USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 444 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ -133:sc= 0 (180deg=-0.0301) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.305! C(o=-0.3!,f=-13!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -172:sc= -2.36! USER MOD Single : A 41 LYS NZ :NH3+ -144:sc= 0.285 (180deg=0.0095) USER MOD Single : A 43 ASN : amide:sc= -0.634 K(o=-0.63,f=-10!) USER MOD Single : A 44 ASN : amide:sc= -3.56! C(o=-3.6!,f=-6.9!) USER MOD Single : A 46 LYS NZ :NH3+ -134:sc= -0.253 (180deg=-1.03) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 134:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -6.545 -14.779 -1.197 1.00 0.00 N ATOM 2 CA ARG A 1 -6.236 -13.482 -1.855 1.00 0.00 C ATOM 3 C ARG A 1 -7.444 -12.549 -1.830 1.00 0.00 C ATOM 4 O ARG A 1 -8.280 -12.582 -2.732 1.00 0.00 O ATOM 5 CB ARG A 1 -5.815 -13.755 -3.301 1.00 0.00 C ATOM 6 CG ARG A 1 -4.400 -14.292 -3.434 1.00 0.00 C ATOM 7 CD ARG A 1 -4.130 -14.802 -4.842 1.00 0.00 C ATOM 8 NE ARG A 1 -2.788 -14.451 -5.305 1.00 0.00 N ATOM 9 CZ ARG A 1 -1.837 -15.339 -5.595 1.00 0.00 C ATOM 10 NH1 ARG A 1 -2.060 -16.642 -5.464 1.00 0.00 N ATOM 11 NH2 ARG A 1 -0.652 -14.920 -6.019 1.00 0.00 N ATOM 0 H1 ARG A 1 -5.777 -15.027 -0.541 1.00 0.00 H new ATOM 0 H2 ARG A 1 -7.438 -14.697 -0.670 1.00 0.00 H new ATOM 0 H3 ARG A 1 -6.637 -15.522 -1.919 1.00 0.00 H new ATOM 0 HA ARG A 1 -5.428 -12.991 -1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -6.509 -14.470 -3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -5.899 -12.832 -3.875 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -3.686 -13.506 -3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -4.247 -15.099 -2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -4.249 -15.885 -4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -4.870 -14.386 -5.526 1.00 0.00 H new ATOM 0 HE ARG A 1 -2.565 -13.462 -5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -2.968 -16.974 -5.138 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -1.323 -17.311 -5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -0.471 -13.921 -6.122 1.00 0.00 H new ATOM 0 HH22 ARG A 1 0.078 -15.596 -6.242 1.00 0.00 H new ATOM 27 N PRO A 2 -7.556 -11.704 -0.789 1.00 0.00 N ATOM 28 CA PRO A 2 -8.674 -10.766 -0.660 1.00 0.00 C ATOM 29 C PRO A 2 -8.797 -9.843 -1.868 1.00 0.00 C ATOM 30 O PRO A 2 -7.801 -9.490 -2.500 1.00 0.00 O ATOM 31 CB PRO A 2 -8.331 -9.950 0.586 1.00 0.00 C ATOM 32 CG PRO A 2 -7.351 -10.771 1.350 1.00 0.00 C ATOM 33 CD PRO A 2 -6.611 -11.605 0.338 1.00 0.00 C ATOM 0 HA PRO A 2 -9.627 -11.290 -0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.905 -8.984 0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.222 -9.751 1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.663 -10.135 1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.859 -11.404 2.078 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.676 -11.133 0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.358 -12.588 0.736 1.00 0.00 H new ATOM 41 N ASP A 3 -10.024 -9.451 -2.187 1.00 0.00 N ATOM 42 CA ASP A 3 -10.273 -8.571 -3.322 1.00 0.00 C ATOM 43 C ASP A 3 -9.455 -7.284 -3.221 1.00 0.00 C ATOM 44 O ASP A 3 -8.826 -6.861 -4.190 1.00 0.00 O ATOM 45 CB ASP A 3 -11.762 -8.232 -3.410 1.00 0.00 C ATOM 46 CG ASP A 3 -12.323 -7.746 -2.088 1.00 0.00 C ATOM 47 OD1 ASP A 3 -12.353 -8.543 -1.126 1.00 0.00 O ATOM 48 OD2 ASP A 3 -12.731 -6.568 -2.013 1.00 0.00 O ATOM 0 H ASP A 3 -10.862 -9.728 -1.676 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.966 -9.099 -4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.913 -7.465 -4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.314 -9.114 -3.734 1.00 0.00 H new ATOM 53 N PHE A 4 -9.477 -6.660 -2.048 1.00 0.00 N ATOM 54 CA PHE A 4 -8.758 -5.419 -1.826 1.00 0.00 C ATOM 55 C PHE A 4 -7.266 -5.554 -2.122 1.00 0.00 C ATOM 56 O PHE A 4 -6.605 -4.568 -2.448 1.00 0.00 O ATOM 57 CB PHE A 4 -8.975 -4.951 -0.388 1.00 0.00 C ATOM 58 CG PHE A 4 -8.281 -5.796 0.643 1.00 0.00 C ATOM 59 CD1 PHE A 4 -6.914 -5.687 0.847 1.00 0.00 C ATOM 60 CD2 PHE A 4 -8.999 -6.697 1.408 1.00 0.00 C ATOM 61 CE1 PHE A 4 -6.280 -6.464 1.799 1.00 0.00 C ATOM 62 CE2 PHE A 4 -8.370 -7.477 2.357 1.00 0.00 C ATOM 63 CZ PHE A 4 -7.010 -7.361 2.553 1.00 0.00 C ATOM 0 H PHE A 4 -9.990 -6.999 -1.234 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.154 -4.676 -2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.625 -3.923 -0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.044 -4.944 -0.177 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.339 -4.989 0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.065 -6.791 1.261 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.215 -6.369 1.953 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.943 -8.178 2.946 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.517 -7.971 3.295 1.00 0.00 H new ATOM 73 N CYS A 5 -6.729 -6.769 -2.020 1.00 0.00 N ATOM 74 CA CYS A 5 -5.309 -6.979 -2.291 1.00 0.00 C ATOM 75 C CYS A 5 -4.968 -6.572 -3.720 1.00 0.00 C ATOM 76 O CYS A 5 -3.830 -6.214 -4.020 1.00 0.00 O ATOM 77 CB CYS A 5 -4.911 -8.437 -2.048 1.00 0.00 C ATOM 78 SG CYS A 5 -4.489 -8.810 -0.316 1.00 0.00 S ATOM 0 H CYS A 5 -7.245 -7.608 -1.757 1.00 0.00 H new ATOM 0 HA CYS A 5 -4.743 -6.351 -1.603 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.732 -9.084 -2.359 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.057 -8.680 -2.680 1.00 0.00 H new ATOM 83 N LEU A 6 -5.969 -6.614 -4.598 1.00 0.00 N ATOM 84 CA LEU A 6 -5.780 -6.238 -5.995 1.00 0.00 C ATOM 85 C LEU A 6 -5.999 -4.738 -6.197 1.00 0.00 C ATOM 86 O LEU A 6 -6.322 -4.296 -7.299 1.00 0.00 O ATOM 87 CB LEU A 6 -6.740 -7.023 -6.895 1.00 0.00 C ATOM 88 CG LEU A 6 -6.953 -8.488 -6.508 1.00 0.00 C ATOM 89 CD1 LEU A 6 -8.394 -8.909 -6.768 1.00 0.00 C ATOM 90 CD2 LEU A 6 -5.987 -9.384 -7.271 1.00 0.00 C ATOM 0 H LEU A 6 -6.918 -6.905 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.752 -6.479 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.707 -6.520 -6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.364 -6.986 -7.918 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.754 -8.595 -5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.524 -9.954 -6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.067 -8.287 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.623 -8.787 -7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.151 -10.423 -6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.155 -9.272 -8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.962 -9.100 -7.033 1.00 0.00 H new ATOM 102 N GLU A 7 -5.824 -3.959 -5.130 1.00 0.00 N ATOM 103 CA GLU A 7 -6.004 -2.514 -5.203 1.00 0.00 C ATOM 104 C GLU A 7 -4.651 -1.810 -5.329 1.00 0.00 C ATOM 105 O GLU A 7 -3.819 -1.890 -4.426 1.00 0.00 O ATOM 106 CB GLU A 7 -6.744 -2.009 -3.961 1.00 0.00 C ATOM 107 CG GLU A 7 -7.499 -0.709 -4.189 1.00 0.00 C ATOM 108 CD GLU A 7 -7.335 0.273 -3.044 1.00 0.00 C ATOM 109 OE1 GLU A 7 -6.330 0.170 -2.309 1.00 0.00 O ATOM 110 OE2 GLU A 7 -8.216 1.145 -2.879 1.00 0.00 O ATOM 0 H GLU A 7 -5.558 -4.305 -4.208 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.599 -2.285 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.446 -2.774 -3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.026 -1.866 -3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.148 -0.247 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.558 -0.928 -4.325 1.00 0.00 H new ATOM 117 N PRO A 8 -4.408 -1.114 -6.457 1.00 0.00 N ATOM 118 CA PRO A 8 -3.144 -0.404 -6.686 1.00 0.00 C ATOM 119 C PRO A 8 -2.840 0.612 -5.587 1.00 0.00 C ATOM 120 O PRO A 8 -3.719 0.979 -4.808 1.00 0.00 O ATOM 121 CB PRO A 8 -3.361 0.309 -8.024 1.00 0.00 C ATOM 122 CG PRO A 8 -4.451 -0.452 -8.695 1.00 0.00 C ATOM 123 CD PRO A 8 -5.335 -0.967 -7.594 1.00 0.00 C ATOM 0 HA PRO A 8 -2.295 -1.087 -6.688 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.642 1.351 -7.874 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.451 0.307 -8.624 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.010 0.188 -9.378 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.046 -1.273 -9.287 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.143 -0.271 -7.367 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.798 -1.917 -7.861 1.00 0.00 H new ATOM 131 N PRO A 9 -1.584 1.090 -5.520 1.00 0.00 N ATOM 132 CA PRO A 9 -1.165 2.076 -4.518 1.00 0.00 C ATOM 133 C PRO A 9 -1.718 3.465 -4.812 1.00 0.00 C ATOM 134 O PRO A 9 -1.579 3.976 -5.923 1.00 0.00 O ATOM 135 CB PRO A 9 0.358 2.064 -4.635 1.00 0.00 C ATOM 136 CG PRO A 9 0.623 1.669 -6.047 1.00 0.00 C ATOM 137 CD PRO A 9 -0.480 0.718 -6.427 1.00 0.00 C ATOM 0 HA PRO A 9 -1.530 1.833 -3.520 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.781 3.044 -4.411 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.804 1.357 -3.935 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.629 2.541 -6.701 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.599 1.193 -6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.765 0.831 -7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.180 -0.321 -6.289 1.00 0.00 H new ATOM 145 N TYR A 10 -2.358 4.070 -3.813 1.00 0.00 N ATOM 146 CA TYR A 10 -2.946 5.400 -3.970 1.00 0.00 C ATOM 147 C TYR A 10 -2.175 6.454 -3.177 1.00 0.00 C ATOM 148 O TYR A 10 -1.988 6.324 -1.968 1.00 0.00 O ATOM 149 CB TYR A 10 -4.408 5.383 -3.522 1.00 0.00 C ATOM 150 CG TYR A 10 -5.246 6.462 -4.168 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.451 6.475 -5.542 1.00 0.00 C ATOM 152 CD2 TYR A 10 -5.827 7.467 -3.407 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.213 7.462 -6.139 1.00 0.00 C ATOM 154 CE2 TYR A 10 -6.591 8.457 -3.996 1.00 0.00 C ATOM 155 CZ TYR A 10 -6.779 8.450 -5.362 1.00 0.00 C ATOM 156 OH TYR A 10 -7.538 9.434 -5.952 1.00 0.00 O ATOM 0 H TYR A 10 -2.483 3.661 -2.887 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.889 5.665 -5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.840 4.410 -3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.450 5.500 -2.439 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.008 5.702 -6.153 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.680 7.476 -2.337 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.364 7.459 -7.208 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.038 9.231 -3.390 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.864 10.052 -5.265 1.00 0.00 H new ATOM 166 N THR A 11 -1.743 7.503 -3.871 1.00 0.00 N ATOM 167 CA THR A 11 -1.002 8.598 -3.248 1.00 0.00 C ATOM 168 C THR A 11 -1.940 9.748 -2.873 1.00 0.00 C ATOM 169 O THR A 11 -1.535 10.700 -2.210 1.00 0.00 O ATOM 170 CB THR A 11 0.072 9.106 -4.210 1.00 0.00 C ATOM 171 OG1 THR A 11 0.906 8.044 -4.638 1.00 0.00 O ATOM 172 CG2 THR A 11 0.961 10.177 -3.614 1.00 0.00 C ATOM 0 H THR A 11 -1.894 7.619 -4.873 1.00 0.00 H new ATOM 0 HA THR A 11 -0.534 8.223 -2.338 1.00 0.00 H new ATOM 0 HB THR A 11 -0.477 9.540 -5.046 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.585 8.389 -5.254 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.699 10.490 -4.353 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.353 11.034 -3.323 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.472 9.779 -2.737 1.00 0.00 H new ATOM 180 N GLY A 12 -3.198 9.649 -3.306 1.00 0.00 N ATOM 181 CA GLY A 12 -4.181 10.661 -3.007 1.00 0.00 C ATOM 182 C GLY A 12 -3.745 12.067 -3.384 1.00 0.00 C ATOM 183 O GLY A 12 -2.591 12.285 -3.755 1.00 0.00 O ATOM 0 H GLY A 12 -3.549 8.872 -3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.106 10.424 -3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.405 10.633 -1.941 1.00 0.00 H new ATOM 187 N PRO A 13 -4.660 13.052 -3.299 1.00 0.00 N ATOM 188 CA PRO A 13 -4.358 14.442 -3.636 1.00 0.00 C ATOM 189 C PRO A 13 -3.684 15.184 -2.488 1.00 0.00 C ATOM 190 O PRO A 13 -4.191 16.194 -2.001 1.00 0.00 O ATOM 191 CB PRO A 13 -5.738 15.027 -3.919 1.00 0.00 C ATOM 192 CG PRO A 13 -6.654 14.271 -3.019 1.00 0.00 C ATOM 193 CD PRO A 13 -6.065 12.889 -2.866 1.00 0.00 C ATOM 0 HA PRO A 13 -3.660 14.526 -4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.767 