.787 1.00 1.00 N ATOM 231 CA PRO A 17 -3.674 4.213 -2.537 1.00 1.00 C ATOM 232 C PRO A 17 -2.383 4.933 -2.107 1.00 1.00 C ATOM 233 O PRO A 17 -2.402 6.099 -1.671 1.00 1.00 O ATOM 234 CB PRO A 17 -4.085 3.125 -1.512 1.00 1.00 C ATOM 235 CG PRO A 17 -3.877 1.807 -2.198 1.00 1.00 C ATOM 236 CD PRO A 17 -3.901 2.062 -3.677 1.00 1.00 C ATOM 0 HA PRO A 17 -4.425 4.997 -2.631 1.00 1.00 H new ATOM 0 HB2 PRO A 17 -3.480 3.193 -0.608 1.00 1.00 H new ATOM 0 HB3 PRO A 17 -5.125 3.247 -1.210 1.00 1.00 H new ATOM 0 HG2 PRO A 17 -2.926 1.365 -1.900 1.00 1.00 H new ATOM 0 HG3 PRO A 17 -4.658 1.101 -1.918 1.00 1.00 H new ATOM 0 HD2 PRO A 17 -3.225 1.394 -4.211 1.00 1.00 H new ATOM 0 HD3 PRO A 17 -4.896 1.910 -4.095 1.00 1.00 H new ATOM 244 N CYS A 18 -1.248 4.263 -2.297 1.00 1.00 N ATOM 245 CA CYS A 18 0.039 4.851 -1.936 1.00 1.00 C ATOM 246 C CYS A 18 0.419 5.974 -2.907 1.00 1.00 C ATOM 247 O CYS A 18 1.176 6.876 -2.552 1.00 1.00 O ATOM 248 CB CYS A 18 1.135 3.782 -1.893 1.00 1.00 C ATOM 249 SG CYS A 18 2.269 3.929 -0.465 1.00 1.00 S ATOM 0 H CYS A 18 -1.193 3.325 -2.694 1.00 1.00 H new ATOM 0 HA CYS A 18 -0.057 5.281 -0.939 1.00 1.00 H new ATOM 0 HB2 CYS A 18 0.667 2.798 -1.871 1.00 1.00 H new ATOM 0 HB3 CYS A 18 1.717 3.837 -2.813 1.00 1.00 H new ATOM 254 N LYS A 19 -0.107 5.915 -4.135 1.00 1.00 N ATOM 255 CA LYS A 19 0.178 6.947 -5.134 1.00 1.00 C ATOM 256 C LYS A 19 -0.319 8.302 -4.646 1.00 1.00 C ATOM 257 O LYS A 19 0.392 9.304 -4.732 1.00 1.00 O ATOM 258 CB LYS A 19 -0.475 6.604 -6.477 1.00 1.00 C ATOM 259 CG LYS A 19 -0.199 7.632 -7.567 1.00 1.00 C ATOM 260 CD LYS A 19 -0.918 7.288 -8.864 1.00 1.00 C ATOM 261 CE LYS A 19 -0.714 8.362 -9.926 1.00 1.00 C ATOM 262 NZ LYS A 19 -2.009 8.905 -10.425 1.00 1.00 N ATOM 0 H LYS A 19 -0.726 5.171 -4.458 1.00 1.00 H new ATOM 0 HA LYS A 19 1.258 6.992 -5.278 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -0.116 5.630 -6.808 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -1.552 6.516 -6.336 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -0.516 8.617 -7.226 1.00 1.00 H new ATOM 0 HG3 LYS A 19 0.874 7.688 -7.750 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -0.553 6.332 -9.239 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -1.984 7.168 -8.668 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -0.116 9.173 -9.511 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -0.150 7.945 -10.760 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -1.826 9.632 -11.145 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -2.569 8.136 -10.844 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -2.537 9.326 -9.634 1.00 1.00 H new ATOM 276 N ASP A 20 -1.548 8.327 -4.138 1.00 1.00 N ATOM 277 CA ASP A 20 -2.131 9.555 -3.620 1.00 1.00 C ATOM 278 C