USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=12 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 41 THR OG1 : rot -144:sc= 0.212 USER MOD Set 1.2: A 49 THR OG1 : rot -170:sc= 0.201 USER MOD Single : A 1 PCA N :NH3+ 180:sc= -0.105 (180deg=-0.105) USER MOD Single : A 2 ASN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00285 USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00623 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= -0.052 K(o=-0.052,f=-1) USER MOD Single : A 21 HIS : no HE2:sc= -0.643 X(o=-0.64,f=-0.77) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 26 HIS : no HE2:sc= 0.0418 K(o=0.042,f=-2.4!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0503 K(o=-0.05,f=-6.2!) USER MOD Single : A 39 GLN : amide:sc= -0.387 X(o=-0.39,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00538 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -17.248 -0.639 -1.708 1.00 0.00 N HETATM 2 CA PCA A 1 -16.878 -1.189 -0.418 1.00 0.00 C HETATM 3 CB PCA A 1 -16.167 -2.501 -0.790 1.00 0.00 C HETATM 4 CG PCA A 1 -15.534 -2.149 -2.141 1.00 0.00 C HETATM 5 CD PCA A 1 -16.496 -1.111 -2.693 1.00 0.00 C HETATM 6 OE PCA A 1 -16.548 -0.778 -3.876 1.00 0.00 O HETATM 7 C PCA A 1 -15.935 -0.255 0.342 1.00 0.00 C HETATM 8 O PCA A 1 -15.557 -0.552 1.470 1.00 0.00 O HETATM 0 H2 PCA A 1 -17.888 -1.298 -2.196 1.00 0.00 H new HETATM 0 HA PCA A 1 -17.734 -1.331 0.241 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -15.418 -2.783 -0.050 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -16.865 -3.334 -0.871 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -14.527 -1.748 -2.025 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -15.458 -3.019 -2.793 1.00 0.00 H new ATOM 14 N ASN A 2 -15.565 0.870 -0.282 1.00 0.00 N ATOM 15 CA ASN A 2 -14.602 1.836 0.237 1.00 0.00 C ATOM 16 C ASN A 2 -13.218 1.227 0.493 1.00 0.00 C ATOM 17 O ASN A 2 -12.314 1.928 0.944 1.00 0.00 O ATOM 18 CB ASN A 2 -15.165 2.555 1.474 1.00 0.00 C ATOM 19 CG ASN A 2 -16.495 3.239 1.184 1.00 0.00 C ATOM 20 OD1 ASN A 2 -16.546 4.450 0.966 1.00 0.00 O ATOM 21 ND2 ASN A 2 -17.584 2.477 1.180 1.00 0.00 N ATOM 0 H ASN A 2 -15.943 1.137 -1.191 1.00 0.00 H new ATOM 0 HA ASN A 2 -14.446 2.583 -0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -15.297 1.836 2.282 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -14.445 3.296 1.821 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -18.496 2.892 0.992 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -17.507 1.477 1.364 1.00 0.00 H new ATOM 28 N CYS A 3 -13.045 -0.068 0.209 1.00 0.00 N ATOM 29 CA CYS A 3 -11.766 -0.748 0.311 1.00 0.00 C ATOM 30 C CYS A 3 -11.702 -1.926 -0.667 1.00 0.00 C ATOM 31 O CYS A 3 -11.797 -3.084 -0.260 1.00 0.00 O ATOM 32 CB CYS A 3 -11.525 -1.200 1.753 1.00 0.00 C ATOM 33 SG CYS A 3 -12.835 -2.198 2.511 1.00 0.00 S ATOM 0 H CYS A 3 -13.804 -0.674 -0.102 1.00 0.00 H new ATOM 0 HA CYS A 3 -10.971 -0.053 0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.598 -1.773 1.782 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.371 -0.314 2.368 1.00 0.00 H new ATOM 38 N PRO A 4 -11.547 -1.635 -1.964 1.00 0.00 N ATOM 39 CA PRO A 4 -11.508 -2.630 -3.025 1.00 0.00 C ATOM 40 C PRO A 4 -10.188 -3.398 -3.018 1.00 0.00 C ATOM 41 O PRO A 4 -9.273 -3.072 -2.259 1.00 0.00 O ATOM 42 CB PRO A 4 -11.665 -1.824 -4.314 1.00 0.00 C ATOM 43 CG PRO A 4 -10.987 -0.503 -3.966 1.00 0.00 C ATOM 44 CD PRO A 4 -11.381 -0.301 -2.507 1.00 0.00 C ATOM 0 HA PRO A 4 -12.288 -3.382 -2.909 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -11.185 -2.315 -5.160 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.713 -1.684 -4.579 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.905 -0.558 -4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.340 0.312 -4.598 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.613 0.251 -1.965 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.303 0.274 -2.425 1.00 0.00 H new ATOM 52 N THR A 5 -10.093 -4.423 -3.874 1.00 0.00 N ATOM 53 CA THR A 5 -8.892 -5.240 -4.001 1.00 0.00 C ATOM 54 C THR A 5 -8.237 -4.991 -5.354 1.00 0.00 C ATOM 55 O THR A 5 -8.895 -5.108 -6.385 1.00 0.00 O ATOM 56 CB THR A 5 -9.248 -6.722 -3.852 1.00 0.00 C ATOM 57 OG1 THR A 5 -10.027 -6.916 -2.696 1.00 0.00 O ATOM 58 CG2 THR A 5 -7.983 -7.571 -3.733 1.00 0.00 C ATOM 0 H THR A 5 -10.850 -4.705 -4.496 1.00 0.00 H new ATOM 0 HA THR A 5 -8.190 -4.967 -3.213 1.00 0.00 H new ATOM 0 HB THR A 5 -9.807 -7.025 -4.737 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.252 -7.866 -2.609 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.258 -8.621 -3.628 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.374 -7.443 -4.628 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.414 -7.256 -2.858 1.00 0.00 H new ATOM 66 N ARG A 6 -6.943 -4.653 -5.357 1.00 0.00 N ATOM 67 CA ARG A 6 -6.170 -4.457 -6.577 1.00 0.00 C ATOM 68 C ARG A 6 -4.783 -5.058 -6.374 1.00 0.00 C ATOM 69 O ARG A 6 -4.168 -4.845 -5.330 1.00 0.00 O ATOM 70 CB ARG A 6 -6.047 -2.966 -6.899 1.00 0.00 C ATOM 71 CG ARG A 6 -7.391 -2.301 -7.206 1.00 0.00 C ATOM 72 CD ARG A 6 -7.993 -2.837 -8.501 1.00 0.00 C ATOM 73 NE ARG A 6 -9.197 -2.085 -8.879 1.00 0.00 N ATOM 74 CZ ARG A 6 -10.449 -2.444 -8.568 1.00 0.00 C ATOM 75 NH1 ARG A 6 -10.695 -3.543 -7.857 1.00 0.00 N ATOM 76 NH2 ARG A 6 -11.470 -1.694 -8.976 1.00 0.00 N ATOM 0 H ARG A 6 -6.403 -4.508 -4.504 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.674 -4.946 -7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.581 -2.456 -6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.383 -2.839 -7.754 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.082 -2.476 -6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.256 -1.222 -7.285 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.256 -2.774 -9.301 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.243 -3.891 -8.380 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.070 -1.228 -9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.922 -4.128 -7.539 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.656 -3.799 -7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.297 -0.851 -9.523 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.426 -1.963 -8.742 1.00 0.00 H new ATOM 90 N ARG A 7 -4.290 -5.801 -7.368 1.00 0.00 N ATOM 91 CA ARG A 7 -2.997 -6.473 -7.311 1.00 0.00 C ATOM 92 C ARG A 7 -2.306 -6.361 -8.668 1.00 0.00 C ATOM 93 O ARG A 7 -2.961 -6.079 -9.671 1.00 0.00 O ATOM 94 CB ARG A 7 -3.199 -7.944 -6.939 1.00 0.00 C ATOM 95 CG ARG A 7 -3.787 -8.119 -5.536 1.00 0.00 C ATOM 96 CD ARG A 7 -2.841 -7.578 -4.456 1.00 0.00 C ATOM 97 NE ARG A 7 -3.361 -7.867 -3.115 1.00 0.00 N ATOM 98 CZ ARG A 7 -4.049 -7.016 -2.344 1.00 0.00 C ATOM 99 NH1 ARG A 7 -4.319 -5.779 -2.753 1.00 0.00 N ATOM 100 NH2 ARG A 7 -4.473 -7.405 -1.146 1.00 0.00 N ATOM 0 H ARG A 7 -4.787 -5.952 -8.245 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.371 -6.001 -6.554 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.861 -8.412 -7.668 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.243 -8.464 -6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.744 -7.601 -5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.984 -9.175 -5.352 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.854 -8.026 -4.573 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.719 -6.502 -4.579 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.183 -8.798 -2.737 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.000 -5.464 -3.669 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.845 -5.146 -2.150 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.274 -8.350 -0.816 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.997 -6.759 -0.556 1.00 0.00 H new ATOM 114 N GLY A 8 -0.988 -6.581 -8.705 1.00 0.00 N ATOM 115 CA GLY A 8 -0.221 -6.519 -9.943 1.00 0.00 C ATOM 116 C GLY A 8 -0.035 -5.084 -10.444 1.00 0.00 C ATOM 117 O GLY A 8 0.333 -4.879 -11.599 1.00 0.00 O ATOM 0 H GLY A 8 -0.430 -6.805 -7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.756 -6.975 -9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.726 -7.106 -10.710 1.00 0.00 H new ATOM 121 N LEU A 9 -0.287 -4.090 -9.587 1.00 0.00 N ATOM 122 CA LEU A 9 -0.197 -2.681 -9.951 1.00 0.00 C ATOM 123 C LEU A 9 1.209 -2.307 -10.417 1.00 0.00 C ATOM 124 O LEU A 9 1.373 -1.332 -11.146 1.00 0.00 O ATOM 125 CB LEU A 9 -0.596 -1.848 -8.726 1.00 0.00 C ATOM 126 CG LEU A 9 -2.085 -1.993 -8.396 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.366 -1.378 -7.029 1.00 0.00 C ATOM 128 CD2 LEU A 9 -2.941 -1.265 -9.429 1.00 0.00 C ATOM 0 H LEU A 9 -0.560 -4.246 -8.617 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.869 -2.480 -10.785 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.002 -2.159 -7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.366 -0.799 -8.910 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.332 -3.055 -8.401 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.425 -1.481 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.775 -1.891 -6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.099 -0.321 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.995 -1.381 -9.175 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.683 -0.206 -9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.757 -1.687 -10.417 1.00 0.00 H new ATOM 140 N CYS A 10 2.225 -3.070 -10.009 1.00 0.00 N ATOM 141 CA CYS A 10 3.608 -2.818 -10.397 1.00 0.00 C ATOM 142 C CYS A 10 3.874 -3.220 -11.851 1.00 0.00 C ATOM 143 O CYS A 10 5.002 -3.078 -12.318 1.00 0.00 O ATOM 144 CB CYS A 10 4.552 -3.560 -9.442 1.00 0.00 C ATOM 145 SG CYS A 10 4.621 -2.860 -7.772 1.00 0.00 S ATOM 0 H CYS A 10 2.109 -3.880 -9.400 1.00 0.00 H new ATOM 0 HA CYS A 10 3.794 -1.746 -10.326 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.237 -4.601 -9.374 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.556 -3.557 -9.867 1.00 0.00 H new ATOM 150 N VAL A 11 2.854 -3.716 -12.564 1.00 0.00 N ATOM 151 CA VAL A 11 2.999 -4.146 -13.953 1.00 0.00 C ATOM 152 C VAL A 11 1.986 -3.452 -14.860 1.00 0.00 C ATOM 153 O VAL A 11 2.213 -3.346 -16.063 1.00 0.00 O ATOM 154 CB VAL A 11 2.838 -5.673 -14.026 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.072 -6.187 -15.445 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.848 -6.358 -13.105 1.00 0.00 C ATOM 0 H VAL A 11 1.911 -3.828 -12.192 1.00 0.00 H new ATOM 0 HA VAL A 11 3.991 -3.866 -14.306 1.00 0.00 H new ATOM 0 HB VAL A 11 1.819 -5.905 -13.716 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.951 -7.270 -15.464 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.350 -5.729 -16.121 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.082 -5.929 -15.764 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.722 -7.439 -13.167 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.859 -6.092 -13.412 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.683 -6.032 -12.078 1.00 0.00 H new ATOM 166 N THR A 12 0.869 -2.976 -14.297 1.00 0.00 N ATOM 167 CA THR A 12 -0.191 -2.358 -15.086 1.00 0.00 C ATOM 168 C THR A 12 -0.109 -0.836 -15.083 1.00 0.00 C ATOM 169 O THR A 12 -0.671 -0.195 -15.969 1.00 0.00 O ATOM 170 CB THR A 12 -1.557 -2.807 -14.559 1.00 0.00 C ATOM 171 OG1 THR A 12 -1.686 -2.449 -13.197 1.00 0.00 O ATOM 172 CG2 THR A 12 -1.716 -4.320 -14.686 1.00 0.00 C ATOM 0 H THR A 12 0.680 -3.010 -13.295 1.00 0.00 H new ATOM 0 HA THR A 12 -0.061 -2.686 -16.117 1.00 0.00 H new ATOM 0 HB THR A 12 -2.328 -2.315 -15.152 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.562 -2.737 -12.865 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.694 -4.616 -14.306 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.632 -4.608 -15.734 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.936 -4.817 -14.109 1.00 0.00 H new ATOM 180 N SER A 13 0.584 -0.248 -14.103 1.00 0.00 N ATOM 181 CA SER A 13 0.715 1.197 -13.993 1.00 0.00 C ATOM 182 C SER A 13 2.031 1.624 -13.344 1.00 0.00 C ATOM 183 O SER A 13 2.490 2.742 -13.574 1.00 0.00 O ATOM 184 CB SER A 13 -0.431 1.707 -13.127 1.00 0.00 C ATOM 185 OG SER A 13 -1.644 1.716 -13.851 1.00 0.00 O ATOM 0 H SER A 13 1.067 -0.765 -13.368 1.00 0.00 H new ATOM 0 HA SER A 13 0.694 