USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=4 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=-0.00873 K(o=-0.0087,f=-1.3) 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= 0.0991 USER MOD Single : A 13 GLN : amide:sc= -0.0433 X(o=-0.043,f=-0.42) 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 172:sc= -3.2 (180deg=-3.31) 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= -0.0216 K(o=-0.022,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) 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 5.370 0.431 11.631 1.00 1.00 N ATOM 2 CA GLY A 1 4.105 0.066 10.936 1.00 1.00 C ATOM 3 C GLY A 1 3.771 0.951 9.794 1.00 1.00 C ATOM 4 O GLY A 1 2.840 1.754 9.928 1.00 1.00 O ATOM 0 H1 GLY A 1 5.538 -0.230 12.416 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.162 0.379 10.959 1.00 1.00 H new ATOM 0 H3 GLY A 1 5.295 1.399 12.004 1.00 1.00 H new ATOM 0 HA2 GLY A 1 4.182 -0.960 10.577 1.00 1.00 H new ATOM 0 HA3 GLY A 1 3.286 0.092 11.655 1.00 1.00 H new ATOM 7 N VAL A 2 4.492 0.858 8.661 1.00 1.00 N ATOM 8 CA VAL A 2 4.030 1.652 7.556 1.00 1.00 C ATOM 9 C VAL A 2 3.229 0.685 6.714 1.00 1.00 C ATOM 10 O VAL A 2 3.736 -0.076 5.890 1.00 1.00 O ATOM 11 CB VAL A 2 5.193 2.245 6.732 1.00 1.00 C ATOM 12 CG1 VAL A 2 5.767 3.471 7.427 1.00 1.00 C ATOM 13 CG2 VAL A 2 6.279 1.204 6.496 1.00 1.00 C ATOM 0 H VAL A 2 5.324 0.287 8.509 1.00 1.00 H new ATOM 0 HA VAL A 2 3.451 2.510 7.898 1.00 1.00 H new ATOM 0 HB VAL A 2 4.801 2.549 5.761 1.00 1.00 H new ATOM 0 HG11 VAL A 2 6.586 3.876 6.832 1.00 1.00 H new ATOM 0 HG12 VAL A 2 4.988 4.226 7.535 1.00 1.00 H new ATOM 0 HG13 VAL A 2 6.139 3.190 8.412 1.00 1.00 H new ATOM 0 HG21 VAL A 2 7.087 1.647 5.913 1.00 1.00 H new ATOM 0 HG22 VAL A 2 6.669 0.861 7.454 1.00 1.00 H new ATOM 0 HG23 VAL A 2 5.860 0.358 5.951 1.00 1.00 H new ATOM 23 N GLU A 3 1.947 0.772 6.986 1.00 1.00 N ATOM 24 CA GLU A 3 0.884 0.018 6.362 1.00 1.00 C ATOM 25 C GLU A 3 -0.334 0.865 6.500 1.00 1.00 C ATOM 26 O GLU A 3 -0.381 1.723 7.391 1.00 1.00 O ATOM 27 CB GLU A 3 0.689 -1.330 7.065 1.00 1.00 C ATOM 28 CG GLU A 3 0.611 -1.217 8.581 1.00 1.00 C ATOM 29 CD GLU A 3 0.642 -2.565 9.277 1.00 1.00 C ATOM 30 OE1 GLU A 3 1.269 -2.663 10.354 1.00 1.00 O ATOM 31 OE2 GLU A 3 0.038 -3.522 8.748 1.00 1.00 O ATOM 0 H GLU A 3 1.596 1.414 7.696 1.00 1.00 H new ATOM 0 HA GLU A 3 1.106 -0.206 5.319 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -0.225 -1.795 6.695 1.00 1.00 H new ATOM 0 HB3 GLU A 3 1.513 -1.992 6.800 1.00 1.00 H new ATOM 0 HG2 GLU A 3 1.443 -0.610 8.938 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -0.305 -0.694 8.854 1.00 1.00 H new ATOM 38 N ILE A 4 -1.303 0.667 5.674 1.00 1.00 N ATOM 39 CA ILE A 4 -2.514 1.415 5.820 1.00 1.00 C ATOM 40 C ILE A 4 -3.673 0.457 5.681 1.00 1.00 C ATOM 41 O ILE A 4 -3.552 -0.505 4.914 1.00 1.00 O ATOM 42 CB ILE A 4 -2.624 2.529 4.750 1.00 1.00 C ATOM 43 CG1 ILE A 4 -2.659 1.911 3.332 1.00 1.00 C ATOM 44 CG2 ILE A 4 -1.466 3.506 4.879 1.00 1.00 C ATOM 45 CD1 ILE A 4 -3.008 2.887 2.236 1.00 1.00 C ATOM 0 H ILE A 4 -1.287 0.004 4.899 1.00 1.00 H new ATOM 0 HA ILE A 4 -2.523 1.898 6.797 1.00 1.00 H new ATOM 0 HB ILE A 4 -3.553 3.075 4.911 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.685 1.473 3.115 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -3.384 1.097 3.321 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -1.559 4.282 4.120 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -1.484 3.962 5.869 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -0.524 2.974 4.741 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -3.010 2.371 1.276 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -3.996 3.307 2.424 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -2.271 3.689 2.215 1.00 1.00 H new ATOM 57 N ASN A 5 -4.789 0.662 6.384 1.00 1.00 N ATOM 58 CA ASN A 5 -5.868 -0.271 6.170 1.00 1.00 C ATOM 59 C ASN A 5 -6.550 0.174 4.898 1.00 1.00 C ATOM 60 O ASN A 5 -7.257 1.182 4.860 1.00 1.00 O ATOM 61 CB ASN A 5 -6.848 -0.258 7.349 1.00 1.00 C ATOM 62 CG ASN A 5 -7.914 -1.333 7.238 1.00 1.00 C ATOM 63 OD1 ASN A 5 -7.875 -2.173 6.339 