USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 HIS : no HD1:sc= 0 X(o=-0.031,f=-0.18) USER MOD Set 1.2: A 61 ASN : amide:sc= -0.0314 X(o=-0.031,f=-0.18) USER MOD Single : A 1 LEU N :NH3+ 145:sc= -2.09 (180deg=-4.56!) USER MOD Single : A 5 ASN : amide:sc= -0.401 K(o=-0.4,f=-1.5) USER MOD Single : A 6 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.051) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0124 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 49:sc= 0.508 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.114 F(o=-2.5!,f=-0.11) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 31:sc= 1.13 USER MOD Single : A 50 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.137) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00975 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.242 USER MOD Single : A 58 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0232) USER MOD Single : A 60 ASN : amide:sc= -0.35 K(o=-0.35,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -8.191 -10.656 6.023 1.00 0.00 N ATOM 2 CA LEU A 1 -7.244 -11.148 7.034 1.00 0.00 C ATOM 3 C LEU A 1 -6.852 -9.842 7.683 1.00 0.00 C ATOM 4 O LEU A 1 -7.651 -8.930 7.564 1.00 0.00 O ATOM 5 CB LEU A 1 -6.037 -11.930 6.349 1.00 0.00 C ATOM 6 CG LEU A 1 -5.211 -11.249 5.183 1.00 0.00 C ATOM 7 CD1 LEU A 1 -4.295 -12.346 4.522 1.00 0.00 C ATOM 8 CD2 LEU A 1 -6.031 -10.549 4.052 1.00 0.00 C ATOM 0 H1 LEU A 1 -8.114 -11.236 5.163 1.00 0.00 H new ATOM 0 H2 LEU A 1 -9.160 -10.717 6.396 1.00 0.00 H new ATOM 0 H3 LEU A 1 -7.970 -9.666 5.793 1.00 0.00 H new ATOM 0 HA LEU A 1 -7.629 -11.880 7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -5.331 -12.190 7.137 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -6.437 -12.866 5.959 1.00 0.00 H new ATOM 0 HG LEU A 1 -4.659 -10.443 5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -3.716 -11.898 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -3.617 -12.754 5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -4.917 -13.146 4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -5.348 -10.124 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -6.678 -11.280 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -6.641 -9.755 4.483 1.00 0.00 H new ATOM 22 N GLU A 2 -5.721 -9.737 8.321 1.00 0.00 N ATOM 23 CA GLU A 2 -5.362 -8.437 8.971 1.00 0.00 C ATOM 24 C GLU A 2 -4.111 -7.895 8.312 1.00 0.00 C ATOM 25 O GLU A 2 -3.310 -8.730 7.935 1.00 0.00 O ATOM 26 CB GLU A 2 -4.998 -8.608 10.462 1.00 0.00 C ATOM 27 CG GLU A 2 -5.981 -9.527 11.237 1.00 0.00 C ATOM 28 CD GLU A 2 -5.620 -9.506 12.739 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.653 -10.157 13.103 1.00 0.00 O ATOM 30 OE2 GLU A 2 -6.346 -8.824 13.444 1.00 0.00 O ATOM 0 H GLU A 2 -5.033 -10.483 8.423 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.228 -7.783 8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.992 -9.020 10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.978 -7.628 10.938 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.006 -9.187 11.093 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.926 -10.545 10.852 1.00 0.00 H new ATOM 37 N CYS A 3 -3.976 -6.591 8.205 1.00 0.00 N ATOM 38 CA CYS A 3 -2.749 -6.017 7.574 1.00 0.00 C ATOM 39 C CYS A 3 -2.400 -4.678 8.216 1.00 0.00 C ATOM 40 O CYS A 3 -3.176 -4.149 8.994 1.00 0.00 O ATOM 41 CB CYS A 3 -2.908 -5.807 6.039 1.00 0.00 C ATOM 42 SG CYS A 3 -2.278 -7.224 5.094 1.00 0.00 S ATOM 0 H CYS A 3 -4.660 -5.906 8.526 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.950 -6.740 7.738 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.960 -5.650 5.801 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.376 -4.905 5.739 1.00 0.00 H new ATOM 47 N HIS A 4 -1.248 -4.177 7.840 1.00 0.00 N ATOM 48 CA HIS A 4 -0.706 -2.879 8.370 1.00 0.00 C ATOM 49 C HIS A 4 -1.022 -1.738 7.430 1.00 0.00 C ATOM 50 O HIS A 4 -1.132 -1.984 6.248 1.00 0.00 O ATOM 51 CB HIS A 4 0.819 -2.895 8.459 1.00 0.00 C ATOM 52 CG HIS A 4 1.384 -4.004 9.369 1.00 0.00 C ATOM 53 ND1 HIS A 4 1.618 -3.879 10.639 1.00 0.00 N ATOM 54 CD2 HIS A 4 1.759 -5.320 9.085 1.00 0.00 C ATOM 55 CE1 HIS A 4 2.090 -4.990 11.107 1.00 0.00 C ATOM 56 NE2 HIS A 4 2.195 -5.910 10.181 1.00 0.00 N ATOM 0 H HIS A 4 -0.636 -4.631 7.161 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.165 -2.751 9.350 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.230 -3.018 7.457 1.00 0.00 H new ATOM 0 HB3 HIS A 4 1.161 -1.928 8.827 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.700 -5.785 8.112 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.365 -5.140 12.140 1.00 0.00 H new ATOM 0 HE2 HIS A 4 2.536 -6.866 10.284 1.00 0.00 H new ATOM 64 N ASN A 5 -1.149 -0.534 7.926 1.00 0.00 N ATOM 65 CA ASN A 5 -1.457 0.607 7.010 1.00 0.00 C ATOM 66 C ASN A 5 -0.701 1.793 7.562 1.00 0.00 C ATOM 67 O ASN A 5 -1.267 2.793 7.949 1.00 0.00 O ATOM 68 CB ASN A 5 -2.973 0.966 6.970 1.00 0.00 C ATOM 69 CG ASN A 5 -3.590 1.300 8.343 1.00 0.00 C ATOM 70 OD1 ASN A 5 -3.507 0.519 9.273 1.00 0.00 O ATOM 71 ND2 ASN A 5 -4.227 2.427 8.528 1.00 0.00 N ATOM 0 H ASN A 5 -1.054 -0.292 8.912 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.172 0.338 5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.114 1.819 6.306 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.520 0.130 6.534 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.641 2.636 9.437 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.310 3.097 7.764 1.00 0.00 H new ATOM 78 N GLN A 6 0.588 1.616 7.567 1.00 0.00 N ATOM 79 CA GLN A 6 1.567 2.636 8.070 1.00 0.00 C ATOM 80 C GLN A 6 1.883 3.591 6.901 1.00 0.00 C ATOM 81 O GLN A 6 2.272 3.111 5.856 1.00 0.00 O ATOM 82 CB GLN A 6 2.796 1.793 8.572 1.00 0.00 C ATOM 83 CG GLN A 6 4.023 2.543 9.012 1.00 0.00 C ATOM 84 CD GLN A 6 4.739 1.514 9.896 1.00 0.00 C ATOM 85 OE1 GLN A 6 5.032 0.413 9.470 1.00 0.00 O ATOM 86 NE2 GLN A 6 5.028 1.816 11.131 1.00 0.00 N ATOM 0 H GLN A 6 1.031 0.763 7.226 1.00 0.00 H new ATOM 0 HA GLN A 6 1.214 3.266 8.887 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.462 1.177 9.407 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.087 1.114 7.771 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.638 2.849 8.165 1.00 0.00 H new ATOM 0 HG3 GLN A 6 3.770 3.447 9.565 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.788 2.736 11.501 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.494 1.132 11.727 1.00 0.00 H new ATOM 95 N