16.096 -3.708 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.016 14.901 -4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.741 14.765 -2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.657 14.220 -3.442 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.128 12.540 -1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.591 12.160 -3.482 1.00 0.00 H new ATOM 201 N CYS A 14 -2.540 14.666 -2.058 1.00 0.00 N ATOM 202 CA CYS A 14 -1.785 15.268 -0.965 1.00 0.00 C ATOM 203 C CYS A 14 -0.357 15.556 -1.404 1.00 0.00 C ATOM 204 O CYS A 14 0.051 15.185 -2.504 1.00 0.00 O ATOM 205 CB CYS A 14 -1.800 14.348 0.255 1.00 0.00 C ATOM 206 SG CYS A 14 -3.065 14.776 1.498 1.00 0.00 S ATOM 0 H CYS A 14 -2.113 13.827 -2.451 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.255 16.212 -0.691 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.966 13.324 -0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.818 14.374 0.728 1.00 0.00 H new ATOM 211 N ARG A 15 0.385 16.258 -0.558 1.00 0.00 N ATOM 212 CA ARG A 15 1.760 16.626 -0.882 1.00 0.00 C ATOM 213 C ARG A 15 2.763 16.125 0.162 1.00 0.00 C ATOM 214 O ARG A 15 3.930 16.515 0.137 1.00 0.00 O ATOM 215 CB ARG A 15 1.873 18.144 -1.030 1.00 0.00 C ATOM 216 CG ARG A 15 1.800 18.897 0.287 1.00 0.00 C ATOM 217 CD ARG A 15 1.868 20.400 0.071 1.00 0.00 C ATOM 218 NE ARG A 15 1.479 21.145 1.266 1.00 0.00 N ATOM 219 CZ ARG A 15 2.305 21.416 2.275 1.00 0.00 C ATOM 220 NH1 ARG A 15 3.564 20.998 2.243 1.00 0.00 N ATOM 221 NH2 ARG A 15 1.867 22.105 3.320 1.00 0.00 N ATOM 0 H ARG A 15 0.062 16.583 0.353 1.00 0.00 H new ATOM 0 HA ARG A 15 2.010 16.142 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.816 18.382 -1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.075 18.496 -1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.873 18.643 0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.620 18.583 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.882 20.679 -0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.215 20.677 -0.757 1.00 0.00 H new ATOM 0 HE ARG A 15 0.517 21.478 1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.904 20.466 1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.191 21.209 3.019 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.899 22.426 3.350 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.498 22.314 4.094 1.00 0.00 H new ATOM 235 N VAL A 16 2.319 15.257 1.068 1.00 0.00 N ATOM 236 CA VAL A 16 3.212 14.721 2.091 1.00 0.00 C ATOM 237 C VAL A 16 3.945 13.492 1.567 1.00 0.00 C ATOM 238 O VAL A 16 3.473 12.820 0.656 1.00 0.00 O ATOM 239 CB VAL A 16 2.472 14.332 3.391 1.00 0.00 C ATOM 240 CG1 VAL A 16 3.224 14.852 4.607 1.00 0.00 C ATOM 241 CG2 VAL A 16 1.031 14.829 3.401 1.00 0.00 C ATOM 0 H VAL A 16 1.360 14.914 1.115 1.00 0.00 H new ATOM 0 HA VAL A 16 3.916 15.519 2.326 1.00 0.00 H new ATOM 0 HB VAL A 16 2.439 13.243 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.689 14.569 5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.225 14.422 4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.297 15.938 4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.550 14.533 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.020 15.916 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.490 14.395 2.560 1.00 0.00 H new ATOM 251 N ARG A 17 5.088 13.191 2.167 1.00 0.00 N ATOM 252 CA ARG A 17 5.879 12.030 1.764 1.00 0.00 C ATOM 253 C ARG A 17 5.698 10.881 2.750 1.00 0.00 C ATOM 254 O ARG A 17 6.160 10.951 3.889 1.00 0.00 O ATOM 255 CB ARG A 17 7.358 12.406 1.659 1.00 0.00 C ATOM 256 CG ARG A 17 8.023 11.910 0.386 1.00 0.00 C ATOM 257 CD ARG A 17 9.142 12.838 -0.063 1.00 0.00 C ATOM 258 NE ARG A 17 8.900 13.381 -1.399 1.00 0.00 N ATOM 259 CZ ARG A 17 8.482 14.624 -1.638 1.00 0.00 C ATOM 260 NH1 ARG A 17 8.248 15.466 -0.638 1.00 0.00 N ATOM 261 NH2 ARG A 17 8.295 15.027 -2.888 1.00 0.00 N ATOM 0 H ARG A 17 5.490 13.731 2.933 1.00 0.00 H new ATOM 0 HA ARG A 17 5.527 11.702 0.786 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.453 13.491 1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.890 11.999 2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.424 10.910 0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.278 11.828 -0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.241 13.657 0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.087 12.295 -0.058 1.00 0.00 H new ATOM 0 HE ARG A 17 9.061 12.769 -2.199 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.388 15.164 0.326 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.928 16.415 -0.834 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.471 14.386 -3.662 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.975 15.977 -3.075 1.00 0.00 H new ATOM 275 N ILE A 18 5.020 9.826 2.306 1.00 0.00 N ATOM 276 CA ILE A 18 4.776 8.664 3.150 1.00 0.00 C ATOM 277 C ILE A 18 5.077 7.370 2.402 1.00 0.00 C ATOM 278 O ILE A 18 4.258 6.891 1.616 1.00 0.00 O ATOM 279 CB ILE A 18 3.314 8.636 3.641 1.00 0.00 C ATOM 280 CG1 ILE A 18 2.966 9.948 4.355 1.00 0.00 C ATOM 281 CG2 ILE A 18 3.070 7.439 4.552 1.00 0.00 C ATOM 282 CD1 ILE A 18 1.696 9.885 5.178 1.00 0.00 C ATOM 0 H ILE A 18 4.630 9.754 1.366 1.00 0.00 H new ATOM 0 HA ILE A 18 5.442 8.743 4.009 1.00 0.00 H new ATOM 0 HB ILE A 18 2.661 8.533 2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.795 10.226 5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.866 10.739 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.032 7.441 4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.274 6.518 4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.729 7.500 5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.520 10.851 5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.854 9.639 4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.798 9.119 5.947 1.00 0.00 H new ATOM 294 N ILE A 19 6.250 6.802 2.658 1.00 0.00 N ATOM 295 CA ILE A 19 6.649 5.557 2.025 1.00 0.00 C ATOM 296 C ILE A 19 5.749 4.429 2.509 1.00 0.00 C ATOM 297 O ILE A 19 6.068 3.730 3.470 1.00 0.00 O ATOM 