USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 388 hydrogens (5 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot -127:sc= -0.102 USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.0293 K(o=0.029,f=-3.2!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0543 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.165 K(o=-0.16,f=-1) USER MOD Single : A 21 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.043) USER MOD Single : A 24 SER OG : rot -78:sc= 1.21 USER MOD Single : A 26 HIS : no HE2:sc= 0.298 K(o=0.3,f=-3.2!) USER MOD Single : A 36 SER OG : rot -160:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.453 K(o=0.45,f=-7.5!) USER MOD Single : A 39 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.3) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -17.335 5.171 2.549 1.00 0.00 N HETATM 2 CA PCA A 1 -16.036 4.741 2.069 1.00 0.00 C HETATM 3 CB PCA A 1 -15.142 4.821 3.312 1.00 0.00 C HETATM 4 CG PCA A 1 -15.788 5.973 4.089 1.00 0.00 C HETATM 5 CD PCA A 1 -17.239 5.900 3.655 1.00 0.00 C HETATM 6 OE PCA A 1 -18.166 6.440 4.252 1.00 0.00 O HETATM 7 C PCA A 1 -16.079 3.337 1.469 1.00 0.00 C HETATM 8 O PCA A 1 -17.069 2.627 1.603 1.00 0.00 O HETATM 0 H2 PCA A 1 -17.258 6.129 2.948 1.00 0.00 H new HETATM 0 HA PCA A 1 -15.665 5.362 1.254 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -15.148 3.891 3.880 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -14.104 5.032 3.056 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -15.681 5.844 5.166 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -15.338 6.933 3.837 1.00 0.00 H new ATOM 14 N ASN A 2 -14.988 2.946 0.803 1.00 0.00 N ATOM 15 CA ASN A 2 -14.861 1.650 0.164 1.00 0.00 C ATOM 16 C ASN A 2 -13.428 1.131 0.313 1.00 0.00 C ATOM 17 O ASN A 2 -12.490 1.909 0.521 1.00 0.00 O ATOM 18 CB ASN A 2 -15.240 1.813 -1.308 1.00 0.00 C ATOM 19 CG ASN A 2 -15.295 0.487 -2.055 1.00 0.00 C ATOM 20 OD1 ASN A 2 -15.448 -0.578 -1.461 1.00 0.00 O ATOM 21 ND2 ASN A 2 -15.171 0.554 -3.377 1.00 0.00 N ATOM 0 H ASN A 2 -14.162 3.535 0.696 1.00 0.00 H new ATOM 0 HA ASN A 2 -15.523 0.921 0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -16.211 2.303 -1.376 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -14.517 2.468 -1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -15.201 -0.299 -3.936 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -15.046 1.458 -3.832 1.00 0.00 H new ATOM 28 N CYS A 3 -13.258 -0.189 0.206 1.00 0.00 N ATOM 29 CA CYS A 3 -11.960 -0.839 0.304 1.00 0.00 C ATOM 30 C CYS A 3 -11.908 -2.059 -0.620 1.00 0.00 C ATOM 31 O CYS A 3 -12.107 -3.189 -0.171 1.00 0.00 O ATOM 32 CB CYS A 3 -11.690 -1.216 1.762 1.00 0.00 C ATOM 33 SG CYS A 3 -13.037 -2.060 2.632 1.00 0.00 S ATOM 0 H CYS A 3 -14.029 -0.838 0.047 1.00 0.00 H new ATOM 0 HA CYS A 3 -11.177 -0.154 -0.020 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.808 -1.856 1.793 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.444 -0.307 2.311 1.00 0.00 H new ATOM 38 N PRO A 4 -11.639 -1.839 -1.915 1.00 0.00 N ATOM 39 CA PRO A 4 -11.536 -2.885 -2.922 1.00 0.00 C ATOM 40 C PRO A 4 -10.213 -3.639 -2.803 1.00 0.00 C ATOM 41 O PRO A 4 -9.372 -3.325 -1.959 1.00 0.00 O ATOM 42 CB PRO A 4 -11.629 -2.143 -4.255 1.00 0.00 C ATOM 43 CG PRO A 4 -10.962 -0.808 -3.938 1.00 0.00 C ATOM 44 CD PRO A 4 -11.415 -0.532 -2.507 1.00 0.00 C ATOM 0 HA PRO A 4 -12.316 -3.639 -2.813 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -11.111 -2.676 -5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.663 -2.014 -4.576 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.876 -0.871 -4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.284 -0.023 -4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.657 0.025 -1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.325 0.068 -2.492 1.00 0.00 H new ATOM 52 N THR A 5 -10.029 -4.643 -3.661 1.00 0.00 N ATOM 53 CA THR A 5 -8.808 -5.435 -3.724 1.00 0.00 C ATOM 54 C THR A 5 -8.159 -5.250 -5.091 1.00 0.00 C ATOM 55 O THR A 5 -8.842 -5.322 -6.111 1.00 0.00 O ATOM 56 CB THR A 5 -9.128 -6.912 -3.482 1.00 0.00 C ATOM 57 OG1 THR A 5 -9.914 -7.057 -2.323 1.00 0.00 O ATOM 58 CG2 THR A 5 -7.848 -7.725 -3.314 1.00 0.00 C ATOM 0 H THR A 5 -10.735 -4.930 -4.339 1.00 0.00 H new ATOM 0 HA THR A 5 -8.116 -5.101 -2.950 1.00 0.00 H new ATOM 0 HB THR A 5 -9.676 -7.280 -4.349 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.114 -8.006 -2.180 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.101 -8.771 -3.143 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.242 -7.641 -4.216 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.284 -7.344 -2.462 1.00 0.00 H new ATOM 66 N ARG A 6 -6.842 -5.009 -5.122 1.00 0.00 N ATOM 67 CA ARG A 6 -6.099 -4.855 -6.368 1.00 0.00 C ATOM 68 C ARG A 6 -4.720 -5.484 -6.234 1.00 0.00 C ATOM 69 O ARG A 6 -4.103 -5.402 -5.173 1.00 0.00 O ATOM 70 CB ARG A 6 -5.972 -3.378 -6.746 1.00 0.00 C ATOM 71 CG ARG A 6 -7.342 -2.710 -6.870 1.00 0.00 C ATOM 72 CD ARG A 6 -7.209 -1.288 -7.412 1.00 0.00 C ATOM 73 NE ARG A 6 -6.735 -1.287 -8.804 1.00 0.00 N ATOM 74 CZ ARG A 6 -6.357 -0.190 -9.464 1.00 0.00 C ATOM 75 NH1 ARG A 6 -6.390 1.005 -8.879 1.00 0.00 N ATOM 76 NH2 ARG A 6 -5.941 -0.286 -10.722 1.00 0.00 N ATOM 0 H ARG A 6 -6.268 -4.916 -4.284 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.647 -5.364 -7.161 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.380 -2.858 -5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.436 -3.288 -7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.979 -3.297 -7.532 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.830 -2.688 -5.895 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.173 -0.783 -7.354 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.515 -0.723 -6.789 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.692 -2.180 -9.296 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.707 1.092 -7.913 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.098 1.834 -9.396 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.911 -1.196 -11.181 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.652 