USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 379 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 36 THR OG1 : rot 80:sc= 0.258 USER MOD Set 1.2: A 41 TYR OH : rot 180:sc= 0.711 USER MOD Single : A 1 MET CE :methyl 161:sc= 0 (180deg=-0.138) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0.164 (180deg=-0.11) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.63 K(o=-1.6,f=0.013) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.152 USER MOD Single : A 23 LYS NZ :NH3+ 166:sc=-0.00313 (180deg=-0.259) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 31 ASN : amide:sc= -2.57 K(o=-2.6,f=-5.8!) USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= -0.0434 (180deg=-0.355) USER MOD Single : A 40 LYS NZ :NH3+ 160:sc= -0.0601 (180deg=-0.624) USER MOD Single : A 43 SER OG : rot -72:sc= -0.954 USER MOD Single : A 47 THR OG1 : rot 122:sc= 0.946 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.053 9.703 5.999 1.00 0.00 N ATOM 2 CA MET A 1 -5.169 11.151 6.332 1.00 0.00 C ATOM 3 C MET A 1 -5.802 11.927 5.170 1.00 0.00 C ATOM 4 O MET A 1 -5.833 11.460 4.047 1.00 0.00 O ATOM 5 CB MET A 1 -3.766 11.743 6.638 1.00 0.00 C ATOM 6 CG MET A 1 -2.796 11.521 5.456 1.00 0.00 C ATOM 7 SD MET A 1 -1.135 12.228 5.608 1.00 0.00 S ATOM 8 CE MET A 1 -1.450 13.809 4.784 1.00 0.00 C ATOM 0 H1 MET A 1 -4.446 9.233 6.701 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.997 9.267 6.011 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.635 9.597 5.053 1.00 0.00 H new ATOM 0 HA MET A 1 -5.806 11.246 7.211 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.855 12.810 6.843 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.361 11.278 7.537 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.694 10.447 5.299 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.258 11.931 4.558 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.674 14.523 5.058 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.444 13.664 3.704 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.422 14.193 5.093 1.00 0.00 H new ATOM 20 N LYS A 2 -6.287 13.102 5.489 1.00 0.00 N ATOM 21 CA LYS A 2 -6.934 13.976 4.461 1.00 0.00 C ATOM 22 C LYS A 2 -5.855 14.452 3.480 1.00 0.00 C ATOM 23 O LYS A 2 -4.817 14.927 3.899 1.00 0.00 O ATOM 24 CB LYS A 2 -7.582 15.191 5.153 1.00 0.00 C ATOM 25 CG LYS A 2 -8.574 14.799 6.290 1.00 0.00 C ATOM 26 CD LYS A 2 -9.784 13.956 5.792 1.00 0.00 C ATOM 27 CE LYS A 2 -9.481 12.441 5.822 1.00 0.00 C ATOM 28 NZ LYS A 2 -10.685 11.684 5.381 1.00 0.00 N ATOM 0 H LYS A 2 -6.262 13.497 6.429 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.705 13.421 3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.798 15.825 5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.111 15.785 4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.037 14.235 7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.945 15.706 6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.653 14.165 6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.041 14.255 4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.637 12.215 5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.196 12.136 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.481 10.664 5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.479 11.891 6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.938 11.967 4.413 1.00 0.00 H new ATOM 42 N ALA A 3 -6.142 14.304 2.207 1.00 0.00 N ATOM 43 CA ALA A 3 -5.195 14.716 1.120 1.00 0.00 C ATOM 44 C ALA A 3 -3.815 14.068 1.338 1.00 0.00 C ATOM 45 O ALA A 3 -2.898 14.681 1.851 1.00 0.00 O ATOM 46 CB ALA A 3 -5.081 16.262 1.119 1.00 0.00 C ATOM 0 H ALA A 3 -7.017 13.904 1.868 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.572 14.379 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.395 16.576 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.063 16.699 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.705 16.600 2.085 1.00 0.00 H new ATOM 52 N CYS A 4 -3.726 12.825 0.932 1.00 0.00 N ATOM 53 CA CYS A 4 -2.464 12.042 1.067 1.00 0.00 C ATOM 54 C CYS A 4 -1.271 12.673 0.342 1.00 0.00 C ATOM 55 O CYS A 4 -1.420 13.585 -0.448 1.00 0.00 O ATOM 56 CB CYS A 4 -2.721 10.644 0.517 1.00 0.00 C ATOM 57 SG CYS A 4 -4.009 9.672 1.329 1.00 0.00 S ATOM 0 H CYS A 4 -4.495 12.311 0.503 1.00 0.00 H new ATOM 0 HA CYS A 4 -2.194 12.020 2.123 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.980 10.736 -0.538 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.788 10.082 0.568 1.00 0.00 H new ATOM 62 N THR A 5 -0.116 12.145 0.654 1.00 0.00 N ATOM 63 CA THR A 5 1.160 12.615 0.058 1.00 0.00 C ATOM 64 C THR A 5 1.185 12.299 -1.445 1.00 0.00 C ATOM 65 O THR A 5 1.877 12.956 -2.195 1.00 0.00 O ATOM 66 CB THR A 5 2.287 11.897 0.809 1.00 0.00 C ATOM 67 OG1 THR A 5 2.084 12.230 2.176 1.00 0.00 O ATOM 68 CG2 THR A 5 3.642 12.496 0.490 1.00 0.00 C ATOM 0 H THR A 5 -0.007 11.381 1.321 1.00 0.00 H new ATOM 0 HA THR A 5 1.278 13.694 0.153 1.00 0.00 H new ATOM 0 HB THR A 5 2.271 10.837 0.557 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.774 11.800 2.723 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.415 11.961 1.041 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.834 12.412 -0.580 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.652 13.547 0.779 1.00 0.00 H new ATOM 76 N LEU A 6 0.414 11.299 -1.807 1.00 0.00 N ATOM 77 CA LEU A 6 0.262 10.800 -3.210 1.00 0.00 C ATOM 78 C LEU A 6 1.465 9.958 -3.655 1.00 0.00 C ATOM 79 O LEU A 6 1.285 8.929 -4.277 1.00 0.00 O ATOM 80 CB LEU A 6 0.092 11.992 -4.196 1.00 0.00 C ATOM 81 CG LEU A 6 -0.999 12.996 -3.709 1.00 0.00 C ATOM 82 CD1 LEU A 6 -1.129 14.134 -4.742 1.00 0.00 C ATOM 83 CD2 LEU A 6 -2.370 12.299 -3.544 1.00 0.00 C ATOM 0 H LEU A 6 -0.152 10.777 -1.137 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.627 10.170 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.043 12.513 