298 CB ILE A 19 8.123 5.214 2.334 1.00 0.00 C ATOM 299 CG1 ILE A 19 9.052 6.277 1.740 1.00 0.00 C ATOM 300 CG2 ILE A 19 8.479 3.832 1.800 1.00 0.00 C ATOM 301 CD1 ILE A 19 9.624 7.225 2.773 1.00 0.00 C ATOM 0 H ILE A 19 6.941 7.188 3.302 1.00 0.00 H new ATOM 0 HA ILE A 19 6.549 5.677 0.946 1.00 0.00 H new ATOM 0 HB ILE A 19 8.255 5.203 3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.872 5.782 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.503 6.853 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.522 3.611 2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.838 3.085 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.332 3.810 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 19 10.272 7.951 2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.811 7.748 3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.201 6.660 3.505 1.00 0.00 H new ATOM 313 N ARG A 20 4.617 4.274 1.841 1.00 0.00 N ATOM 314 CA ARG A 20 3.653 3.245 2.206 1.00 0.00 C ATOM 315 C ARG A 20 3.934 1.946 1.464 1.00 0.00 C ATOM 316 O ARG A 20 4.767 1.904 0.560 1.00 0.00 O ATOM 317 CB ARG A 20 2.227 3.723 1.923 1.00 0.00 C ATOM 318 CG ARG A 20 1.661 4.639 2.997 1.00 0.00 C ATOM 319 CD ARG A 20 1.474 3.901 4.312 1.00 0.00 C ATOM 320 NE ARG A 20 1.594 4.790 5.465 1.00 0.00 N ATOM 321 CZ ARG A 20 0.559 5.373 6.070 1.00 0.00 C ATOM 322 NH1 ARG A 20 -0.679 5.173 5.633 1.00 0.00 N ATOM 323 NH2 ARG A 20 0.765 6.162 7.116 1.00 0.00 N ATOM 0 H ARG A 20 4.342 4.847 1.043 1.00 0.00 H new ATOM 0 HA ARG A 20 3.752 3.053 3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.213 4.247 0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.577 2.854 1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.331 5.486 3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.705 5.043 2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.494 3.424 4.323 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.216 3.106 4.389 1.00 0.00 H new ATOM 0 HE ARG A 20 2.528 4.976 5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.844 4.569 4.828 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.465 5.623 6.102 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.714 6.321 7.456 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.025 6.609 7.581 1.00 0.00 H new ATOM 337 N TYR A 21 3.240 0.884 1.866 1.00 0.00 N ATOM 338 CA TYR A 21 3.419 -0.428 1.258 1.00 0.00 C ATOM 339 C TYR A 21 2.129 -0.914 0.601 1.00 0.00 C ATOM 340 O TYR A 21 1.033 -0.634 1.083 1.00 0.00 O ATOM 341 CB TYR A 21 3.843 -1.427 2.334 1.00 0.00 C ATOM 342 CG TYR A 21 5.240 -1.209 2.868 1.00 0.00 C ATOM 343 CD1 TYR A 21 6.335 -1.826 2.277 1.00 0.00 C ATOM 344 CD2 TYR A 21 5.462 -0.395 3.972 1.00 0.00 C ATOM 345 CE1 TYR A 21 7.612 -1.635 2.769 1.00 0.00 C ATOM 346 CE2 TYR A 21 6.736 -0.202 4.470 1.00 0.00 C ATOM 347 CZ TYR A 21 7.807 -0.824 3.865 1.00 0.00 C ATOM 348 OH TYR A 21 9.077 -0.632 4.358 1.00 0.00 O ATOM 0 H TYR A 21 2.546 0.909 2.613 1.00 0.00 H new ATOM 0 HA TYR A 21 4.187 -0.348 0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.137 -1.372 3.163 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.776 -2.435 1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.186 -2.465 1.419 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.625 0.095 4.448 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.453 -2.120 2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.892 0.433 5.329 1.00 0.00 H new ATOM 0 HH TYR A 21 9.040 -0.032 5.132 1.00 0.00 H new ATOM 358 N PHE A 22 2.266 -1.671 -0.488 1.00 0.00 N ATOM 359 CA PHE A 22 1.107 -2.223 -1.188 1.00 0.00 C ATOM 360 C PHE A 22 1.444 -3.572 -1.801 1.00 0.00 C ATOM 361 O PHE A 22 2.604 -3.973 -1.847 1.00 0.00 O ATOM 362 CB PHE A 22 0.604 -1.276 -2.282 1.00 0.00 C ATOM 363 CG PHE A 22 1.449 -1.270 -3.528 1.00 0.00 C ATOM 364 CD1 PHE A 22 2.712 -0.703 -3.529 1.00 0.00 C ATOM 365 CD2 PHE A 22 0.974 -1.843 -4.699 1.00 0.00 C ATOM 366 CE1 PHE A 22 3.487 -0.707 -4.674 1.00 0.00 C ATOM 367 CE2 PHE A 22 1.745 -1.851 -5.846 1.00 0.00 C ATOM 368 CZ PHE A 22 3.003 -1.282 -5.834 1.00 0.00 C ATOM 0 H PHE A 22 3.165 -1.915 -0.903 1.00 0.00 H new ATOM 0 HA PHE A 22 0.315 -2.348 -0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.415 -1.556 -2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.562 -0.264 -1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.096 -0.253 -2.626 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.010 -2.288 -4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.470 -0.261 -4.662 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.364 -2.302 -6.750 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.607 -1.286 -6.729 1.00 0.00 H new ATOM 378 N TYR A 23 0.420 -4.252 -2.288 1.00 0.00 N ATOM 379 CA TYR A 23 0.586 -5.563 -2.918 1.00 0.00 C ATOM 380 C TYR A 23 0.556 -5.434 -4.437 1.00 0.00 C ATOM 381 O TYR A 23 -0.513 -5.406 -5.046 1.00 0.00 O ATOM 382 CB TYR A 23 -0.523 -6.512 -2.456 1.00 0.00 C ATOM 383 CG TYR A 23 -0.430 -7.888 -3.075 1.00 0.00 C ATOM 384 CD1 TYR A 23 0.600 -8.755 -2.732 1.00 0.00 C ATOM 385 CD2 TYR A 23 -1.363 -8.315 -4.010 1.00 0.00 C ATOM 386 CE1 TYR A 23 0.696 -10.009 -3.305 1.00 0.00 C ATOM 387 CE2 TYR A 23 -1.275 -9.569 -4.585 1.00 0.00 C ATOM 388 CZ TYR A 23 -0.244 -10.411 -4.230 1.00 0.00 C ATOM 389 OH TYR A 23 -0.151 -11.659 -4.803 1.00 0.00 O ATOM 0 H TYR A 23 -0.544 -3.920 -2.262 1.00 0.00 H new ATOM 0 HA TYR A 23 1.553 -5.969 -2.620 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.482 -6.606 -1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.491 -6.075 -2.702 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.337 -8.444 -2.006 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -2.171 -7.657 -4.293 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.504 -10.671 -3.029 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -2.011 -9.887 -5.309 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.891 -11.786 -5.432 1.00 0.00 H new ATOM 399 N ASN A 24 1.735 -5.363 -5.048 1.00 0.00 N ATOM 400 CA ASN A 24 1.838 -5.239 -6.492 1.00 0.00 C ATOM 401 C ASN A 24 