0.551 -11.229 1.00 0.00 H new ATOM 90 N ARG A 7 -4.238 -6.111 -7.311 1.00 0.00 N ATOM 91 CA ARG A 7 -2.934 -6.771 -7.368 1.00 0.00 C ATOM 92 C ARG A 7 -2.320 -6.552 -8.749 1.00 0.00 C ATOM 93 O ARG A 7 -3.019 -6.158 -9.683 1.00 0.00 O ATOM 94 CB ARG A 7 -3.097 -8.272 -7.108 1.00 0.00 C ATOM 95 CG ARG A 7 -3.727 -8.597 -5.751 1.00 0.00 C ATOM 96 CD ARG A 7 -2.849 -8.152 -4.580 1.00 0.00 C ATOM 97 NE ARG A 7 -1.607 -8.927 -4.514 1.00 0.00 N ATOM 98 CZ ARG A 7 -0.481 -8.484 -3.944 1.00 0.00 C ATOM 99 NH1 ARG A 7 -0.422 -7.272 -3.401 1.00 0.00 N ATOM 100 NH2 ARG A 7 0.601 -9.258 -3.917 1.00 0.00 N ATOM 0 H ARG A 7 -4.757 -6.174 -8.187 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.280 -6.349 -6.605 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.713 -8.704 -7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.120 -8.750 -7.169 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.699 -8.110 -5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.903 -9.671 -5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.613 -7.093 -4.683 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.400 -8.266 -3.647 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.601 -9.860 -4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.242 -6.666 -3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.444 -6.948 -2.970 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.572 -10.190 -4.331 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.459 -8.920 -3.482 1.00 0.00 H new ATOM 114 N GLY A 8 -1.017 -6.808 -8.884 1.00 0.00 N ATOM 115 CA GLY A 8 -0.323 -6.677 -10.160 1.00 0.00 C ATOM 116 C GLY A 8 -0.141 -5.220 -10.579 1.00 0.00 C ATOM 117 O GLY A 8 0.096 -4.943 -11.750 1.00 0.00 O ATOM 0 H GLY A 8 -0.419 -7.110 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.653 -7.156 -10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.883 -7.206 -10.931 1.00 0.00 H new ATOM 121 N LEU A 9 -0.257 -4.285 -9.630 1.00 0.00 N ATOM 122 CA LEU A 9 -0.184 -2.860 -9.915 1.00 0.00 C ATOM 123 C LEU A 9 1.191 -2.442 -10.443 1.00 0.00 C ATOM 124 O LEU A 9 1.335 -1.343 -10.970 1.00 0.00 O ATOM 125 CB LEU A 9 -0.518 -2.080 -8.640 1.00 0.00 C ATOM 126 CG LEU A 9 -1.949 -2.339 -8.156 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.145 -1.692 -6.787 1.00 0.00 C ATOM 128 CD2 LEU A 9 -2.971 -1.741 -9.124 1.00 0.00 C ATOM 0 H LEU A 9 -0.404 -4.502 -8.644 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.907 -2.634 -10.699 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.184 -2.356 -7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.387 -1.014 -8.824 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.099 -3.417 -8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.162 -1.875 -6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.437 -2.121 -6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.976 -0.618 -6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.978 -1.939 -8.758 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.816 -0.665 -9.197 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.848 -2.193 -10.108 1.00 0.00 H new ATOM 140 N CYS A 10 2.205 -3.301 -10.305 1.00 0.00 N ATOM 141 CA CYS A 10 3.559 -2.996 -10.751 1.00 0.00 C ATOM 142 C CYS A 10 3.844 -3.586 -12.139 1.00 0.00 C ATOM 143 O CYS A 10 4.923 -3.376 -12.690 1.00 0.00 O ATOM 144 CB CYS A 10 4.541 -3.503 -9.692 1.00 0.00 C ATOM 145 SG CYS A 10 6.284 -3.100 -9.979 1.00 0.00 S ATOM 0 H CYS A 10 2.106 -4.224 -9.882 1.00 0.00 H new ATOM 0 HA CYS A 10 3.677 -1.918 -10.860 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.247 -3.094 -8.725 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.444 -4.586 -9.623 1.00 0.00 H new ATOM 150 N VAL A 11 2.890 -4.329 -12.712 1.00 0.00 N ATOM 151 CA VAL A 11 3.093 -4.995 -13.995 1.00 0.00 C ATOM 152 C VAL A 11 2.887 -4.034 -15.165 1.00 0.00 C ATOM 153 O VAL A 11 3.477 -4.226 -16.225 1.00 0.00 O ATOM 154 CB VAL A 11 2.142 -6.198 -14.103 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.349 -6.956 -15.414 1.00 0.00 C ATOM 156 CG2 VAL A 11 2.382 -7.181 -12.958 1.00 0.00 C ATOM 0 H VAL A 11 1.968 -4.482 -12.302 1.00 0.00 H new ATOM 0 HA VAL A 11 4.124 -5.345 -14.045 1.00 0.00 H new ATOM 0 HB VAL A 11 1.128 -5.801 -14.061 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.661 -7.800 -15.459 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.159 -6.288 -16.254 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.375 -7.321 -15.465 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.699 -8.025 -13.054 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.410 -7.541 -12.997 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.209 -6.680 -12.006 1.00 0.00 H new ATOM 166 N THR A 12 2.058 -2.997 -14.988 1.00 0.00 N ATOM 167 CA THR A 12 1.797 -2.052 -16.071 1.00 0.00 C ATOM 168 C THR A 12 1.377 -0.671 -15.562 1.00 0.00 C ATOM 169 O THR A 12 1.588 0.325 -16.253 1.00 0.00 O ATOM 170 CB THR A 12 0.709 -2.642 -16.977 1.00 0.00 C ATOM 171 OG1 THR A 12 0.535 -1.820 -18.109 1.00 0.00 O ATOM 172 CG2 THR A 12 -0.632 -2.773 -16.258 1.00 0.00 C ATOM 0 H THR A 12 1.565 -2.796 -14.118 1.00 0.00 H new ATOM 0 HA THR A 12 2.723 -1.903 -16.627 1.00 0.00 H new ATOM 0 HB THR A 12 1.039 -3.639 -17.269 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.160 -2.201 -18.686 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.371 -3.195 -16.940 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.519 -3.428 -15.394 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.965 -1.789 -15.926 1.00 0.00 H new ATOM 180 N SER A 13 0.791 -0.592 -14.362 1.00 0.00 N ATOM 181 CA SER A 13 0.358 0.675 -13.790 1.00 0.00 C ATOM 182 C SER A 13 1.500 1.404 -13.084 1.00 0.00 C ATOM 183 O SER A 13 1.438 2.615 -12.874 1.00 0.00 O ATOM 184 CB SER A 13 -0.782 0.406 -12.815 1.00 0.00 C ATOM 185 OG SER A 13 -1.904 -0.088 -13.514 1.00 0.00 O ATOM 0 H SER A 13 0.607 -1.401 -13.769 1.00 0.00 H new ATOM 0 HA SER A 13 0.020 1.324 -14.598 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.465 -0.315 -12.061 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.046 