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.177 11.613 -5.182 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.698 13.391 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.889 14.841 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.173 14.648 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.417 13.718 -5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.109 13.025 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.684 11.883 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.285 11.497 -2.811 1.00 0.00 H new ATOM 95 N ASN A 7 2.653 10.411 -3.331 1.00 0.00 N ATOM 96 CA ASN A 7 3.892 9.687 -3.704 1.00 0.00 C ATOM 97 C ASN A 7 3.887 8.244 -3.199 1.00 0.00 C ATOM 98 O ASN A 7 3.223 7.901 -2.241 1.00 0.00 O ATOM 99 CB ASN A 7 5.113 10.413 -3.122 1.00 0.00 C ATOM 100 CG ASN A 7 5.202 11.828 -3.706 1.00 0.00 C ATOM 101 OD1 ASN A 7 5.909 12.076 -4.661 1.00 0.00 O ATOM 102 ND2 ASN A 7 4.500 12.783 -3.161 1.00 0.00 N ATOM 0 H ASN A 7 2.810 11.274 -2.811 1.00 0.00 H new ATOM 0 HA ASN A 7 3.941 9.667 -4.793 1.00 0.00 H new ATOM 0 HB2 ASN A 7 5.035 10.462 -2.036 1.00 0.00 H new ATOM 0 HB3 ASN A 7 6.022 9.857 -3.352 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.548 13.730 -3.538 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.903 12.583 -2.358 1.00 0.00 H new ATOM 109 N CYS A 8 4.658 7.457 -3.891 1.00 0.00 N ATOM 110 CA CYS A 8 4.803 6.004 -3.576 1.00 0.00 C ATOM 111 C CYS A 8 5.490 5.725 -2.236 1.00 0.00 C ATOM 112 O CYS A 8 6.457 6.373 -1.882 1.00 0.00 O ATOM 113 CB CYS A 8 5.601 5.344 -4.699 1.00 0.00 C ATOM 114 SG CYS A 8 5.751 6.241 -6.262 1.00 0.00 S ATOM 0 H CYS A 8 5.213 7.768 -4.688 1.00 0.00 H new ATOM 0 HA CYS A 8 3.797 5.592 -3.494 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.607 5.149 -4.326 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.146 4.376 -4.910 1.00 0.00 H new ATOM 119 N ASP A 9 4.951 4.758 -1.538 1.00 0.00 N ATOM 120 CA ASP A 9 5.504 4.356 -0.212 1.00 0.00 C ATOM 121 C ASP A 9 6.529 3.225 -0.458 1.00 0.00 C ATOM 122 O ASP A 9 6.144 2.164 -0.914 1.00 0.00 O ATOM 123 CB ASP A 9 4.359 3.857 0.666 1.00 0.00 C ATOM 124 CG ASP A 9 4.927 3.294 1.974 1.00 0.00 C ATOM 125 OD1 ASP A 9 5.183 4.090 2.863 1.00 0.00 O ATOM 126 OD2 ASP A 9 5.073 2.086 2.000 1.00 0.00 O ATOM 0 H ASP A 9 4.137 4.222 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 9 5.990 5.193 0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.667 4.672 0.878 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.793 3.087 0.142 1.00 0.00 H new ATOM 131 N PRO A 10 7.789 3.459 -0.154 1.00 0.00 N ATOM 132 CA PRO A 10 8.895 2.539 -0.557 1.00 0.00 C ATOM 133 C PRO A 10 8.701 1.128 0.011 1.00 0.00 C ATOM 134 O PRO A 10 9.231 0.170 -0.520 1.00 0.00 O ATOM 135 CB PRO A 10 10.186 3.190 -0.051 1.00 0.00 C ATOM 136 CG PRO A 10 9.780 4.380 0.833 1.00 0.00 C ATOM 137 CD PRO A 10 8.281 4.637 0.622 1.00 0.00 C ATOM 0 HA PRO A 10 8.922 2.405 -1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.781 2.474 0.517 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.801 3.524 -0.886 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.986 4.164 1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.359 5.265 0.570 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.759 4.727 1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.113 5.566 0.077 1.00 0.00 H new ATOM 145 N ARG A 11 7.941 1.051 1.074 1.00 0.00 N ATOM 146 CA ARG A 11 7.673 -0.270 1.723 1.00 0.00 C ATOM 147 C ARG A 11 6.678 -1.037 0.848 1.00 0.00 C ATOM 148 O ARG A 11 6.793 -2.236 0.704 1.00 0.00 O ATOM 149 CB ARG A 11 7.043 -0.087 3.121 1.00 0.00 C ATOM 150 CG ARG A 11 7.809 0.968 3.951 1.00 0.00 C ATOM 151 CD ARG A 11 7.038 1.253 5.255 1.00 0.00 C ATOM 152 NE ARG A 11 5.707 1.839 4.896 1.00 0.00 N ATOM 153 CZ ARG A 11 5.046 2.633 5.700 1.00 0.00 C ATOM 154 NH1 ARG A 11 5.525 2.951 6.873 1.00 0.00 N ATOM 155 NH2 ARG A 11 3.897 3.092 5.287 1.00 0.00 N ATOM 0 H ARG A 11 7.492 1.850 1.523 1.00 0.00 H new ATOM 0 HA ARG A 11 8.616 -0.807 1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.002 0.217 3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.045 -1.040 3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.812 0.608 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.924 1.886 3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.907 0.334 5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.599 1.943 5.885 1.00 0.00 H new ATOM 0 HE ARG A 11 5.300 1.610 3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.426 2.579 7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.998 3.571 7.488 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.544 2.829 4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.352 3.713 5.884 1.00 0.00 H new ATOM 169 N ILE A 12 5.738 -0.312 0.287 1.00 0.00 N ATOM 170 CA ILE A 12 4.701 -0.939 -0.586 1.00 0.00 C ATOM 171 C ILE A 12 5.248 -1.292 -1.970 1.00 0.00 C ATOM 172 O ILE A 12 6.035 -0.572 -2.552 1.00 0.00 O ATOM 173 CB ILE A 12 3.503 0.043 -0.685 1.00 0.00 C ATOM 174 CG1 ILE A 12 2.801 -0.027 0.696 1.00 0.00 C ATOM 175 CG2 ILE A 12 2.505 -0.397 -1.802 1.00 0.00 C ATOM 176 CD1 ILE A 12 1.689 0.993 0.809 1.00 0.00 C ATOM 0 H ILE A 12 5.647 0.698 0.400 1.00 0.00 H new ATOM 0 HA ILE A 12 4.379 -1.882 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 12 3.839 1.049 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.395 -1.027 0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.533 0.143 1.486 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.676 0.309 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.020 -0.416 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.122 -1.392 -1.576 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.221 0.914 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.100 1.995 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.944 0.806 0.035 1.00 0.00 H new ATOM 188 N ALA A 13 4.776 -2.423 -2.426 