1.302 -6.493 -7.180 1.00 0.00 C ATOM 402 O ASN A 24 1.770 -7.603 -6.923 1.00 0.00 O ATOM 403 CB ASN A 24 3.294 -4.987 -6.880 1.00 0.00 C ATOM 404 CG ASN A 24 3.456 -4.655 -8.351 1.00 0.00 C ATOM 405 OD1 ASN A 24 3.717 -5.535 -9.170 1.00 0.00 O ATOM 406 ND2 ASN A 24 3.301 -3.382 -8.693 1.00 0.00 N ATOM 0 H ASN A 24 2.631 -5.390 -4.562 1.00 0.00 H new ATOM 0 HA ASN A 24 1.233 -4.394 -6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.689 -4.167 -6.280 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.887 -5.870 -6.643 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.398 -3.101 -9.669 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.085 -2.685 -7.980 1.00 0.00 H new ATOM 413 N ALA A 25 0.307 -6.310 -8.047 1.00 0.00 N ATOM 414 CA ALA A 25 -0.306 -7.426 -8.763 1.00 0.00 C ATOM 415 C ALA A 25 0.442 -7.762 -10.054 1.00 0.00 C ATOM 416 O ALA A 25 -0.072 -8.490 -10.903 1.00 0.00 O ATOM 417 CB ALA A 25 -1.765 -7.116 -9.063 1.00 0.00 C ATOM 0 H ALA A 25 -0.092 -5.398 -8.270 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.247 -8.302 -8.117 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.213 -7.954 -9.597 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.302 -6.953 -8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.827 -6.219 -9.679 1.00 0.00 H new ATOM 423 N LYS A 26 1.659 -7.248 -10.187 1.00 0.00 N ATOM 424 CA LYS A 26 2.482 -7.513 -11.366 1.00 0.00 C ATOM 425 C LYS A 26 3.677 -8.365 -10.967 1.00 0.00 C ATOM 426 O LYS A 26 4.114 -9.240 -11.714 1.00 0.00 O ATOM 427 CB LYS A 26 2.950 -6.203 -12.005 1.00 0.00 C ATOM 428 CG LYS A 26 1.992 -5.664 -13.056 1.00 0.00 C ATOM 429 CD LYS A 26 2.641 -5.603 -14.432 1.00 0.00 C ATOM 430 CE LYS A 26 2.167 -6.739 -15.325 1.00 0.00 C ATOM 431 NZ LYS A 26 3.215 -7.780 -15.502 1.00 0.00 N ATOM 0 H LYS A 26 2.100 -6.644 -9.493 1.00 0.00 H new ATOM 0 HA LYS A 26 1.885 -8.052 -12.102 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.080 -5.453 -11.224 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.927 -6.360 -12.462 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.106 -6.297 -13.099 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.658 -4.668 -12.767 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.408 -4.648 -14.903 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.725 -5.650 -14.326 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.275 -7.192 -14.893 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.883 -6.341 -16.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.853 -8.536 -16.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.058 -7.354 -15.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.468 -8.179 -14.575 1.00 0.00 H new ATOM 445 N ALA A 27 4.178 -8.113 -9.763 1.00 0.00 N ATOM 446 CA ALA A 27 5.301 -8.858 -9.221 1.00 0.00 C ATOM 447 C ALA A 27 4.826 -9.796 -8.113 1.00 0.00 C ATOM 448 O ALA A 27 5.589 -10.627 -7.620 1.00 0.00 O ATOM 449 CB ALA A 27 6.367 -7.905 -8.699 1.00 0.00 C ATOM 0 H ALA A 27 3.817 -7.390 -9.140 1.00 0.00 H new ATOM 0 HA ALA A 27 5.740 -9.459 -10.017 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.202 -8.478 -8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.720 -7.273 -9.514 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.943 -7.280 -7.913 1.00 0.00 H new ATOM 455 N GLY A 28 3.551 -9.664 -7.732 1.00 0.00 N ATOM 456 CA GLY A 28 2.990 -10.504 -6.713 1.00 0.00 C ATOM 457 C GLY A 28 3.583 -10.284 -5.341 1.00 0.00 C ATOM 458 O GLY A 28 3.289 -11.020 -4.398 1.00 0.00 O ATOM 0 H GLY A 28 2.904 -8.980 -8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.915 -10.331 -6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.133 -11.547 -6.997 1.00 0.00 H new ATOM 462 N LEU A 29 4.419 -9.278 -5.238 1.00 0.00 N ATOM 463 CA LEU A 29 5.076 -8.946 -3.980 1.00 0.00 C ATOM 464 C LEU A 29 4.650 -7.567 -3.491 1.00 0.00 C ATOM 465 O LEU A 29 4.012 -6.808 -4.220 1.00 0.00 O ATOM 466 CB LEU A 29 6.596 -8.995 -4.144 1.00 0.00 C ATOM 467 CG LEU A 29 7.170 -10.376 -4.477 1.00 0.00 C ATOM 468 CD1 LEU A 29 8.386 -10.246 -5.383 1.00 0.00 C ATOM 469 CD2 LEU A 29 7.529 -11.123 -3.200 1.00 0.00 C ATOM 0 H LEU A 29 4.667 -8.665 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 29 4.775 -9.684 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.883 -8.300 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.057 -8.640 -3.222 1.00 0.00 H new ATOM 0 HG LEU A 29 6.409 -10.948 -5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.779 -11.237 -5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.098 -9.751 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.153 -9.657 -4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.935 -12.102 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.273 -10.554 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.636 -11.248 -2.588 1.00 0.00 H new ATOM 481 N CYS A 30 5.006 -7.249 -2.250 1.00 0.00 N ATOM 482 CA CYS A 30 4.660 -5.971 -1.664 1.00 0.00 C ATOM 483 C CYS A 30 5.746 -4.935 -1.942 1.00 0.00 C ATOM 484 O CYS A 30 6.920 -5.158 -1.643 1.00 0.00 O ATOM 485 CB CYS A 30 4.457 -6.142 -0.161 1.00 0.00 C ATOM 486 SG CYS A 30 2.776 -6.671 0.309 1.00 0.00 S ATOM 0 H CYS A 30 5.536 -7.866 -1.634 1.00 0.00 H new ATOM 0 HA CYS A 30 3.734 -5.613 -2.115 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.174 -6.874 0.210 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.681 -5.197 0.335 1.00 0.00 H new ATOM 491 N GLN A 31 5.349 -3.804 -2.519 1.00 0.00 N ATOM 492 CA GLN A 31 6.294 -2.741 -2.841 1.00 0.00 C ATOM 493 C GLN A 31 5.923 -1.442 -2.132 1.00 0.00 C ATOM 494 O GLN A 31 4.824 -1.306 -1.595 1.00 0.00 O ATOM 495 CB GLN A 31 6.351 -2.513 -4.354 1.00 0.00 C ATOM 496 CG GLN A 31 6.504 -3.791 -5.165 1.00 0.00 C ATOM 497 CD GLN A 31 7.951 -4.118 -5.472 1.00 0.00 C ATOM 498 OE1 GLN A 31 8.852 -3.789 -4.699 1.00 0.00 O ATOM 499 NE2 GLN A 31 8.182 -4.772 -6.605 1.00 0.00 N ATOM 0 H GLN A 31 4.382 -3.601 -2.772 1.00 0.00 H new ATOM 0 HA GLN A 31 7.278 -3.054 -2.492 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.442 -2.001 -4.669 