1.00 1.00 O ATOM 64 ND2 ASN A 5 -8.876 -1.311 8.154 1.00 1.00 N ATOM 0 H ASN A 5 -4.955 1.411 7.056 1.00 1.00 H new ATOM 0 HA ASN A 5 -5.499 -1.293 6.089 1.00 1.00 H new ATOM 0 HB2 ASN A 5 -6.294 -0.396 8.278 1.00 1.00 H new ATOM 0 HB3 ASN A 5 -7.328 0.719 7.406 1.00 1.00 H new ATOM 0 HD21 ASN A 5 -9.620 -2.008 8.129 1.00 1.00 H new ATOM 0 HD22 ASN A 5 -8.870 -0.597 8.882 1.00 1.00 H new ATOM 71 N VAL A 6 -6.326 -0.610 3.859 1.00 1.00 N ATOM 72 CA VAL A 6 -6.887 -0.346 2.558 1.00 1.00 C ATOM 73 C VAL A 6 -7.299 -1.664 1.904 1.00 1.00 C ATOM 74 O VAL A 6 -6.638 -2.684 2.106 1.00 1.00 O ATOM 75 CB VAL A 6 -5.913 0.531 1.660 1.00 1.00 C ATOM 76 CG1 VAL A 6 -5.700 -0.037 0.259 1.00 1.00 C ATOM 77 CG2 VAL A 6 -6.457 1.950 1.557 1.00 1.00 C ATOM 0 H VAL A 6 -5.747 -1.449 3.900 1.00 1.00 H new ATOM 0 HA VAL A 6 -7.786 0.260 2.669 1.00 1.00 H new ATOM 0 HB VAL A 6 -4.940 0.522 2.152 1.00 1.00 H new ATOM 0 HG11 VAL A 6 -5.025 0.612 -0.298 1.00 1.00 H new ATOM 0 HG12 VAL A 6 -5.266 -1.034 0.333 1.00 1.00 H new ATOM 0 HG13 VAL A 6 -6.657 -0.095 -0.259 1.00 1.00 H new ATOM 0 HG21 VAL A 6 -5.789 2.552 0.941 1.00 1.00 H new ATOM 0 HG22 VAL A 6 -7.448 1.928 1.103 1.00 1.00 H new ATOM 0 HG23 VAL A 6 -6.524 2.387 2.553 1.00 1.00 H new ATOM 87 N LYS A 7 -8.376 -1.657 1.133 1.00 1.00 N ATOM 88 CA LYS A 7 -8.783 -2.870 0.447 1.00 1.00 C ATOM 89 C LYS A 7 -7.902 -3.026 -0.788 1.00 1.00 C ATOM 90 O LYS A 7 -7.982 -2.222 -1.717 1.00 1.00 O ATOM 91 CB LYS A 7 -10.261 -2.802 0.040 1.00 1.00 C ATOM 92 CG LYS A 7 -11.224 -2.750 1.220 1.00 1.00 C ATOM 93 CD LYS A 7 -11.820 -4.123 1.525 1.00 1.00 C ATOM 94 CE LYS A 7 -13.046 -4.013 2.419 1.00 1.00 C ATOM 95 NZ LYS A 7 -14.081 -5.029 2.075 1.00 1.00 N ATOM 0 H LYS A 7 -8.971 -0.845 0.970 1.00 1.00 H new ATOM 0 HA LYS A 7 -8.667 -3.727 1.111 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.416 -1.921 -0.582 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -10.499 -3.671 -0.573 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -10.701 -2.377 2.100 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -12.027 -2.045 1.004 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -12.092 -4.618 0.593 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -11.069 -4.747 2.010 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -12.748 -4.137 3.460 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -13.473 -3.015 2.327 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -14.899 -4.919 2.708 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -14.385 -4.895 1.089 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -13.682 -5.983 2.187 1.00 1.00 H new ATOM 109 N CYS A 8 -7.064 -4.062 -0.801 1.00 1.00 N ATOM 110 CA CYS A 8 -6.161 -4.281 -1.927 1.00 1.00 C ATOM 111 C CYS A 8 -6.300 -5.679 -2.494 1.00 1.00 C ATOM 112 O CYS A 8 -6.739 -6.618 -1.830 1.00 1.00 O ATOM 113 CB CYS A 8 -4.668 -4.026 -1.542 1.00 1.00 C ATOM 114 SG CYS A 8 -3.756 -5.430 -0.795 1.00 1.00 S ATOM 0 H CYS A 8 -6.992 -4.754 -0.055 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.451 -3.558 -2.690 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -4.134 -3.713 -2.439 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -4.635 -3.190 -0.844 1.00 1.00 H new ATOM 119 N SER A 9 -5.915 -5.770 -3.742 1.00 1.00 N ATOM 120 CA SER A 9 -5.898 -7.000 -4.479 1.00 1.00 C ATOM 121 C SER A 9 -4.679 -6.913 -5.375 1.00 1.00 C ATOM 122 O SER A 9 -4.565 -5.980 -6.165 1.00 1.00 O ATOM 123 CB SER A 9 -7.200 -7.094 -5.269 1.00 1.00 C ATOM 124 OG SER A 9 -6.998 -7.599 -6.580 1.00 1.00 O ATOM 0 H SER A 9 -5.597 -4.967 -4.284 1.00 1.00 H new ATOM 0 HA SER A 9 -5.834 -7.893 -3.857 1.00 1.00 H new ATOM 0 HB2 SER A 9 -7.900 -7.739 -4.737 1.00 1.00 H new ATOM 0 HB3 SER A 9 -7.659 -6.107 -5.329 1.00 1.00 H new ATOM 0 HG SER A 9 -7.857 -7.644 -7.049 1.00 1.00 H new ATOM 130 N GLY A 10 -3.791 -7.885 -5.302 1.00 1.00 N ATOM 131 CA GLY A 10 -2.577 -7.786 -6.083 1.00 1.00 C ATOM 132 C GLY A 10 -1.745 -6.594 -5.632 1.00 1.00 C ATOM 133 O GLY A 10 -2.236 -5.745 -4.889 1.00 1.00 O ATOM 0 H GLY A 10 -3.882 -8.725 -4.730 1.00 1.00 H new ATOM 0 HA2 GLY A 10 -1.996 -8.702 -5.979 1.00 1.00 H new ATOM 0 HA3 GLY A 10 -2.825 -7.684 -7.139 1.00 1.00 H new ATOM 137 N SER A 11 -0.500 -6.515 -6.077 1.00 1.00 N ATOM 138 CA SER A 11 0.385 -5.416 -5.682 1.00 1.00 C ATOM 139 C SER A 11 -0.072 -4.046 -6.227 1.00 1.00 C ATOM 140 O SER A 11 -0.127 -3.063 -5.482 1.00 1.00 O ATOM 141 CB SER A 11 1.825 -5.705 -6.132 1.00 1.00 C ATOM 142 OG SER A 11 1.945 -7.005 -6.688 1.00 1.00 O ATOM 0 H SER A 11 -0.076 -7.193 -6.710 1.00 1.00 H new ATOM 0 HA SER A 11 0.341 -5.356 -4.595 1.00 1.00 H new ATOM 0 HB2 SER A 11 2.133 -4.963 -6.869 1.00 1.00 H new ATOM 0 HB3 SER A 11 2.500 -5.608 -5.281 1.00 1.00 H new ATOM 0 HG SER A 11 2.872 -7.158 -6.966 1.00 1.00 H new ATOM 148 N PRO A 12 -0.407 -3.960 -7.528 1.00 1.00 N ATOM 149 CA PRO A 12 -0.815 -2.695 -8.168 1.00 1.00 C ATOM 150 C PRO A 12 -1.972 -1.980 -7.479 1.00 1.00 C ATOM 151 O PRO A 12 -2.000 -0.749 -7.427 1.00 1.00 O ATOM 152 CB PRO A 12 -1.254 -3.138 -9.556 1.00 1.00 C ATOM 153 CG PRO A 12 -0.428 -4.345 -9.813 1.00 1.00 C ATOM 154 CD PRO A 12 -0.380 -5.067 -8.496 1.00 1.00 C ATOM 0 HA PRO A 12 0.002 -1.974 -8.140 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -2.319 -3.367 -9.586 1.00 1.00 H new ATOM 0 HB3 PRO A 12 -1.074 -2.362 -10.300 1.00 1.00 H new ATOM 0 HG2 PRO A 12 -0.870 -4.969 -10.590 1.00 1.00 H new ATOM 0 HG3 PRO A 12 0.572 -4.075 -10.152 1.00 1.00 H new ATOM 0 HD2 PRO A 12 -1.229 -5.738 -8.369 1.00 1.00 H new ATOM 0 HD3 PRO A 12 0.521 -5.672 -8.397 1.00 1.00 H new ATOM 162 N GLN A 13 -2.937 -2.733 -6.966 1.00 1.00 N ATOM 163 CA GLN A 13 -4.081 -2.121 -6.299 1.00 1.00 C ATOM 164 C GLN A 13 -3.633 -1.307 -5.090 1.00 1.00 C ATOM 165 O GLN A 13 -4.218 -0.273 -4.795 1.00 1.00 O ATOM 166 CB GLN A 13 -5.093 -3.175 -5.879 1.00 1.00 C ATOM 167 CG GLN A 13 -5.873 -3.775 -7.044 1.00 1.00 C ATOM 168 CD GLN A 13 -6.909 -2.824 -7.615 1.00 1.00 C ATOM 169 OE1 GLN A 13 -7.631 -2.155 -6.875 1.00 1.00 O ATOM 170 NE2 GLN A 13 -6.990 -2.762 -8.940 1.00 1.00 N ATOM 0 H GLN A 13 -2.953 -3.752 -6.997 1.00 1.00 H new ATOM 0 HA GLN A 13 -4.560 -1.448 -7.010 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -4.574 -3.975 -5.351 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -5.795 -2.731 -5.174 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -5.176 -4.061 -7.832 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -6.369 -4.687 -6.711 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -6.372 -3.334 -9.516 1.00 1.00 H new ATOM 0 HE22 GLN A 13 -7.670 -2.143 -9.381 1.00 1.00 H new ATOM 179 N CYS A 14 -2.607 -1.787 -4.382 1.00 1.00 N ATOM 180 CA CYS A 14 -2.074 -1.058 -3.228 1.00 1.00 C ATOM 181 C CYS A 14 -1.226 0.123 -3.710 1.00 1.00 C ATOM 182 O CYS A 14 -1.057 1.115 -2.994 1.00 1.00 O ATOM 183 CB CYS A 14 -1.250 -1.980 -2.316 1.00 1.00 C ATOM 184 SG CYS A 14 -0.881 -1.280 -0.663 1.00 1.00 S ATOM 0 H CYS A 14 -2.133 -2.667 -4.584 1.00 1.00 H new ATOM 0 HA CYS A 14 -2.912 -0.681 -2.641 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -1.789 -2.919 -2.187 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -0.310 -2.218 -2.814 1.00 1.00 H new ATOM 189 N LEU A 15 -0.704 0.017 -4.934 1.00 1.00 N ATOM 190 CA LEU A 15 0.088 1.090 -5.519 1.00 1.00 C ATOM 191 C LEU A 15 -0.750 2.364 -5.693 1.00 1.00 C ATOM 192 O LEU A 15 -0.224 3.473 -5.591 1.00 1.00 O ATOM 193 CB LEU A 15 0.670 0.650 -6.873 1.00 1.00 C ATOM 194 CG LEU A 15 2.163 0.310 -6.868 1.00 1.00 C ATOM 195 CD1 LEU A 15 2.631 -0.040 -8.272 1.00 1.00 C ATOM 196 CD2 LEU A 15 2.972 1.472 -6.311 1.00 1.00 C ATOM 0 H LEU A 15 -0.817 -0.800 -5.534 1.00 1.00 H new ATOM 0 HA LEU A 15 0.908 1.312 -4.836 1.00 1.00 H new ATOM 0 HB2 LEU A 15 0.117 -0.223 -7.220 1.00 1.00 H new ATOM 0 HB3 LEU A 15 0.498 1.445 -7.598 1.00 1.00 H new ATOM 0 HG LEU A 15 2.318 -0.557 -6.225 1.00 1.00 H new ATOM 0 HD11 LEU A 15 3.694 -0.279 -8.252 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.072 -0.901 -8.638 1.00 1.00 H new ATOM 0 HD13 LEU A 15 2.463 0.809 -8.934 1.00 1.00 H new ATOM 0 HD21 LEU A 15 4.031 1.213 -6.315 1.00 1.00 H new ATOM 0 HD22 LEU A 15 2.812 2.356 -6.929 1.00 1.00 H new ATOM 0 HD23 LEU A 