1.00 0.00 N ATOM 189 CA ALA A 13 5.158 -2.983 -3.753 1.00 0.00 C ATOM 190 C ALA A 13 4.007 -2.837 -4.741 1.00 0.00 C ATOM 191 O ALA A 13 4.128 -2.182 -5.757 1.00 0.00 O ATOM 192 CB ALA A 13 5.495 -4.461 -3.593 1.00 0.00 C ATOM 0 H ALA A 13 4.115 -3.003 -1.909 1.00 0.00 H new ATOM 0 HA ALA A 13 6.023 -2.438 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.775 -4.877 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.326 -4.571 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.625 -4.993 -3.208 1.00 0.00 H new ATOM 198 N TYR A 14 2.912 -3.464 -4.397 1.00 0.00 N ATOM 199 CA TYR A 14 1.707 -3.408 -5.282 1.00 0.00 C ATOM 200 C TYR A 14 0.442 -3.665 -4.476 1.00 0.00 C ATOM 201 O TYR A 14 0.511 -3.870 -3.281 1.00 0.00 O ATOM 202 CB TYR A 14 1.854 -4.474 -6.408 1.00 0.00 C ATOM 203 CG TYR A 14 2.132 -5.874 -5.840 1.00 0.00 C ATOM 204 CD1 TYR A 14 3.430 -6.282 -5.603 1.00 0.00 C ATOM 205 CD2 TYR A 14 1.098 -6.744 -5.559 1.00 0.00 C ATOM 206 CE1 TYR A 14 3.692 -7.535 -5.092 1.00 0.00 C ATOM 207 CE2 TYR A 14 1.361 -7.998 -5.048 1.00 0.00 C ATOM 208 CZ TYR A 14 2.657 -8.402 -4.812 1.00 0.00 C ATOM 209 OH TYR A 14 2.914 -9.657 -4.301 1.00 0.00 O ATOM 0 H TYR A 14 2.799 -4.012 -3.544 1.00 0.00 H new ATOM 0 HA TYR A 14 1.631 -2.415 -5.726 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.942 -4.499 -7.005 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.665 -4.186 -7.077 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.249 -5.612 -5.820 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.077 -6.441 -5.740 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.712 -7.839 -4.910 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.543 -8.669 -4.831 1.00 0.00 H new ATOM 0 HH TYR A 14 2.069 -10.133 -4.163 1.00 0.00 H new ATOM 219 N GLY A 15 -0.672 -3.645 -5.164 1.00 0.00 N ATOM 220 CA GLY A 15 -1.983 -3.885 -4.494 1.00 0.00 C ATOM 221 C GLY A 15 -2.928 -4.675 -5.391 1.00 0.00 C ATOM 222 O GLY A 15 -2.803 -4.642 -6.600 1.00 0.00 O ATOM 0 H GLY A 15 -0.728 -3.471 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.824 -4.428 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.440 -2.931 -4.232 1.00 0.00 H new ATOM 226 N VAL A 16 -3.847 -5.360 -4.756 1.00 0.00 N ATOM 227 CA VAL A 16 -4.843 -6.186 -5.525 1.00 0.00 C ATOM 228 C VAL A 16 -6.250 -6.158 -4.900 1.00 0.00 C ATOM 229 O VAL A 16 -6.422 -6.425 -3.726 1.00 0.00 O ATOM 230 CB VAL A 16 -4.319 -7.657 -5.597 1.00 0.00 C ATOM 231 CG1 VAL A 16 -5.420 -8.642 -6.062 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.138 -7.746 -6.583 1.00 0.00 C ATOM 0 H VAL A 16 -3.954 -5.386 -3.742 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.938 -5.757 -6.523 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.004 -7.935 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.013 -9.652 -6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.255 -8.612 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.769 -8.356 -7.054 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.778 -8.774 -6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.467 -7.433 -7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.332 -7.094 -6.246 1.00 0.00 H new ATOM 242 N CYS A 17 -7.202 -5.838 -5.741 1.00 0.00 N ATOM 243 CA CYS A 17 -8.642 -5.755 -5.339 1.00 0.00 C ATOM 244 C CYS A 17 -9.445 -6.878 -6.039 1.00 0.00 C ATOM 245 O CYS A 17 -9.193 -7.164 -7.194 1.00 0.00 O ATOM 246 CB CYS A 17 -9.185 -4.364 -5.740 1.00 0.00 C ATOM 247 SG CYS A 17 -7.992 -3.163 -6.384 1.00 0.00 S ATOM 0 H CYS A 17 -7.034 -5.623 -6.724 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.743 -5.886 -4.262 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.959 -4.508 -6.494 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.668 -3.925 -4.867 1.00 0.00 H new ATOM 252 N PRO A 18 -10.384 -7.482 -5.337 1.00 0.00 N ATOM 253 CA PRO A 18 -11.187 -8.620 -5.877 1.00 0.00 C ATOM 254 C PRO A 18 -12.093 -8.170 -7.034 1.00 0.00 C ATOM 255 O PRO A 18 -12.630 -7.080 -7.014 1.00 0.00 O ATOM 256 CB PRO A 18 -11.991 -9.158 -4.695 1.00 0.00 C ATOM 257 CG PRO A 18 -11.912 -8.100 -3.581 1.00 0.00 C ATOM 258 CD PRO A 18 -10.774 -7.129 -3.936 1.00 0.00 C ATOM 0 HA PRO A 18 -10.548 -9.396 -6.299 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.027 -9.339 -4.983 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.585 -10.110 -4.353 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.858 -7.565 -3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.724 -8.573 -2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.104 -6.093 -3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.932 -7.241 -3.252 1.00 0.00 H new ATOM 266 N ARG A 19 -12.221 -9.045 -8.003 1.00 0.00 N ATOM 267 CA ARG A 19 -13.063 -8.795 -9.221 1.00 0.00 C ATOM 268 C ARG A 19 -12.792 -7.421 -9.858 1.00 0.00 C ATOM 269 O ARG A 19 -13.665 -6.802 -10.439 1.00 0.00 O ATOM 270 CB ARG A 19 -14.567 -8.917 -8.821 1.00 0.00 C ATOM 271 CG ARG A 19 -14.826 -10.179 -7.957 1.00 0.00 C ATOM 272 CD ARG A 19 -14.428 -11.461 -8.724 1.00 0.00 C ATOM 273 NE ARG A 19 -14.739 -12.647 -7.867 1.00 0.00 N ATOM 274 CZ ARG A 19 -15.952 -13.137 -7.775 1.00 0.00 C ATOM 275 NH1 ARG A 19 -16.943 -12.600 -8.436 1.00 0.00 N ATOM 276 NH2 ARG A 19 -16.136 -14.175 -7.006 1.00 0.00 N ATOM 0 H ARG A 19 -11.760 -9.955 -8.000 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.802 -9.541 -9.972 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -14.871 -8.028 -8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -15.181 -8.958 -9.720 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.257 -10.113 -7.030 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.880 -10.227 -7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.972 -11.522 -9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -13.366 -11.440 -8.970 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.986 -13.087 -7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.778 -11.789 -9.033 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -17.881 -12.991 -8.355 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.349 -14.580 -6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -17.067 -14.581 -6.912 1.00 0.00 H new ATOM 290 N SER A 20 -11.563 -7.003 -9.718 1.00 0.00 N ATOM 291 CA SER A 20 -11.097 -5.693 -10.265 1.00 0.00 C ATOM 292 C SER A 20 -9.599 -5.856 -10.531 1.00 0.00 C ATOM 293 O SER A 20 -8.791 -5.702 -9.635 1.00 0.00 O ATOM 294 CB SER A 20 -11.350 -4.582 -9.224 1.00 0.00 C ATOM 295 OG SER A 20 -12.759 -4.563 -9.041 1.00 0.00 O ATOM 0 H SER A 20 -10.839 -7.532 -9.232 1.00 0.00 H new ATOM 0 HA SER A 20 -11.626 -5.416 -11.177 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.833 -4.793 -8.288 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.985 -3.618 -9.579 1.00 0.00 H new ATOM 0 HG SER A 20 -12.994 -3.875 -8.384 1.00 0.00 H new ATOM 301 N GLU A 21 -9.307 -6.170 -11.771 1.00 0.00 N ATOM 302 CA GLU A 21 -7.912 -6.389 -12.287 1.00 0.00 C ATOM 303 C GLU A 21 -7.418 -7.759 -11.801 1.00 0.00 C ATOM 304 O GLU A 21 -7.227 -8.656 -12.601 1.00 0.00 O ATOM 305 CB GLU A 21 -6.934 -5.270 -11.776 1.00 0.00 C ATOM 306 CG GLU A 21 -7.489 -3.858 -12.093 1.00 0.00 C ATOM 307 CD GLU A 21 -7.756 -3.712 -13.602 1.00 0.00 C ATOM 308 OE1 GLU A 21 -6.793 -3.447 -14.304 1.00 0.00 O ATOM 309 OE2 GLU A 21 -8.910 -3.873 -13.966 1.00 0.00 O ATOM 0 H GLU A 21 -10.022 -6.290 -12.489 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.930 -6.351 -13.376 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.787 -5.374 -10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.958 -5.394 -12.244 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.411 -3.689 -11.536 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.777 -3.099 -11.768 1.00 0.00 H new ATOM 316 N GLU A 22 -7.228 -7.877 -10.509 1.00 0.00 N ATOM 317 CA GLU A 22 -6.751 -9.148 -9.879 1.00 0.00 C ATOM 318 C GLU A 22 -5.503 -9.703 -10.592 1.00 0.00 C ATOM 319 O GLU A 22 -5.534 -10.722 -11.258 1.00 0.00 O ATOM 320 CB GLU A 22 -7.946 -10.156 -9.913 1.00 0.00 C ATOM 321 CG GLU A 22 -8.044 -10.877 -8.555 1.00 0.00 C ATOM 322 CD GLU A 22 -9.245 -11.838 -8.582 1.00 0.00 C ATOM 323 OE1 GLU A 22 -9.031 -12.967 -8.995 1.00 0.00 O ATOM 324 OE2 GLU A 22 -10.310 -11.390 -8.188 1.00 0.00 O ATOM 0 H GLU A 22 -7.389 -7.120 -9.845 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.441 -8.971 -8.849 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.876 -9.628 -10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.802 -10.882 -10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.125 -11.428 -8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.161 -10.151 -7.751 1.00 0.00 H new ATOM 331 N LYS A 23 -4.427 -8.980 -10.414 1.00 0.00 N ATOM 332 CA LYS A 23 -3.116 -9.337 -11.017 1.00 0.00 C ATOM 333 C LYS A 23 -2.008 -8.758 -10.133 1.00 0.00 C ATOM 334 O LYS A 23 -2.114 -7.640 -9.668 1.00 0.00 O ATOM 335 CB LYS A 23 -3.101 -8.758 -12.463 1.00 0.00 C ATOM 336 CG LYS A 23 -1.703 -8.839 -13.133 1.00 0.00 C ATOM 337 CD LYS A 23 -0.880 -7.564 -12.807 1.00 0.00 C ATOM 338 CE LYS A 23 0.518 -7.671 -13.415 1.00 0.00 C ATOM 339 NZ LYS A 23 0.446 -7.779 -14.900 1.00 0.00 N ATOM 0 H LYS A 23 -4.408 -8.127 -9.855 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.954 -10.413 -11.076 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.823 -9.301 -13.074 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.425 -7.718 -12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.173 -9.724 -12.780 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.814 -8.943 -14.212 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.389 -6.683 -13.199 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.806 -7.436 -11.727 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.107 -6.797 -13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.030 -8.543 -13.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.389 -7.613 -15.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.118 -8.730 -15.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.219 -7.069 -15.268 1.00 0.00 H new ATOM 353 N LYS A 24 -0.978 -9.542 -9.932 1.00 0.00 N ATOM 354 CA LYS A 24 0.170 -9.091 -9.085 1.00 0.00 C ATOM 355 C LYS A 24 1.479 -9.658 -9.651 1.00 0.00 C ATOM 356 O LYS A 24 1.899 -10.751 -9.320 1.00 0.00 O ATOM 357 CB LYS A 24 -0.017 -9.575 -7.607 1.00 0.00 C ATOM 358 CG LYS A 24 -1.059 -10.712 -7.468 1.00 0.00 C ATOM 359 CD LYS A 24 -1.182 -11.085 -5.976 1.00 0.00 C ATOM 360 CE LYS A 24 -2.248 -12.176 -5.805 1.00 0.00 C ATOM 361 NZ LYS A 24 -2.380 -12.525 -4.362 1.00 0.00 N ATOM 0 H LYS A 24 -0.882 -10.480 -10.320 1.00 0.00 H new ATOM 0 HA LYS A 24 0.207 -8.002 -9.095 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.942 -9.920 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.325 -8.730 -6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.024 -10.391 -7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.752 -11.580 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.222 -11.438 -5.598 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.451 -10.205 -5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.205 -11.828 -6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.973 -13.060 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.103 -13.264 -4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.468 -12.874 -4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.662 -11.680 -3.825 1.00 0.00 H new ATOM 375 N ASN A 25 2.075 -8.869 -10.504 1.00 0.00 N ATOM 376 CA ASN A 25 3.364 -9.235 -11.165 1.00 0.00 C ATOM 377 C ASN A 25 4.009 -7.943 -11.699 1.00 0.00 C ATOM 378 O ASN A 25 4.745 -7.943 -12.669 1.00 0.00 O ATOM 379 CB ASN A 25 3.064 -10.245 -12.316 1.00 0.00 C ATOM 380 CG ASN A 25 3.466 -11.653 -11.860 1.00 0.00 C ATOM 381 OD1 ASN A 25 2.633 -12.483 -11.553 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.733 -11.960 -11.806 1.00 0.00 N ATOM 0 H ASN A 25 1.711 -7.957 -10.779 1.00 0.00 H new ATOM 0 HA ASN A 25 4.055 -9.709 -10.468 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.005 -10.220 -12.573 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.616 -9.968 -13.214 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.020 -12.892 -11.507 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.437 -11.268 -12.062 1.00 0.00 H new ATOM 389 N ASP A 26 3.694 -6.868 -11.018 1.00 0.00 N ATOM 390 CA ASP A 26 4.216 -5.517 -11.373 1.00 0.00 C ATOM 391 C ASP A 26 4.213 -4.729 -10.058 1.00 0.00 C ATOM 392 O ASP A 26 3.160 -4.410 -9.541 1.00 0.00 O ATOM 393 CB ASP A 26 3.276 -4.856 -12.401 1.00 0.00 C ATOM 394 CG ASP A 26 3.903 -4.954 -13.800 1.00 0.00 C ATOM 395 OD1 ASP A 26 4.680 -4.067 -14.116 1.00 0.00 O ATOM 396 OD2 ASP A 26 3.568 -5.916 -14.472 1.00 0.00 O ATOM 0 H ASP A 26 3.077 -6.875 -10.206 1.00 0.00 H new ATOM 0 HA ASP A 26 5.211 -5.555 -11.817 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.304 -5.348 -12.391 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.108 -3.812 -12.138 1.00 0.00 H new ATOM 401 N ARG A 27 5.388 -4.442 -9.556 1.00 0.00 N ATOM 402 CA ARG A 27 5.491 -3.680 -8.276 1.00 0.00 C ATOM 403 C ARG A 27 5.359 -2.188 -8.631 1.00 0.00 C ATOM 404 O ARG A 27 6.336 -1.481 -8.784 1.00 0.00 O ATOM 405 CB ARG A 27 6.867 -4.046 -7.635 1.00 0.00 C ATOM 406 CG ARG A 27 7.242 -3.114 -6.453 1.00 0.00 C ATOM 407 CD ARG A 27 8.500 -2.266 -6.728 1.00 0.00 C ATOM 408 NE ARG A 27 8.881 -1.583 -5.448 1.00 0.00 N ATOM 409 CZ ARG A 27 8.193 -0.582 -4.952 1.00 0.00 C ATOM 410 NH1 ARG A 27 7.133 -0.130 -5.566 1.00 0.00 N ATOM 411 NH2 ARG A 27 8.597 -0.059 -3.827 1.00 0.00 N ATOM 0 H ARG A 27 6.279 -4.703 -9.978 1.00 0.00 H new ATOM 0 HA ARG A 27 4.713 -3.920 -7.551 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.837 -5.077 -7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.645 -3.991 -8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.403 -2.451 -6.241 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.406 -3.717 -5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.316 -2.896 -7.082 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.303 -1.532 -7.509 1.00 0.00 H new ATOM 0 HE ARG A 27 9.706 -1.909 -4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.831 -0.556 -6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.607 0.649 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.425 -0.430 -3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.085 0.720 -3.414 1.00 0.00 H new ATOM 425 N ILE A 28 4.125 -1.761 -8.758 1.00 0.00 N ATOM 426 CA ILE A 28 3.822 -0.344 -9.101 1.00 0.00 C ATOM 427 C ILE A 28 4.345 0.600 -8.004 1.00 0.00 C ATOM 428 O ILE A 28 4.779 0.175 -6.951 1.00 0.00 O ATOM 429 CB ILE A 28 2.275 -0.124 -9.256 1.00 0.00 C ATOM 430 CG1 ILE A 28 1.500 -1.406 -9.701 1.00 0.00 C ATOM 431 CG2 ILE A 28 2.016 0.924 -10.334 1.00 0.00 C ATOM 432 CD1 ILE A 28 1.011 -2.159 -8.466 1.00 0.00 C ATOM 0 H ILE A 28 3.302 -2.351 -8.635 1.00 0.00 H new ATOM 0 HA ILE A 28 4.317 -0.122 -10.047 1.00 0.00 H new ATOM 0 HB ILE A 28 1.922 0.178 -8.270 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.654 -1.132 -10.332 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.148 -2.047 -10.298 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.942 1.077 -10.442 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.490 1.864 -10.049 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.431 0.581 -11.282 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.470 -3.053 -8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.865 -2.446 -7.853 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.348 -1.516 -7.887 1.00 0.00 H new ATOM 444 N CYS A 29 4.271 1.866 -8.308 1.00 0.00 N ATOM 445 CA CYS A 29 4.733 2.937 -7.378 1.00 0.00 C ATOM 446 C CYS A 29 3.461 3.549 -6.753 1.00 0.00 C ATOM 447 O CYS A 29 2.770 4.320 -7.391 1.00 0.00 O ATOM 448 CB CYS A 29 5.537 3.949 -8.228 1.00 0.00 C ATOM 449 SG CYS A 29 6.800 4.960 -7.418 1.00 0.00 S ATOM 0 H CYS A 29 3.897 2.214 -9.191 1.00 0.00 H new ATOM 0 HA CYS A 29 5.378 2.588 -6.572 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.023 3.393 -9.030 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.823 4.626 -8.697 1.00 0.00 H new ATOM 454 N THR A 30 3.189 3.183 -5.522 1.00 0.00 N ATOM 455 CA THR A 30 1.978 3.704 -4.805 1.00 0.00 C ATOM 456 C THR A 30 2.139 3.579 -3.277 1.00 0.00 C ATOM 457 O THR A 30 3.022 2.893 -2.797 1.00 0.00 O ATOM 458 CB THR A 30 0.743 2.895 -5.306 1.00 0.00 C ATOM 459 OG1 THR A 30 -0.376 3.417 -4.600 1.00 0.00 O ATOM 460 CG2 THR A 30 0.809 1.406 -4.892 1.00 0.00 C ATOM 0 H THR A 30 3.761 2.538 -4.977 1.00 0.00 H new ATOM 0 HA THR A 30 1.844 4.764 -5.020 1.00 0.00 H new ATOM 0 HB THR A 30 0.695 2.972 -6.392 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.188 2.944 -4.878 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.073 0.885 -5.264 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.705 0.950 -5.314 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.842 1.332 -3.805 1.00 0.00 H new ATOM 468 N ASN A 31 1.264 4.257 -2.573 1.00 0.00 N ATOM 469 CA ASN A 31 1.274 4.247 -1.076 1.00 0.00 C ATOM 470 C ASN A 31 -0.093 3.843 -0.503 1.00 0.00 C ATOM 471 O ASN A 31 -1.099 3.899 -1.184 1.00 0.00 O ATOM 472 CB ASN A 31 1.657 5.654 -0.552 1.00 0.00 C ATOM 473 CG ASN A 31 0.773 6.747 -1.129 1.00 0.00 C ATOM 474 OD1 ASN A 31 0.639 6.899 -2.327 1.00 0.00 O ATOM 475 ND2 ASN A 31 0.156 7.537 -0.304 1.00 0.00 N ATOM 0 H ASN A 31 0.527 4.830 -2.984 1.00 0.00 H new ATOM 0 HA ASN A 31 2.008 3.510 -0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.583 5.666 0.535 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.697 5.861 -0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.440 8.283 -0.662 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.267 7.411 