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.185 -1.849 -4.580 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.057 -4.620 -4.617 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.952 -3.692 -6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.405 -5.025 -7.216 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.136 -5.022 -6.864 1.00 0.00 H new ATOM 508 N THR A 32 6.851 -0.489 -2.133 1.00 0.00 N ATOM 509 CA THR A 32 6.631 0.799 -1.483 1.00 0.00 C ATOM 510 C THR A 32 6.282 1.893 -2.487 1.00 0.00 C ATOM 511 O THR A 32 6.499 1.742 -3.689 1.00 0.00 O ATOM 512 CB THR A 32 7.883 1.211 -0.705 1.00 0.00 C ATOM 513 OG1 THR A 32 9.008 1.275 -1.564 1.00 0.00 O ATOM 514 CG2 THR A 32 8.223 0.266 0.424 1.00 0.00 C ATOM 0 H THR A 32 7.764 -0.585 -2.578 1.00 0.00 H new ATOM 0 HA THR A 32 5.787 0.681 -0.804 1.00 0.00 H new ATOM 0 HB THR A 32 7.652 2.189 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.798 1.542 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.120 0.616 0.934 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.394 0.231 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.400 -0.732 0.023 1.00 0.00 H new ATOM 522 N PHE A 33 5.756 3.007 -1.976 1.00 0.00 N ATOM 523 CA PHE A 33 5.401 4.146 -2.816 1.00 0.00 C ATOM 524 C PHE A 33 5.370 5.421 -1.987 1.00 0.00 C ATOM 525 O PHE A 33 5.333 5.373 -0.759 1.00 0.00 O ATOM 526 CB PHE A 33 4.056 3.934 -3.517 1.00 0.00 C ATOM 527 CG PHE A 33 2.899 3.705 -2.584 1.00 0.00 C ATOM 528 CD1 PHE A 33 2.947 2.712 -1.620 1.00 0.00 C ATOM 529 CD2 PHE A 33 1.763 4.494 -2.671 1.00 0.00 C ATOM 530 CE1 PHE A 33 1.886 2.513 -0.761 1.00 0.00 C ATOM 531 CE2 PHE A 33 0.699 4.296 -1.815 1.00 0.00 C ATOM 532 CZ PHE A 33 0.761 3.305 -0.858 1.00 0.00 C ATOM 0 H PHE A 33 5.567 3.142 -0.983 1.00 0.00 H new ATOM 0 HA PHE A 33 6.164 4.240 -3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.841 4.805 -4.136 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.141 3.079 -4.188 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.824 2.087 -1.540 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.710 5.273 -3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.936 1.737 -0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.181 4.916 -1.894 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.070 3.149 -0.186 1.00 0.00 H new ATOM 542 N VAL A 34 5.402 6.557 -2.665 1.00 0.00 N ATOM 543 CA VAL A 34 5.396 7.848 -1.993 1.00 0.00 C ATOM 544 C VAL A 34 3.979 8.371 -1.810 1.00 0.00 C ATOM 545 O VAL A 34 3.564 9.322 -2.474 1.00 0.00 O ATOM 546 CB VAL A 34 6.225 8.888 -2.771 1.00 0.00 C ATOM 547 CG1 VAL A 34 6.312 10.196 -1.998 1.00 0.00 C ATOM 548 CG2 VAL A 34 7.615 8.345 -3.069 1.00 0.00 C ATOM 0 H VAL A 34 5.432 6.612 -3.683 1.00 0.00 H new ATOM 0 HA VAL A 34 5.847 7.695 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 34 5.724 9.088 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.902 10.916 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.309 10.593 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.788 10.018 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.187 9.092 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.124 8.115 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.531 7.439 -3.669 1.00 0.00 H new ATOM 558 N TYR A 35 3.245 7.750 -0.896 1.00 0.00 N ATOM 559 CA TYR A 35 1.872 8.152 -0.620 1.00 0.00 C ATOM 560 C TYR A 35 1.840 9.497 0.089 1.00 0.00 C ATOM 561 O TYR A 35 2.696 9.793 0.921 1.00 0.00 O ATOM 562 CB TYR A 35 1.171 7.088 0.226 1.00 0.00 C ATOM 563 CG TYR A 35 0.060 7.619 1.103 1.00 0.00 C ATOM 564 CD1 TYR A 35 -1.045 8.226 0.558 1.00 0.00 C ATOM 565 CD2 TYR A 35 0.131 7.507 2.474 1.00 0.00 C ATOM 566 CE1 TYR A 35 -2.065 8.705 1.357 1.00 0.00 C ATOM 567 CE2 TYR A 35 -0.874 7.980 3.288 1.00 0.00 C ATOM 568 CZ TYR A 35 -1.974 8.577 2.723 1.00 0.00 C ATOM 569 OH TYR A 35 -2.995 9.037 3.527 1.00 0.00 O ATOM 0 H TYR A 35 3.577 6.967 -0.334 1.00 0.00 H new ATOM 0 HA TYR A 35 1.343 8.252 -1.568 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.761 6.326 -0.437 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.912 6.597 0.857 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.118 8.331 -0.514 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.995 7.037 2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.928 9.177 0.912 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.798 7.882 4.361 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.720 8.986 4.466 1.00 0.00 H new ATOM 579 N GLY A 36 0.842 10.304 -0.235 1.00 0.00 N ATOM 580 CA GLY A 36 0.722 11.599 0.391 1.00 0.00 C ATOM 581 C GLY A 36 0.179 11.523 1.806 1.00 0.00 C ATOM 582 O GLY A 36 0.938 11.398 2.767 1.00 0.00 O ATOM 0 H GLY A 36 0.117 10.085 -0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.700 12.081 0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.067 12.229 -0.211 1.00 0.00 H new ATOM 586 N GLY A 37 -1.141 11.595 1.921 1.00 0.00 N ATOM 587 CA GLY A 37 -1.800 11.567 3.206 1.00 0.00 C ATOM 588 C GLY A 37 -3.194 12.153 3.129 1.00 0.00 C ATOM 589 O GLY A 37 -3.592 12.944 3.984 1.00 0.00 O ATOM 0 H GLY A 37 -1.776 11.674 1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.856 10.539 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.209 12.126 3.931 1.00 0.00 H new ATOM 593 N CYS A 38 -3.921 11.801 2.074 1.00 0.00 N ATOM 594 CA CYS A 38 -5.261 12.329 1.859 1.00 0.00 C ATOM 595 C CYS A 38 -6.328 11.238 1.957 1.00 0.00 C ATOM 596 O CYS A 38 -6.806 10.738 0.939 1.00 0.00 O ATOM 597 CB CYS A 38 -5.335 13.000 0.485 1.00 0.00 C ATOM 598 SG CYS A 38 -4.817 14.751 0.466 1.00 0.00 S ATOM 0 H CYS A 38 -3.603 11.152 1.354 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.460 13.059 2.644 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.709 12.442 -0.212 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.359 12.934 0.117 1.00 0.00 H new ATOM 603 N ARG A 39 -6.704 10.888 3.191 1.00 0.00 N ATOM 604 CA ARG A 39 -7.729 9.866 3.455 1.00 0.00 C ATOM 605 C ARG A 39 -7.160 8.446 3.413 1.00 0.00 C ATOM 606 O ARG A 39 -7.724 7.532 4.014 1.00 0.00 O ATOM 607 CB ARG