1.323 -12.288 1.00 0.00 H new ATOM 0 HG SER A 13 -2.633 -0.261 -12.882 1.00 0.00 H new ATOM 191 N GLY A 14 2.543 0.656 -12.721 1.00 0.00 N ATOM 192 CA GLY A 14 3.764 1.188 -12.136 1.00 0.00 C ATOM 193 C GLY A 14 3.682 1.295 -10.611 1.00 0.00 C ATOM 194 O GLY A 14 2.617 1.126 -10.018 1.00 0.00 O ATOM 0 H GLY A 14 2.558 -0.358 -12.830 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.603 0.548 -12.408 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.966 2.173 -12.556 1.00 0.00 H new ATOM 198 N LEU A 15 4.823 1.585 -9.980 1.00 0.00 N ATOM 199 CA LEU A 15 4.921 1.683 -8.531 1.00 0.00 C ATOM 200 C LEU A 15 4.004 2.780 -7.991 1.00 0.00 C ATOM 201 O LEU A 15 3.544 2.691 -6.853 1.00 0.00 O ATOM 202 CB LEU A 15 6.383 1.971 -8.175 1.00 0.00 C ATOM 203 CG LEU A 15 6.594 2.235 -6.681 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.169 1.040 -5.830 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.069 2.516 -6.420 1.00 0.00 C ATOM 0 H LEU A 15 5.703 1.758 -10.465 1.00 0.00 H new ATOM 0 HA LEU A 15 4.601 0.747 -8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.999 1.125 -8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.726 2.836 -8.743 1.00 0.00 H new ATOM 0 HG LEU A 15 5.980 3.092 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.334 1.266 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.112 0.833 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.758 0.166 -6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.221 2.704 -5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.663 1.654 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.379 3.391 -6.991 1.00 0.00 H new ATOM 217 N THR A 16 3.727 3.810 -8.791 1.00 0.00 N ATOM 218 CA THR A 16 2.864 4.906 -8.373 1.00 0.00 C ATOM 219 C THR A 16 1.453 4.406 -8.069 1.00 0.00 C ATOM 220 O THR A 16 0.783 4.947 -7.194 1.00 0.00 O ATOM 221 CB THR A 16 2.831 5.962 -9.478 1.00 0.00 C ATOM 222 OG1 THR A 16 4.149 6.326 -9.820 1.00 0.00 O ATOM 223 CG2 THR A 16 2.086 7.216 -9.020 1.00 0.00 C ATOM 0 H THR A 16 4.093 3.905 -9.738 1.00 0.00 H new ATOM 0 HA THR A 16 3.262 5.345 -7.458 1.00 0.00 H new ATOM 0 HB THR A 16 2.314 5.535 -10.337 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.128 7.002 -10.530 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.078 7.950 -9.826 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.061 6.955 -8.758 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.587 7.639 -8.149 1.00 0.00 H new ATOM 231 N ALA A 17 0.990 3.372 -8.781 1.00 0.00 N ATOM 232 CA ALA A 17 -0.343 2.831 -8.558 1.00 0.00 C ATOM 233 C ALA A 17 -0.356 1.933 -7.323 1.00 0.00 C ATOM 234 O ALA A 17 -1.371 1.833 -6.639 1.00 0.00 O ATOM 235 CB ALA A 17 -0.775 2.055 -9.801 1.00 0.00 C ATOM 0 H ALA A 17 1.521 2.899 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.045 3.646 -8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.773 1.645 -9.645 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.788 2.724 -10.661 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.073 1.242 -9.984 1.00 0.00 H new ATOM 241 N CYS A 18 0.776 1.281 -7.031 1.00 0.00 N ATOM 242 CA CYS A 18 0.912 0.451 -5.848 1.00 0.00 C ATOM 243 C CYS A 18 1.034 1.337 -4.606 1.00 0.00 C ATOM 244 O CYS A 18 0.603 0.952 -3.524 1.00 0.00 O ATOM 245 CB CYS A 18 2.146 -0.433 -6.025 1.00 0.00 C ATOM 246 SG CYS A 18 2.603 -1.414 -4.570 1.00 0.00 S ATOM 0 H CYS A 18 1.614 1.319 -7.611 1.00 0.00 H new ATOM 0 HA CYS A 18 0.034 -0.182 -5.716 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.972 -1.111 -6.861 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.991 0.199 -6.298 1.00 0.00 H new ATOM 251 N ARG A 19 1.618 2.529 -4.765 1.00 0.00 N ATOM 252 CA ARG A 19 1.795 3.469 -3.667 1.00 0.00 C ATOM 253 C ARG A 19 0.493 4.188 -3.348 1.00 0.00 C ATOM 254 O ARG A 19 0.268 4.580 -2.207 1.00 0.00 O ATOM 255 CB ARG A 19 2.899 4.452 -4.056 1.00 0.00 C ATOM 256 CG ARG A 19 3.526 5.093 -2.817 1.00 0.00 C ATOM 257 CD ARG A 19 4.650 6.033 -3.252 1.00 0.00 C ATOM 258 NE ARG A 19 5.431 6.477 -2.095 1.00 0.00 N ATOM 259 CZ ARG A 19 6.222 7.555 -2.095 1.00 0.00 C ATOM 260 NH1 ARG A 19 6.340 8.324 -3.176 1.00 0.00 N ATOM 261 NH2 ARG A 19 6.905 7.870 -0.999 1.00 0.00 N ATOM 0 H ARG A 19 1.979 2.864 -5.659 1.00 0.00 H new ATOM 0 HA ARG A 19 2.084 2.936 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.667 3.933 -4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.489 5.228 -4.703 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.771 5.644 -2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.917 4.322 -2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.301 5.525 -3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.229 6.897 -3.766 1.00 0.00 H new ATOM 0 HE ARG A 19 5.367 5.930 -1.236 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.822 8.095 -4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.949 9.142 -3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.824 7.290 -0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.510 8.691 -0.993 1.00 0.00 H new ATOM 275 N ASN A 20 -0.365 4.356 -4.357 1.00 0.00 N ATOM 276 CA ASN A 20 -1.669 4.966 -4.165 1.00 0.00 C ATOM 277 C ASN A 20 -2.661 3.960 -3.581 1.00 0.00 C ATOM 278 O ASN A 20 -3.567 4.349 -2.845 1.00 0.00 O ATOM 279 CB ASN A 20 -2.177 5.506 -5.506 1.00 0.00 C ATOM 280 CG ASN A 20 -1.349 6.673 -6.029 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.537 7.254 -5.312 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.552 7.029 -7.294 1.00 0.00 N ATOM 0 H ASN A 20 -0.172 4.074 -5.318 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.575 5.789 -3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.168 4.702 -6.242 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.214 5.824 -5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.026 7.805 -7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.233 6.526 -7.862 1.00 0.00 H new ATOM 289 N HIS A 21 -2.499 2.672 -3.896 1.00 0.00 N ATOM 290 CA HIS A 21 -3.401 1.645 -3.392 1.00 0.00 C ATOM 291 C HIS A 21 -3.107 1.322 -1.929 1.00 0.00 C ATOM 292 O HIS A 21 -4.015 0.991 -1.168 1.00 0.00 O ATOM 293 CB HIS A 21 -3.255 0.393 -4.251 1.00 0.00 C ATOM 294 CG HIS A 21 -4.189 -0.710 -3.838 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.546 -0.756 -4.056 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.845 -1.856 -3.176 1.00 0.00 C ATOM 297 CE1 HIS A 21 -6.005 -1.906 -3.541 1.00 0.00 C ATOM 298 NE2 HIS A 21 -5.005 -2.619 -2.991 1.00 0.00 N ATOM 0 H HIS A 21 -1.753 2.321 -4.496 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.425 2.014 -3.447 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.442 0.650 -5.294 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.227 0.034 -4.190 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.851 -2.126 -2.852 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -7.039 -2.218 -3.565 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.077 -3.528 -2.534 1.00 0.00 H new ATOM 306 N CYS A 22 -1.836 1.416 -1.524 1.00 0.00 N ATOM 307 CA CYS A 22 -1.451 1.190 -0.140 1.00 0.00 C ATOM 308 C CYS A 22 -1.805 2.385 0.744 1.00 0.00 C ATOM 309 O CYS A 22 -2.047 2.202 1.934 1.00 0.00 O ATOM 310 CB CYS A 22 0.052 0.919 -0.071 1.00 0.00 C ATOM 311 SG CYS A 22 0.580 -0.664 -0.778 1.00 0.00 S ATOM 0 H CYS A 22 -1.059 1.648 -2.143 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.003 0.327 0.232 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.575 1.723 -0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.365 0.956 0.973 1.00 0.00 H new ATOM 316 N ARG A 23 -1.838 3.601 0.186 1.00 0.00 N ATOM 317 CA ARG A 23 -2.174 4.799 0.950 1.00 0.00 C ATOM 318 C ARG A 23 -3.681 5.015 1.029 1.00 0.00 C ATOM 319 O ARG A 23 -4.151 5.723 1.920 1.00 0.00 O ATOM 320 CB ARG A 23 -1.456 6.010 0.348 1.00 0.00 C ATOM 321 CG ARG A 23 0.024 5.973 0.728 1.00 0.00 C ATOM 322 CD ARG A 23 0.746 7.188 0.148 1.00 0.00 C ATOM 323 NE ARG A 23 2.089 7.320 0.723 1.00 0.00 N ATOM 324 CZ ARG A 23 3.013 8.176 0.281 1.00 0.00 C ATOM 325 NH1 ARG A 23 2.774 8.963 -0.760 1.00 0.00 N ATOM 326 NH2 ARG A 23 4.195 8.240 0.892 1.00 0.00 N ATOM 0 H ARG A 23 -1.634 3.777 -0.798 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.831 4.666 1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.563 6.006 -0.737 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.911 6.932 0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.129 5.962 1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.481 5.056 0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.817 7.091 -0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.169 8.090 0.350 1.00 0.00 H new ATOM 0 HE ARG A 23 2.332 6.719 1.511 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.873 8.920 -1.236 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.491 9.611 -1.085 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.389 7.637 1.692 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.906 8.892 0.560 1.00 0.00 H new ATOM 340 N SER A 24 -4.436 4.411 0.111 1.00 0.00 N ATOM 341 CA SER A 24 -5.888 4.401 0.179 1.00 0.00 C ATOM 342 C SER A 24 -6.341 3.123 0.874 1.00 0.00 C ATOM 343 O SER A 24 -5.549 2.194 1.041 1.00 0.00 O ATOM 344 CB SER A 24 -6.503 4.549 -1.213 1.00 0.00 C ATOM 345 OG SER A 24 -6.073 3.510 -2.063 1.00 0.00 O ATOM 0 H SER A 24 -4.055 3.918 -0.696 1.00 0.00 H new ATOM 0 HA SER A 24 -6.236 5.255 0.761 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.590 4.537 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.223 5.513 -1.639 1.00 0.00 H new ATOM 0 HG SER A 24 -5.164 3.699 -2.377 1.00 0.00 H new ATOM 351 N CYS A 25 -7.611 3.056 1.284 1.00 0.00 N ATOM 352 CA CYS A 25 -8.092 1.880 1.993 1.00 0.00 C ATOM 353 C CYS A 25 -8.313 0.724 1.025 1.00 0.00 C ATOM 354 O CYS A 25 -8.861 0.904 -0.062 1.00 0.00 O ATOM 355 CB CYS A 25 -9.346 2.228 2.787 1.00 0.00 C ATOM 356 SG CYS A 25 -9.105 3.649 3.884 1.00 0.00 S ATOM 0 H CYS A 25 -8.307 3.788 1.139 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.337 1.550 2.706 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -10.161 2.442 2.096 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.648 1.364 3.379 1.00 0.00 H new ATOM 361 N HIS A 26 -7.879 -0.472 1.433 1.00 0.00 N ATOM 362 CA HIS A 26 -7.939 -1.662 0.601 1.00 0.00 C ATOM 363 C HIS A 26 -8.231 -2.882 1.464 1.00 0.00 C ATOM 364 O HIS A 26 -8.205 -2.801 2.693 1.00 0.00 O ATOM 365 CB HIS A 26 -6.602 -1.802 -0.127 1.00 0.00 C ATOM 366 CG HIS A 26 -5.432 -1.729 0.819 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.603 -0.636 0.993 1.00 0.00 N ATOM 368 CD2 HIS A 26 -5.010 -2.714 1.664 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.697 -0.952 1.935 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.928 -2.208 2.360 1.00 0.00 N ATOM 0 H HIS A 26 -7.475 -0.635 2.355 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.741 -1.580 -0.133 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.578 -2.752 -0.660 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.513 -1.014 -0.875 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.667 0.252 0.495 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.439 -3.700 1.769 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.911 -0.303 2.293 1.00 0.00 H new ATOM 379 N ARG A 27 -8.509 -4.019 0.826 1.00 0.00 N ATOM 380 CA ARG A 27 -8.847 -5.241 1.536 1.00 0.00 C ATOM 381 C ARG A 27 -7.608 -5.883 2.164 1.00 0.00 C ATOM 382 O ARG A 27 -6.540 -5.892 1.552 1.00 0.00 O ATOM 383 CB ARG A 27 -9.530 -6.200 0.561 1.00 0.00 C ATOM 384 CG ARG A 27 -10.318 -7.309 1.266 1.00 0.00 C ATOM 385 CD ARG A 27 -11.458 -6.728 2.106 1.00 0.00 C ATOM 386 NE ARG A 27 -12.315 -5.847 1.301 1.00 0.00 N ATOM 387 CZ ARG A 27 -13.509 -6.182 0.805 1.00 0.00 C ATOM 388 NH1 ARG A 27 -14.041 -7.380 1.029 1.00 0.00 N ATOM 389 NH2 ARG A 27 -14.176 -5.295 0.071 1.00 0.00 N ATOM 0 H ARG A 27 -8.505 -4.113 -0.190 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.528 -5.006 2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.204 -5.636 -0.083 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.776 -6.651 -0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.723 -7.998 