15 2.653 1.681 -5.290 1.00 1.00 H new ATOM 208 N LYS A 16 -2.053 2.209 -5.958 1.00 1.00 N ATOM 209 CA LYS A 16 -2.919 3.374 -6.160 1.00 1.00 C ATOM 210 C LYS A 16 -3.087 4.184 -4.872 1.00 1.00 C ATOM 211 O LYS A 16 -2.844 5.391 -4.868 1.00 1.00 O ATOM 212 CB LYS A 16 -4.288 2.942 -6.710 1.00 1.00 C ATOM 213 CG LYS A 16 -4.640 3.593 -8.046 1.00 1.00 C ATOM 214 CD LYS A 16 -6.024 3.179 -8.523 1.00 1.00 C ATOM 215 CE LYS A 16 -6.303 3.680 -9.934 1.00 1.00 C ATOM 216 NZ LYS A 16 -7.764 3.811 -10.209 1.00 1.00 N ATOM 0 H LYS A 16 -2.522 1.307 -6.036 1.00 1.00 H new ATOM 0 HA LYS A 16 -2.436 4.019 -6.894 1.00 1.00 H new ATOM 0 HB2 LYS A 16 -4.298 1.859 -6.829 1.00 1.00 H new ATOM 0 HB3 LYS A 16 -5.059 3.189 -5.980 1.00 1.00 H new ATOM 0 HG2 LYS A 16 -4.599 4.678 -7.945 1.00 1.00 H new ATOM 0 HG3 LYS A 16 -3.898 3.314 -8.794 1.00 1.00 H new ATOM 0 HD2 LYS A 16 -6.108 2.093 -8.499 1.00 1.00 H new ATOM 0 HD3 LYS A 16 -6.778 3.572 -7.841 1.00 1.00 H new ATOM 0 HE2 LYS A 16 -5.821 4.647 -10.076 1.00 1.00 H new ATOM 0 HE3 LYS A 16 -5.860 2.994 -10.655 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -7.905 4.155 -11.180 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 -8.222 2.884 -10.100 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 -8.184 4.486 -9.539 1.00 1.00 H new ATOM 230 N PRO A 17 -3.506 3.551 -3.758 1.00 1.00 N ATOM 231 CA PRO A 17 -3.645 4.260 -2.471 1.00 1.00 C ATOM 232 C PRO A 17 -2.337 4.947 -2.040 1.00 1.00 C ATOM 233 O PRO A 17 -2.340 6.094 -1.560 1.00 1.00 O ATOM 234 CB PRO A 17 -4.040 3.120 -1.508 1.00 1.00 C ATOM 235 CG PRO A 17 -4.762 2.163 -2.395 1.00 1.00 C ATOM 236 CD PRO A 17 -3.989 2.154 -3.672 1.00 1.00 C ATOM 0 HA PRO A 17 -4.370 5.073 -2.505 1.00 1.00 H new ATOM 0 HB2 PRO A 17 -3.166 2.661 -1.047 1.00 1.00 H new ATOM 0 HB3 PRO A 17 -4.676 3.478 -0.699 1.00 1.00 H new ATOM 0 HG2 PRO A 17 -4.801 1.168 -1.952 1.00 1.00 H new ATOM 0 HG3 PRO A 17 -5.792 2.479 -2.560 1.00 1.00 H new ATOM 0 HD2 PRO A 17 -3.166 1.440 -3.644 1.00 1.00 H new ATOM 0 HD3 PRO A 17 -4.614 1.887 -4.524 1.00 1.00 H new ATOM 244 N CYS A 18 -1.208 4.280 -2.270 1.00 1.00 N ATOM 245 CA CYS A 18 0.083 4.856 -1.903 1.00 1.00 C ATOM 246 C CYS A 18 0.484 5.962 -2.883 1.00 1.00 C ATOM 247 O CYS A 18 1.248 6.862 -2.530 1.00 1.00 O ATOM 248 CB CYS A 18 1.167 3.774 -1.832 1.00 1.00 C ATOM 249 SG CYS A 18 2.338 3.976 -0.440 1.00 1.00 S ATOM 0 H CYS A 18 -1.160 3.357 -2.701 1.00 1.00 H new ATOM 0 HA CYS A 18 -0.017 5.299 -0.912 1.00 1.00 H new ATOM 0 HB2 CYS A 18 0.687 2.799 -1.750 1.00 1.00 H new ATOM 0 HB3 CYS A 18 1.728 3.775 -2.767 1.00 1.00 H new ATOM 254 N LYS A 19 -0.035 5.897 -4.112 1.00 1.00 N ATOM 255 CA LYS A 19 0.266 6.913 -5.119 1.00 1.00 C ATOM 256 C LYS A 19 -0.221 8.279 -4.648 1.00 1.00 C ATOM 257 O LYS A 19 0.464 9.289 -4.814 1.00 1.00 O ATOM 258 CB LYS A 19 -0.388 6.565 -6.461 1.00 1.00 C ATOM 259 CG LYS A 19 -0.069 7.563 -7.569 1.00 1.00 C ATOM 260 CD LYS A 19 -0.934 7.334 -8.799 1.00 1.00 C ATOM 261 CE LYS A 19 -0.566 8.291 -9.925 1.00 1.00 C ATOM 262 NZ LYS A 19 -1.334 8.010 -11.169 1.00 1.00 N ATOM 0 H LYS A 19 -0.661 5.157 -4.430 1.00 1.00 H new ATOM 0 HA LYS A 19 1.347 6.943 -5.258 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -0.059 5.573 -6.770 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -1.469 6.515 -6.328 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -0.222 8.577 -7.200 1.00 1.00 H new ATOM 0 HG3 LYS A 19 0.983 7.479 -7.843 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -0.817 6.306 -9.141 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -1.984 7.465 -8.537 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -0.755 9.316 -9.606 1.00 1.00 H new ATOM 0 HE3 LYS A 19 0.501 8.213 -10.132 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -1.053 8.684 -11.910 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -1.134 7.041 -11.489 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -2.352 8.109 -10.979 1.00 1.00 H new ATOM 276 N ASP A 20 -1.414 8.298 -4.062 1.00 1.00 N ATOM 277 CA ASP A 20 -1.993 9.533 -3.553 1.00 1.00 C ATOM 278 C ASP A 20 -1.338 9.932 -2.231 1.00 1.00 C