GLN A 7 1.730 4.883 7.099 1.00 0.00 N ATOM 96 CA GLN A 7 2.003 5.884 6.009 1.00 0.00 C ATOM 97 C GLN A 7 3.399 6.479 6.180 1.00 0.00 C ATOM 98 O GLN A 7 3.772 6.823 7.282 1.00 0.00 O ATOM 99 CB GLN A 7 1.010 7.084 6.059 1.00 0.00 C ATOM 100 CG GLN A 7 -0.423 6.683 5.725 1.00 0.00 C ATOM 101 CD GLN A 7 -1.328 7.780 6.310 1.00 0.00 C ATOM 102 OE1 GLN A 7 -2.093 7.511 7.209 1.00 0.00 O ATOM 103 NE2 GLN A 7 -1.287 9.008 5.862 1.00 0.00 N ATOM 0 H GLN A 7 1.423 5.293 7.981 1.00 0.00 H new ATOM 0 HA GLN A 7 1.899 5.347 5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.035 7.528 7.054 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.340 7.851 5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -0.562 6.599 4.647 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.664 5.711 6.154 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.649 9.254 5.105 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.893 9.720 6.269 1.00 0.00 H new ATOM 112 N SER A 8 4.080 6.602 5.079 1.00 0.00 N ATOM 113 CA SER A 8 5.451 7.144 4.993 1.00 0.00 C ATOM 114 C SER A 8 6.322 7.297 6.249 1.00 0.00 C ATOM 115 O SER A 8 7.301 6.588 6.341 1.00 0.00 O ATOM 116 CB SER A 8 5.333 8.487 4.294 1.00 0.00 C ATOM 117 OG SER A 8 4.395 8.197 3.261 1.00 0.00 O ATOM 0 H SER A 8 3.705 6.325 4.172 1.00 0.00 H new ATOM 0 HA SER A 8 6.005 6.365 4.469 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.974 9.267 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.289 8.825 3.895 1.00 0.00 H new ATOM 0 HG SER A 8 4.232 9.005 2.731 1.00 0.00 H new ATOM 123 N SER A 9 6.013 8.174 7.163 1.00 0.00 N ATOM 124 CA SER A 9 6.901 8.285 8.338 1.00 0.00 C ATOM 125 C SER A 9 6.049 8.423 9.620 1.00 0.00 C ATOM 126 O SER A 9 6.602 8.830 10.621 1.00 0.00 O ATOM 127 CB SER A 9 7.804 9.535 8.033 1.00 0.00 C ATOM 128 OG SER A 9 9.031 9.468 8.745 1.00 0.00 O ATOM 0 H SER A 9 5.207 8.799 7.145 1.00 0.00 H new ATOM 0 HA SER A 9 7.526 7.409 8.511 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.004 9.590 6.963 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.272 10.447 8.305 1.00 0.00 H new ATOM 0 HG SER A 9 9.574 10.257 8.536 1.00 0.00 H new ATOM 134 N GLN A 10 4.784 8.099 9.626 1.00 0.00 N ATOM 135 CA GLN A 10 4.014 8.280 10.903 1.00 0.00 C ATOM 136 C GLN A 10 4.102 6.962 11.666 1.00 0.00 C ATOM 137 O GLN A 10 4.456 5.977 11.055 1.00 0.00 O ATOM 138 CB GLN A 10 2.509 8.605 10.579 1.00 0.00 C ATOM 139 CG GLN A 10 2.295 10.031 10.053 1.00 0.00 C ATOM 140 CD GLN A 10 0.850 10.055 9.521 1.00 0.00 C ATOM 141 OE1 GLN A 10 -0.080 9.793 10.253 1.00 0.00 O ATOM 142 NE2 GLN A 10 0.604 10.350 8.271 1.00 0.00 N ATOM 0 H GLN A 10 4.259 7.729 8.834 1.00 0.00 H new ATOM 0 HA GLN A 10 4.422 9.102 11.491 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.142 7.894 9.839 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.912 8.464 11.480 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.435 10.767 10.844 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.008 10.271 9.265 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.373 10.573 7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.357 10.357 7.928 1.00 0.00 H new ATOM 151 N PRO A 11 3.808 6.956 12.951 1.00 0.00 N ATOM 152 CA PRO A 11 3.864 5.707 13.759 1.00 0.00 C ATOM 153 C PRO A 11 2.847 4.673 13.227 1.00 0.00 C ATOM 154 O PRO A 11 1.972 5.045 12.483 1.00 0.00 O ATOM 155 CB PRO A 11 3.579 6.143 15.212 1.00 0.00 C ATOM 156 CG PRO A 11 3.036 7.613 15.148 1.00 0.00 C ATOM 157 CD PRO A 11 3.416 8.160 13.740 1.00 0.00 C ATOM 0 HA PRO A 11 4.832 5.210 13.699 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.848 5.481 15.678 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.485 6.092 15.815 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.956 7.635 15.295 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.477 8.225 15.935 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.576 8.678 13.278 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.236 8.875 13.803 1.00 0.00 H new ATOM 165 N PRO A 12 2.973 3.424 13.615 1.00 0.00 N ATOM 166 CA PRO A 12 2.055 2.329 13.152 1.00 0.00 C ATOM 167 C PRO A 12 0.553 2.222 13.533 1.00 0.00 C ATOM 168 O PRO A 12 0.178 2.601 14.627 1.00 0.00 O ATOM 169 CB PRO A 12 2.778 1.039 13.565 1.00 0.00 C ATOM 170 CG PRO A 12 3.730 1.440 14.755 1.00 0.00 C ATOM 171 CD PRO A 12 4.041 2.951 14.541 1.00 0.00 C ATOM 0 HA PRO A 12 1.907 2.560 12.097 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.066 0.274 13.875 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.347 0.626 12.732 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.249 1.270 15.718 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.643 0.845 14.746 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.020 3.498 15.484 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.032 3.095 14.111 1.00 0.00 H new ATOM 179 N THR A 13 -0.210 1.689 12.599 1.00 0.00 N ATOM 180 CA THR A 13 -1.669 1.472 12.736 1.00 0.00 C ATOM 181 C THR A 13 -2.019 0.107 12.011 1.00 0.00 C ATOM 182 O THR A 13 -1.247 -0.275 11.135 1.00 0.00 O ATOM 183 CB THR A 13 -2.234 2.701 12.083 1.00 0.00 C ATOM 184 OG1 THR A 13 -1.093 3.084 11.302 1.00 0.00 O ATOM 185 CG2 THR A 13 -2.494 3.852 13.099 1.00 0.00 C ATOM 0 H THR A 13 0.158 1.382 11.698 1.00 0.00 H new ATOM 0 HA THR A 13 -2.067 1.366 13.745 1.00 0.00 H new ATOM 0 HB THR A 13 -3.180 2.524 11.572 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.301 3.897 10.795 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.902 4.716 12.574 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.205 3.517 13.854 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.557 4.130 13.581 1.00 0.00 H new ATOM 193 N THR A 14 -3.100 -0.562 12.356 1.00 0.00 N ATOM 194 CA THR A 14 -3.466 -1.839 11.693 1.00 0.00 C ATOM 195 C THR A 14 -4.992 -1.804 11.337 1.00 0.00 C ATOM 196 O THR A 14 -5.690 -1.010 11.945 1.00 0.00 O ATOM 197 CB THR A 14 -3.096 -2.878 12.716 1.00 0.00 C ATOM 198 OG1 THR A 14 -2.992 -2.060 13.889 1.00 0.00 O ATOM 199 CG2 THR A 14 -1.680 -3.459 12.471 1.00 0.00 C ATOM 0 H THR A 14 -3.749 -0.262 13.084 1.00 0.00 H new ATOM 0 HA THR A 14 -2.961 -2.040 10.748 1.00 0.00 H new ATOM 0 HB THR A 14 -3.795 -3.715 12.735 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.751 -2.619 14.657 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.456 -4.205 13.234 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.643 -3.924 11.486 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.944 -2.657 12.521 1.00 0.00 H new ATOM 207 N LYS A 15 -5.461 -2.625 10.416 1.00 0.00 N ATOM 208 CA LYS A 15 -6.912 -2.653 10.025 1.00 0.00 C ATOM 209 C LYS A 15 -7.286 -4.138 9.808 1.00 0.00 C ATOM 210 O LYS A 15 -6.379 -4.925 9.580 1.00 0.00 O ATOM 211 CB LYS A 15 -7.116 -1.858 8.707 1.00 0.00 C ATOM 212 CG LYS A 15 -7.478 -0.373 8.981 1.00 0.00 C ATOM 213 CD LYS A 15 -9.021 -0.219 8.958 1.00 0.00 C ATOM 214 CE LYS A 15 -9.404 1.248 9.190 1.00 0.00 C ATOM 215 NZ LYS A 15 -10.873 1.426 8.989 1.00 0.00 N ATOM 0 H LYS A 15 -4.881 -3.293 9.908 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.537 -2.200 10.794 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.206 -1.906 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.908 -2.323 8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.083 -0.061 9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.024 0.271 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.415 -0.559 8.000 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.469 -0.847 9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.127 1.550 10.200 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.853 1.890 8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.127 2.422 9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.126 1.155 8.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.391 0.825 9.662 1.00 0.00 H new ATOM 229 N THR A 16 -8.551 -4.490 9.870 1.00 0.00 N ATOM 230 CA THR A 16 -8.972 -5.899 9.670 1.00 0.00 C ATOM 231 C THR A 16 -9.998 -5.950 8.497 1.00 0.00 C ATOM 232 O THR A 16 -10.968 -5.220 8.599 1.00 0.00 O ATOM 233 CB THR A 16 -9.556 -6.295 11.016 1.00 0.00 C ATOM 234 OG1 THR A 16 -10.315 -5.129 11.341 1.00 0.00 O ATOM 235 CG2 THR A 16 -8.480 -6.357 12.135 1.00 0.00 C ATOM 0 H THR A 16 -9.316 -3.841 10.055 1.00 0.00 H new ATOM 0 HA THR A 16 -8.176 -6.588 9.388 1.00 0.00 H new ATOM 0 HB THR A 16 -10.063 -7.258 10.958 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.864 -4.871 10.571 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.950 -6.644 13.076 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.721 -7.092 11.869 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.014 -5.378 12.246 1.00 0.00 H new ATOM 243 N CYS A 17 -9.808 -6.756 7.478 1.00 0.00 N ATOM 244 CA CYS A 17 -10.802 -6.787 6.358 1.00 0.00 C ATOM 245 C CYS A 17 -11.258 -8.227 5.977 1.00 0.00 C ATOM 246 O CYS A 17 -11.057 -8.627 4.851 1.00 0.00 O ATOM 247 CB CYS A 17 -10.149 -6.089 5.119 1.00 0.00 C ATOM 248 SG CYS A 17 -9.536 -4.383 5.308 1.00 0.00 S ATOM 0 H CYS A 17 -9.014 -7.388 7.374 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.701 -6.265 6.687 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.313 -6.708 4.792 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.882 -6.091 4.312 1.00 0.00 H new ATOM 253 N PRO A 18 -11.853 -9.003 6.851 1.00 0.00 N ATOM 254 CA PRO A 18 -12.287 -10.381 6.498 1.00 0.00 C ATOM 255 C PRO A 18 -13.363 -10.435 5.426 1.00 0.00 C ATOM 256 O PRO A 18 -14.532 -10.288 5.723 1.00 0.00 O ATOM 257 CB PRO A 18 -12.772 -11.009 7.799 1.00 0.00 C ATOM 258 CG PRO A 18 -13.207 -9.780 8.655 1.00 0.00 C ATOM 259 CD PRO A 18 -12.192 -8.654 8.256 1.00 0.00 C ATOM 0 HA PRO A 18 -11.451 -10.926 6.059 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.603 -11.694 7.629 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.983 -11.580 8.288 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.234 -9.486 8.437 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.158 -10.000 9.721 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.638 -7.662 8.331 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.311 -8.657 8.898 1.00 0.00 H new ATOM 267 N GLY A 19 -12.963 -10.651 4.221 1.00 0.00 N ATOM 268 CA GLY A 19 -13.952 -10.711 3.157 1.00 0.00 C ATOM 269 C GLY A 19 -13.020 -10.625 1.979 1.00 0.00 C ATOM 270 O GLY A 19 -13.221 -11.270 0.970 1.00 0.00 O ATOM 0 H GLY A 19 -11.994 -10.787 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.532 -11.634 3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.664 -9.886 3.194 1.00 0.00 H new ATOM 274 N GLU A 20 -11.993 -9.835 2.127 1.00 0.00 N ATOM 275 CA GLU A 20 -11.047 -9.716 0.994 1.00 0.00 C ATOM 276 C GLU A 20 -9.920 -10.646 1.377 1.00 0.00 C ATOM 277 O GLU A 20 -9.646 -10.788 2.553 1.00 0.00 O ATOM 278 CB GLU A 20 -10.535 -8.268 0.888 1.00 0.00 C ATOM 279 CG GLU A 20 -11.684 -7.355 0.386 1.00 0.00 C ATOM 280 CD GLU A 20 -11.422 -5.888 0.765 1.00 0.00 C ATOM 281 OE1 GLU A 20 -10.337 -5.407 0.480 1.00 0.00 O ATOM 282 OE2 GLU A 20 -12.352 -5.330 1.326 1.00 0.00 O ATOM 0 H GLU A 20 -11.775 -9.284 2.957 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.493 -9.964 0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.179 -7.924 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.689 -8.218 0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.779 -7.444 -0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.630 -7.683 0.817 1.00 0.00 H new ATOM 289 N THR A 21 -9.317 -11.213 0.380 1.00 0.00 N ATOM 290 CA THR A 21 -8.204 -12.154 0.566 1.00 0.00 C ATOM 291 C THR A 21 -6.825 -11.499 0.299 1.00 0.00 C ATOM 292 O THR A 21 -5.819 -12.078 0.659 1.00 0.00 O ATOM 293 CB THR A 21 -8.497 -13.283 -0.431 1.00 0.00 C ATOM 294 OG1 THR A 21 -9.927 -13.330 -0.428 1.00 0.00 O ATOM 295 CG2 THR A 21 -7.971 -14.684 -0.015 1.00 0.00 C ATOM 0 H THR A 21 -9.566 -11.051 -0.596 1.00 0.00 H new ATOM 0 HA THR A 21 -8.140 -12.509 1.595 1.00 0.00 H new ATOM 0 HB THR A 21 -8.010 -13.077 -1.384 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.233 -14.029 -1.043 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.228 -15.412 -0.784 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.888 -14.646 0.102 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.428 -14.978 0.930 1.00 0.00 H new ATOM 303 N ASN A 22 -6.765 -10.339 -0.299 1.00 0.00 N ATOM 304 CA ASN A 22 -5.404 -9.752 -0.575 1.00 0.00 C ATOM 305 C ASN A 22 -5.103 -8.424 0.076 1.00 0.00 C ATOM 306 O ASN A 22 -6.042 -7.744 0.448 1.00 0.00 O ATOM 307 CB ASN A 22 -5.233 -9.517 -2.060 1.00 0.00 C ATOM 308 CG ASN A 22 -6.016 -10.599 -2.827 1.00 0.00 C ATOM 309 OD1 ASN A 22 -5.448 -11.741 -3.092 1.00 0.00 O flip ATOM 310 ND2 ASN A 22 -7.168 -10.427 -3.187 1.00 0.00 N flip ATOM 0 H ASN A 22 -7.564 -9.782 -0.603 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.726 -10.494 -0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.597 -8.525 -2.330 