0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.649 -7.885 1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.055 -7.539 2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.046 -6.170 2.947 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.971 -4.907 1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.536 -8.066 1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.955 -7.613 0.640 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.774 -4.374 -0.106 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.089 -5.536 -0.315 1.00 0.00 H new ATOM 403 N GLY A 28 -7.758 -6.415 3.375 1.00 0.00 N ATOM 404 CA GLY A 28 -6.699 -7.111 4.093 1.00 0.00 C ATOM 405 C GLY A 28 -7.047 -8.585 4.277 1.00 0.00 C ATOM 406 O GLY A 28 -8.017 -9.078 3.698 1.00 0.00 O ATOM 0 H GLY A 28 -8.636 -6.372 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.761 -7.020 3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.546 -6.645 5.066 1.00 0.00 H new ATOM 410 N ASP A 29 -6.257 -9.295 5.084 1.00 0.00 N ATOM 411 CA ASP A 29 -6.452 -10.723 5.309 1.00 0.00 C ATOM 412 C ASP A 29 -7.487 -11.007 6.403 1.00 0.00 C ATOM 413 O ASP A 29 -7.953 -12.139 6.523 1.00 0.00 O ATOM 414 CB ASP A 29 -5.112 -11.359 5.675 1.00 0.00 C ATOM 415 CG ASP A 29 -4.106 -11.233 4.536 1.00 0.00 C ATOM 416 OD1 ASP A 29 -4.193 -12.053 3.595 1.00 0.00 O ATOM 417 OD2 ASP A 29 -3.257 -10.317 4.615 1.00 0.00 O ATOM 0 H ASP A 29 -5.470 -8.897 5.596 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.839 -11.158 4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.713 -10.881 6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.261 -12.412 5.916 1.00 0.00 H new ATOM 422 N VAL A 30 -7.844 -9.990 7.194 1.00 0.00 N ATOM 423 CA VAL A 30 -8.814 -10.131 8.278 1.00 0.00 C ATOM 424 C VAL A 30 -9.881 -9.034 8.211 1.00 0.00 C ATOM 425 O VAL A 30 -10.949 -9.165 8.804 1.00 0.00 O ATOM 426 CB VAL A 30 -8.065 -10.100 9.619 1.00 0.00 C ATOM 427 CG1 VAL A 30 -9.015 -10.309 10.795 1.00 0.00 C ATOM 428 CG2 VAL A 30 -7.006 -11.203 9.670 1.00 0.00 C ATOM 0 H VAL A 30 -7.467 -9.047 7.099 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.334 -11.084 8.178 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.598 -9.118 9.696 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.451 -10.281 11.728 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.766 -9.519 10.801 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.507 -11.277 10.697 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.486 -11.165 10.627 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.487 -12.175 9.557 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.289 -11.057 8.862 1.00 0.00 H new ATOM 438 N GLY A 31 -9.598 -7.948 7.487 1.00 0.00 N ATOM 439 CA GLY A 31 -10.506 -6.825 7.345 1.00 0.00 C ATOM 440 C GLY A 31 -9.841 -5.714 6.539 1.00 0.00 C ATOM 441 O GLY A 31 -8.674 -5.836 6.171 1.00 0.00 O ATOM 0 H GLY A 31 -8.721 -7.830 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.421 -7.148 6.849 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.791 -6.451 8.328 1.00 0.00 H new ATOM 445 N CYS A 32 -10.569 -4.631 6.261 1.00 0.00 N ATOM 446 CA CYS A 32 -10.016 -3.530 5.488 1.00 0.00 C ATOM 447 C CYS A 32 -9.050 -2.693 6.318 1.00 0.00 C ATOM 448 O CYS A 32 -9.250 -2.499 7.519 1.00 0.00 O ATOM 449 CB CYS A 32 -11.132 -2.681 4.888 1.00 0.00 C ATOM 450 SG CYS A 32 -12.064 -3.552 3.609 1.00 0.00 S ATOM 0 H CYS A 32 -11.535 -4.498 6.559 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.439 -3.951 4.664 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.813 -2.372 5.681 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.703 -1.773 4.464 1.00 0.00 H new ATOM 455 N VAL A 33 -7.998 -2.204 5.656 1.00 0.00 N ATOM 456 CA VAL A 33 -6.934 -1.417 6.271 1.00 0.00 C ATOM 457 C VAL A 33 -6.364 -0.414 5.269 1.00 0.00 C ATOM 458 O VAL A 33 -6.693 -0.455 4.084 1.00 0.00 O ATOM 459 CB VAL A 33 -5.801 -2.335 6.755 1.00 0.00 C ATOM 460 CG1 VAL A 33 -6.276 -3.267 7.864 1.00 0.00 C ATOM 461 CG2 VAL A 33 -5.239 -3.177 5.610 1.00 0.00 C ATOM 0 H VAL A 33 -7.862 -2.349 4.656 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.359 -0.882 7.120 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.017 -1.685 7.143 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.450 -3.903 8.184 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.628 -2.676 8.710 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.090 -3.889 7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.439 -3.815 5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.032 -3.797 5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.845 -2.520 4.835 1.00 0.00 H new ATOM 471 N ARG A 34 -5.503 0.484 5.751 1.00 0.00 N ATOM 472 CA ARG A 34 -4.752 1.405 4.904 1.00 0.00 C ATOM 473 C ARG A 34 -3.348 1.549 5.484 1.00 0.00 C ATOM 474 O ARG A 34 -3.169 1.375 6.685 1.00 0.00 O ATOM 475 CB ARG A 34 -5.476 2.749 4.808 1.00 0.00 C ATOM 476 CG ARG A 34 -5.462 3.515 6.137 1.00 0.00 C ATOM 477 CD ARG A 34 -6.258 4.811 6.009 1.00 0.00 C ATOM 478 NE ARG A 34 -5.778 5.627 4.888 1.00 0.00 N ATOM 479 CZ ARG A 34 -6.211 6.855 4.606 1.00 0.00 C ATOM 480 NH1 ARG A 34 -7.132 7.450 5.362 1.00 0.00 N ATOM 481 NH2 ARG A 34 -5.718 7.499 3.553 1.00 0.00 N ATOM 0 H ARG A 34 -5.308 0.591 6.746 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.675 1.018 3.888 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.006 3.358 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.508 2.582 4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.887 2.895 6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.435 3.738 6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.313 4.579 5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.180 5.381 6.935 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.062 5.226 4.282 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.518 6.965 6.172 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.452 8.391 5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.013 7.053 2.967 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.045 8.439 3.331 1.00 0.00 H new ATOM 495 