ATOM 279 O ASP A 20 -1.383 11.099 -1.842 1.00 1.00 O ATOM 280 CB ASP A 20 -3.505 9.390 -3.371 1.00 1.00 C ATOM 281 CG ASP A 20 -4.252 10.669 -3.710 1.00 1.00 C ATOM 282 OD1 ASP A 20 -3.657 11.759 -3.570 1.00 1.00 O ATOM 283 OD2 ASP A 20 -5.431 10.581 -4.114 1.00 1.00 O ATOM 0 H ASP A 20 -1.997 7.472 -3.929 1.00 1.00 H new ATOM 0 HA ASP A 20 -1.806 10.319 -4.285 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -3.870 8.581 -4.004 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -3.719 9.110 -2.340 1.00 1.00 H new ATOM 288 N ALA A 21 -0.726 8.963 -1.539 1.00 1.00 N ATOM 289 CA ALA A 21 -0.063 9.262 -0.268 1.00 1.00 C ATOM 290 C ALA A 21 1.307 9.937 -0.466 1.00 1.00 C ATOM 291 O ALA A 21 1.929 10.372 0.505 1.00 1.00 O ATOM 292 CB ALA A 21 0.094 7.990 0.551 1.00 1.00 C ATOM 0 H ALA A 21 -0.677 7.987 -1.831 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.696 9.968 0.269 1.00 1.00 H new ATOM 0 HB1 ALA A 21 0.588 8.223 1.494 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.889 7.563 0.752 1.00 1.00 H new ATOM 0 HB3 ALA A 21 0.695 7.271 -0.005 1.00 1.00 H new ATOM 298 N GLY A 22 1.776 10.030 -1.713 1.00 1.00 N ATOM 299 CA GLY A 22 3.045 10.697 -1.985 1.00 1.00 C ATOM 300 C GLY A 22 4.286 9.895 -1.609 1.00 1.00 C ATOM 301 O GLY A 22 5.371 10.463 -1.491 1.00 1.00 O ATOM 0 H GLY A 22 1.303 9.657 -2.536 1.00 1.00 H new ATOM 0 HA2 GLY A 22 3.093 10.936 -3.047 1.00 1.00 H new ATOM 0 HA3 GLY A 22 3.064 11.643 -1.445 1.00 1.00 H new ATOM 305 N MET A 23 4.144 8.586 -1.421 1.00 1.00 N ATOM 306 CA MET A 23 5.288 7.742 -1.062 1.00 1.00 C ATOM 307 C MET A 23 5.665 6.808 -2.216 1.00 1.00 C ATOM 308 O MET A 23 5.045 6.848 -3.278 1.00 1.00 O ATOM 309 CB MET A 23 4.981 6.931 0.202 1.00 1.00 C ATOM 310 CG MET A 23 4.202 7.700 1.268 1.00 1.00 C ATOM 311 SD MET A 23 4.870 9.347 1.605 1.00 1.00 S ATOM 312 CE MET A 23 6.579 8.964 1.978 1.00 1.00 C ATOM 0 H MET A 23 3.259 8.087 -1.509 1.00 1.00 H new ATOM 0 HA MET A 23 6.138 8.394 -0.861 1.00 1.00 H new ATOM 0 HB2 MET A 23 4.412 6.044 -0.078 1.00 1.00 H new ATOM 0 HB3 MET A 23 5.920 6.584 0.634 1.00 1.00 H new ATOM 0 HG2 MET A 23 3.164 7.796 0.949 1.00 1.00 H new ATOM 0 HG3 MET A 23 4.199 7.122 2.192 1.00 1.00 H new ATOM 0 HE1 MET A 23 7.148 9.889 2.066 1.00 1.00 H new ATOM 0 HE2 MET A 23 6.632 8.414 2.918 1.00 1.00 H new ATOM 0 HE3 MET A 23 6.999 8.355 1.177 1.00 1.00 H new ATOM 322 N ARG A 24 6.687 5.971 -2.009 1.00 1.00 N ATOM 323 CA ARG A 24 7.134 5.041 -3.051 1.00 1.00 C ATOM 324 C ARG A 24 7.181 3.592 -2.541 1.00 1.00 C ATOM 325 O ARG A 24 7.397 3.347 -1.354 1.00 1.00 O ATOM 326 CB ARG A 24 8.521 5.455 -3.569 1.00 1.00 C ATOM 327 CG ARG A 24 8.561 6.844 -4.199 1.00 1.00 C ATOM 328 CD ARG A 24 9.929 7.152 -4.800 1.00 1.00 C ATOM 329 NE ARG A 24 10.042 8.549 -5.229 1.00 1.00 N ATOM 330 CZ ARG A 24 11.151 9.091 -5.741 1.00 1.00 C ATOM 331 NH1 ARG A 24 12.254 8.365 -5.885 1.00 1.00 N ATOM 332 NH2 ARG A 24 11.155 10.365 -6.110 1.00 1.00 N ATOM 0 H ARG A 24 7.216 5.918 -1.138 1.00 1.00 H new ATOM 0 HA ARG A 24 6.410 5.086 -3.864 1.00 1.00 H new ATOM 0 HB2 ARG A 24 9.231 5.422 -2.742 1.00 1.00 H new ATOM 0 HB3 ARG A 24 8.855 4.724 -4.305 1.00 1.00 H new ATOM 0 HG2 ARG A 24 7.799 6.914 -4.975 1.00 1.00 H new ATOM 0 HG3 ARG A 24 8.318 7.593 -3.445 1.00 1.00 H new ATOM 0 HD2 ARG A 24 10.704 6.935 -4.065 1.00 1.00 H new ATOM 0 HD3 ARG A 24 10.106 6.496 -5.653 1.00 1.00 H new ATOM 0 HE ARG A 24 9.221 9.146 -5.130 1.00 1.00 H new ATOM 0 HH11 ARG A 24 12.260 7.385 -5.604 1.00 1.00 H new ATOM 0 HH12 ARG A 24 13.095 8.788 -6.277 1.00 1.00 H new ATOM 0 HH21 ARG A 24 10.312 10.930 -6.003 1.00 1.00 H new ATOM 0 HH22 ARG A 24 12.001 10.780 -6.501 1.00 1.00 H new ATOM 346 N PHE A 25 6.994 2.643 -3.466 1.00 1.00 N ATOM 347 CA PHE A 25 7.021 1.203 -3.161 1.00 1.00 C ATOM 348 C PHE A 25 6.016 0.803 -2.069 1.00 1.00 C ATOM 349 O PHE A 25 5.637 1.615 -1.222 1.00 1.00 O ATOM 350 CB PHE A 25 8.433 0.772 -2.749 1.00 1.00 C ATOM 351 CG PHE A 25 9.519 1.256 -3.675 1.00 1.00 C ATOM 352 CD1 PHE A 25 10.313 2.338 -3.324 1.00 1.00 C ATOM 353 CD2 PHE A 25 9.747 0.628 -4.890 1.00 1.00 C ATOM 354 CE1 PHE A 25 