0.702 1.00 0.00 H new ATOM 482 N CYS A 32 -0.065 3.447 0.746 1.00 0.00 N ATOM 483 CA CYS A 32 -1.305 3.016 1.466 1.00 0.00 C ATOM 484 C CYS A 32 -2.368 4.113 1.588 1.00 0.00 C ATOM 485 O CYS A 32 -3.525 3.872 1.304 1.00 0.00 O ATOM 486 CB CYS A 32 -0.930 2.531 2.884 1.00 0.00 C ATOM 487 SG CYS A 32 -2.305 2.382 4.052 1.00 0.00 S ATOM 0 H CYS A 32 0.784 3.403 1.309 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.742 2.217 0.867 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.443 1.560 2.799 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.196 3.220 3.301 1.00 0.00 H new ATOM 492 N CYS A 33 -1.954 5.284 2.004 1.00 0.00 N ATOM 493 CA CYS A 33 -2.922 6.414 2.159 1.00 0.00 C ATOM 494 C CYS A 33 -3.642 6.688 0.832 1.00 0.00 C ATOM 495 O CYS A 33 -4.856 6.749 0.791 1.00 0.00 O ATOM 496 CB CYS A 33 -2.156 7.658 2.609 1.00 0.00 C ATOM 497 SG CYS A 33 -3.138 9.109 3.061 1.00 0.00 S ATOM 0 H CYS A 33 -0.988 5.507 2.243 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.673 6.152 2.904 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.541 7.385 3.466 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.476 7.946 1.807 1.00 0.00 H new ATOM 502 N ALA A 34 -2.863 6.843 -0.211 1.00 0.00 N ATOM 503 CA ALA A 34 -3.450 7.112 -1.563 1.00 0.00 C ATOM 504 C ALA A 34 -4.160 5.848 -2.073 1.00 0.00 C ATOM 505 O ALA A 34 -4.999 5.920 -2.950 1.00 0.00 O ATOM 506 CB ALA A 34 -2.337 7.491 -2.537 1.00 0.00 C ATOM 0 H ALA A 34 -1.844 6.795 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.166 7.931 -1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.765 7.686 -3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.829 8.386 -2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.622 6.672 -2.609 1.00 0.00 H new ATOM 512 N GLY A 35 -3.783 4.734 -1.492 1.00 0.00 N ATOM 513 CA GLY A 35 -4.355 3.401 -1.844 1.00 0.00 C ATOM 514 C GLY A 35 -5.889 3.428 -1.894 1.00 0.00 C ATOM 515 O GLY A 35 -6.509 4.258 -1.256 1.00 0.00 O ATOM 0 H GLY A 35 -3.074 4.697 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.966 3.084 -2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.029 2.662 -1.112 1.00 0.00 H new ATOM 519 N THR A 36 -6.455 2.519 -2.649 1.00 0.00 N ATOM 520 CA THR A 36 -7.943 2.456 -2.775 1.00 0.00 C ATOM 521 C THR A 36 -8.550 1.505 -1.738 1.00 0.00 C ATOM 522 O THR A 36 -7.863 0.808 -1.018 1.00 0.00 O ATOM 523 CB THR A 36 -8.347 1.943 -4.173 1.00 0.00 C ATOM 524 OG1 THR A 36 -7.350 2.399 -5.077 1.00 0.00 O ATOM 525 CG2 THR A 36 -9.629 2.598 -4.732 1.00 0.00 C ATOM 0 H THR A 36 -5.948 1.815 -3.185 1.00 0.00 H new ATOM 0 HA THR A 36 -8.318 3.467 -2.614 1.00 0.00 H new ATOM 0 HB THR A 36 -8.480 0.865 -4.081 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.568 1.810 -5.026 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.848 2.186 -5.717 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.463 2.396 -4.060 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.482 3.675 -4.814 1.00 0.00 H new ATOM 533 N LYS A 37 -9.853 1.521 -1.731 1.00 0.00 N ATOM 534 CA LYS A 37 -10.653 0.669 -0.802 1.00 0.00 C ATOM 535 C LYS A 37 -10.918 -0.655 -1.538 1.00 0.00 C ATOM 536 O LYS A 37 -11.137 -0.660 -2.735 1.00 0.00 O ATOM 537 CB LYS A 37 -11.966 1.441 -0.464 1.00 0.00 C ATOM 538 CG LYS A 37 -13.178 0.494 -0.242 1.00 0.00 C ATOM 539 CD LYS A 37 -14.430 1.296 0.199 1.00 0.00 C ATOM 540 CE LYS A 37 -14.872 2.304 -0.886 1.00 0.00 C ATOM 541 NZ LYS A 37 -15.147 1.597 -2.169 1.00 0.00 N ATOM 0 H LYS A 37 -10.415 2.107 -2.349 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.145 0.452 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.810 2.041 0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.195 2.133 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.394 -0.049 -1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.931 -0.249 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.248 0.607 0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.214 1.829 1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.765 2.834 -0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.094 3.052 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.662 2.232 -2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.248 1.314 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.723 0.751 -1.983 1.00 0.00 H new ATOM 555 N GLY A 38 -10.885 -1.734 -0.798 1.00 0.00 N ATOM 556 CA GLY A 38 -11.123 -3.085 -1.390 1.00 0.00 C ATOM 557 C GLY A 38 -9.788 -3.704 -1.814 1.00 0.00 C ATOM 558 O GLY A 38 -9.569 -4.888 -1.641 1.00 0.00 O ATOM 0 H GLY A 38 -10.701 -1.736 0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.619 -3.729 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.787 -3.004 -2.250 1.00 0.00 H new ATOM 562 N CYS A 39 -8.934 -2.873 -2.362 1.00 0.00 N ATOM 563 CA CYS A 39 -7.594 -3.338 -2.819 1.00 0.00 C ATOM 564 C CYS A 39 -6.740 -3.605 -1.583 1.00 0.00 C ATOM 565 O CYS A 39 -6.951 -2.994 -0.556 1.00 0.00 O ATOM 566 CB CYS A 39 -6.987 -2.250 -3.686 1.00 0.00 C ATOM 567 SG CYS A 39 -8.047 -1.665 -5.030 1.00 0.00 S ATOM 0 H CYS A 39 -9.115 -1.880 -2.512 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.659 -4.255 -3.405 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.729 -1.402 -3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.056 -2.623 -4.113 1.00 0.00 H new ATOM 572 N LYS A 40 -5.809 -4.505 -1.736 1.00 0.00 N ATOM 573 CA LYS A 40 -4.886 -4.899 -0.624 1.00 0.00 C ATOM 574 C LYS A 40 -3.459 -4.610 -1.071 1.00 0.00 C ATOM 575 O LYS A 40 -2.951 -5.298 -1.933 1.00 0.00 O ATOM 576 CB LYS A 40 -5.093 -6.400 -0.339 1.00 0.00 C ATOM 577 CG LYS A 40 -6.578 -6.641 0.022 1.00 0.00 C ATOM 578 CD LYS A 40 -6.830 -8.148 0.225 1.00 0.00 C ATOM 579 CE LYS A 40 -8.330 -8.390 0.489 1.00 0.00 C ATOM 580 NZ LYS A 40 -9.144 -7.911 -0.667 1.00 0.00 N ATOM 0 H LYS A 40 -5.642 -5.001 -2.611 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.086 -4.340 