1.613 -15.000 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.534 1.076 -12.244 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.206 2.713 -12.774 1.00 0.00 H new ATOM 0 HG SER A 13 -2.366 2.045 -13.276 1.00 0.00 H new ATOM 191 N GLY A 14 2.643 0.751 -12.542 1.00 0.00 N ATOM 192 CA GLY A 14 3.902 1.025 -11.866 1.00 0.00 C ATOM 193 C GLY A 14 3.692 1.225 -10.369 1.00 0.00 C ATOM 194 O GLY A 14 2.565 1.178 -9.878 1.00 0.00 O ATOM 0 H GLY A 14 2.269 -0.177 -12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.594 0.199 -12.032 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.361 1.916 -12.294 1.00 0.00 H new ATOM 198 N LEU A 15 4.789 1.454 -9.635 1.00 0.00 N ATOM 199 CA LEU A 15 4.751 1.587 -8.186 1.00 0.00 C ATOM 200 C LEU A 15 3.864 2.753 -7.744 1.00 0.00 C ATOM 201 O LEU A 15 3.299 2.722 -6.653 1.00 0.00 O ATOM 202 CB LEU A 15 6.188 1.781 -7.689 1.00 0.00 C ATOM 203 CG LEU A 15 6.256 2.059 -6.184 1.00 0.00 C ATOM 204 CD1 LEU A 15 5.620 0.938 -5.364 1.00 0.00 C ATOM 205 CD2 LEU A 15 7.717 2.197 -5.764 1.00 0.00 C ATOM 0 H LEU A 15 5.722 1.551 -10.035 1.00 0.00 H new ATOM 0 HA LEU A 15 4.317 0.686 -7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.771 0.889 -7.917 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.647 2.609 -8.229 1.00 0.00 H new ATOM 0 HG LEU A 15 5.703 2.979 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.691 1.178 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.571 0.833 -5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.143 0.002 -5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.771 2.395 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.249 1.273 -5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.176 3.022 -6.309 1.00 0.00 H new ATOM 217 N THR A 16 3.727 3.785 -8.580 1.00 0.00 N ATOM 218 CA THR A 16 2.921 4.948 -8.233 1.00 0.00 C ATOM 219 C THR A 16 1.463 4.553 -8.011 1.00 0.00 C ATOM 220 O THR A 16 0.783 5.143 -7.175 1.00 0.00 O ATOM 221 CB THR A 16 3.023 5.995 -9.347 1.00 0.00 C ATOM 222 OG1 THR A 16 4.382 6.250 -9.632 1.00 0.00 O ATOM 223 CG2 THR A 16 2.361 7.304 -8.932 1.00 0.00 C ATOM 0 H THR A 16 4.165 3.835 -9.500 1.00 0.00 H new ATOM 0 HA THR A 16 3.301 5.372 -7.303 1.00 0.00 H new ATOM 0 HB THR A 16 2.513 5.602 -10.227 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.447 6.918 -10.346 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.448 8.029 -9.742 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.307 7.126 -8.716 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.853 7.694 -8.041 1.00 0.00 H new ATOM 231 N ALA A 17 0.969 3.552 -8.746 1.00 0.00 N ATOM 232 CA ALA A 17 -0.414 3.125 -8.607 1.00 0.00 C ATOM 233 C ALA A 17 -0.595 2.261 -7.369 1.00 0.00 C ATOM 234 O ALA A 17 -1.672 2.266 -6.769 1.00 0.00 O ATOM 235 CB ALA A 17 -0.823 2.359 -9.863 1.00 0.00 C ATOM 0 H ALA A 17 1.507 3.029 -9.437 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.051 4.002 -8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.859 2.034 -9.770 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.723 3.008 -10.733 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.179 1.488 -9.984 1.00 0.00 H new ATOM 241 N CYS A 18 0.441 1.517 -6.972 1.00 0.00 N ATOM 242 CA CYS A 18 0.363 0.713 -5.765 1.00 0.00 C ATOM 243 C CYS A 18 0.553 1.588 -4.530 1.00 0.00 C ATOM 244 O CYS A 18 0.024 1.281 -3.467 1.00 0.00 O ATOM 245 CB CYS A 18 1.412 -0.393 -5.797 1.00 0.00 C ATOM 246 SG CYS A 18 1.266 -1.476 -4.354 1.00 0.00 S ATOM 0 H CYS A 18 1.331 1.459 -7.467 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.625 0.255 -5.717 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.298 -0.980 -6.708 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.408 0.048 -5.825 1.00 0.00 H new ATOM 251 N ARG A 19 1.305 2.684 -4.660 1.00 0.00 N ATOM 252 CA ARG A 19 1.509 3.602 -3.549 1.00 0.00 C ATOM 253 C ARG A 19 0.213 4.346 -3.255 1.00 0.00 C ATOM 254 O ARG A 19 -0.080 4.651 -2.102 1.00 0.00 O ATOM 255 CB ARG A 19 2.628 4.578 -3.917 1.00 0.00 C ATOM 256 CG ARG A 19 3.077 5.349 -2.677 1.00 0.00 C ATOM 257 CD ARG A 19 4.232 6.286 -3.031 1.00 0.00 C ATOM 258 NE ARG A 19 4.727 6.982 -1.839 1.00 0.00 N ATOM 259 CZ ARG A 19 4.374 8.218 -1.478 1.00 0.00 C ATOM 260 NH1 ARG A 19 3.500 8.921 -2.195 1.00 0.00 N ATOM 261 NH2 ARG A 19 4.904 8.766 -0.387 1.00 0.00 N ATOM 0 H ARG A 19 1.779 2.952 -5.522 1.00 0.00 H new ATOM 0 HA ARG A 19 1.796 3.053 -2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.471 4.034 -4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.279 5.273 -4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.243 5.923 -2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.389 4.652 -1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.042 5.715 -3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.900 7.015 -3.771 1.00 0.00 H new ATOM 0 HE ARG A 19 5.389 6.486 -1.242 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.088 8.517 -3.036 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.242 9.864 -1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.578 8.242 0.171 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.636 9.710 -0.109 1.00 0.00 H new ATOM 275 N ASN A 20 -0.564 4.628 -4.303 1.00 0.00 N ATOM 276 CA ASN A 20 -1.861 5.264 -4.151 1.00 0.00 C ATOM 277 C ASN A 20 -2.881 4.263 -3.605 1.00 0.00 C ATOM 278 O ASN A 20 -3.821 4.657 -2.919 1.00 0.00 O ATOM 279 CB ASN A 20 -2.313 5.814 -5.507 1.00 0.00 C ATOM 280 CG ASN A 20 -1.392 6.915 -6.022 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.578 7.464 -5.285 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.521 7.243 -7.304 1.00 0.00 N ATOM 0 H ASN A 20 -0.309 4.422 -5.269 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.784 6.087 -3.440 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.346 5.002 -6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.327 6.204 -5.419 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.932 7.973 -7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.209 6.765 -7.886 1.00 0.00 H new ATOM 289 N HIS A 21 -2.699 2.972 -3.899 1.00 0.00 N ATOM 290 CA HIS A 21 -3.579 1.930 -3.389 1.00 0.00 C ATOM 291 C HIS A 21 -3.250 1.580 -1.939 1.00 0.00 C ATOM 292 O HIS A 21 -4.150 1.275 -1.160 1.00 0.00 O ATOM 293 CB HIS A 21 -3.438 0.702 -4.286 1.00 0.00 C ATOM 294 CG HIS A 21 -4.356 -0.427 -3.898 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.721 -0.462 -4.054 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.981 -1.610 -3.321 1.00 0.00 C ATOM 297 CE1 HIS A 21 -6.156 -1.648 -3.592 1.00 0.00 C ATOM 298 NE2 HIS A 21 -5.132 -2.389 -3.133 1.00 0.00 N ATOM 0 H HIS A 21 -1.944 2.628 -4.492 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.608 2.288 -3.402 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.642 0.989 -5.318 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.407 0.351 -4.251 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -6.300 0.279 -4.449 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.973 -1.894 -3.056 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -7.189 -1.963 -3.590 1.00 0.00 H new ATOM 306 N CYS A 22 -1.966 1.622 -1.566 1.00 0.00 N ATOM 307 CA CYS A 22 -1.540 1.362 -0.200 1.00 0.00 C ATOM 308 C CYS A 22 -1.843 2.545 0.720 1.00 0.00 C ATOM 309 O CYS A 22 -2.090 2.336 1.906 1.00 0.00 O ATOM 310 CB CYS A 22 -0.041 1.058 -0.174 1.00 0.00 C ATOM 311 SG CYS A 22 0.453 -0.550 -0.852 1.00 0.00 S ATOM 0 H CYS A 22 -1.201 1.837 -2.205 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.099 0.501 0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.478 1.839 -0.729 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.304 1.117 0.858 1.00 0.00 H new ATOM 316 N ARG A 23 -1.831 3.777 0.200 1.00 0.00 N ATOM 317 CA ARG A 23 -2.128 4.957 1.010 1.00 0.00 C ATOM 318 C ARG A 23 -3.632 5.169 1.165 1.00 0.00 C ATOM 319 O ARG A 23 -4.064 5.915 2.039 1.00 0.00 O ATOM 320 CB ARG A 23 -1.448 6.187 0.407 1.00 0.00 C ATOM 321 CG ARG A 23 0.060 6.101 0.662 1.00 0.00 C ATOM 322 CD ARG A 23 0.790 7.277 0.010 1.00 0.00 C ATOM 323 NE ARG A 23 0.325 8.567 0.529 1.00 0.00 N ATOM 324 CZ ARG A 23 0.689 9.094 1.704 1.00 0.00 C ATOM 325 NH1 ARG A 23 1.532 8.458 2.514 1.00 0.00 N ATOM 326 NH2 ARG A 23 0.204 10.275 2.072 1.00 0.00 N ATOM 0 H ARG A 23 -1.619 3.980 -0.777 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.729 4.796 2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.646 6.239 -0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.853 7.096 0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.252 6.098 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.447 5.162 0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.862 7.181 0.185 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.639 7.244 -1.069 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.324 9.102 -0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.913 7.552 2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.797 8.877 3.405 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.442 10.774 1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.477 10.682 2.966 1.00 0.00 H new ATOM 340 N SER A 24 -4.424 4.506 0.318 1.00 0.00 N ATOM 341 CA SER A 24 -5.872 4.473 0.447 1.00 0.00 C ATOM 342 C SER A 24 -6.262 3.152 1.108 1.00 0.00 C ATOM 343 O SER A 24 -5.419 2.269 1.269 1.00 0.00 O ATOM 344 CB SER A 24 -6.522 4.635 -0.925 1.00 0.00 C ATOM 345 OG SER A 24 -7.917 4.793 -0.779 1.00 0.00 O ATOM 0 H SER A 24 -4.071 3.976 -0.479 1.00 0.00 H new ATOM 0 HA SER A 24 -6.224 5.297 1.068 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.101 5.500 -1.437 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.309 3.763 -1.544 1.00 0.00 H new ATOM 0 HG SER A 24 -8.329 4.898 -1.662 1.00 0.00 H new ATOM 351 N CYS A 25 -7.530 3.001 1.496 1.00 0.00 N ATOM 352 CA CYS A 25 -7.945 1.770 2.144 1.00 0.00 C ATOM 353 C CYS A 25 -8.187 0.682 1.102 1.00 0.00 C ATOM 354 O CYS A 25 -8.744 0.944 0.035 1.00 0.00 O ATOM 355 CB CYS A 25 -9.149 2.010 3.050 1.00 0.00 C ATOM 356 SG CYS A 25 -9.405 0.661 4.224 1.00 0.00 S ATOM 0 H CYS A 25 -8.264 3.698 1.375 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.144 1.416 2.792 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -9.009 2.943 3.597 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -10.043 2.130 2.438 1.00 0.00 H new ATOM 361 N HIS A 26 -7.759 -0.541 1.418 1.00 0.00 N ATOM 362 CA HIS A 26 -7.836 -1.668 0.508 1.00 0.00 C ATOM 363 C HIS A 26 -8.060 -2.955 1.293 1.00 0.00 C ATOM 364 O HIS A 26 -7.968 -2.963 2.521 1.00 0.00 O ATOM 365 CB HIS A 26 -6.519 -1.734 -0.262 1.00 0.00 C ATOM 366 CG HIS A 26 -5.332 -1.695 0.665 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.562 -0.580 0.951 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.839 -2.741 1.392 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.621 -0.946 1.839 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.772 -2.253 2.120 1.00 0.00 N ATOM 0 H HIS A 26 -7.347 -0.772 2.322 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.670 -1.548 -0.184 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.489 -2.648 -0.855 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.463 -0.899 -0.961 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.687 0.353 0.558 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.212 -3.755 1.397 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.867 -0.297 2.258 1.00 0.00 H new ATOM 379 N ARG A 27 -8.353 -4.049 0.587 1.00 0.00 N ATOM 380 CA ARG A 27 -8.583 -5.335 1.220 1.00 0.00 C ATOM 381 C ARG A 27 -7.262 -5.934 1.693 1.00 0.00 C ATOM 382 O ARG A 27 -6.346 -6.141 0.896 1.00 0.00 O ATOM 383 CB ARG A 27 -9.301 -6.254 0.229 1.00 0.00 C ATOM 384 CG ARG A 27 -9.785 -7.560 0.869 1.00 0.00 C ATOM 385 CD ARG A 27 -10.666 -7.283 2.090 1.00 0.00 C ATOM 386 NE ARG A 27 -11.446 -8.465 2.484 1.00 0.00 N ATOM 387 CZ ARG A 27 -10.950 -9.576 3.038 1.00 0.00 C ATOM 388 NH1 ARG A 27 -9.648 -9.724 3.263 1.00 0.00 N ATOM 389 NH2 ARG A 27 -11.773 -10.568 3.371 1.00 0.00 N ATOM 0 H ARG A 27 -8.435 -4.062 -0.430 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.215 -5.213 2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.154 -5.726 -0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.628 -6.487 -0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.345 -8.141 0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.927 -8.163 1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.040 -6.967 2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.344 -6.458 1.869 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.452 -8.435 2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.999 -8.978 3.011 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.298 -10.583 3.687 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.775 -10.477 3.203 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.402 -11.419 3.794 1.00 0.00 H new ATOM 403 N GLY A 28 -7.173 -6.212 2.995 1.00 0.00 N ATOM 404 CA GLY A 28 -6.021 -6.855 3.602 1.00 0.00 C ATOM 405 C GLY A 28 -6.182 -8.371 3.588 1.00 0.00 C ATOM 406 O GLY A 28 -6.984 -8.904 2.821 1.00 0.00 O ATOM 0 H GLY A 28 -7.913 -5.991 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.116 -6.575 3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.902 -6.506 4.628 1.00 0.00 H new ATOM 410 N ASP A 29 -5.423 -9.067 4.436 1.00 0.00 N ATOM 411 CA ASP A 29 -5.462 -10.525 4.503 1.00 0.00 C ATOM 412 C ASP A 29 -6.587 -11.026 5.416 1.00 0.00 C ATOM 413 O ASP A 29 -6.966 -12.191 5.340 1.00 0.00 O ATOM 414 CB ASP A 29 -4.106 -11.012 5.005 1.00 0.00 C ATOM 415 CG ASP A 29 -3.989 -12.533 4.950 1.00 0.00 C ATOM 416 OD1 ASP A 29 -4.054 -13.075 3.825 1.00 0.00 O ATOM 417 OD2 ASP A 29 -3.839 -13.144 6.034 1.00 0.00 O ATOM 0 H ASP A 29 -4.769 -8.638 5.091 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.667 -10.924 3.510 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.315 -10.565 4.403 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.956 -10.674 6.030 1.00 0.00 H new ATOM 422 N VAL A 30 -7.121 -10.154 6.277 1.00 0.00 N ATOM 423 CA VAL A 30 -8.168 -10.525 7.228 1.00 0.00 C ATOM 424 C VAL A 30 -9.256 -9.446 7.344 1.00 0.00 C ATOM 425 O VAL A 30 -10.309 -9.687 7.927 1.00 0.00 O ATOM 426 CB VAL A 30 -7.509 -10.819 8.581 1.00 0.00 C ATOM 427 CG1 VAL A 30 -6.909 -9.552 9.197 1.00 0.00 C ATOM 428 CG2 VAL A 30 -8.504 -11.430 9.564 1.00 0.00 C ATOM 0 H VAL A 30 -6.839 -9.175 6.333 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.680 -11.418 6.869 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.710 -11.536 8.391 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.450 -9.796 10.155 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.153 -9.144 8.526 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.696 -8.813 9.349 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.004 -11.626 10.513 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.329 -10.736 9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.890 -12.365 9.157 1.00 0.00 H new ATOM 438 N GLY A 31 -9.012 -8.256 6.787 1.00 0.00 N ATOM 439 CA GLY A 31 -9.959 -7.150 6.832 1.00 0.00 C ATOM 440 C GLY A 31 -9.401 -5.953 6.075 1.00 0.00 C ATOM 441 O GLY A 31 -8.277 -6.007 5.579 1.00 0.00 O ATOM 0 H GLY A 31 -8.148 -8.037 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.909 -7.456 6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.159 -6.874 7.867 1.00 0.00 H new ATOM 445 N CYS A 32 -10.175 -4.868 5.972 1.00 0.00 N ATOM 446 CA CYS A 32 -9.726 -3.690 5.248 1.00 0.00 C ATOM 447 C CYS A 32 -8.803 -2.821 6.096 1.00 0.00 C ATOM 448 O CYS A 32 -9.059 -2.595 7.279 1.00 0.00 O ATOM 449 CB CYS A 32 -10.927 -2.898 4.735 1.00 0.00 C ATOM 450 SG CYS A 32 -11.789 -3.715 3.375 1.00 0.00 S ATOM 0 H CYS A 32 -11.107 -4.787 6.379 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.141 -4.022 4.390 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.626 -2.738 5.556 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.592 -1.915 4.406 1.00 0.00 H new ATOM 455 N VAL A 33 -7.728 -2.336 5.471 1.00 0.00 N ATOM 456 CA VAL A 33 -6.719 -1.507 6.121 1.00 0.00 C ATOM 457 C VAL A 33 -6.123 -0.513 5.130 1.00 0.00 C ATOM 458 O VAL A 33 -6.307 -0.647 3.921 1.00 0.00 O ATOM 459 CB VAL A 33 -5.592 -2.379 6.696 1.00 0.00 C ATOM 460 CG1 VAL A 33 -6.100 -3.291 7.809 1.00 0.00 C ATOM 461 CG2 VAL A 33 -4.947 -3.241 5.609 1.00 0.00 C ATOM 0 H VAL A 33 -7.534 -2.512 4.485 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.205 -0.963 6.931 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.849 -1.695 7.106 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.275 -3.893 8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.512 -2.685 8.616 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.876 -3.948 7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.154 -3.846 6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.700 -3.894 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.527 -2.598 4.836 1.00 0.00 H new ATOM 471 N ARG A 34 -5.404 0.487 5.644 1.00 0.00 N ATOM 472 CA ARG A 34 -4.666 1.445 4.834 1.00 0.00 C ATOM 473 C ARG A 34 -3.274 1.612 5.431 1.00 0.00 C ATOM 474 O ARG A 34 -3.111 1.475 6.640 1.00 0.00 O ATOM 475 CB ARG A 34 -5.426 2.771 4.749 1.00 0.00 C ATOM 476 CG ARG A 34 -5.495 3.488 6.101 1.00 0.00 C ATOM 477 CD ARG A 34 -6.334 4.762 5.976 1.00 0.00 C ATOM 478 NE ARG A 34 -5.809 5.643 4.927 1.00 0.00 N ATOM 479 CZ ARG A 34 -6.191 6.911 4.741 1.00 0.00 C ATOM 480 NH1 ARG A 34 -7.103 7.479 5.529 1.00 0.00 N ATOM 481 NH2 ARG A 34 -5.651 7.622 3.753 1.00 0.00 N ATOM 0 H ARG A 34 -5.320 0.652 6.647 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.563 1.081 3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.940 3.420 4.020 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.437 2.585 4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.931 2.827 6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.490 3.737 6.442 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.367 4.499 5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.341 5.291 6.929 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.104 5.262 4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.523 6.945 6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.381 8.448 5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.951 7.199 3.144 