ASP A 20 -1.436 9.969 -2.326 1.00 1.00 C ATOM 279 O ASP A 20 -1.468 11.141 -1.948 1.00 1.00 O ATOM 280 CB ASP A 20 -3.634 9.392 -3.380 1.00 1.00 C ATOM 281 CG ASP A 20 -4.398 10.685 -3.605 1.00 1.00 C ATOM 282 OD1 ASP A 20 -5.185 11.074 -2.715 1.00 1.00 O ATOM 283 OD2 ASP A 20 -4.211 11.309 -4.671 1.00 1.00 O ATOM 0 H ASP A 20 -2.156 7.511 -4.075 1.00 1.00 H new ATOM 0 HA ASP A 20 -1.986 10.336 -4.366 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -4.024 8.622 -4.045 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -3.801 9.047 -2.360 1.00 1.00 H new ATOM 288 N ALA A 21 -0.803 9.007 -1.644 1.00 1.00 N ATOM 289 CA ALA A 21 -0.094 9.319 -0.402 1.00 1.00 C ATOM 290 C ALA A 21 1.266 9.996 -0.655 1.00 1.00 C ATOM 291 O ALA A 21 1.921 10.443 0.287 1.00 1.00 O ATOM 292 CB ALA A 21 0.099 8.056 0.424 1.00 1.00 C ATOM 0 H ALA A 21 -0.768 8.027 -1.925 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.711 10.028 0.150 1.00 1.00 H new ATOM 0 HB1 ALA A 21 0.628 8.301 1.345 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.874 7.628 0.666 1.00 1.00 H new ATOM 0 HB3 ALA A 21 0.682 7.333 -0.147 1.00 1.00 H new ATOM 298 N GLY A 22 1.688 10.079 -1.920 1.00 1.00 N ATOM 299 CA GLY A 22 2.943 10.750 -2.245 1.00 1.00 C ATOM 300 C GLY A 22 4.203 9.981 -1.863 1.00 1.00 C ATOM 301 O GLY A 22 5.281 10.571 -1.783 1.00 1.00 O ATOM 0 H GLY A 22 1.187 9.696 -2.721 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.966 10.946 -3.317 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.960 11.718 -1.744 1.00 1.00 H new ATOM 305 N MET A 23 4.087 8.677 -1.622 1.00 1.00 N ATOM 306 CA MET A 23 5.252 7.868 -1.252 1.00 1.00 C ATOM 307 C MET A 23 5.649 6.917 -2.386 1.00 1.00 C ATOM 308 O MET A 23 5.019 6.905 -3.443 1.00 1.00 O ATOM 309 CB MET A 23 4.968 7.084 0.032 1.00 1.00 C ATOM 310 CG MET A 23 5.566 7.727 1.275 1.00 1.00 C ATOM 311 SD MET A 23 4.753 9.276 1.719 1.00 1.00 S ATOM 312 CE MET A 23 6.166 10.357 1.931 1.00 1.00 C ATOM 0 H MET A 23 3.209 8.160 -1.675 1.00 1.00 H new ATOM 0 HA MET A 23 6.089 8.542 -1.073 1.00 1.00 H new ATOM 0 HB2 MET A 23 3.890 6.992 0.162 1.00 1.00 H new ATOM 0 HB3 MET A 23 5.364 6.074 -0.072 1.00 1.00 H new ATOM 0 HG2 MET A 23 5.492 7.031 2.110 1.00 1.00 H new ATOM 0 HG3 MET A 23 6.627 7.913 1.108 1.00 1.00 H new ATOM 0 HE1 MET A 23 5.823 11.354 2.208 1.00 1.00 H new ATOM 0 HE2 MET A 23 6.810 9.964 2.717 1.00 1.00 H new ATOM 0 HE3 MET A 23 6.725 10.412 0.997 1.00 1.00 H new ATOM 322 N ARG A 24 6.703 6.128 -2.162 1.00 1.00 N ATOM 323 CA ARG A 24 7.180 5.179 -3.172 1.00 1.00 C ATOM 324 C ARG A 24 7.279 3.756 -2.604 1.00 1.00 C ATOM 325 O ARG A 24 7.481 3.567 -1.405 1.00 1.00 O ATOM 326 CB ARG A 24 8.552 5.616 -3.710 1.00 1.00 C ATOM 327 CG ARG A 24 8.567 7.012 -4.322 1.00 1.00 C