A 39 -8.905 9.981 2.472 1.00 0.00 C ATOM 608 CG ARG A 39 -10.228 10.305 3.147 1.00 0.00 C ATOM 609 CD ARG A 39 -10.996 9.042 3.501 1.00 0.00 C ATOM 610 NE ARG A 39 -10.259 8.199 4.442 1.00 0.00 N ATOM 611 CZ ARG A 39 -10.527 8.118 5.746 1.00 0.00 C ATOM 612 NH1 ARG A 39 -11.511 8.830 6.280 1.00 0.00 N ATOM 613 NH2 ARG A 39 -9.802 7.321 6.519 1.00 0.00 N ATOM 0 H ARG A 39 -6.309 11.302 4.035 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.091 10.055 4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.681 10.755 1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.005 9.043 1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.044 10.886 4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.832 10.927 2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.959 9.313 3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.203 8.476 2.592 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.490 7.637 4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.071 9.447 5.692 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.707 8.760 7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.042 6.773 6.116 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.004 7.256 7.517 1.00 0.00 H new ATOM 627 N ALA A 40 -6.052 8.262 2.708 1.00 0.00 N ATOM 628 CA ALA A 40 -5.430 6.947 2.603 1.00 0.00 C ATOM 629 C ALA A 40 -6.396 5.925 2.008 1.00 0.00 C ATOM 630 O ALA A 40 -7.603 6.159 1.947 1.00 0.00 O ATOM 631 CB ALA A 40 -4.942 6.483 3.967 1.00 0.00 C ATOM 0 H ALA A 40 -5.566 9.003 2.202 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.575 7.031 1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.480 5.500 3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.210 7.193 4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.786 6.423 4.654 1.00 0.00 H new ATOM 637 N LYS A 41 -5.856 4.793 1.567 1.00 0.00 N ATOM 638 CA LYS A 41 -6.670 3.738 0.974 1.00 0.00 C ATOM 639 C LYS A 41 -6.616 2.458 1.810 1.00 0.00 C ATOM 640 O LYS A 41 -6.204 2.482 2.970 1.00 0.00 O ATOM 641 CB LYS A 41 -6.207 3.461 -0.460 1.00 0.00 C ATOM 642 CG LYS A 41 -7.147 4.020 -1.517 1.00 0.00 C ATOM 643 CD LYS A 41 -7.432 5.496 -1.288 1.00 0.00 C ATOM 644 CE LYS A 41 -8.461 6.024 -2.274 1.00 0.00 C ATOM 645 NZ LYS A 41 -8.967 7.367 -1.881 1.00 0.00 N ATOM 0 H LYS A 41 -4.859 4.583 1.609 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.705 4.078 0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.215 3.890 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.112 2.384 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.707 3.883 -2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.083 3.462 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.792 5.644 -0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.508 6.065 -1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.017 6.080 -3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.295 5.326 -2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.976 7.442 -2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.845 7.498 -0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.434 8.101 -2.390 1.00 0.00 H new ATOM 659 N ARG A 42 -7.056 1.348 1.221 1.00 0.00 N ATOM 660 CA ARG A 42 -7.079 0.061 1.911 1.00 0.00 C ATOM 661 C ARG A 42 -5.748 -0.669 1.771 1.00 0.00 C ATOM 662 O ARG A 42 -5.274 -1.300 2.717 1.00 0.00 O ATOM 663 CB ARG A 42 -8.211 -0.811 1.361 1.00 0.00 C ATOM 664 CG ARG A 42 -9.593 -0.246 1.647 1.00 0.00 C ATOM 665 CD ARG A 42 -10.009 0.782 0.607 1.00 0.00 C ATOM 666 NE ARG A 42 -11.042 0.272 -0.291 1.00 0.00 N ATOM 667 CZ ARG A 42 -11.453 0.912 -1.384 1.00 0.00 C ATOM 668 NH1 ARG A 42 -10.924 2.084 -1.714 1.00 0.00 N ATOM 669 NH2 ARG A 42 -12.394 0.378 -2.150 1.00 0.00 N ATOM 0 H ARG A 42 -7.403 1.315 0.262 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.250 0.253 2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.086 -0.921 0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.136 -1.808 1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.320 -1.058 1.667 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.600 0.213 2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.376 1.677 1.110 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.138 1.079 0.024 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.473 -0.625 -0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.199 2.499 -1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.243 2.570 -2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.803 -0.523 -1.902 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.709 0.868 -2.987 1.00 0.00 H new ATOM 683 N ASN A 43 -5.157 -0.600 0.583 1.00 0.00 N ATOM 684 CA ASN A 43 -3.886 -1.266 0.335 1.00 0.00 C ATOM 685 C ASN A 43 -2.729 -0.307 0.576 1.00 0.00 C ATOM 686 O ASN A 43 -1.947 -0.009 -0.328 1.00 0.00 O ATOM 687 CB ASN A 43 -3.836 -1.822 -1.089 1.00 0.00 C ATOM 688 CG ASN A 43 -3.020 -3.096 -1.190 1.00 0.00 C ATOM 689 OD1 ASN A 43 -1.796 -3.058 -1.315 1.00 0.00 O ATOM 690 ND2 ASN A 43 -3.697 -4.236 -1.141 1.00 0.00 N ATOM 0 H ASN A 43 -5.535 -0.093 -0.217 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.794 -2.101 1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.851 -2.017 -1.435 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.412 -1.070 -1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.203 -5.126 -1.208 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.712 -4.223 -1.037 1.00 0.00 H new ATOM 697 N ASN A 44 -2.651 0.182 1.807 1.00 0.00 N ATOM 698 CA ASN A 44 -1.609 1.127 2.209 1.00 0.00 C ATOM 699 C ASN A 44 -1.111 0.814 3.620 1.00 0.00 C ATOM 700 O ASN A 44 -1.538 1.445 4.588 1.00 0.00 O ATOM 701 CB ASN A 44 -2.149 2.561 2.174 1.00 0.00 C ATOM 702 CG ASN A 44 -2.474 3.044 0.772 1.00 0.00 C ATOM 703 OD1 ASN A 44 -2.501 2.266 -0.178 1.00 0.00 O ATOM 704 ND2 ASN A 44 -2.729 4.338 0.641 1.00 0.00 N ATOM 0 H ASN A 44 -3.302 -0.061 2.553 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.780 1.032 1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.047 2.619 2.789 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.414 