11.316 2.783 -4.168 1.00 1.00 C ATOM 355 CE2 PHE A 25 10.748 1.070 -5.738 1.00 1.00 C ATOM 356 CZ PHE A 25 11.533 2.149 -5.376 1.00 1.00 C ATOM 0 H PHE A 25 6.819 2.850 -4.449 1.00 1.00 H new ATOM 0 HA PHE A 25 6.726 0.686 -4.074 1.00 1.00 H new ATOM 0 HB2 PHE A 25 8.636 1.142 -1.744 1.00 1.00 H new ATOM 0 HB3 PHE A 25 8.470 -0.316 -2.701 1.00 1.00 H new ATOM 0 HD1 PHE A 25 10.147 2.839 -2.382 1.00 1.00 H new ATOM 0 HD2 PHE A 25 9.137 -0.215 -5.178 1.00 1.00 H new ATOM 0 HE1 PHE A 25 11.928 3.625 -3.882 1.00 1.00 H new ATOM 0 HE2 PHE A 25 10.916 0.572 -6.682 1.00 1.00 H new ATOM 0 HZ PHE A 25 12.314 2.495 -6.036 1.00 1.00 H new ATOM 366 N GLY A 26 5.598 -0.475 -2.100 1.00 1.00 N ATOM 367 CA GLY A 26 4.643 -0.990 -1.119 1.00 1.00 C ATOM 368 C GLY A 26 4.332 -2.475 -1.312 1.00 1.00 C ATOM 369 O GLY A 26 4.887 -3.118 -2.203 1.00 1.00 O ATOM 0 H GLY A 26 5.907 -1.160 -2.790 1.00 1.00 H new ATOM 0 HA2 GLY A 26 5.041 -0.835 -0.116 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.717 -0.419 -1.186 1.00 1.00 H new ATOM 373 N LYS A 27 3.437 -3.018 -0.473 1.00 1.00 N ATOM 374 CA LYS A 27 3.048 -4.434 -0.551 1.00 1.00 C ATOM 375 C LYS A 27 1.545 -4.610 -0.269 1.00 1.00 C ATOM 376 O LYS A 27 0.810 -3.628 -0.178 1.00 1.00 O ATOM 377 CB LYS A 27 3.868 -5.269 0.439 1.00 1.00 C ATOM 378 CG LYS A 27 5.376 -5.099 0.292 1.00 1.00 C ATOM 379 CD LYS A 27 5.903 -5.754 -0.982 1.00 1.00 C ATOM 380 CE LYS A 27 7.258 -6.406 -0.749 1.00 1.00 C ATOM 381 NZ LYS A 27 7.527 -7.498 -1.724 1.00 1.00 N ATOM 0 H LYS A 27 2.969 -2.497 0.268 1.00 1.00 H new ATOM 0 HA LYS A 27 3.251 -4.783 -1.564 1.00 1.00 H new ATOM 0 HB2 LYS A 27 3.579 -4.997 1.454 1.00 1.00 H new ATOM 0 HB3 LYS A 27 3.617 -6.321 0.307 1.00 1.00 H new ATOM 0 HG2 LYS A 27 5.622 -4.037 0.282 1.00 1.00 H new ATOM 0 HG3 LYS A 27 5.876 -5.534 1.157 1.00 1.00 H new ATOM 0 HD2 LYS A 27 5.192 -6.503 -1.329 1.00 1.00 H new ATOM 0 HD3 LYS A 27 5.988 -5.006 -1.770 1.00 1.00 H new ATOM 0 HE2 LYS A 27 8.041 -5.652 -0.825 1.00 1.00 H new ATOM 0 HE3 LYS A 27 7.298 -6.807 0.264 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 8.460 -7.915 -1.530 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 6.795 -8.231 -1.635 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 7.515 -7.112 -2.690 1.00 1.00 H new ATOM 395 N CYS A 28 1.092 -5.867 -0.127 1.00 1.00 N ATOM 396 CA CYS A 28 -0.329 -6.148 0.136 1.00 1.00 C ATOM 397 C CYS A 28 -0.521 -7.121 1.309 1.00 1.00 C ATOM 398 O CYS A 28 0.443 -7.659 1.855 1.00 1.00 O ATOM 399 CB CYS A 28 -1.000 -6.727 -1.114 1.00 1.00 C ATOM 400 SG CYS A 28 -2.104 -5.559 -1.976 1.00 1.00 S ATOM 0 H CYS A 28 1.682 -6.697 -0.189 1.00 1.00 H new ATOM 0 HA CYS A 28 -0.794 -5.199 0.403 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -0.227 -7.059 -1.807 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.573 -7.609 -0.830 1.00 1.00 H new ATOM 405 N MET A 29 -1.789 -7.337 1.681 1.00 1.00 N ATOM 406 CA MET A 29 -2.145 -8.250 2.771 1.00 1.00 C ATOM 407 C MET A 29 -3.616 -8.672 2.669 1.00 1.00 C ATOM 408 O MET A 29 -4.433 -7.947 2.100 1.00 1.00 O ATOM 409 CB MET A 29 -1.866 -7.613 4.134 1.00 1.00 C ATOM 410 CG MET A 29 -1.070 -8.516 5.064 1.00 1.00 C ATOM 411 SD MET A 29 -2.118 -9.443 6.204 1.00 1.00 S ATOM 412 CE MET A 29 -0.992 -10.734 6.733 1.00 1.00 C ATOM 0 H MET A 29 -2.590 -6.887 1.238 1.00 1.00 H new ATOM 0 HA MET A 29 -1.523 -9.140 2.677 1.00 1.00 H new ATOM 0 HB2 MET A 29 -1.320 -6.681 3.988 1.00 1.00 H new ATOM 0 HB3 MET A 29 -2.813 -7.357 4.609 1.00 1.00 H new ATOM 0 HG2 MET A 29 -0.481 -9.214 4.469 1.00 1.00 H new ATOM 0 HG3 MET A 29 -0.366 -7.911 5.635 1.00 1.00 H new ATOM 0 HE1 MET A 29 -1.497 -11.389 7.442 1.00 1.00 H new ATOM 0 HE2 MET A 29 -0.671 -11.314 5.868 1.00 1.00 H new ATOM 0 HE3 MET A 29 -0.122 -10.284 7.211 1.00 1.00 H new ATOM 422 N ASN A 30 -3.939 -9.845 3.238 1.00 1.00 N ATOM 423 CA ASN A 30 -5.306 -10.410 3.221 1.00 1.00 C ATOM 424 C ASN A 30 -6.405 -9.338 3.293 1.00 1.00 C ATOM 425 O ASN A 30 -7.465 -9.488 2.684 1.00 1.00 O ATOM 426 CB ASN A 30 -5.474 -11.398 4.383 1.00 1.00 C ATOM 427 CG ASN A 30 -6.700 -12.281 4.233 1.00 1.00 C ATOM 