ATOM 328 CD ARG A 24 9.915 7.331 -4.961 1.00 1.00 C ATOM 329 NE ARG A 24 10.068 8.760 -5.247 1.00 1.00 N ATOM 330 CZ ARG A 24 11.224 9.338 -5.583 1.00 1.00 C ATOM 331 NH1 ARG A 24 12.336 8.617 -5.685 1.00 1.00 N ATOM 332 NH2 ARG A 24 11.266 10.643 -5.820 1.00 1.00 N ATOM 0 H ARG A 24 7.240 6.127 -1.295 1.00 1.00 H new ATOM 0 HA ARG A 24 6.455 5.173 -3.986 1.00 1.00 H new ATOM 0 HB2 ARG A 24 9.277 5.580 -2.897 1.00 1.00 H new ATOM 0 HB3 ARG A 24 8.880 4.898 -4.462 1.00 1.00 H new ATOM 0 HG2 ARG A 24 7.781 7.089 -5.073 1.00 1.00 H new ATOM 0 HG3 ARG A 24 8.345 7.750 -3.551 1.00 1.00 H new ATOM 0 HD2 ARG A 24 10.716 7.008 -4.296 1.00 1.00 H new ATOM 0 HD3 ARG A 24 10.020 6.764 -5.886 1.00 1.00 H new ATOM 0 HE ARG A 24 9.239 9.351 -5.186 1.00 1.00 H new ATOM 0 HH11 ARG A 24 12.311 7.613 -5.506 1.00 1.00 H new ATOM 0 HH12 ARG A 24 13.214 9.068 -5.942 1.00 1.00 H new ATOM 0 HH21 ARG A 24 10.416 11.202 -5.745 1.00 1.00 H new ATOM 0 HH22 ARG A 24 12.148 11.087 -6.077 1.00 1.00 H new ATOM 346 N PHE A 25 7.139 2.760 -3.485 1.00 1.00 N ATOM 347 CA PHE A 25 7.222 1.343 -3.099 1.00 1.00 C ATOM 348 C PHE A 25 6.148 0.948 -2.077 1.00 1.00 C ATOM 349 O PHE A 25 5.794 1.728 -1.190 1.00 1.00 O ATOM 350 CB PHE A 25 8.612 1.028 -2.531 1.00 1.00 C ATOM 351 CG PHE A 25 9.756 1.436 -3.425 1.00 1.00 C ATOM 352 CD1 PHE A 25 10.300 0.538 -4.332 1.00 1.00 C ATOM 353 CD2 PHE A 25 10.292 2.712 -3.349 1.00 1.00 C ATOM 354 CE1 PHE A 25 11.356 0.908 -5.147 1.00 1.00 C ATOM 355 CE2 PHE A 25 11.347 3.087 -4.162 1.00 1.00 C ATOM 356 CZ PHE A 25 11.880 2.184 -5.061 1.00 1.00 C ATOM 0 H PHE A 25 6.966 2.909 -4.479 1.00 1.00 H new ATOM 0 HA PHE A 25 7.047 0.759 -4.002 1.00 1.00 H new ATOM 0 HB2 PHE A 25 8.721 1.530 -1.570 1.00 1.00 H new ATOM 0 HB3 PHE A 25 8.679 -0.043 -2.341 1.00 1.00 H new ATOM 0 HD1 PHE A 25 9.895 -0.461 -4.403 1.00 1.00 H new ATOM 0 HD2 PHE A 25 9.881 3.422 -2.647 1.00 1.00 H new ATOM 0 HE1 PHE A 25 11.770 0.200 -5.850 1.00 1.00 H new ATOM 0 HE2 PHE A 25 11.753 4.085 -4.094 1.00 1.00 H new ATOM 0 HZ PHE A 25 12.704 2.474 -5.695 1.00 1.00 H new ATOM 366 N GLY A 26 5.648 -0.290 -2.207 1.00 1.00 N ATOM 367 CA GLY A 26 4.623 -0.796 -1.299 1.00 1.00 C ATOM 368 C GLY A 26 4.333 -2.282 -1.499 1.00 1.00 C ATOM 369 O GLY A 26 4.957 -2.935 -2.338 1.00 1.00 O ATOM 0 H GLY A 26 5.938 -0.950 -2.928 1.00 1.00 H new ATOM 0 HA2 GLY A 26 4.941 -0.628 -0.270 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.704 -0.229 -1.445 1.00 1.00 H new ATOM 373 N LYS A 27 3.381 -2.816 -0.723 1.00 1.00 N ATOM 374 CA LYS A 27 3.005 -4.234 -0.812 1.00 1.00 C ATOM 375 C LYS A 27 1.538 -4.443 -0.396 1.00 1.00 C ATOM 376 O LYS A 27 0.815 -3.476 -0.156 1.00 1.00 O ATOM 377 CB LYS A 27 3.941 -5.085 0.057 1.00 1.00 C ATOM 378 CG LYS A 27 