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.817 -6.991 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.449 -6.721 0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.834 -6.095 0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.221 -6.259 -0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.512 -8.703 -0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.239 -8.516 1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.510 -9.452 0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.635 -7.870 1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.079 -8.366 -0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.260 -6.879 -0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.661 -8.154 -1.556 1.00 0.00 H new ATOM 594 N TYR A 41 -2.858 -3.608 -0.475 1.00 0.00 N ATOM 595 CA TYR A 41 -1.471 -3.209 -0.813 1.00 0.00 C ATOM 596 C TYR A 41 -0.421 -3.882 0.080 1.00 0.00 C ATOM 597 O TYR A 41 -0.397 -3.668 1.278 1.00 0.00 O ATOM 598 CB TYR A 41 -1.377 -1.689 -0.680 1.00 0.00 C ATOM 599 CG TYR A 41 -2.302 -1.012 -1.702 1.00 0.00 C ATOM 600 CD1 TYR A 41 -3.618 -0.732 -1.384 1.00 0.00 C ATOM 601 CD2 TYR A 41 -1.829 -0.674 -2.956 1.00 0.00 C ATOM 602 CE1 TYR A 41 -4.446 -0.126 -2.304 1.00 0.00 C ATOM 603 CE2 TYR A 41 -2.659 -0.068 -3.875 1.00 0.00 C ATOM 604 CZ TYR A 41 -3.972 0.210 -3.556 1.00 0.00 C ATOM 605 OH TYR A 41 -4.797 0.813 -4.482 1.00 0.00 O ATOM 0 H TYR A 41 -3.292 -3.039 0.252 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.256 -3.534 -1.831 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.655 -1.387 0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.348 -1.365 -0.838 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.000 -0.990 -0.407 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.803 -0.886 -3.218 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.472 0.087 -2.044 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.278 0.191 -4.852 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.296 0.979 -5.308 1.00 0.00 H new ATOM 615 N PHE A 42 0.399 -4.676 -0.571 1.00 0.00 N ATOM 616 CA PHE A 42 1.505 -5.436 0.070 1.00 0.00 C ATOM 617 C PHE A 42 2.874 -4.966 -0.421 1.00 0.00 C ATOM 618 O PHE A 42 3.016 -4.476 -1.529 1.00 0.00 O ATOM 619 CB PHE A 42 1.408 -6.937 -0.252 1.00 0.00 C ATOM 620 CG PHE A 42 0.146 -7.312 -1.031 1.00 0.00 C ATOM 621 CD1 PHE A 42 -0.009 -6.981 -2.364 1.00 0.00 C ATOM 622 CD2 PHE A 42 -0.851 -8.002 -0.378 1.00 0.00 C ATOM 623 CE1 PHE A 42 -1.163 -7.346 -3.031 1.00 0.00 C ATOM 624 CE2 PHE A 42 -2.000 -8.365 -1.039 1.00 0.00 C ATOM 625 CZ PHE A 42 -2.156 -8.038 -2.366 1.00 0.00 C ATOM 0 H PHE A 42 0.334 -4.830 -1.577 1.00 0.00 H new ATOM 0 HA PHE A 42 1.406 -5.261 1.141 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.284 -7.234 -0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.433 -7.503 0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.769 -6.439 -2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.729 -8.260 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.288 -7.090 -4.073 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.777 -8.905 -0.519 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.057 -8.323 -2.889 1.00 0.00 H new ATOM 635 N SER A 43 3.816 -5.163 0.470 1.00 0.00 N ATOM 636 CA SER A 43 5.237 -4.812 0.268 1.00 0.00 C ATOM 637 C SER A 43 5.951 -5.709 -0.745 1.00 0.00 C ATOM 638 O SER A 43 5.382 -6.614 -1.325 1.00 0.00 O ATOM 639 CB SER A 43 5.924 -4.917 1.611 1.00 0.00 C ATOM 640 OG SER A 43 5.262 -4.002 2.466 1.00 0.00 O ATOM 0 H SER A 43 3.631 -5.580 1.382 1.00 0.00 H new ATOM 0 HA SER A 43 5.283 -3.803 -0.142 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.860 -5.932 2.003 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.983 -4.674 1.526 1.00 0.00 H new ATOM 0 HG SER A 43 5.496 -3.086 2.209 1.00 0.00 H new ATOM 646 N ASP A 44 7.212 -5.393 -0.898 1.00 0.00 N ATOM 647 CA ASP A 44 8.119 -6.123 -1.837 1.00 0.00 C ATOM 648 C ASP A 44 8.670 -7.397 -1.198 1.00 0.00 C ATOM 649 O ASP A 44 8.767 -8.424 -1.844 1.00 0.00 O ATOM 650 CB ASP A 44 9.283 -5.180 -2.229 1.00 0.00 C ATOM 651 CG ASP A 44 9.567 -5.261 -3.741 1.00 0.00 C ATOM 652 OD1 ASP A 44 9.818 -6.366 -4.196 1.00 0.00 O ATOM 653 OD2 ASP A 44 9.517 -4.209 -4.357 1.00 0.00 O ATOM 0 H ASP A 44 7.666 -4.632 -0.393 1.00 0.00 H new ATOM 0 HA ASP A 44 7.554 -6.417 -2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.034 -4.155 -1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.180 -5.450 -1.671 1.00 0.00 H new ATOM 658 N ASP A 45 9.014 -7.282 0.059 1.00 0.00 N ATOM 659 CA ASP A 45 9.572 -8.443 0.822 1.00 0.00 C ATOM 660 C ASP A 45 8.504 -9.517 1.100 1.00 0.00 C ATOM 661 O ASP A 45 8.794 -10.528 1.710 1.00 0.00 O ATOM 662 CB ASP A 45 10.153 -7.914 2.149 1.00 0.00 C ATOM 663 CG ASP A 45 9.027 -7.362 3.046 1.00 0.00 C ATOM 664 OD1 ASP A 45 8.528 -6.297 2.721 1.00 0.00 O ATOM 665 OD2 ASP A 45 8.728 -8.046 4.009 1.00 0.00 O ATOM 0 H ASP A 45 8.931 -6.420 0.598 1.00 0.00 H new ATOM 0 HA ASP A 45 10.349 -8.918 0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.680 -8.715 2.668 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.883 -7.130 1.947 1.00 0.00 H new ATOM 670 N GLY A 46 7.300 -9.264 0.646 1.00 0.00 N ATOM 671 CA GLY A 46 6.180 -10.208 0.842 1.00 0.00 C ATOM 672 C GLY A 46 5.609 -10.039 2.246 1.00 0.00 C ATOM 673 O GLY A 46 5.674 -10.937 3.061 1.00 0.00 O ATOM 0 H GLY A 46 7.051 -8.417 0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.404 -10.027 0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.525 -11.232 0.699 1.00 0.00 H new ATOM 677 N THR A 47 5.064 -8.869 2.466 1.00 0.00 N ATOM 678 CA THR A 47 4.455 -8.506 3.762 1.00 0.00 C ATOM 679 C THR A 47 3.385 -7.432 3.534 1.00 0.00 C ATOM 680 O THR A 47 3.682 -6.301 3.202 1.00 0.00 O ATOM 681 CB THR A 47 5.557 -7.980 4.692 1.00 0.00 C ATOM 682 OG1 THR A 47 6.373 -9.109 4.973 1.00 0.00 O ATOM 683 CG2 THR A 47 5.014 -7.548 6.068 1.00 