428 OD1 ASN A 30 -7.417 -12.206 3.235 1.00 1.00 O ATOM 429 ND2 ASN A 30 -6.944 -13.126 5.229 1.00 1.00 N ATOM 0 H ASN A 30 -3.261 -10.432 3.724 1.00 1.00 H new ATOM 0 HA ASN A 30 -5.423 -10.921 2.265 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -4.586 -12.026 4.451 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -5.544 -10.843 5.318 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -7.753 -13.746 5.185 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -6.323 -13.154 6.037 1.00 1.00 H new ATOM 436 N ARG A 31 -6.150 -8.266 4.040 1.00 1.00 N ATOM 437 CA ARG A 31 -7.121 -7.175 4.169 1.00 1.00 C ATOM 438 C ARG A 31 -6.439 -5.837 4.520 1.00 1.00 C ATOM 439 O ARG A 31 -7.102 -4.908 4.979 1.00 1.00 O ATOM 440 CB ARG A 31 -8.162 -7.516 5.247 1.00 1.00 C ATOM 441 CG ARG A 31 -9.000 -8.756 4.947 1.00 1.00 C ATOM 442 CD ARG A 31 -10.069 -8.978 6.013 1.00 1.00 C ATOM 443 NE ARG A 31 -10.781 -10.247 5.840 1.00 1.00 N ATOM 444 CZ ARG A 31 -11.644 -10.751 6.728 1.00 1.00 C ATOM 445 NH1 ARG A 31 -11.903 -10.105 7.860 1.00 1.00 N ATOM 446 NH2 ARG A 31 -12.249 -11.907 6.484 1.00 1.00 N ATOM 0 H ARG A 31 -5.286 -8.127 4.563 1.00 1.00 H new ATOM 0 HA ARG A 31 -7.612 -7.062 3.202 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -7.648 -7.661 6.197 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -8.829 -6.663 5.372 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -9.474 -8.649 3.971 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -8.352 -9.630 4.892 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -9.604 -8.958 6.999 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -10.785 -8.157 5.981 1.00 1.00 H new ATOM 0 HE ARG A 31 -10.607 -10.780 4.988 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -11.442 -9.217 8.057 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -12.563 -10.497 8.532 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -12.056 -12.411 5.619 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -12.907 -12.291 7.162 1.00 1.00 H new ATOM 460 N LYS A 32 -5.121 -5.742 4.307 1.00 1.00 N ATOM 461 CA LYS A 32 -4.365 -4.524 4.637 1.00 1.00 C ATOM 462 C LYS A 32 -3.346 -4.149 3.546 1.00 1.00 C ATOM 463 O LYS A 32 -2.979 -4.980 2.715 1.00 1.00 O ATOM 464 CB LYS A 32 -3.667 -4.685 5.992 1.00 1.00 C ATOM 465 CG LYS A 32 -4.436 -4.058 7.150 1.00 1.00 C ATOM 466 CD LYS A 32 -4.628 -5.037 8.302 1.00 1.00 C ATOM 467 CE LYS A 32 -5.914 -4.755 9.065 1.00 1.00 C ATOM 468 NZ LYS A 32 -6.020 -5.577 10.303 1.00 1.00 N ATOM 0 H LYS A 32 -4.555 -6.491 3.908 1.00 1.00 H new ATOM 0 HA LYS A 32 -5.082 -3.705 4.695 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -3.523 -5.746 6.194 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -2.676 -4.234 5.937 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -3.901 -3.178 7.507 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -5.409 -3.717 6.797 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -4.649 -6.056 7.915 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -3.779 -4.972 8.982 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -5.956 -3.698 9.327 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -6.770 -4.958 8.421 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -6.910 -5.354 10.793 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -6.006 -6.586 10.052 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -5.218 -5.365 10.930 1.00 1.00 H new ATOM 482 N CYS A 33 -2.894 -2.885 3.565 1.00 1.00 N ATOM 483 CA CYS A 33 -1.913 -2.379 2.589 1.00 1.00 C ATOM 484 C CYS A 33 -0.553 -2.127 3.258 1.00 1.00 C ATOM 485 O CYS A 33 -0.468 -1.980 4.477 1.00 1.00 O ATOM 486 CB CYS A 33 -2.371 -1.038 2.018 1.00 1.00 C ATOM 487 SG CYS A 33 -2.702 -1.055 0.216 1.00 1.00 S ATOM 0 H CYS A 33 -3.194 -2.191 4.249 1.00 1.00 H new ATOM 0 HA CYS A 33 -1.826 -3.133 1.807 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -3.276 -0.726 2.538 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -1.608 -0.288 2.228 1.00 1.00 H new ATOM 492 N HIS A 34 0.502 -2.076 2.448 1.00 1.00 N ATOM 493 CA HIS A 34 1.847 -1.784 2.943 1.00 1.00 C ATOM 494 C HIS A 34 