N CYS A 35 -2.358 1.863 4.650 1.00 0.00 N ATOM 496 CA CYS A 35 -0.961 1.914 5.067 1.00 0.00 C ATOM 497 C CYS A 35 -0.337 3.281 4.772 1.00 0.00 C ATOM 498 O CYS A 35 -1.018 4.204 4.326 1.00 0.00 O ATOM 499 CB CYS A 35 -0.187 0.806 4.359 1.00 0.00 C ATOM 500 SG CYS A 35 -0.817 -0.885 4.562 1.00 0.00 S ATOM 0 H CYS A 35 -2.504 2.089 3.666 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.912 1.764 6.145 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.163 1.035 3.294 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.843 0.830 4.714 1.00 0.00 H new ATOM 505 N SER A 36 0.970 3.406 5.025 1.00 0.00 N ATOM 506 CA SER A 36 1.686 4.668 4.920 1.00 0.00 C ATOM 507 C SER A 36 2.548 4.781 3.664 1.00 0.00 C ATOM 508 O SER A 36 2.752 5.886 3.166 1.00 0.00 O ATOM 509 CB SER A 36 2.567 4.805 6.159 1.00 0.00 C ATOM 510 OG SER A 36 1.765 4.895 7.315 1.00 0.00 O ATOM 0 H SER A 36 1.559 2.624 5.310 1.00 0.00 H new ATOM 0 HA SER A 36 0.948 5.467 4.850 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.235 3.947 6.236 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.195 5.692 6.072 1.00 0.00 H new ATOM 0 HG SER A 36 2.286 5.291 8.044 1.00 0.00 H new ATOM 516 N ASN A 37 3.059 3.663 3.140 1.00 0.00 N ATOM 517 CA ASN A 37 3.916 3.678 1.959 1.00 0.00 C ATOM 518 C ASN A 37 3.854 2.318 1.257 1.00 0.00 C ATOM 519 O ASN A 37 3.110 1.437 1.691 1.00 0.00 O ATOM 520 CB ASN A 37 5.344 4.036 2.396 1.00 0.00 C ATOM 521 CG ASN A 37 6.233 4.459 1.232 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.749 4.748 0.142 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.542 4.499 1.458 1.00 0.00 N ATOM 0 H ASN A 37 2.890 2.732 3.521 1.00 0.00 H new ATOM 0 HA ASN A 37 3.576 4.427 1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.303 4.843 3.127 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.792 3.177 2.895 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.180 4.777 0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.909 4.252 2.377 1.00 0.00 H new ATOM 530 N ALA A 38 4.622 2.136 0.178 1.00 0.00 N ATOM 531 CA ALA A 38 4.606 0.908 -0.597 1.00 0.00 C ATOM 532 C ALA A 38 5.931 0.680 -1.327 1.00 0.00 C ATOM 533 O ALA A 38 6.789 1.560 -1.383 1.00 0.00 O ATOM 534 CB ALA A 38 3.480 0.996 -1.622 1.00 0.00 C ATOM 0 H ALA A 38 5.269 2.840 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 38 4.452 0.072 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.454 0.081 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.528 1.122 -1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.652 1.848 -2.280 1.00 0.00 H new ATOM 540 N GLN A 39 6.078 -0.519 -1.892 1.00 0.00 N ATOM 541 CA GLN A 39 7.199 -0.897 -2.736 1.00 0.00 C ATOM 542 C GLN A 39 6.746 -1.984 -3.708 1.00 0.00 C ATOM 543 O GLN A 39 5.688 -2.588 -3.526 1.00 0.00 O ATOM 544 CB GLN A 39 8.369 -1.392 -1.882 1.00 0.00 C ATOM 545 CG GLN A 39 7.992 -2.642 -1.083 1.00 0.00 C ATOM 546 CD GLN A 39 9.212 -3.238 -0.388 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.675 -4.317 -0.747 1.00 0.00 O ATOM 548 NE2 GLN A 39 9.752 -2.545 0.614 1.00 0.00 N ATOM 0 H GLN A 39 5.399 -1.270 -1.768 1.00 0.00 H new ATOM 0 HA GLN A 39 7.540 -0.028 -3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.221 -1.613 -2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.681 -0.603 -1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.235 -2.389 -0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.550 -3.384 -1.749 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.347 -1.651 0.892 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.570 -2.909 1.103 1.00 0.00 H new ATOM 557 N CYS A 40 7.549 -2.243 -4.742 1.00 0.00 N ATOM 558 CA CYS A 40 7.253 -3.291 -5.702 1.00 0.00 C ATOM 559 C CYS A 40 8.211 -4.462 -5.505 1.00 0.00 C ATOM 560 O CYS A 40 9.396 -4.269 -5.230 1.00 0.00 O ATOM 561 CB CYS A 40 7.288 -2.731 -7.125 1.00 0.00 C ATOM 562 SG CYS A 40 7.226 -4.001 -8.418 1.00 0.00 S ATOM 0 H CYS A 40 8.413 -1.734 -4.930 1.00 0.00 H new ATOM 0 HA CYS A 40 6.244 -3.669 -5.537 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.447 -2.050 -7.258 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.197 -2.143 -7.251 1.00 0.00 H new ATOM 567 N THR A 41 7.682 -5.677 -5.650 1.00 0.00 N ATOM 568 CA THR A 41 8.426 -6.914 -5.453 1.00 0.00 C ATOM 569 C THR A 41 8.219 -7.860 -6.636 1.00 0.00 C ATOM 570 O THR A 41 7.501 -7.534 -7.583 1.00 0.00 O ATOM 571 CB THR A 41 7.985 -7.572 -4.140 1.00 0.00 C ATOM 572 OG1 THR A 41 6.596 -7.822 -4.166 1.00 0.00 O ATOM 573 CG2 THR A 41 8.300 -6.669 -2.947 1.00 0.00 C ATOM 0 H THR A 41 6.708 -5.828 -5.912 1.00 0.00 H new ATOM 0 HA THR A 41 9.490 -6.687 -5.393 1.00 0.00 H new ATOM 0 HB THR A 41 8.531 -8.510 -4.035 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.178 -7.427 -3.373 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.978 -7.157 -2.027 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.373 -6.484 -2.904 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.773 -5.721 -3.059 1.00 0.00 H new ATOM 581 N GLY A 42 8.854 -9.036 -6.585 1.00 0.00 N ATOM 582 CA GLY A 42 8.784 -10.024 -7.651 1.00 0.00 C ATOM 583 C GLY A 42 9.847 -9.766 -8.717 1.00 0.00 C ATOM 584 O GLY A 42 10.488 -8.713 -8.728 1.00 0.00 O ATOM 0 H GLY A 42 9.432 -9.324 -5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.919 -11.022 -7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.795 -10.000 -8.108 1.00 0.00 H new ATOM 588 N PHE A 43 10.038 -10.731 -9.620 1.00 0.00 N ATOM 589 CA PHE A 43 11.054 -10.641 -10.659 1.00 0.00 C ATOM 590 C PHE A 43 10.721 -9.509 -11.629 1.00 0.00 C ATOM 591 O PHE A 43 9.589 -9.405 -12.098 1.00 0.00 O ATOM 592 CB PHE A 43 11.155 -11.983 -11.378 1.00 0.00 C ATOM 593 CG PHE A 43 12.212 -12.030 -12.459 1.00 0.00 C ATOM 594 CD1 PHE A 43 13.559 -11.817 -12.133 1.00 0.00 C ATOM 595 CD2 PHE A 43 11.844 -12.289 -13.789 1.00 0.00 C ATOM 596 CE1 PHE A 43 14.540 -11.867 -13.134 1.00 0.00 C ATOM 597 CE2 PHE A 43 12.825 -12.340 -14.789 1.00 0.00 C ATOM 598 CZ PHE A 43 14.172 -12.128 -14.463 1.00 0.00 C ATOM 0 H PHE A 43 9.492 -11.592 -9.647 1.00 0.00 H new ATOM 0 HA PHE