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.177 -9.553 -2.329 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.636 -9.542 -2.992 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.663 -11.168 -3.683 1.00 0.00 H new ATOM 317 N CYS A 23 -3.825 -8.100 0.168 1.00 0.00 N ATOM 318 CA CYS A 23 -3.368 -6.797 0.785 1.00 0.00 C ATOM 319 C CYS A 23 -2.456 -6.109 -0.271 1.00 0.00 C ATOM 320 O CYS A 23 -1.918 -6.850 -1.080 1.00 0.00 O ATOM 321 CB CYS A 23 -2.572 -7.079 2.078 1.00 0.00 C ATOM 322 SG CYS A 23 -3.492 -7.652 3.536 1.00 0.00 S ATOM 0 H CYS A 23 -3.065 -8.694 -0.164 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.213 -6.161 1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.813 -7.826 1.847 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.046 -6.165 2.353 1.00 0.00 H new ATOM 327 N TYR A 24 -2.283 -4.785 -0.238 1.00 0.00 N ATOM 328 CA TYR A 24 -1.416 -4.059 -1.267 1.00 0.00 C ATOM 329 C TYR A 24 -0.286 -3.090 -0.833 1.00 0.00 C ATOM 330 O TYR A 24 -0.209 -2.708 0.324 1.00 0.00 O ATOM 331 CB TYR A 24 -2.329 -3.225 -2.247 1.00 0.00 C ATOM 332 CG TYR A 24 -3.013 -1.886 -1.777 1.00 0.00 C ATOM 333 CD1 TYR A 24 -2.302 -0.697 -1.665 1.00 0.00 C ATOM 334 CD2 TYR A 24 -4.374 -1.839 -1.505 1.00 0.00 C ATOM 335 CE1 TYR A 24 -2.924 0.485 -1.307 1.00 0.00 C ATOM 336 CE2 TYR A 24 -4.999 -0.659 -1.147 1.00 0.00 C ATOM 337 CZ TYR A 24 -4.283 0.521 -1.045 1.00 0.00 C ATOM 338 OH TYR A 24 -4.933 1.692 -0.703 1.00 0.00 O ATOM 0 H TYR A 24 -2.707 -4.174 0.460 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.889 -4.916 -1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.723 -2.984 -3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.125 -3.889 -2.584 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.240 -0.696 -1.862 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.958 -2.745 -1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.342 1.392 -1.231 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.060 -0.658 -0.944 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.885 1.508 -0.560 1.00 0.00 H new ATOM 348 N LYS A 25 0.542 -2.729 -1.806 1.00 0.00 N ATOM 349 CA LYS A 25 1.725 -1.790 -1.675 1.00 0.00 C ATOM 350 C LYS A 25 1.539 -0.835 -2.886 1.00 0.00 C ATOM 351 O LYS A 25 1.193 -1.377 -3.921 1.00 0.00 O ATOM 352 CB LYS A 25 3.122 -2.497 -1.881 1.00 0.00 C ATOM 353 CG LYS A 25 3.866 -2.959 -0.569 1.00 0.00 C ATOM 354 CD LYS A 25 5.059 -3.919 -0.929 1.00 0.00 C ATOM 355 CE LYS A 25 6.198 -3.872 0.127 1.00 0.00 C ATOM 356 NZ LYS A 25 7.142 -2.752 -0.168 1.00 0.00 N ATOM 0 H LYS A 25 0.431 -3.078 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 25 1.740 -1.340 -0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.974 -3.370 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.776 -1.814 -2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.240 -2.089 -0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.167 -3.469 0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.687 -4.940 -1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.460 -3.645 -1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.773 -3.744 1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.738 -4.819 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.896 -2.736 0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.561 -2.890 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.626 -1.849 -0.148 1.00 0.00 H new ATOM 370 N LYS A 26 1.751 0.468 -2.770 1.00 0.00 N ATOM 371 CA LYS A 26 1.585 1.444 -3.930 1.00 0.00 C ATOM 372 C LYS A 26 2.763 2.447 -3.951 1.00 0.00 C ATOM 373 O LYS A 26 3.206 2.753 -2.855 1.00 0.00 O ATOM 374 CB LYS A 26 0.380 2.407 -3.826 1.00 0.00 C ATOM 375 CG LYS A 26 -0.988 1.935 -4.392 1.00 0.00 C ATOM 376 CD LYS A 26 -1.977 3.146 -4.269 1.00 0.00 C ATOM 377 CE LYS A 26 -3.364 2.795 -4.839 1.00 0.00 C ATOM 378 NZ LYS A 26 -4.263 3.988 -4.765 1.00 0.00 N ATOM 0 H LYS A 26 2.040 0.912 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 26 1.489 0.779 -4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.238 2.651 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.649 3.333 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.888 1.623 -5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.360 1.075 -3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.074 3.434 -3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.570 4.006 -4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.268 2.465 -5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.798 1.967 -4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.197 3.743 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.365 4.285 -3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.853 4.767 -5.319 1.00 0.00 H new ATOM 392 N VAL A 27 3.219 2.924 -5.103 1.00 0.00 N ATOM 393 CA VAL A 27 4.356 3.917 -5.128 1.00 0.00 C ATOM 394 C VAL A 27 4.093 4.902 -6.310 1.00 0.00 C ATOM 395 O VAL A 27 3.617 4.402 -7.321 1.00 0.00 O ATOM 396 CB VAL A 27 5.719 3.248 -5.441 1.00 0.00 C ATOM 397 CG1 VAL A 27 6.913 4.098 -4.911 1.00 0.00 C ATOM 398 CG2 VAL A 27 5.781 1.777 -4.952 1.00 0.00 C ATOM 0 H VAL A 27 2.852 2.668 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 27 4.400 4.393 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 27 5.812 3.212 -6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.851 3.596 -5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.897 5.081 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.827 4.212 -3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.756 1.354 -5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.631 1.746 -3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.000 1.197 -5.444 1.00 0.00 H new ATOM 408 N TRP A 28 4.365 6.196 -6.207 1.00 0.00 N ATOM 409 CA TRP A 28 4.111 7.078 -7.403 1.00 0.00 C ATOM 410 C TRP A 28 5.107 8.259 -7.311 1.00 0.00 C ATOM 411 O TRP A 28 5.565 8.534 -6.214 1.00 0.00 O ATOM 412 CB TRP A 28 2.604 7.564 -7.446 1.00 0.00 C ATOM 413 CG TRP A 28 2.034 8.581 -6.459 1.00 0.00 C ATOM 414 CD1 TRP A 28 2.064 9.928 -6.635 1.00 0.00 C ATOM 415 CD2 TRP A 28 1.379 8.302 -5.312 1.00 0.00 C ATOM 416 NE1 TRP A 28 1.415 10.366 -5.578 1.00 0.00 N ATOM 417 CE2 TRP A 28 0.960 9.470 -4.716 1.00 0.00 C ATOM 418 CE3 TRP A 28 1.104 7.090 -4.720 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.259 9.423 -3.524 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.407 7.039 -3.530 1.00 0.00 C ATOM 421 CH2 TRP A 28 -0.016 8.210 -2.935 1.00 0.00 C ATOM 0 H TRP A 28 4.737 6.661 -5.379 1.00 0.00 H new ATOM 0 HA TRP A 28 4.268 6.532 -8.333 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.438 7.972 -8.443 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.987 6.670 -7.361 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.508 10.495 -7.439 1.00 0.00 H new ATOM 0 HE1 TRP A 28 1.267 11.364 -5.427 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.435 6.175 -5.