4.930 -5.918 -0.752 1.00 1.00 C ATOM 379 CD LYS A 27 6.363 -5.763 -0.244 1.00 1.00 C ATOM 380 CE LYS A 27 7.241 -6.920 -0.702 1.00 1.00 C ATOM 381 NZ LYS A 27 8.416 -7.121 0.194 1.00 1.00 N ATOM 0 H LYS A 27 2.856 -2.288 -0.026 1.00 1.00 H new ATOM 0 HA LYS A 27 3.106 -4.552 -1.850 1.00 1.00 H new ATOM 0 HB2 LYS A 27 4.494 -4.430 0.730 1.00 1.00 H new ATOM 0 HB3 LYS A 27 3.342 -5.750 0.680 1.00 1.00 H new ATOM 0 HG2 LYS A 27 4.641 -6.968 -0.706 1.00 1.00 H new ATOM 0 HG3 LYS A 27 4.883 -5.620 -1.799 1.00 1.00 H new ATOM 0 HD2 LYS A 27 6.779 -4.823 -0.605 1.00 1.00 H new ATOM 0 HD3 LYS A 27 6.362 -5.714 0.845 1.00 1.00 H new ATOM 0 HE2 LYS A 27 6.648 -7.834 -0.733 1.00 1.00 H new ATOM 0 HE3 LYS A 27 7.588 -6.731 -1.718 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 8.986 -7.918 -0.155 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 8.997 -6.258 0.204 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 8.086 -7.327 1.158 1.00 1.00 H new ATOM 395 N CYS A 28 1.103 -5.708 -0.312 1.00 1.00 N ATOM 396 CA CYS A 28 -0.284 -6.021 0.066 1.00 1.00 C ATOM 397 C CYS A 28 -0.355 -6.964 1.275 1.00 1.00 C ATOM 398 O CYS A 28 0.647 -7.552 1.682 1.00 1.00 O ATOM 399 CB CYS A 28 -1.028 -6.657 -1.114 1.00 1.00 C ATOM 400 SG CYS A 28 -2.121 -5.508 -2.013 1.00 1.00 S ATOM 0 H CYS A 28 1.685 -6.525 -0.499 1.00 1.00 H new ATOM 0 HA CYS A 28 -0.758 -5.079 0.342 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -0.298 -7.067 -1.811 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.622 -7.494 -0.746 1.00 1.00 H new ATOM 405 N MET A 29 -1.561 -7.097 1.838 1.00 1.00 N ATOM 406 CA MET A 29 -1.798 -7.973 2.988 1.00 1.00 C ATOM 407 C MET A 29 -3.287 -8.306 3.125 1.00 1.00 C ATOM 408 O MET A 29 -4.144 -7.554 2.662 1.00 1.00 O ATOM 409 CB MET A 29 -1.274 -7.335 4.276 1.00 1.00 C ATOM 410 CG MET A 29 -0.408 -8.276 5.099 1.00 1.00 C ATOM 411 SD MET A 29 -1.278 -8.966 6.521 1.00 1.00 S ATOM 412 CE MET A 29 -0.382 -10.499 6.751 1.00 1.00 C ATOM 0 H MET A 29 -2.393 -6.605 1.512 1.00 1.00 H new ATOM 0 HA MET A 29 -1.253 -8.902 2.818 1.00 1.00 H new ATOM 0 HB2 MET A 29 -0.696 -6.446 4.025 1.00 1.00 H new ATOM 0 HB3 MET A 29 -2.119 -7.006 4.881 1.00 1.00 H new ATOM 0 HG2 MET A 29 -0.058 -9.090 4.463 1.00 1.00 H new ATOM 0 HG3 MET A 29 0.476 -7.740 5.445 1.00 1.00 H new ATOM 0 HE1 MET A 29 -0.802 -11.043 7.597 1.00 1.00 H new ATOM 0 HE2 MET A 29 -0.465 -11.108 5.851 1.00 1.00 H new ATOM 0 HE3 MET A 29 0.668 -10.281 6.946 1.00 1.00 H new ATOM 422 N ASN A 30 -3.589 -9.442 3.761 1.00 1.00 N ATOM 423 CA ASN A 30 -4.978 -9.880 3.960 1.00 1.00 C ATOM 424 C ASN A 30 -5.846 -8.762 4.545 1.00 1.00 C ATOM 425 O ASN A 30 -5.834 -8.520 5.753 1.00 1.00 O ATOM 426 CB ASN A 30 -5.021 -11.102 4.885 1.00 1.00 C ATOM 427 CG ASN A 