A 43 12.022 -10.413 -10.212 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.367 -12.760 -10.644 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.187 -12.219 -11.821 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.841 -11.614 -11.110 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.806 -12.449 -14.041 1.00 0.00 H new ATOM 0 HE1 PHE A 43 15.578 -11.705 -12.882 1.00 0.00 H new ATOM 0 HE2 PHE A 43 12.543 -12.543 -15.812 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.927 -12.166 -15.235 1.00 0.00 H new ATOM 608 N LEU A 44 11.721 -8.669 -11.924 1.00 0.00 N ATOM 609 CA LEU A 44 11.580 -7.478 -12.756 1.00 0.00 C ATOM 610 C LEU A 44 10.446 -6.560 -12.289 1.00 0.00 C ATOM 611 O LEU A 44 10.029 -5.667 -13.030 1.00 0.00 O ATOM 612 CB LEU A 44 11.445 -7.868 -14.236 1.00 0.00 C ATOM 613 CG LEU A 44 12.621 -8.717 -14.733 1.00 0.00 C ATOM 614 CD1 LEU A 44 12.373 -9.098 -16.191 1.00 0.00 C ATOM 615 CD2 LEU A 44 13.939 -7.947 -14.646 1.00 0.00 C ATOM 0 H LEU A 44 12.671 -8.806 -11.580 1.00 0.00 H new ATOM 0 HA LEU A 44 12.492 -6.891 -12.646 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.517 -8.421 -14.379 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.373 -6.964 -14.841 1.00 0.00 H new ATOM 0 HG LEU A 44 12.695 -9.604 -14.103 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.204 -9.702 -16.555 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.448 -9.670 -16.265 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.290 -8.194 -16.794 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.753 -8.577 -15.006 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.877 -7.049 -15.260 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.128 -7.666 -13.610 1.00 0.00 H new ATOM 627 N GLY A 45 9.946 -6.770 -11.066 1.00 0.00 N ATOM 628 CA GLY A 45 8.852 -6.004 -10.493 1.00 0.00 C ATOM 629 C GLY A 45 7.516 -6.364 -11.141 1.00 0.00 C ATOM 630 O GLY A 45 7.217 -5.917 -12.248 1.00 0.00 O ATOM 0 H GLY A 45 10.303 -7.493 -10.441 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.799 -6.190 -9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.045 -4.939 -10.623 1.00 0.00 H new ATOM 634 N THR A 46 6.715 -7.174 -10.447 1.00 0.00 N ATOM 635 CA THR A 46 5.406 -7.606 -10.936 1.00 0.00 C ATOM 636 C THR A 46 4.399 -7.740 -9.798 1.00 0.00 C ATOM 637 O THR A 46 3.272 -8.180 -10.019 1.00 0.00 O ATOM 638 CB THR A 46 5.521 -8.942 -11.676 1.00 0.00 C ATOM 639 OG1 THR A 46 6.196 -9.890 -10.878 1.00 0.00 O ATOM 640 CG2 THR A 46 6.266 -8.776 -12.999 1.00 0.00 C ATOM 0 H THR A 46 6.956 -7.549 -9.530 1.00 0.00 H new ATOM 0 HA THR A 46 5.049 -6.840 -11.624 1.00 0.00 H new ATOM 0 HB THR A 46 4.510 -9.293 -11.883 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.261 -10.739 -11.363 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.333 -9.740 -13.503 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.728 -8.072 -13.634 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.270 -8.397 -12.806 1.00 0.00 H new ATOM 648 N THR A 47 4.789 -7.365 -8.578 1.00 0.00 N ATOM 649 CA THR A 47 3.948 -7.528 -7.401 1.00 0.00 C ATOM 650 C THR A 47 3.954 -6.249 -6.567 1.00 0.00 C ATOM 651 O THR A 47 4.927 -5.493 -6.592 1.00 0.00 O ATOM 652 CB THR A 47 4.441 -8.731 -6.591 1.00 0.00 C ATOM 653 OG1 THR A 47 4.471 -9.877 -7.416 1.00 0.00 O ATOM 654 CG2 THR A 47 3.520 -9.019 -5.409 1.00 0.00 C ATOM 0 H THR A 47 5.696 -6.941 -8.383 1.00 0.00 H new ATOM 0 HA THR A 47 2.918 -7.715 -7.705 1.00 0.00 H new ATOM 0 HB THR A 47 5.438 -8.494 -6.218 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.788 -10.645 -6.897 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.897 -9.878 -4.855 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.488 -8.149 -4.753 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.516 -9.235 -5.774 1.00 0.00 H new ATOM 662 N CYS A 48 2.872 -6.004 -5.827 1.00 0.00 N ATOM 663 CA CYS A 48 2.734 -4.825 -4.983 1.00 0.00 C ATOM 664 C CYS A 48 2.771 -5.222 -3.510 1.00 0.00 C ATOM 665 O CYS A 48 2.167 -6.223 -3.120 1.00 0.00 O ATOM 666 CB CYS A 48 1.430 -4.105 -5.345 1.00 0.00 C ATOM 667 SG CYS A 48 1.035 -2.679 -4.298 1.00 0.00 S ATOM 0 H CYS A 48 2.063 -6.625 -5.799 1.00 0.00 H new ATOM 0 HA CYS A 48 3.567 -4.142 -5.153 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.491 -3.772 -6.381 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.609 -4.819 -5.287 1.00 0.00 H new ATOM 672 N THR A 49 3.479 -4.437 -2.693 1.00 0.00 N ATOM 673 CA THR A 49 3.584 -4.673 -1.258 1.00 0.00 C ATOM 674 C THR A 49 3.505 -3.342 -0.515 1.00 0.00 C ATOM 675 O THR A 49 4.061 -2.344 -0.968 1.00 0.00 O ATOM 676 CB THR A 49 4.902 -5.392 -0.957 1.00 0.00 C ATOM 677 OG1 THR A 49 4.923 -6.652 -1.595 1.00 0.00 O ATOM 678 CG2 THR A 49 5.080 -5.622 0.542 1.00 0.00 C ATOM 0 H THR A 49 3.996 -3.618 -3.014 1.00 0.00 H new ATOM 0 HA THR A 49 2.761 -5.303 -0.922 1.00 0.00 H new ATOM 0 HB THR A 49 5.709 -4.758 -1.326 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.770 -7.104 -1.398 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.025 -6.134 0.722 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.083 -4.663 1.059 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.259 -6.233 0.916 1.00 0.00 H new ATOM 686 N CYS A 50 2.816 -3.322 0.631 1.00 0.00 N ATOM 687 CA CYS A 50 2.638 -2.106 1.413 1.00 0.00 C ATOM 688 C CYS A 50 3.619 -2.059 2.587 1.00 0.00 C ATOM 689 O CYS A 50 4.213 -3.075 2.946 1.00 0.00 O ATOM 690 CB CYS A 50 1.191 -2.001 1.893 1.00 0.00 C ATOM 691 SG CYS A 50 -0.056 -2.054 0.575 1.00 0.00 S ATOM 0 H CYS A 50 2.371 -4.146 1.036 1.00 0.00 H new ATOM 0 HA CYS A 50 2.853 -1.247 0.777 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.995 -2.814 2.592 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.074 -1.070 2.447 1.00 0.00 H new ATOM 696 N ILE A 51 3.785 -0.872 3.177 1.00 0.00 N ATOM 697 CA ILE A 51 4.718 -0.627 4.270 1.00 0.00 C ATOM 698 C ILE A 51 3.962 -0.258 5.544 1.00 0.00 C ATOM 699 O ILE A 51 2.947 0.431 5.482 1.00 0.00 O ATOM 700 CB ILE A 51 5.673 0.500 3.863 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.426 0.181 