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.072 10.338 -3.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.194 6.087 -3.067 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -0.564 8.174 -2.005 1.00 0.00 H new ATOM 432 N ARG A 29 5.421 8.930 -8.405 1.00 0.00 N ATOM 433 CA ARG A 29 6.406 10.079 -8.399 1.00 0.00 C ATOM 434 C ARG A 29 5.767 11.358 -8.937 1.00 0.00 C ATOM 435 O ARG A 29 4.810 11.253 -9.678 1.00 0.00 O ATOM 436 CB ARG A 29 7.633 9.605 -9.266 1.00 0.00 C ATOM 437 CG ARG A 29 8.744 10.647 -9.592 1.00 0.00 C ATOM 438 CD ARG A 29 10.044 9.868 -9.969 1.00 0.00 C ATOM 439 NE ARG A 29 10.860 10.643 -10.957 1.00 0.00 N ATOM 440 CZ ARG A 29 11.782 11.490 -10.577 1.00 0.00 C ATOM 441 NH1 ARG A 29 12.010 11.688 -9.308 1.00 0.00 N ATOM 442 NH2 ARG A 29 12.458 12.122 -11.499 1.00 0.00 N ATOM 0 H ARG A 29 5.027 8.726 -9.324 1.00 0.00 H new ATOM 0 HA ARG A 29 6.730 10.327 -7.388 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.102 8.767 -8.751 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.246 9.222 -10.211 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.433 11.290 -10.416 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.923 11.294 -8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.634 9.679 -9.072 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.783 8.897 -10.389 1.00 0.00 H new ATOM 0 HE ARG A 29 10.692 10.507 -11.954 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.469 11.182 -8.607 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.730 12.349 -9.016 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.261 11.949 -12.485 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.183 12.788 -11.233 1.00 0.00 H new ATOM 456 N ASP A 30 6.301 12.503 -8.569 1.00 0.00 N ATOM 457 CA ASP A 30 5.756 13.817 -9.029 1.00 0.00 C ATOM 458 C ASP A 30 7.028 14.653 -9.139 1.00 0.00 C ATOM 459 O ASP A 30 8.094 14.098 -9.008 1.00 0.00 O ATOM 460 CB ASP A 30 4.818 14.443 -7.964 1.00 0.00 C ATOM 461 CG ASP A 30 3.947 15.586 -8.522 1.00 0.00 C ATOM 462 OD1 ASP A 30 3.002 15.254 -9.222 1.00 0.00 O ATOM 463 OD2 ASP A 30 4.272 16.723 -8.218 1.00 0.00 O ATOM 0 H ASP A 30 7.111 12.578 -7.954 1.00 0.00 H new ATOM 0 HA ASP A 30 5.168 13.745 -9.944 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.170 13.666 -7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.419 14.822 -7.137 1.00 0.00 H new ATOM 468 N HIS A 31 6.867 15.935 -9.352 1.00 0.00 N ATOM 469 CA HIS A 31 8.005 16.914 -9.495 1.00 0.00 C ATOM 470 C HIS A 31 8.793 17.070 -8.210 1.00 0.00 C ATOM 471 O HIS A 31 9.996 17.198 -8.227 1.00 0.00 O ATOM 472 CB HIS A 31 7.459 18.322 -9.883 1.00 0.00 C ATOM 473 CG HIS A 31 8.538 19.392 -10.196 1.00 0.00 C ATOM 474 ND1 HIS A 31 9.338 19.419 -11.221 1.00 0.00 N ATOM 475 CD2 HIS A 31 8.877 20.540 -9.482 1.00 0.00 C ATOM 476 CE1 HIS A 31 10.094 20.471 -11.156 1.00 0.00 C ATOM 477 NE2 HIS A 31 9.843 21.194 -10.094 1.00 0.00 N ATOM 0 H HIS A 31 5.948 16.369 -9.438 1.00 0.00 H new ATOM 0 HA HIS A 31 8.659 16.515 -10.271 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.814 18.215 -10.755 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.835 18.688 -9.068 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.413 20.850 -8.557 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.843 20.721 -11.892 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.292 22.064 -9.807 1.00 0.00 H new ATOM 485 N ARG A 32 8.088 17.062 -7.119 1.00 0.00 N ATOM 486 CA ARG A 32 8.796 17.224 -5.825 1.00 0.00 C ATOM 487 C ARG A 32 9.625 16.023 -5.431 1.00 0.00 C ATOM 488 O ARG A 32 10.727 16.170 -4.947 1.00 0.00 O ATOM 489 CB ARG A 32 7.849 17.424 -4.629 1.00 0.00 C ATOM 490 CG ARG A 32 7.159 18.819 -4.502 1.00 0.00 C ATOM 491 CD ARG A 32 6.219 19.211 -5.655 1.00 0.00 C ATOM 492 NE ARG A 32 5.293 20.240 -5.072 1.00 0.00 N ATOM 493 CZ ARG A 32 4.690 21.158 -5.784 1.00 0.00 C ATOM 494 NH1 ARG A 32 4.868 21.225 -7.075 1.00 0.00 N ATOM 495 NH2 ARG A 32 3.907 21.996 -5.157 1.00 0.00 N ATOM 0 H ARG A 32 7.075 16.953 -7.065 1.00 0.00 H new ATOM 0 HA ARG A 32 9.414 18.102 -6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.070 16.663 -4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.413 17.240 -3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.590 18.838 -3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.935 19.580 -4.417 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.778 19.616 -6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.666 18.347 -6.024 1.00 0.00 H new ATOM 0 HE ARG A 32 5.125 20.222 -4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.483 20.557 -7.540 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.392 21.945 -7.619 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.783 21.921 -4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.420 22.725 -5.677 1.00 0.00 H new ATOM 509 N GLY A 33 9.102 14.852 -5.620 1.00 0.00 N ATOM 510 CA GLY A 33 9.909 13.681 -5.217 1.00 0.00 C ATOM 511 C GLY A 33 8.935 12.504 -5.316 1.00 0.00 C ATOM 512 O GLY A 33 8.149 12.531 -6.245 1.00 0.00 O ATOM 0 H GLY A 33 8.184 14.658 -6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.768 13.544 -5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.297 13.793 -4.205 1.00 0.00 H new ATOM 516 N THR A 34 8.946 11.529 -4.434 1.00 0.00 N ATOM 517 CA THR A 34 7.988 10.403 -4.584 1.00 0.00 C ATOM 518 C THR A 34 7.250 10.196 -3.231 1.00 0.00 C ATOM 519 O THR A 34 7.677 10.793 -2.257 1.00 0.00 O ATOM 520 CB THR A 34 8.908 9.224 -5.064 1.00 0.00 C ATOM 521 OG1 THR A 34 8.156 8.042 -5.314 1.00 0.00 O ATOM 522 CG2 THR A 34 9.975 8.841 -3.990 1.00 0.00 C ATOM 0 H THR A 34 9.571 11.471 -3.630 1.00 0.00 H new ATOM 0 HA THR A 34 7.176 10.538 -5.299 1.00 0.00 H new ATOM 0 HB THR A 34 9.387 9.586 -5.974 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.254 8.285 -5.609 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.589 8.022 -4.363 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.608 9.704 -3.782 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.473 