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.938 8.590 3.605 1.00 0.00 H new ATOM 495 N CYS A 35 -2.280 1.901 4.594 1.00 0.00 N ATOM 496 CA CYS A 35 -0.882 1.945 5.004 1.00 0.00 C ATOM 497 C CYS A 35 -0.256 3.306 4.693 1.00 0.00 C ATOM 498 O CYS A 35 -0.961 4.250 4.335 1.00 0.00 O ATOM 499 CB CYS A 35 -0.137 0.823 4.283 1.00 0.00 C ATOM 500 SG CYS A 35 -0.812 -0.848 4.490 1.00 0.00 S ATOM 0 H CYS A 35 -2.425 2.112 3.607 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.812 1.804 6.083 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.116 1.055 3.218 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.897 0.820 4.629 1.00 0.00 H new ATOM 505 N SER A 36 1.070 3.411 4.832 1.00 0.00 N ATOM 506 CA SER A 36 1.781 4.676 4.681 1.00 0.00 C ATOM 507 C SER A 36 2.542 4.787 3.359 1.00 0.00 C ATOM 508 O SER A 36 2.614 5.873 2.783 1.00 0.00 O ATOM 509 CB SER A 36 2.755 4.819 5.850 1.00 0.00 C ATOM 510 OG SER A 36 3.309 6.116 5.860 1.00 0.00 O ATOM 0 H SER A 36 1.676 2.620 5.052 1.00 0.00 H new ATOM 0 HA SER A 36 1.041 5.477 4.676 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.238 4.628 6.790 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.548 4.076 5.766 1.00 0.00 H new ATOM 0 HG SER A 36 3.931 6.200 6.613 1.00 0.00 H new ATOM 516 N ASN A 37 3.106 3.679 2.869 1.00 0.00 N ATOM 517 CA ASN A 37 3.908 3.676 1.652 1.00 0.00 C ATOM 518 C ASN A 37 3.838 2.295 0.991 1.00 0.00 C ATOM 519 O ASN A 37 3.099 1.427 1.453 1.00 0.00 O ATOM 520 CB ASN A 37 5.344 4.069 2.022 1.00 0.00 C ATOM 521 CG ASN A 37 6.180 4.482 0.813 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.660 4.686 -0.278 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.489 4.608 1.006 1.00 0.00 N ATOM 0 H ASN A 37 3.017 2.762 3.308 1.00 0.00 H new ATOM 0 HA ASN A 37 3.527 4.397 0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.317 4.892 2.736 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.827 3.229 2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.094 4.882 0.232 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.888 4.430 1.928 1.00 0.00 H new ATOM 530 N ALA A 38 4.597 2.077 -0.090 1.00 0.00 N ATOM 531 CA ALA A 38 4.587 0.816 -0.812 1.00 0.00 C ATOM 532 C ALA A 38 5.897 0.580 -1.564 1.00 0.00 C ATOM 533 O ALA A 38 6.678 1.507 -1.770 1.00 0.00 O ATOM 534 CB ALA A 38 3.439 0.842 -1.818 1.00 0.00 C ATOM 0 H ALA A 38 5.231 2.773 -0.482 1.00 0.00 H new ATOM 0 HA ALA A 38 4.464 0.009 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.417 -0.098 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.495 0.975 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.584 1.668 -2.515 1.00 0.00 H new ATOM 540 N GLN A 39 6.123 -0.669 -1.973 1.00 0.00 N ATOM 541 CA GLN A 39 7.235 -1.048 -2.830 1.00 0.00 C ATOM 542 C GLN A 39 6.850 -2.278 -3.654 1.00 0.00 C ATOM 543 O GLN A 39 5.921 -3.002 -3.299 1.00 0.00 O ATOM 544 CB GLN A 39 8.486 -1.324 -1.995 1.00 0.00 C ATOM 545 CG GLN A 39 8.292 -2.526 -1.071 1.00 0.00 C ATOM 546 CD GLN A 39 9.590 -2.887 -0.355 1.00 0.00 C ATOM 547 OE1 GLN A 39 10.163 -3.945 -0.594 1.00 0.00 O ATOM 548 NE2 GLN A 39 10.068 -2.016 0.531 1.00 0.00 N ATOM 0 H GLN A 39 5.527 -1.454 -1.711 1.00 0.00 H new ATOM 0 HA GLN A 39 7.460 -0.225 -3.508 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.333 -1.506 -2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.729 -0.443 -1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.519 -2.302 -0.336 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.943 -3.381 -1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.570 -1.144 0.709 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.933 -2.221 1.032 1.00 0.00 H new ATOM 557 N CYS A 40 7.560 -2.524 -4.756 1.00 0.00 N ATOM 558 CA CYS A 40 7.300 -3.680 -5.600 1.00 0.00 C ATOM 559 C CYS A 40 8.159 -4.862 -5.147 1.00 0.00 C ATOM 560 O CYS A 40 9.323 -4.685 -4.787 1.00 0.00 O ATOM 561 CB CYS A 40 7.548 -3.318 -7.065 1.00 0.00 C ATOM 562 SG CYS A 40 6.466 -2.000 -7.692 1.00 0.00 S ATOM 0 H CYS A 40 8.323 -1.931 -5.082 1.00 0.00 H new ATOM 0 HA CYS A 40 6.256 -3.979 -5.506 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.586 -3.008 -7.182 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.411 -4.209 -7.677 1.00 0.00 H new ATOM 567 N THR A 41 7.584 -6.069 -5.168 1.00 0.00 N ATOM 568 CA THR A 41 8.252 -7.285 -4.721 1.00 0.00 C ATOM 569 C THR A 41 8.100 -8.400 -5.750 1.00 0.00 C ATOM 570 O THR A 41 7.460 -8.225 -6.787 1.00 0.00 O ATOM 571 CB THR A 41 7.679 -7.720 -3.370 1.00 0.00 C ATOM 572 OG1 THR A 41 6.288 -7.923 -3.483 1.00 0.00 O ATOM 573 CG2 THR A 41 7.937 -6.658 -2.304 1.00 0.00 C ATOM 0 H THR A 41 6.632 -6.225 -5.500 1.00 0.00 H new ATOM 0 HA THR A 41 9.316 -7.078 -4.608 1.00 0.00 H new ATOM 0 HB THR A 41 8.171 -8.648 -3.076 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.848 -7.641 -2.654 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.521 -6.989 -1.352 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.011 -6.504 -2.197 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.464 -5.722 -2.601 1.00 0.00 H new ATOM 581 N GLY A 42 8.695 -9.560 -5.459 1.00 0.00 N ATOM 582 CA GLY A 42 8.685 -10.712 -6.352 1.00 0.00 C ATOM 583 C GLY A 42 9.997 -10.811 -7.127 1.00 0.00 C ATOM 584 O GLY A 42 10.849 -9.923 -7.050 1.00 0.00 O ATOM 0 H GLY A 42 9.201 -9.723 -4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.529 -11.623 -5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.851 -10.630 -7.049 1.00 0.00 H new ATOM 588 N PHE A 43 10.168 -11.900 -7.881 1.00 0.00 N ATOM 589 CA PHE A 43 11.392 -12.167 -8.620 1.00 0.00 C ATOM 590 C PHE A 43 11.534 -11.256 -9.842 1.00 0.00 C ATOM 591 O PHE A 43 12.634 -11.101 -10.366 1.00 0.00 O ATOM 592 CB PHE A 43 11.387 -13.636 -9.036 1.00 0.00 C ATOM 593 CG PHE A 43 12.572 -14.060 -9.873 1.00 0.00 C ATOM 594 CD1 PHE A 43 13.871 -13.963 -9.350 1.00 0.00 C ATOM 595 CD2 PHE A 43 12.377 -14.552 -11.173 1.00 0.00 C ATOM 596 CE1 PHE A 43 14.969 -14.355 -10.127 1.00 0.00 C ATOM 597 CE2 PHE A 43 13.476 -14.939 -11.952 1.00 0.00 C ATOM 598 CZ PHE A 43 14.772 -14.837 -11.429 1.00 0.00 C ATOM 0 H PHE A 43 9.455 -12.621 -7.993 1.00 0.00 H new ATOM 0 HA PHE A 43 12.249 -11.958 -7.979 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.354 -14.253 -8.138 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.474 -13.838 -9.595 1.00 0.00 H new ATOM 0 HD1 PHE A 43 14.024 -13.586 -8.349 1.00 0.00 H new ATOM 0 HD2 PHE A 43 11.377 -14.633 -11.574 1.00 0.00 H new ATOM 0 HE1 PHE A 43 15.968 -14.286 -9.723 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.324 -15.315 -12.953 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.620 -15.130 -12.030 1.00 0.00 H new ATOM 608 N LEU A 44 10.428 -10.655 -10.299 1.00 0.00 N ATOM 609 CA LEU A 44 10.409 -9.797 -11.478 1.00 0.00 C ATOM 610 C LEU A 44 9.609 -8.517 -11.223 1.00 0.00 C ATOM 611 O LEU A 44 9.268 -7.803 -12.164 1.00 0.00 O ATOM 612 CB LEU A 44 9.845 -10.580 -12.672 1.00 0.00 C ATOM 613 CG LEU A 44 10.748 -11.747 -13.094 1.00 0.00 C ATOM 614 CD1 LEU A 44 10.047 -12.555 -14.182 1.00 0.00 C ATOM 615 CD2 LEU A 44 12.073 -11.242 -13.658 1.00 0.00 C ATOM 0 H LEU A 44 9.516 -10.755 -9.853 1.00 0.00 H new ATOM 0 HA LEU A 44 11.430 -9.492 -11.708 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.858 -10.964 -12.416 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.714 -9.903 -13.516 1.00 0.00 H new ATOM 0 HG LEU A 44 10.944 -12.359 -12.214 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.684 -13.386 -14.486 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.104 -12.943 -13.797 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.851 -11.914 -15.042 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.692 -12.091 -13.948 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.882 -10.617 -14.530 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.592 -10.657 -12.899 1.00 0.00 H new ATOM 627 N GLY A 45 9.303 -8.215 -9.955 1.00 0.00 N ATOM 628 CA GLY A 45 8.549 -7.019 -9.607 1.00 0.00 C ATOM 629 C GLY A 45 7.071 -7.143 -9.979 1.00 0.00 C ATOM 630 O GLY A 45 6.360 -6.142 -10.034 1.00 0.00 O ATOM 0 H GLY A 45 9.570 -8.789 -9.155 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.639 -6.833 -8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.980 -6.158 -10.118 1.00 0.00 H new ATOM 634 N THR A 46 6.605 -8.370 -10.240 1.00 0.00 N ATOM 635 CA THR A 46 5.238 -8.636 -10.678 1.00 0.00 C ATOM 636 C THR A 46 4.233 -8.594 -9.524 1.00 0.00 C ATOM 637 O THR A 46 3.056 -8.889 -9.724 1.00 0.00 O ATOM 638 CB THR A 46 5.182 -9.982 -11.406 1.00 0.00 C ATOM 639 OG1 THR A 46 5.737 -10.990 -10.588 1.00 0.00 O ATOM 640 CG2 THR A 46 5.975 -9.907 -12.709 1.00 0.00 C ATOM 0 H THR A 46 7.175 -9.211 -10.151 1.00 0.00 H new ATOM 0 HA THR A 46 4.949 -7.841 -11.365 1.00 0.00 H new ATOM 0 HB THR A 46 4.141 -10.217 -11.627 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.698 -11.850 -11.056 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.929 -10.869 -13.219 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.549 -9.136 -13.350 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.014 -9.663 -12.489 1.00 0.00 H new ATOM 648 N THR A 47 4.694 -8.233 -8.325 1.00 0.00 N ATOM 649 CA THR A 47 3.859 -8.162 -7.132 1.00 0.00 C ATOM 650 C THR A 47 4.142 -6.852 -6.400 1.00 0.00 C ATOM 651 O THR A 47 5.166 -6.219 -6.643 1.00 0.00 O ATOM 652 CB THR A 47 4.146 -9.379 -6.247 1.00 0.00 C ATOM 653 OG1 THR A 47 3.978 -10.561 -7.000 1.00 0.00 O ATOM 654 CG2 THR A 47 3.210 -9.457 -5.041 1.00 0.00 C ATOM 0 H THR A 47 5.668 -7.980 -8.157 1.00 0.00 H new ATOM 0 HA THR A 47 2.802 -8.178 -7.399 1.00 0.00 H new ATOM 0 HB THR A 47 5.170 -9.274 -5.888 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.163 -11.339 -6.433 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.455 -10.337 -4.446 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.328 -8.562 -4.430 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.178 -9.528 -5.385 1.00 0.00 H new ATOM 662 N CYS A 48 3.247 -6.438 -5.501 1.00 0.00 N ATOM 663 CA CYS A 48 3.462 -5.243 -4.697 1.00 0.00 C ATOM 664 C CYS A 48 3.221 -5.532 -3.216 1.00 0.00 C ATOM 665 O CYS A 48 2.531 -6.491 -2.872 1.00 0.00 O ATOM 666 CB CYS A 48 2.563 -4.102 -5.172 1.00 0.00 C ATOM 667 SG CYS A 48 2.989 -2.545 -4.357 1.00 0.00 S ATOM 0 H CYS A 48 2.366 -6.917 -5.314 1.00 0.00 H new ATOM 0 HA CYS A 48 4.501 -4.937 -4.821 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.658 -3.987 -6.252 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.521 -4.348 -4.968 1.00 0.00 H new ATOM 672 N THR A 49 3.799 -4.699 -2.351 1.00 0.00 N ATOM 673 CA THR A 49 3.696 -4.835 -0.909 1.00 0.00 C ATOM 674 C THR A 49 3.605 -3.451 -0.276 1.00 0.00 C ATOM 675 O THR A 49 4.335 -2.538 -0.667 1.00 0.00 O ATOM 676 CB THR A 49 4.936 -5.582 -0.408 1.00 0.00 C ATOM 677 OG1 THR A 49 4.900 -6.915 -0.867 1.00 0.00 O ATOM 678 CG2 THR A 49 5.005 -5.614 1.121 1.00 0.00 C ATOM 0 H THR A 49 4.360 -3.899 -2.644 1.00 0.00 H new ATOM 0 HA THR A 49 2.802 -5.395 -0.636 1.00 0.00 H new ATOM 0 HB THR A 49 5.809 -5.053 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.603 -7.433 -0.422 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.899 -6.153 1.434 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.043 -4.595 1.505 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.122 -6.117 1.515 1.00 0.00 H new ATOM 686 N CYS A 50 2.710 -3.283 0.697 1.00 0.00 N ATOM 687 CA CYS A 50 2.554 -2.019 1.398 1.00 0.00 C ATOM 688 C CYS A 50 3.518 -1.946 2.585 1.00 0.00 C ATOM 689 O CYS A 50 4.001 -2.971 3.068 1.00 0.00 O ATOM 690 CB CYS A 50 1.105 -1.836 1.848 1.00 0.00 C ATOM 691 SG CYS A 50 -0.148 -1.914 0.536 1.00 0.00 S ATOM 0 H CYS A 50 2.078 -4.017 1.017 1.00 0.00 H new ATOM 0 HA CYS A 50 2.799 -1.205 0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.875 -2.602 2.589 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.019 -0.872 2.349 1.00 0.00 H new ATOM 696 N ILE A 51 3.797 -0.727 3.055 1.00 0.00 N ATOM 697 CA ILE A 51 4.749 -0.481 4.132 1.00 0.00 C ATOM 698 C ILE A 51 4.013 -0.111 5.415 1.00 0.00 C ATOM 699 O ILE A 51 3.029 0.628 5.373 1.00 0.00 O ATOM 700 CB ILE A 51 5.714 0.631 3.705 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.463 