30 -6.360 -11.819 4.848 1.00 1.00 C ATOM 428 OD1 ASN A 30 -7.264 -11.513 5.627 1.00 1.00 O ATOM 429 ND2 ASN A 30 -6.491 -12.783 3.944 1.00 1.00 N ATOM 0 H ASN A 30 -2.891 -10.077 4.148 1.00 1.00 H new ATOM 0 HA ASN A 30 -5.381 -10.146 2.983 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -4.233 -11.798 4.598 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -4.811 -10.787 5.907 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -7.366 -13.302 3.876 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -5.716 -13.004 3.318 1.00 1.00 H new ATOM 436 N ARG A 31 -6.598 -8.086 3.672 1.00 1.00 N ATOM 437 CA ARG A 31 -7.492 -6.992 4.075 1.00 1.00 C ATOM 438 C ARG A 31 -6.718 -5.726 4.494 1.00 1.00 C ATOM 439 O ARG A 31 -7.315 -4.781 5.010 1.00 1.00 O ATOM 440 CB ARG A 31 -8.419 -7.443 5.219 1.00 1.00 C ATOM 441 CG ARG A 31 -9.168 -8.743 4.933 1.00 1.00 C ATOM 442 CD ARG A 31 -10.116 -9.113 6.070 1.00 1.00 C ATOM 443 NE ARG A 31 -10.715 -10.438 5.879 1.00 1.00 N ATOM 444 CZ ARG A 31 -11.648 -10.963 6.679 1.00 1.00 C ATOM 445 NH1 ARG A 31 -12.097 -10.286 7.730 1.00 1.00 N ATOM 446 NH2 ARG A 31 -12.133 -12.172 6.425 1.00 1.00 N ATOM 0 H ARG A 31 -6.606 -8.279 2.670 1.00 1.00 H new ATOM 0 HA ARG A 31 -8.092 -6.737 3.202 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -7.827 -7.568 6.125 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -9.144 -6.654 5.419 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -9.734 -8.640 4.007 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -8.451 -9.550 4.781 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -9.573 -9.094 7.015 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -10.906 -8.365 6.141 1.00 1.00 H new ATOM 0 HE ARG A 31 -10.399 -10.995 5.085 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -11.730 -9.356 7.933 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -12.809 -10.696 8.334 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -11.794 -12.699 5.620 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -12.845 -12.574 7.035 1.00 1.00 H new ATOM 460 N LYS A 32 -5.396 -5.706 4.277 1.00 1.00 N ATOM 461 CA LYS A 32 -4.566 -4.550 4.652 1.00 1.00 C ATOM 462 C LYS A 32 -3.544 -4.187 3.560 1.00 1.00 C ATOM 463 O LYS A 32 -3.223 -5.008 2.700 1.00 1.00 O ATOM 464 CB LYS A 32 -3.856 -4.818 5.983 1.00 1.00 C ATOM 465 CG LYS A 32 -4.616 -4.294 7.193 1.00 1.00 C ATOM 466 CD LYS A 32 -4.333 -5.124 8.437 1.00 1.00 C ATOM 467 CE LYS A 32 -5.505 -5.091 9.407 1.00 1.00 C ATOM 468 NZ LYS A 32 -5.188 -5.780 10.690 1.00 1.00 N ATOM 0 H LYS A 32 -4.879 -6.472 3.846 1.00 1.00 H new ATOM 0 HA LYS A 32 -5.232 -3.694 4.765 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -3.705 -5.892 6.096 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -2.868 -4.358 5.958 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -4.337 -3.256 7.377 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -5.686 -4.305 6.984 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -4.127 -6.155 8.149 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -3.439 -4.746 8.932 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -5.779 -4.056 9.610 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -6.371 -5.565 8.945 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -6.013 -5.734 11.322 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -4.952 -6.775 10.501 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -4.378 -5.312 11.144 1.00 1.00 H new ATOM 482 N CYS A 33 -3.036 -2.945 3.607 1.00 1.00 N ATOM 483 CA CYS A 33 -2.051 -2.450 2.628 1.00 1.00 C ATOM 484 C CYS A 33 -0.676 -2.257 3.279 1.00 1.00 C ATOM 485 O CYS A 33 -0.569 -2.153 4.497 1.00 1.00 O ATOM 486 CB CYS A 33 -2.470 -1.073 2.104 1.00 1.00 C ATOM 487 SG CYS A 33 -2.877 -1.030 0.317 1.00 1.00 S ATOM 0 H CYS A 33 -3.293 -2.260 4.318 1.00 1.00 H new ATOM 0 HA CYS A 33 -2.003 -3.189 1.828 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -3.337 -0.732 2.669 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -1.665 -0.364 2.297 1.00 1.00 H new ATOM 492 N HIS A 34 0.369 -2.214 2.454 1.00 1.00 N ATOM 493 CA HIS A 34 1.725 -1.960 2.940 1.00 1.00 C ATOM 494 C HIS A 34 2.367 -0.799 2.160 1.00 1.00 C ATOM 495 O HIS A 34 2.461 -0.858 0.934 1.00 1.00 O ATOM 496 CB HIS A 34 2.583 -3.227 2.825 1.00 1.00 C ATOM 497 CG HIS A 34 3.050 -3.754 4.149 1.00 1.00 C ATOM 498 ND1 HIS A 34 2.190 -4.113 5.166 1.00 1.00 N ATOM 499 CD2 HIS A 34 4.301 -3.987 4.621 1.00 1.00 C ATOM 500 CE1 HIS A 34 2.885 -4.541 6.204 1.00 1.00 C ATOM 501 NE2 HIS A 34 4.169 -4.476 5.899 1.00 1.00 N ATOM 0 H HIS A 34 0.303 -2.352 1.446 1.00 1.00 H new ATOM 0 HA HIS A 34 1.668 -1.678 3.991 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.008 -4.001 2.317 1.00 1.00 H new ATOM 0 HB3 HIS A 34 3.451 -3.013 2.201 1.00 1.00 H new ATOM 0 HD2 HIS A 34 5.227 -3.820 4.091 1.00 1.00 H new ATOM 0 HE1 HIS A 34 2.474 -4.885 7.142 1.00 1.00 H new ATOM 0 HE2 HIS A 34 4.938 -4.745 6.513 1.00 1.00 H new ATOM 509 N CYS A 35 2.806 0.255 2.861 1.00 1.00 N ATOM 510 CA CYS A 35 3.459 1.393 2.194 1.00 1.00 C ATOM 511 C CYS A 35 4.857 1.630 2.780 1.00 1.00 C ATOM 512 O CYS A 35 5.085 1.358 3.958 1.00 1.00 O ATOM 513 CB CYS A 35 2.634 2.680 2.307 1.00 1.00 C ATOM 514 SG CYS A 35 1.361 2.856 1.006 1.00 1.00 S ATOM 0 H CYS A 35 2.724 0.345 3.874 1.00 1.00 H new ATOM 0 HA CYS A 35 3.541 1.136 1.138 1.00 1.00 H new ATOM 0 HB2 CYS A 35 2.149 2.705 3.283 1.00 1.00 H new ATOM 0 HB3 CYS A 35 3.306 3.537 2.263 1.00 1.00 H new ATOM 519 N THR A 36 5.798 2.127 1.968 