8.530 -3.074 1.00 0.00 H new ATOM 530 N ILE A 35 6.205 9.382 -3.225 1.00 0.00 N ATOM 531 CA ILE A 35 5.406 9.092 -1.997 1.00 0.00 C ATOM 532 C ILE A 35 5.189 7.545 -2.082 1.00 0.00 C ATOM 533 O ILE A 35 5.232 7.044 -3.198 1.00 0.00 O ATOM 534 CB ILE A 35 4.052 9.862 -2.082 1.00 0.00 C ATOM 535 CG1 ILE A 35 4.338 11.315 -2.582 1.00 0.00 C ATOM 536 CG2 ILE A 35 3.356 9.934 -0.703 1.00 0.00 C ATOM 537 CD1 ILE A 35 3.097 12.210 -2.406 1.00 0.00 C ATOM 0 H ILE A 35 5.871 8.895 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 35 5.879 9.394 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 35 3.393 9.332 -2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.177 11.736 -2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.629 11.292 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.416 10.477 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.157 8.925 -0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.004 10.451 0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.321 13.216 -2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.267 11.799 -2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.824 12.250 -1.352 1.00 0.00 H new ATOM 549 N ILE A 36 4.960 6.874 -0.960 1.00 0.00 N ATOM 550 CA ILE A 36 4.744 5.382 -0.908 1.00 0.00 C ATOM 551 C ILE A 36 3.608 5.097 0.133 1.00 0.00 C ATOM 552 O ILE A 36 3.573 5.863 1.079 1.00 0.00 O ATOM 553 CB ILE A 36 6.017 4.666 -0.372 1.00 0.00 C ATOM 554 CG1 ILE A 36 7.313 5.424 -0.801 1.00 0.00 C ATOM 555 CG2 ILE A 36 6.088 3.190 -0.818 1.00 0.00 C ATOM 556 CD1 ILE A 36 8.567 4.635 -0.363 1.00 0.00 C ATOM 0 H ILE A 36 4.913 7.323 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 36 4.501 5.026 -1.909 1.00 0.00 H new ATOM 0 HB ILE A 36 5.948 4.679 0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.321 5.561 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.326 6.418 -0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.994 2.733 -0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.216 2.654 -0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.105 3.139 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.462 5.176 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.565 4.521 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.560 3.651 -0.832 1.00 0.00 H new ATOM 568 N GLU A 37 2.730 4.110 0.007 1.00 0.00 N ATOM 569 CA GLU A 37 1.702 3.922 1.097 1.00 0.00 C ATOM 570 C GLU A 37 1.329 2.419 1.072 1.00 0.00 C ATOM 571 O GLU A 37 1.693 1.779 0.099 1.00 0.00 O ATOM 572 CB GLU A 37 0.422 4.846 0.879 1.00 0.00 C ATOM 573 CG GLU A 37 -0.732 4.342 0.004 1.00 0.00 C ATOM 574 CD GLU A 37 -1.790 5.471 -0.027 1.00 0.00 C ATOM 575 OE1 GLU A 37 -2.231 5.861 1.046 1.00 0.00 O ATOM 576 OE2 GLU A 37 -2.100 5.883 -1.132 1.00 0.00 O ATOM 0 H GLU A 37 2.682 3.453 -0.771 1.00 0.00 H new ATOM 0 HA GLU A 37 2.104 4.217 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.011 5.073 1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.768 5.788 0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.383 4.111 -1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.156 3.425 0.413 1.00 0.00 H new ATOM 583 N ARG A 38 0.635 1.905 2.076 1.00 0.00 N ATOM 584 CA ARG A 38 0.219 0.442 2.172 1.00 0.00 C ATOM 585 C ARG A 38 -1.332 0.294 2.330 1.00 0.00 C ATOM 586 O ARG A 38 -1.929 1.283 2.705 1.00 0.00 O ATOM 587 CB ARG A 38 0.856 -0.236 3.423 1.00 0.00 C ATOM 588 CG ARG A 38 2.334 -0.771 3.279 1.00 0.00 C ATOM 589 CD ARG A 38 3.525 0.245 3.233 1.00 0.00 C ATOM 590 NE ARG A 38 4.738 -0.606 2.968 1.00 0.00 N ATOM 591 CZ ARG A 38 5.976 -0.204 3.136 1.00 0.00 C ATOM 592 NH1 ARG A 38 6.243 1.002 3.559 1.00 0.00 N ATOM 593 NH2 ARG A 38 6.930 -1.056 2.864 1.00 0.00 N ATOM 0 H ARG A 38 0.324 2.463 2.871 1.00 0.00 H new ATOM 0 HA ARG A 38 0.558 -0.030 1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.835 0.481 4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.221 -1.073 3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.517 -1.450 4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.378 -1.366 2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.383 0.988 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.619 0.788 4.173 1.00 0.00 H new ATOM 0 HE ARG A 38 4.588 -1.559 2.636 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.483 1.650 3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.212 1.296 3.683 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.698 -1.993 2.535 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.906 -0.783 2.981 1.00 0.00 H new ATOM 607 N GLY A 39 -1.965 -0.848 2.088 1.00 0.00 N ATOM 608 CA GLY A 39 -3.466 -0.894 2.268 1.00 0.00 C ATOM 609 C GLY A 39 -4.125 -2.323 2.155 1.00 0.00 C ATOM 610 O GLY A 39 -3.394 -3.293 2.046 1.00 0.00 O ATOM 0 H GLY A 39 -1.526 -1.717 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.709 -0.478 3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.923 -0.243 1.522 1.00 0.00 H new ATOM 614 N CYS A 40 -5.453 -2.409 2.172 1.00 0.00 N ATOM 615 CA CYS A 40 -6.224 -3.719 2.078 1.00 0.00 C ATOM 616 C CYS A 40 -6.829 -3.797 0.667 1.00 0.00 C ATOM 617 O CYS A 40 -7.283 -2.777 0.189 1.00 0.00 O ATOM 618 CB CYS A 40 -7.528 -3.845 3.001 1.00 0.00 C ATOM 619 SG CYS A 40 -7.579 -4.176 4.792 1.00 0.00 S ATOM 0 H CYS A 40 -6.057 -1.591 2.250 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.497 -4.477 2.369 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -8.070 -2.909 2.865 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.130 -4.631 2.545 1.00 0.00 H new ATOM 624 N GLY A 41 -6.857 -4.925 0.006 1.00 0.00 N ATOM 625 CA GLY A 41 -7.477 -4.919 -1.353 1.00 0.00 C ATOM 626 C GLY A 41 -6.375 -4.989 -2.401 1.00 0.00 C ATOM 627 O GLY A 41 -5.249 -5.189 -1.990 1.00 0.00 O ATOM 0 H GLY A 41 -6.492 -5.820 0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.154 -5.766 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.072 -4.016 -1.492 1.00 0.00 H new ATOM 631 N CYS A 42 -6.697 -4.842 -3.676 1.00 0.00 N ATOM 632 CA CYS A 42 -5.686 -4.890 -4.794 1.00 0.00 C ATOM 633 C CYS A 42 -6.321 -4.165 -6.035 1.00 0.00 C ATOM 634 O CYS A 42 -6.724 -4.853 -6.944 1.00 0.00 O ATOM 635 CB CYS A 42 -5.362 -6.401 -5.130 1.00 0.00 C ATOM 636 SG CYS A 42 -4.132 -6.922 -6.362 1.00 0.00 S ATOM 0 H CYS A 42 -7.653 -4.685 -3.995 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.756 -4.395 -4.515 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -5.068 -6.867 -4.189 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.306 -6.856 -5.430 1.00 0.00 H new ATOM 641 N PRO A 43 -6.446 -2.850 -6.065 1.00 0.00 N ATOM 642 CA PRO A 43 -7.040 -2.059 -7.221 1.00 0.00 C ATOM 643 C PRO A 43 -6.361 -2.071 -8.642 1.00 0.00 C ATOM 644 O PRO A 43 -5.399 -2.766 -8.877 1.00 0.00 O ATOM 645 CB PRO A 43 -7.129 -0.623 -6.701 1.00 0.00 C ATOM 646 CG PRO A 43 -7.098 -0.784 -5.140 1.00 0.00 C ATOM 647 CD PRO A 43 -6.068 -1.944 -4.950 1.00 0.00 C ATOM 0 HA PRO A 43 -7.976 -2.563 -7.463 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.296 -0.017 -7.057 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.044 -0.134 -7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.777 0.131 -4.642 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.078 -1.039 -4.737 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.038 -1.597 -5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.165 -2.426 -3.977 1.00 0.00 H new ATOM 721 N GLY A 48 2.461 5.300 -15.034 1.00 0.00 N ATOM 722 CA GLY A 48 2.913 6.428 -14.217 1.00 0.00 C ATOM 723 C GLY A 48 2.839 5.983 -12.780 1.00 0.00 C ATOM 724 O GLY A 48 3.534 6.542 -11.954 1.00 0.00 O ATOM 0 HA2 GLY A 48 3.931 6.713 -14.481 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.284 7.302 -14.384 1.00 0.00 H new ATOM 728 N ILE A 49 2.031 5.001 -12.490 1.00 0.00 N ATOM 729 CA ILE A 49 1.941 4.568 -11.075 1.00 0.00 C ATOM 730 C ILE A 49 2.494 3.136 -11.067 1.00 0.00 C ATOM 731 O ILE A 49 2.494 2.539 -12.127 1.00 0.00 O ATOM 732 CB ILE A 49 0.430 4.693 -10.728 1.00 0.00 C ATOM 733 CG1 ILE A 49 -0.005 6.191 -10.871 1.00 0.00 C ATOM 734 CG2 ILE A 49 0.101 4.189 -9.314 1.00 0.00 C ATOM 735 CD1 ILE A 49 -1.537 6.311 -10.846 1.00 0.00 C ATOM 0 H ILE A 49 1.445 4.494 -13.153 1.00 0.00 H new ATOM 0 HA ILE A 49 2.502 5.139 -10.335 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.122 4.062 -11.425 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.425 6.780 -10.061 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.383 6.601 -11.804 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.967 4.301 -9.127 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.376 3.138 -9.229 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.660 4.771 -8.581 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.822 7.358 -10.946 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.960 5.739 -11.672 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.917 5.921 -9.902 1.00 0.00 H new ATOM 747 N LYS A 50 2.933 2.630 -9.929 1.00 0.00 N ATOM 748 CA LYS A 50 3.480 1.230 -9.847 1.00 0.00 C ATOM 749 C LYS A 50 2.626 0.624 -8.722 1.00 0.00 C ATOM 750 O LYS A 50 2.336 1.369 -7.797 1.00 0.00 O ATOM 751 CB LYS A 50 4.994 1.266 -9.466 1.00 0.00 C ATOM 752 CG LYS A 50 5.840 1.309 -10.787 1.00 0.00 C ATOM 753 CD LYS A 50 7.288 1.871 -10.622 1.00 0.00 C ATOM 754 CE LYS A 50 8.017 1.344 -9.370 1.00 0.00 C ATOM 755 NZ LYS A 50 8.032 -0.144 -9.329 1.00 0.00 N ATOM 0 H LYS A 50 2.935 3.136 -9.043 1.00 0.00 H new ATOM 0 HA LYS A 50 3.429 0.665 -10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.209 2.139 -8.850 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.257 0.388 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.902 0.300 -11.195 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.311 1.917 -11.520 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.871 1.614 -11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.243 2.959 -10.575 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.040 1.719 -9.360 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.528 1.728 -8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.926 -0.471 -8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.236 -0.483 -8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.945 -0.519 -10.295 1.00 0.00 H new ATOM 769 N LEU A 51 2.264 -0.647 -8.789 1.00 0.00 N ATOM 770 CA LEU A 51 1.405 -1.274 -7.717 1.00 0.00 C ATOM 771 C LEU A 51 1.891 -2.727 -7.512 1.00 0.00 C ATOM 772 O LEU A 51 2.442 -3.237 -8.469 1.00 0.00 O ATOM 773 CB LEU A 51 -0.033 -1.292 -8.241 1.00 0.00 C ATOM 774 CG LEU A 51 -1.158 -0.999 -7.215 1.00 0.00 C ATOM 775 CD1 LEU A 51 -2.457 -0.744 -8.043 1.00 0.00 C ATOM 776 CD2 LEU A 51 -1.414 -2.174 -6.214 1.00 0.00 C ATOM 0 H LEU A 51 2.529 -1.279 -9.545 1.00 0.00 H new ATOM 0 HA LEU A 51 1.462 -0.726 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.110 -0.561 -9.046 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.222 -2.272 -8.680 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.861 -0.144 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.284 -0.532 -7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.304 0.107 -8.707 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.691 -1.629 -8.635 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.214 -1.898 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.703 -3.067 -6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.504 -2.376 -5.650 1.00 0.00 H new ATOM 788 N ASN A 52 1.694 -3.340 -6.356 1.00 0.00 N ATOM 789 CA ASN A 52 2.140 -4.774 -6.115 1.00 0.00 C ATOM 790 C ASN A 52 1.155 -5.386 -5.111 1.00 0.00 C ATOM 791 O ASN A 52 0.704 -4.604 -4.294 1.00 0.00 O ATOM 792 CB ASN A 52 3.507 -4.919 -5.447 1.00 0.00 C ATOM 793 CG ASN A 52 4.594 -5.100 -6.520 1.00 0.00 C ATOM 794 OD1 ASN A 52 5.071 -4.148 -7.107 1.00 0.00 O ATOM 795 ND2 ASN A 52 5.023 -6.300 -6.825 1.00 0.00 N ATOM 0 H ASN A 52 1.237 -2.904 -5.555 1.00 0.00 H new ATOM 0 HA ASN A 52 2.183 -5.246 -7.096 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.722 -4.038 -4.843 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.503 -5.775 -4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.741 -6.419 -7.540 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.639 -7.115 -6.347 1.00 0.00 H new ATOM 802 N CYS A 53 0.850 -6.677 -5.138 1.00 0.00 N ATOM 803 CA CYS A 53 -0.131 -7.288 -4.148 1.00 0.00 C ATOM 804 C CYS A 53 0.386 -8.639 -3.592 1.00 0.00 C ATOM 805 O CYS A 53 1.222 -9.221 -4.262 1.00 0.00 O ATOM 806 CB CYS A 53 -1.487 -7.602 -4.821 1.00 0.00 C ATOM 807 SG CYS A 53 -2.291 -6.298 -5.791 1.00 0.00 S ATOM 0 H CYS A 53 1.240 -7.340 -5.808 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.242 -6.551 -3.352 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.341 -8.461 -5.476 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -2.182 -7.911 -4.040 1.00 0.00 H new ATOM 812 N CYS A 54 -0.089 -9.096 -2.443 1.00 0.00 N ATOM 