2.562 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.677 0.809 4.974 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.334 -1.043 2.676 1.00 0.00 C ATOM 0 H ILE A 51 3.262 -0.041 2.900 1.00 0.00 H new ATOM 0 HA ILE A 51 5.291 -1.532 4.472 1.00 0.00 H new ATOM 0 HB ILE A 51 5.052 1.379 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.703 0.016 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.026 1.045 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.339 1.613 4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.142 1.117 5.872 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.266 -0.082 5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.836 -1.213 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.079 -0.872 3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.736 -1.917 2.932 1.00 0.00 H new ATOM 715 N ASN A 52 4.457 -0.719 6.695 1.00 0.00 N ATOM 716 CA ASN A 52 3.830 -0.466 7.984 1.00 0.00 C ATOM 717 C ASN A 52 4.045 0.986 8.427 1.00 0.00 C ATOM 718 O ASN A 52 4.992 1.631 7.979 1.00 0.00 O ATOM 719 CB ASN A 52 4.409 -1.445 9.011 1.00 0.00 C ATOM 720 CG ASN A 52 4.053 -2.896 8.703 1.00 0.00 C ATOM 721 OD1 ASN A 52 3.253 -3.183 7.819 1.00 0.00 O ATOM 722 ND2 ASN A 52 4.654 -3.822 9.442 1.00 0.00 N ATOM 0 H ASN A 52 5.307 -1.280 6.754 1.00 0.00 H new ATOM 0 HA ASN A 52 2.754 -0.618 7.901 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.493 -1.339 9.038 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.039 -1.186 10.003 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.455 -4.810 9.283 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.314 -3.545 10.169 1.00 0.00 H new ATOM 729 N PRO A 53 3.182 1.514 9.309 1.00 0.00 N ATOM 730 CA PRO A 53 2.014 0.852 9.869 1.00 0.00 C ATOM 731 C PRO A 53 0.885 0.743 8.845 1.00 0.00 C ATOM 732 O PRO A 53 0.891 1.423 7.821 1.00 0.00 O ATOM 733 CB PRO A 53 1.597 1.726 11.052 1.00 0.00 C ATOM 734 CG PRO A 53 2.005 3.125 10.595 1.00 0.00 C ATOM 735 CD PRO A 53 3.308 2.859 9.838 1.00 0.00 C ATOM 0 HA PRO A 53 2.237 -0.171 10.170 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.527 1.660 11.247 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.107 1.435 11.970 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.249 3.579 9.955 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.156 3.799 11.438 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.451 3.584 9.037 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.170 2.941 10.500 1.00 0.00 H new ATOM 743 N CYS A 54 -0.086 -0.125 9.142 1.00 0.00 N ATOM 744 CA CYS A 54 -1.264 -0.340 8.322 1.00 0.00 C ATOM 745 C CYS A 54 -2.515 -0.379 9.206 1.00 0.00 C ATOM 746 O CYS A 54 -3.110 -1.440 9.385 1.00 0.00 O ATOM 747 CB CYS A 54 -1.117 -1.637 7.522 1.00 0.00 C ATOM 748 SG CYS A 54 0.136 -1.630 6.211 1.00 0.00 S ATOM 0 H CYS A 54 -0.067 -0.707 9.980 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.368 0.485 7.617 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.882 -2.443 8.217 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.082 -1.874 7.073 1.00 0.00 H new ATOM 753 N PRO A 55 -2.921 0.770 9.766 1.00 0.00 N ATOM 754 CA PRO A 55 -4.078 0.891 10.640 1.00 0.00 C ATOM 755 C PRO A 55 -5.387 0.578 9.907 1.00 0.00 C ATOM 756 O PRO A 55 -5.428 0.492 8.680 1.00 0.00 O ATOM 757 CB PRO A 55 -4.058 2.337 11.137 1.00 0.00 C ATOM 758 CG PRO A 55 -3.341 3.075 10.008 1.00 0.00 C ATOM 759 CD PRO A 55 -2.282 2.060 9.595 1.00 0.00 C ATOM 0 HA PRO A 55 -4.028 0.175 11.460 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.065 2.723 11.297 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.526 2.432 12.084 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.015 3.320 9.187 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.899 4.012 10.348 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.969 2.213 8.562 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.389 2.145 10.215 1.00 0.00 H new ATOM 767 N ARG A 56 -6.465 0.405 10.678 1.00 0.00 N ATOM 768 CA ARG A 56 -7.781 0.069 10.149 1.00 0.00 C ATOM 769 C ARG A 56 -8.388 1.235 9.373 1.00 0.00 C ATOM 770 O ARG A 56 -7.951 2.379 9.495 1.00 0.00 O ATOM 771 CB ARG A 56 -8.726 -0.322 11.292 1.00 0.00 C ATOM 772 CG ARG A 56 -8.243 -1.525 12.107 1.00 0.00 C ATOM 773 CD ARG A 56 -7.944 -2.746 11.238 1.00 0.00 C ATOM 774 NE ARG A 56 -9.066 -3.065 10.343 1.00 0.00 N ATOM 775 CZ ARG A 56 -10.160 -3.737 10.708 1.00 0.00 C ATOM 776 NH1 ARG A 56 -10.297 -4.203 11.949 1.00 0.00 N ATOM 777 NH2 ARG A 56 -11.131 -3.946 9.822 1.00 0.00 N ATOM 0 H ARG A 56 -6.444 0.496 11.694 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.655 -0.772 9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.848 0.532 11.959 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.709 -0.546 10.878 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.344 -1.248 12.658 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.001 -1.787 12.845 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.048 -2.561 10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.733 -3.604 11.876 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.004 -2.751 9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.559 -4.048 12.636 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.139 -4.715 12.212 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.037 -3.593 8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.969 -4.459 10.095 1.00 0.00 H new ATOM 791 N CYS A 57 -9.407 0.920 8.572 1.00 0.00 N ATOM 792 CA CYS A 57 -10.181 1.897 7.815 1.00 0.00 C ATOM 793 C CYS A 57 -11.599 1.373 7.606 1.00 0.00 C ATOM 794 O CYS A 57 -11.730 0.249 7.070 1.00 0.00 O ATOM 795 CB CYS A 57 -9.491 2.178 6.480 1.00 0.00 C ATOM 796 SG CYS A 57 -10.400 3.329 5.417 1.00 0.00 S ATOM 797 OXT CYS A 57 -12.543 2.101 7.987 1.00 0.00 O ATOM 0 H CYS A 57 -9.721 -0.040 8.431 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.241 2.834 8.369 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.498 2.583 6.673 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.353 1.237 5.947 1.00 0.00 H new TER 802 CYS A 57