1.00 1.00 N ATOM 520 CA THR A 36 7.157 2.391 2.463 1.00 1.00 C ATOM 521 C THR A 36 7.609 3.831 2.169 1.00 1.00 C ATOM 522 O THR A 36 7.929 4.160 1.026 1.00 1.00 O ATOM 523 CB THR A 36 8.178 1.419 1.834 1.00 1.00 C ATOM 524 OG1 THR A 36 7.729 0.068 1.991 1.00 1.00 O ATOM 525 CG2 THR A 36 9.550 1.577 2.475 1.00 1.00 C ATOM 0 H THR A 36 5.650 2.351 0.984 1.00 1.00 H new ATOM 0 HA THR A 36 7.121 2.244 3.542 1.00 1.00 H new ATOM 0 HB THR A 36 8.261 1.656 0.773 1.00 1.00 H new ATOM 0 HG1 THR A 36 8.381 -0.542 1.588 1.00 1.00 H new ATOM 0 HG21 THR A 36 10.250 0.880 2.013 1.00 1.00 H new ATOM 0 HG22 THR A 36 9.904 2.597 2.329 1.00 1.00 H new ATOM 0 HG23 THR A 36 9.479 1.366 3.542 1.00 1.00 H new ATOM 533 N PRO A 37 7.643 4.714 3.196 1.00 1.00 N ATOM 534 CA PRO A 37 8.070 6.110 3.027 1.00 1.00 C ATOM 535 C PRO A 37 9.595 6.260 2.907 1.00 1.00 C ATOM 536 O PRO A 37 10.345 5.419 3.403 1.00 1.00 O ATOM 537 CB PRO A 37 7.563 6.784 4.297 1.00 1.00 C ATOM 538 CG PRO A 37 7.610 5.710 5.324 1.00 1.00 C ATOM 539 CD PRO A 37 7.274 4.431 4.601 1.00 1.00 C ATOM 0 HA PRO A 37 7.680 6.544 2.107 1.00 1.00 H new ATOM 0 HB2 PRO A 37 8.191 7.630 4.577 1.00 1.00 H new ATOM 0 HB3 PRO A 37 6.551 7.167 4.168 1.00 1.00 H new ATOM 0 HG2 PRO A 37 8.597 5.651 5.783 1.00 1.00 H new ATOM 0 HG3 PRO A 37 6.897 5.904 6.125 1.00 1.00 H new ATOM 0 HD2 PRO A 37 7.836 3.586 5.000 1.00 1.00 H new ATOM 0 HD3 PRO A 37 6.217 4.184 4.695 1.00 1.00 H new ATOM 547 N LYS A 38 10.053 7.336 2.254 1.00 1.00 N ATOM 548 CA LYS A 38 11.495 7.590 2.086 1.00 1.00 C ATOM 549 C LYS A 38 12.241 7.489 3.421 1.00 1.00 C ATOM 550 O LYS A 38 11.773 8.094 4.407 1.00 1.00 O ATOM 551 CB LYS A 38 11.733 8.978 1.472 1.00 1.00 C ATOM 552 CG LYS A 38 13.208 9.315 1.265 1.00 1.00 C ATOM 553 CD LYS A 38 13.431 10.815 1.124 1.00 1.00 C ATOM 554 CE LYS A 38 14.901 11.183 1.289 1.00 1.00 C ATOM 555 NZ LYS A 38 15.127 12.657 1.213 1.00 1.00 N ATOM 556 OXT LYS A 38 13.289 6.810 3.461 1.00 1.00 O ATOM 0 H LYS A 38 9.451 8.044 1.834 1.00 1.00 H new ATOM 0 HA LYS A 38 11.882 6.825 1.413 1.00 1.00 H new ATOM 0 HB2 LYS A 38 11.219 9.034 0.512 1.00 1.00 H new ATOM 0 HB3 LYS A 38 11.285 9.733 2.118 1.00 1.00 H new ATOM 0 HG2 LYS A 38 13.788 8.939 2.107 1.00 1.00 H new ATOM 0 HG3 LYS A 38 13.575 8.807 0.373 1.00 1.00 H new ATOM 0 HD2 LYS A 38 13.081 11.145 0.146 1.00 1.00 H new ATOM 0 HD3 LYS A 38 12.837 11.343 1.870 1.00 1.00 H new ATOM 0 HE2 LYS A 38 15.261 10.811 2.248 1.00 1.00 H new ATOM 0 HE3 LYS A 38 15.487 10.687 0.515 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 16.140 12.859 1.330 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 14.808 13.010 0.288 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 14.590 13.130 1.968 1.00 1.00 H new TER 570 LYS A 38