813 CA CYS A 54 0.367 -10.412 -1.862 1.00 0.00 C ATOM 814 C CYS A 54 -0.831 -11.097 -1.162 1.00 0.00 C ATOM 815 O CYS A 54 -1.824 -10.420 -0.932 1.00 0.00 O ATOM 816 CB CYS A 54 1.527 -10.221 -0.822 1.00 0.00 C ATOM 817 SG CYS A 54 1.713 -8.740 0.209 1.00 0.00 S ATOM 0 H CYS A 54 -0.782 -8.605 -1.878 1.00 0.00 H new ATOM 0 HA CYS A 54 0.744 -11.028 -2.678 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.467 -11.067 -0.137 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.458 -10.327 -1.378 1.00 0.00 H new ATOM 822 N THR A 55 -0.728 -12.373 -0.850 1.00 0.00 N ATOM 823 CA THR A 55 -1.838 -13.093 -0.182 1.00 0.00 C ATOM 824 C THR A 55 -1.394 -13.690 1.182 1.00 0.00 C ATOM 825 O THR A 55 -2.211 -14.145 1.960 1.00 0.00 O ATOM 826 CB THR A 55 -2.271 -14.221 -1.129 1.00 0.00 C ATOM 827 OG1 THR A 55 -1.047 -14.923 -1.342 1.00 0.00 O ATOM 828 CG2 THR A 55 -2.569 -13.752 -2.570 1.00 0.00 C ATOM 0 H THR A 55 0.096 -12.944 -1.038 1.00 0.00 H new ATOM 0 HA THR A 55 -2.657 -12.404 0.024 1.00 0.00 H new ATOM 0 HB THR A 55 -3.140 -14.722 -0.702 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.205 -15.681 -1.943 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.868 -14.607 -3.176 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.375 -13.018 -2.554 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.674 -13.299 -2.998 1.00 0.00 H new ATOM 836 N THR A 56 -0.127 -13.685 1.455 1.00 0.00 N ATOM 837 CA THR A 56 0.273 -14.279 2.737 1.00 0.00 C ATOM 838 C THR A 56 0.148 -13.255 3.867 1.00 0.00 C ATOM 839 O THR A 56 0.138 -12.069 3.617 1.00 0.00 O ATOM 840 CB THR A 56 1.692 -14.773 2.443 1.00 0.00 C ATOM 841 OG1 THR A 56 2.095 -13.870 1.411 1.00 0.00 O ATOM 842 CG2 THR A 56 1.706 -16.162 1.732 1.00 0.00 C ATOM 0 H THR A 56 0.619 -13.310 0.869 1.00 0.00 H new ATOM 0 HA THR A 56 -0.352 -15.098 3.093 1.00 0.00 H new ATOM 0 HB THR A 56 2.282 -14.833 3.358 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.009 -14.083 1.129 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.736 -16.466 1.547 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.219 -16.901 2.368 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.173 -16.091 0.784 1.00 0.00 H new ATOM 850 N ASP A 57 0.074 -13.734 5.077 1.00 0.00 N ATOM 851 CA ASP A 57 -0.062 -12.772 6.188 1.00 0.00 C ATOM 852 C ASP A 57 1.213 -11.975 6.347 1.00 0.00 C ATOM 853 O ASP A 57 2.286 -12.498 6.132 1.00 0.00 O ATOM 854 CB ASP A 57 -0.366 -13.515 7.499 1.00 0.00 C ATOM 855 CG ASP A 57 -1.770 -14.149 7.412 1.00 0.00 C ATOM 856 OD1 ASP A 57 -1.920 -15.108 6.671 1.00 0.00 O ATOM 857 OD2 ASP A 57 -2.625 -13.620 8.105 1.00 0.00 O ATOM 0 H ASP A 57 0.101 -14.721 5.334 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.884 -12.094 5.959 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.384 -14.286 7.675 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.318 -12.825 8.341 1.00 0.00 H new ATOM 862 N LYS A 58 0.958 -10.755 6.752 1.00 0.00 N ATOM 863 CA LYS A 58 1.930 -9.652 7.015 1.00 0.00 C ATOM 864 C LYS A 58 3.156 -9.694 6.135 1.00 0.00 C ATOM 865 O LYS A 58 4.279 -9.690 6.593 1.00 0.00 O ATOM 866 CB LYS A 58 2.416 -9.612 8.532 1.00 0.00 C ATOM 867 CG LYS A 58 2.691 -10.951 9.282 1.00 0.00 C ATOM 868 CD LYS A 58 3.298 -10.531 10.666 1.00 0.00 C ATOM 869 CE LYS A 58 3.261 -11.669 11.714 1.00 0.00 C ATOM 870 NZ LYS A 58 3.975 -12.880 11.227 1.00 0.00 N ATOM 0 H LYS A 58 -0.001 -10.455 6.928 1.00 0.00 H new ATOM 0 HA LYS A 58 1.363 -8.751 6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.333 -9.023 8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.665 -9.066 9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.773 -11.525 9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.384 -11.580 8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.330 -10.211 10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.749 -9.672 11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.717 -11.325 12.643 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.226 -11.922 11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.990 -13.599 11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.484 -13.261 10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.950 -12.628 10.969 1.00 0.00 H new ATOM 884 N CYS A 59 2.858 -9.695 4.870 1.00 0.00 N ATOM 885 CA CYS A 59 3.902 -9.737 3.817 1.00 0.00 C ATOM 886 C CYS A 59 4.538 -8.385 3.634 1.00 0.00 C ATOM 887 O CYS A 59 5.703 -8.242 3.334 1.00 0.00 O ATOM 888 CB CYS A 59 3.267 -10.147 2.493 1.00 0.00 C ATOM 889 SG CYS A 59 1.639 -9.434 2.108 1.00 0.00 S ATOM 0 H CYS A 59 1.903 -9.668 4.512 1.00 0.00 H new ATOM 0 HA CYS A 59 4.663 -10.455 4.123 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.954 -9.879 1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.173 -11.233 2.483 1.00 0.00 H new ATOM 894 N ASN A 60 3.724 -7.404 3.822 1.00 0.00 N ATOM 895 CA ASN A 60 4.218 -6.013 3.658 1.00 0.00 C ATOM 896 C ASN A 60 5.053 -5.532 4.794 1.00 0.00 C ATOM 897 O ASN A 60 5.630 -4.469 4.701 1.00 0.00 O ATOM 898 CB ASN A 60 3.069 -4.987 3.532 1.00 0.00 C ATOM 899 CG ASN A 60 1.811 -5.448 4.307 1.00 0.00 C ATOM 900 OD1 ASN A 60 1.915 -6.055 5.362 1.00 0.00 O ATOM 901 ND2 ASN A 60 0.616 -5.188 3.828 1.00 0.00 N ATOM 0 H ASN A 60 2.742 -7.495 4.081 1.00 0.00 H new ATOM 0 HA ASN A 60 4.812 -6.071 2.746 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.399 -4.021 3.913 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.819 -4.846 2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.214 -5.492 4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.518 -4.682 2.948 1.00 0.00 H new ATOM 908 N ASN A 61 5.132 -6.289 5.837 1.00 0.00 N ATOM 909 CA ASN A 61 5.956 -5.801 6.989 1.00 0.00 C ATOM 910 C ASN A 61 7.423 -5.976 6.684 1.00 0.00 C ATOM 911 O ASN A 61 7.697 -6.790 5.818 1.00 0.00 O ATOM 912 CB ASN A 61 5.604 -6.603 8.239 1.00 0.00 C ATOM 913 CG ASN A 61 6.187 -5.934 9.489 1.00 0.00 C ATOM 914 OD1 ASN A 61 7.317 -6.169 9.869 1.00 0.00 O ATOM 915 ND2 ASN A 61 5.449 -5.091 10.168 1.00 0.00 N ATOM 916 OXT ASN A 61 8.204 -5.297 7.327 1.00 0.00 O ATOM 0 H ASN A 61 4.683 -7.197 5.955 1.00 0.00 H new ATOM 0 HA ASN A 61 5.746 -4.744 7.155 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.521 -6.683 8.334 1.00 0.00 H new ATOM 0 HB3 ASN A 61 5.992 -7.618 8.148 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.825 -4.642 11.003 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.499 -4.884 9.861 1.00 0.00 H new