2.461 -0.614 2.158 1.00 1.00 C ATOM 495 O HIS A 34 2.553 -0.675 0.931 1.00 1.00 O ATOM 496 CB HIS A 34 2.740 -3.029 2.841 1.00 1.00 C ATOM 497 CG HIS A 34 3.404 -3.399 4.134 1.00 1.00 C ATOM 498 ND1 HIS A 34 4.639 -2.913 4.513 1.00 1.00 N ATOM 499 CD2 HIS A 34 3.001 -4.214 5.140 1.00 1.00 C ATOM 500 CE1 HIS A 34 4.968 -3.412 5.692 1.00 1.00 C ATOM 501 NE2 HIS A 34 3.991 -4.204 6.094 1.00 1.00 N ATOM 0 H HIS A 34 0.452 -2.234 1.442 1.00 1.00 H new ATOM 0 HA HIS A 34 1.777 -1.498 3.993 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.138 -3.870 2.497 1.00 1.00 H new ATOM 0 HB3 HIS A 34 3.506 -2.855 2.085 1.00 1.00 H new ATOM 0 HD2 HIS A 34 2.075 -4.768 5.184 1.00 1.00 H new ATOM 0 HE1 HIS A 34 5.880 -3.207 6.234 1.00 1.00 H new ATOM 0 HE2 HIS A 34 3.974 -4.725 6.971 1.00 1.00 H new ATOM 509 N CYS A 35 2.884 0.450 2.854 1.00 1.00 N ATOM 510 CA CYS A 35 3.501 1.601 2.177 1.00 1.00 C ATOM 511 C CYS A 35 4.940 1.807 2.674 1.00 1.00 C ATOM 512 O CYS A 35 5.237 1.532 3.836 1.00 1.00 O ATOM 513 CB CYS A 35 2.698 2.890 2.397 1.00 1.00 C ATOM 514 SG CYS A 35 1.378 3.165 1.161 1.00 1.00 S ATOM 0 H CYS A 35 2.813 0.539 3.868 1.00 1.00 H new ATOM 0 HA CYS A 35 3.508 1.380 1.110 1.00 1.00 H new ATOM 0 HB2 CYS A 35 2.251 2.862 3.391 1.00 1.00 H new ATOM 0 HB3 CYS A 35 3.381 3.739 2.379 1.00 1.00 H new ATOM 519 N THR A 36 5.836 2.287 1.803 1.00 1.00 N ATOM 520 CA THR A 36 7.234 2.511 2.199 1.00 1.00 C ATOM 521 C THR A 36 7.677 3.971 1.996 1.00 1.00 C ATOM 522 O THR A 36 7.895 4.400 0.863 1.00 1.00 O ATOM 523 CB THR A 36 8.189 1.597 1.406 1.00 1.00 C ATOM 524 OG1 THR A 36 7.675 0.261 1.371 1.00 1.00 O ATOM 525 CG2 THR A 36 9.579 1.593 2.027 1.00 1.00 C ATOM 0 H THR A 36 5.624 2.525 0.834 1.00 1.00 H new ATOM 0 HA THR A 36 7.285 2.275 3.262 1.00 1.00 H new ATOM 0 HB THR A 36 8.263 1.985 0.390 1.00 1.00 H new ATOM 0 HG1 THR A 36 8.287 -0.312 0.864 1.00 1.00 H new ATOM 0 HG21 THR A 36 10.234 0.941 1.449 1.00 1.00 H new ATOM 0 HG22 THR A 36 9.982 2.606 2.024 1.00 1.00 H new ATOM 0 HG23 THR A 36 9.518 1.229 3.053 1.00 1.00 H new ATOM 533 N PRO A 37 7.819 4.758 3.091 1.00 1.00 N ATOM 534 CA PRO A 37 8.251 6.162 3.009 1.00 1.00 C ATOM 535 C PRO A 37 9.760 6.308 2.748 1.00 1.00 C ATOM 536 O PRO A 37 10.539 5.417 3.087 1.00 1.00 O ATOM 537 CB PRO A 37 7.892 6.718 4.384 1.00 1.00 C ATOM 538 CG PRO A 37 8.009 5.548 5.296 1.00 1.00 C ATOM 539 CD PRO A 37 7.573 4.351 4.493 1.00 1.00 C ATOM 0 HA PRO A 37 7.774 6.684 2.179 1.00 1.00 H new ATOM 0 HB2 PRO A 37 8.569 7.520 4.678 1.00 1.00 H new ATOM 0 HB3 PRO A 37 6.884 7.132 4.395 1.00 1.00 H new ATOM 0 HG2 PRO A 37 9.033 5.429 5.649 1.00 1.00 H new ATOM 0 HG3 PRO A 37 7.381 5.676 6.178 1.00 1.00 H new ATOM 0 HD2 PRO A 37 8.145 3.462 4.758 1.00 1.00 H new ATOM 0 HD3 PRO A 37 6.522 4.116 4.663 1.00 1.00 H new ATOM 547 N LYS A 38 10.171 7.434 2.150 1.00 1.00 N ATOM 548 CA LYS A 38 11.595 7.681 1.859 1.00 1.00 C ATOM 549 C LYS A 38 12.464 7.478 3.102 1.00 1.00 C ATOM 550 O LYS A 38 13.207 6.474 3.147 1.00 1.00 O ATOM 551 CB LYS A 38 11.807 9.103 1.321 1.00 1.00 C ATOM 552 CG LYS A 38 13.256 9.402 0.951 1.00 1.00 C ATOM 553 CD LYS A 38 13.502 10.894 0.765 1.00 1.00 C ATOM 554 CE LYS A 38 14.966 11.184 0.468 1.00 1.00 C ATOM 555 NZ LYS A 38 15.416 12.467 1.075 1.00 1.00 N ATOM 556 OXT LYS A 38 12.399 8.328 4.016 1.00 1.00 O ATOM 0 H LYS A 38 9.545 8.185 1.859 1.00 1.00 H new ATOM 0 HA LYS A 38 11.895 6.959 1.099 1.00 1.00 H new ATOM 0 HB2 LYS A 38 11.178 9.248 0.443 1.00 1.00 H new ATOM 0 HB3 LYS A 38 11.476 9.820 2.072 1.00 1.00 H new ATOM 0 HG2 LYS A 38 13.915 9.020 1.731 1.00 1.00 H new ATOM 0 HG3 LYS A 38 13.511 8.875 0.032 1.00 1.00 H new ATOM 0 HD2 LYS A 38 12.883 11.267 -0.051 1.00 1.00 H new ATOM 0 HD3 LYS A 38 13.199 11.429 1.665 1.00 1.00 H new ATOM 0 HE2 LYS A 38 15.581 10.368 0.848 1.00 1.00 H new ATOM 0 HE3 LYS A 38 15.116 11.221 -0.611 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 16.419 12.626 0.848 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 14.847 13.250 0.694 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 15.297 12.423 2.107 1.00 1.00 H new TER 570 LYS A 38