0.273 2.413 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.714 0.931 4.817 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.318 -0.985 2.541 1.00 0.00 C ATOM 0 H ILE A 51 3.362 0.122 2.693 1.00 0.00 H new ATOM 0 HA ILE A 51 5.322 -1.387 4.331 1.00 0.00 H new ATOM 0 HB ILE A 51 5.114 1.520 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.740 0.133 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.100 1.110 2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.390 1.723 4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.179 1.252 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.289 0.032 5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.820 -1.182 1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.063 -0.840 3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.682 -1.832 2.798 1.00 0.00 H new ATOM 715 N ASN A 52 4.494 -0.621 6.551 1.00 0.00 N ATOM 716 CA ASN A 52 3.883 -0.398 7.853 1.00 0.00 C ATOM 717 C ASN A 52 4.026 1.070 8.282 1.00 0.00 C ATOM 718 O ASN A 52 4.941 1.759 7.830 1.00 0.00 O ATOM 719 CB ASN A 52 4.536 -1.335 8.870 1.00 0.00 C ATOM 720 CG ASN A 52 4.381 -2.794 8.465 1.00 0.00 C ATOM 721 OD1 ASN A 52 5.300 -3.387 7.911 1.00 0.00 O ATOM 722 ND2 ASN A 52 3.219 -3.380 8.739 1.00 0.00 N ATOM 0 H ASN A 52 5.328 -1.206 6.588 1.00 0.00 H new ATOM 0 HA ASN A 52 2.816 -0.613 7.797 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.595 -1.093 8.962 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.087 -1.179 9.851 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.068 -4.357 8.487 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.478 -2.853 9.201 1.00 0.00 H new ATOM 729 N PRO A 53 3.136 1.563 9.153 1.00 0.00 N ATOM 730 CA PRO A 53 2.010 0.848 9.737 1.00 0.00 C ATOM 731 C PRO A 53 0.870 0.700 8.731 1.00 0.00 C ATOM 732 O PRO A 53 0.853 1.365 7.697 1.00 0.00 O ATOM 733 CB PRO A 53 1.579 1.703 10.927 1.00 0.00 C ATOM 734 CG PRO A 53 1.889 3.116 10.439 1.00 0.00 C ATOM 735 CD PRO A 53 3.185 2.923 9.658 1.00 0.00 C ATOM 0 HA PRO A 53 2.281 -0.165 10.035 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.522 1.575 11.158 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.135 1.453 11.830 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.092 3.511 9.810 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.015 3.812 11.268 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.262 3.642 8.842 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.055 3.073 10.298 1.00 0.00 H new ATOM 743 N CYS A 54 -0.085 -0.177 9.053 1.00 0.00 N ATOM 744 CA CYS A 54 -1.246 -0.444 8.219 1.00 0.00 C ATOM 745 C CYS A 54 -2.508 -0.559 9.082 1.00 0.00 C ATOM 746 O CYS A 54 -3.089 -1.639 9.183 1.00 0.00 O ATOM 747 CB CYS A 54 -1.017 -1.730 7.418 1.00 0.00 C ATOM 748 SG CYS A 54 0.200 -1.647 6.074 1.00 0.00 S ATOM 0 H CYS A 54 -0.067 -0.725 9.913 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.387 0.384 7.524 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.706 -2.512 8.111 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.972 -2.041 6.994 1.00 0.00 H new ATOM 753 N PRO A 55 -2.945 0.539 9.713 1.00 0.00 N ATOM 754 CA PRO A 55 -4.136 0.574 10.553 1.00 0.00 C ATOM 755 C PRO A 55 -5.409 0.378 9.729 1.00 0.00 C ATOM 756 O PRO A 55 -5.397 0.472 8.502 1.00 0.00 O ATOM 757 CB PRO A 55 -4.123 1.956 11.208 1.00 0.00 C ATOM 758 CG PRO A 55 -3.394 2.809 10.173 1.00 0.00 C ATOM 759 CD PRO A 55 -2.323 1.850 9.662 1.00 0.00 C ATOM 0 HA PRO A 55 -4.128 -0.231 11.288 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.131 2.324 11.398 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.601 1.946 12.165 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.060 3.139 9.375 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.960 3.705 10.617 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.017 2.103 8.647 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.429 1.888 10.284 1.00 0.00 H new ATOM 767 N ARG A 56 -6.523 0.102 10.417 1.00 0.00 N ATOM 768 CA ARG A 56 -7.822 -0.079 9.782 1.00 0.00 C ATOM 769 C ARG A 56 -8.408 1.269 9.365 1.00 0.00 C ATOM 770 O ARG A 56 -7.909 2.319 9.772 1.00 0.00 O ATOM 771 CB ARG A 56 -8.764 -0.829 10.725 1.00 0.00 C ATOM 772 CG ARG A 56 -8.218 -2.226 11.029 1.00 0.00 C ATOM 773 CD ARG A 56 -9.209 -3.001 11.890 1.00 0.00 C ATOM 774 NE ARG A 56 -8.683 -4.329 12.231 1.00 0.00 N ATOM 775 CZ ARG A 56 -9.327 -5.217 12.994 1.00 0.00 C ATOM 776 NH1 ARG A 56 -10.522 -4.935 13.508 1.00 0.00 N ATOM 777 NH2 ARG A 56 -8.775 -6.399 13.248 1.00 0.00 N ATOM 0 H ARG A 56 -6.543 -0.001 11.432 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.697 -0.677 8.879 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.882 -0.268 11.652 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.753 -0.909 10.273 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.035 -2.764 10.099 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.261 -2.146 11.545 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.417 -2.443 12.803 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.154 -3.106 11.358 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.769 -4.590 11.862 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.957 -4.032 13.321 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.002 -5.622 14.089 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.860 -6.628 12.861 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.267 -7.077 13.830 1.00 0.00 H new ATOM 791 N CYS A 57 -9.470 1.240 8.554 1.00 0.00 N ATOM 792 CA CYS A 57 -10.119 2.444 8.050 1.00 0.00 C ATOM 793 C CYS A 57 -11.617 2.450 8.366 1.00 0.00 C ATOM 794 O CYS A 57 -12.196 3.558 8.365 1.00 0.00 O ATOM 795 CB CYS A 57 -9.854 2.558 6.545 1.00 0.00 C ATOM 796 SG CYS A 57 -10.792 1.389 5.523 1.00 0.00 S ATOM 797 OXT CYS A 57 -12.170 1.352 8.610 1.00 0.00 O ATOM 0 H CYS A 57 -9.902 0.375 8.230 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.699 3.316 8.551 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.090 3.572 6.224 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.790 2.406 6.364 1.00 0.00 H new TER 802 CYS A 57