0.00 C ATOM 0 H THR A 47 5.020 -8.129 1.766 1.00 0.00 H new ATOM 0 HA THR A 47 3.984 -9.376 4.220 1.00 0.00 H new ATOM 0 HB THR A 47 6.048 -7.133 4.213 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.293 -8.926 4.690 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.835 -7.184 6.685 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.280 -6.753 5.936 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.542 -8.400 6.557 1.00 0.00 H new ATOM 691 N PHE A 48 2.161 -7.847 3.730 1.00 0.00 N ATOM 692 CA PHE A 48 0.983 -6.947 3.559 1.00 0.00 C ATOM 693 C PHE A 48 1.094 -5.655 4.385 1.00 0.00 C ATOM 694 O PHE A 48 1.469 -5.689 5.541 1.00 0.00 O ATOM 695 CB PHE A 48 -0.272 -7.748 3.959 1.00 0.00 C ATOM 696 CG PHE A 48 -1.482 -6.810 4.056 1.00 0.00 C ATOM 697 CD1 PHE A 48 -2.054 -6.255 2.926 1.00 0.00 C ATOM 698 CD2 PHE A 48 -2.005 -6.508 5.299 1.00 0.00 C ATOM 699 CE1 PHE A 48 -3.135 -5.409 3.041 1.00 0.00 C ATOM 700 CE2 PHE A 48 -3.082 -5.664 5.416 1.00 0.00 C ATOM 701 CZ PHE A 48 -3.645 -5.116 4.289 1.00 0.00 C ATOM 0 H PHE A 48 1.923 -8.799 4.009 1.00 0.00 H new ATOM 0 HA PHE A 48 0.929 -6.625 2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.465 -8.529 3.224 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.108 -8.244 4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.652 -6.485 1.950 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.563 -6.939 6.185 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.582 -4.977 2.158 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.485 -5.432 6.391 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.492 -4.452 4.381 1.00 0.00 H new ATOM 711 N VAL A 49 0.757 -4.561 3.745 1.00 0.00 N ATOM 712 CA VAL A 49 0.810 -3.224 4.418 1.00 0.00 C ATOM 713 C VAL A 49 -0.611 -2.759 4.784 1.00 0.00 C ATOM 714 O VAL A 49 -0.901 -2.663 5.961 1.00 0.00 O ATOM 715 CB VAL A 49 1.486 -2.194 3.465 1.00 0.00 C ATOM 716 CG1 VAL A 49 1.666 -0.838 4.193 1.00 0.00 C ATOM 717 CG2 VAL A 49 2.868 -2.725 3.063 1.00 0.00 C ATOM 0 H VAL A 49 0.444 -4.537 2.774 1.00 0.00 H new ATOM 0 HA VAL A 49 1.394 -3.303 5.335 1.00 0.00 H new ATOM 0 HB VAL A 49 0.860 -2.052 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.139 -0.124 3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.692 -0.457 4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.294 -0.978 5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.352 -2.012 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.480 -2.859 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.756 -3.682 2.553 1.00 0.00 H new ATOM 727 N CYS A 50 -1.464 -2.485 3.819 1.00 0.00 N ATOM 728 CA CYS A 50 -2.852 -2.031 4.198 1.00 0.00 C ATOM 729 C CYS A 50 -3.772 -2.118 2.982 1.00 0.00 C ATOM 730 O CYS A 50 -3.285 -2.137 1.871 1.00 0.00 O ATOM 731 CB CYS A 50 -2.871 -0.559 4.674 1.00 0.00 C ATOM 732 SG CYS A 50 -3.302 0.725 3.469 1.00 0.00 S ATOM 0 H CYS A 50 -1.273 -2.552 2.819 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.186 -2.680 5.007 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.574 -0.486 5.504 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.883 -0.325 5.071 1.00 0.00 H new ATOM 737 N GLU A 51 -5.065 -2.163 3.206 1.00 0.00 N ATOM 738 CA GLU A 51 -6.024 -2.244 2.070 1.00 0.00 C ATOM 739 C GLU A 51 -6.503 -0.837 1.676 1.00 0.00 C ATOM 740 O GLU A 51 -7.687 -0.560 1.605 1.00 0.00 O ATOM 741 CB GLU A 51 -7.235 -3.138 2.489 1.00 0.00 C ATOM 742 CG GLU A 51 -6.885 -4.190 3.554 1.00 0.00 C ATOM 743 CD GLU A 51 -8.135 -5.031 3.855 1.00 0.00 C ATOM 744 OE1 GLU A 51 -8.317 -6.006 3.144 1.00 0.00 O ATOM 745 OE2 GLU A 51 -8.839 -4.654 4.778 1.00 0.00 O ATOM 0 H GLU A 51 -5.493 -2.147 4.132 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.530 -2.687 1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.032 -2.500 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.625 -3.643 1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.077 -4.830 3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.531 -3.703 4.463 1.00 0.00 H new ATOM 752 N GLY A 52 -5.522 -0.004 1.422 1.00 0.00 N ATOM 753 CA GLY A 52 -5.734 1.425 1.019 1.00 0.00 C ATOM 754 C GLY A 52 -6.967 2.054 1.687 1.00 0.00 C ATOM 755 O GLY A 52 -7.146 1.864 2.872 1.00 0.00 O ATOM 0 H GLY A 52 -4.539 -0.269 1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.849 2.006 1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.845 1.480 -0.064 1.00 0.00 H new ATOM 759 N GLU A 53 -7.733 2.768 0.889 1.00 0.00 N ATOM 760 CA GLU A 53 -9.001 3.488 1.269 1.00 0.00 C ATOM 761 C GLU A 53 -9.101 4.811 0.493 1.00 0.00 C ATOM 762 O GLU A 53 -8.956 5.882 1.055 1.00 0.00 O ATOM 763 CB GLU A 53 -9.067 3.805 2.813 1.00 0.00 C ATOM 764 CG GLU A 53 -9.758 2.629 3.552 1.00 0.00 C ATOM 765 CD GLU A 53 -9.560 2.800 5.066 1.00 0.00 C ATOM 766 OE1 GLU A 53 -10.409 3.443 5.663 1.00 0.00 O ATOM 767 OE2 GLU A 53 -8.565 2.275 5.540 1.00 0.00 O ATOM 0 H GLU A 53 -7.506 2.888 -0.098 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.831 2.828 1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.062 3.957 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.619 4.730 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.821 2.607 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.337 1.679 3.223 1.00 0.00 H new ATOM 774 N SER A 54 -9.340 4.709 -0.793 1.00 0.00 N ATOM 775 CA SER A 54 -9.457 5.962 -1.614 1.00 0.00 C ATOM 776 C SER A 54 -10.650 6.813 -1.125 1.00 0.00 C ATOM 777 O SER A 54 -10.447 8.010 -1.009 1.00 0.00 O ATOM 778 CB SER A 54 -9.664 5.602 -3.099 1.00 0.00 C ATOM 779 OG SER A 54 -9.880 6.843 -3.757 1.00 0.00 O ATOM 0 H SER A 54 -9.457 3.834 -1.303 1.00 0.00 H new ATOM 0 HA SER A 54 -8.537 6.536 -1.503 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.793 5.088 -3.505 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.516 4.935 -3.227 1.00 0.00 H new ATOM 0 HG SER A 54 -10.019 6.686 -4.714 1.00 0.00 H new TER 785 SER A 54