3.230 2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.959 4.722 -0.276 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.696 4.949 1.457 1.00 0.00 H new ATOM 711 N PHE A 45 -0.204 -0.151 3.736 1.00 0.00 N ATOM 712 CA PHE A 45 0.340 -0.528 5.040 1.00 0.00 C ATOM 713 C PHE A 45 1.503 0.371 5.419 1.00 0.00 C ATOM 714 O PHE A 45 2.086 1.043 4.570 1.00 0.00 O ATOM 715 CB PHE A 45 0.799 -1.987 5.033 1.00 0.00 C ATOM 716 CG PHE A 45 -0.149 -2.892 4.302 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.290 -3.368 4.928 1.00 0.00 C ATOM 718 CD2 PHE A 45 0.089 -3.249 2.987 1.00 0.00 C ATOM 719 CE1 PHE A 45 -2.176 -4.182 4.252 1.00 0.00 C ATOM 720 CE2 PHE A 45 -0.792 -4.066 2.307 1.00 0.00 C ATOM 721 CZ PHE A 45 -1.927 -4.532 2.939 1.00 0.00 C ATOM 0 H PHE A 45 0.169 -0.684 2.950 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.453 -0.409 5.779 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.784 -2.051 4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.906 -2.334 6.061 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.488 -3.099 5.955 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.974 -2.885 2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.063 -4.545 4.749 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.593 -4.340 1.281 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.619 -5.169 2.408 1.00 0.00 H new ATOM 731 N LYS A 46 1.837 0.380 6.701 1.00 0.00 N ATOM 732 CA LYS A 46 2.933 1.198 7.198 1.00 0.00 C ATOM 733 C LYS A 46 4.244 0.424 7.186 1.00 0.00 C ATOM 734 O LYS A 46 5.324 1.011 7.263 1.00 0.00 O ATOM 735 CB LYS A 46 2.628 1.680 8.616 1.00 0.00 C ATOM 736 CG LYS A 46 2.455 3.183 8.711 1.00 0.00 C ATOM 737 CD LYS A 46 1.342 3.558 9.676 1.00 0.00 C ATOM 738 CE LYS A 46 -0.013 3.081 9.179 1.00 0.00 C ATOM 739 NZ LYS A 46 -0.510 1.910 9.954 1.00 0.00 N ATOM 0 H LYS A 46 1.364 -0.171 7.417 1.00 0.00 H new ATOM 0 HA LYS A 46 3.038 2.059 6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.720 1.193 8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.436 1.371 9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.390 3.637 9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.233 3.587 7.723 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.545 3.122 10.654 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.322 4.640 9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.733 3.896 9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.061 2.813 8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.869 1.187 9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.268 1.511 10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.276 2.213 10.588 1.00 0.00 H new ATOM 753 N SER A 47 4.147 -0.895 7.091 1.00 0.00 N ATOM 754 CA SER A 47 5.333 -1.737 7.077 1.00 0.00 C ATOM 755 C SER A 47 5.146 -2.963 6.194 1.00 0.00 C ATOM 756 O SER A 47 4.030 -3.451 6.005 1.00 0.00 O ATOM 757 CB SER A 47 5.693 -2.176 8.498 1.00 0.00 C ATOM 758 OG SER A 47 4.620 -1.943 9.394 1.00 0.00 O ATOM 0 H SER A 47 3.264 -1.402 7.023 1.00 0.00 H new ATOM 0 HA SER A 47 6.147 -1.143 6.662 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.948 -3.236 8.500 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.576 -1.634 8.836 1.00 0.00 H new ATOM 0 HG SER A 47 4.876 -2.234 10.294 1.00 0.00 H new ATOM 764 N ALA A 48 6.258 -3.467 5.672 1.00 0.00 N ATOM 765 CA ALA A 48 6.232 -4.647 4.822 1.00 0.00 C ATOM 766 C ALA A 48 5.576 -5.811 5.554 1.00 0.00 C ATOM 767 O ALA A 48 4.916 -6.651 4.943 1.00 0.00 O ATOM 768 CB ALA A 48 7.642 -5.015 4.384 1.00 0.00 C ATOM 0 H ALA A 48 7.188 -3.076 5.823 1.00 0.00 H new ATOM 0 HA ALA A 48 5.643 -4.424 3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.606 -5.900 3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.078 -4.186 3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.253 -5.223 5.262 1.00 0.00 H new ATOM 774 N GLU A 49 5.757 -5.845 6.873 1.00 0.00 N ATOM 775 CA GLU A 49 5.175 -6.898 7.693 1.00 0.00 C ATOM 776 C GLU A 49 3.657 -6.827 7.642 1.00 0.00 C ATOM 777 O GLU A 49 2.990 -7.827 7.380 1.00 0.00 O ATOM 778 CB GLU A 49 5.655 -6.781 9.142 1.00 0.00 C ATOM 779 CG GLU A 49 7.142 -7.043 9.315 1.00 0.00 C ATOM 780 CD GLU A 49 7.974 -5.778 9.221 1.00 0.00 C ATOM 781 OE1 GLU A 49 7.399 -4.678 9.358 1.00 0.00 O ATOM 782 OE2 GLU A 49 9.200 -5.889 9.010 1.00 0.00 O ATOM 0 H GLU A 49 6.301 -5.156 7.393 1.00 0.00 H new ATOM 0 HA GLU A 49 5.499 -7.860 7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.425 -5.782 9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.097 -7.485 9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.314 -7.515 10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.474 -7.749 8.553 1.00 0.00 H new ATOM 789 N ASP A 50 3.113 -5.636 7.879 1.00 0.00 N ATOM 790 CA ASP A 50 1.670 -5.444 7.837 1.00 0.00 C ATOM 791 C ASP A 50 1.141 -5.890 6.482 1.00 0.00 C ATOM 792 O ASP A 50 0.071 -6.494 6.382 1.00 0.00 O ATOM 793 CB ASP A 50 1.312 -3.977 8.084 1.00 0.00 C ATOM 794 CG ASP A 50 1.300 -3.625 9.560 1.00 0.00 C ATOM 795 OD1 ASP A 50 2.122 -4.189 10.312 1.00 0.00 O ATOM 796 OD2 ASP A 50 0.469 -2.785 9.963 1.00 0.00 O ATOM 0 H ASP A 50 3.647 -4.796 8.101 1.00 0.00 H new ATOM 0 HA ASP A 50 1.211 -6.043 8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.029 -3.339 7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.332 -3.768 7.655 1.00 0.00 H new ATOM 801 N CYS A 51 1.922 -5.608 5.444 1.00 0.00 N ATOM 802 CA CYS A 51 1.566 -5.993 4.089 1.00 0.00 C ATOM 803 C CYS A 51 1.409 -7.501 4.007 1.00 0.00 C ATOM 804 O CYS A 51 0.313 -8.016 3.788 1.00 0.00 O ATOM 805 CB CYS A 51 2.658 -5.536 3.124 1.00 0.00 C ATOM 806 SG CYS A 51 2.072 -5.142 1.444 1.00 0.00 S ATOM 0 H CYS A 51 2.810 -5.111 5.520 1.00 0.00 H new ATOM 0 HA CYS A 51 0.622 -5.520 3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.146 -4.655 3.540 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.415 -6.318 3.056 1.00 0.00 H new ATOM 811 N LEU A 52 2.516 -8.207 4.212 1.00 0.00 N ATOM 812 CA LEU A 52 2.504 -9.664 4.182 1.00 0.00 C ATOM 813 C LEU A 52 1.428 -10.200 5.119 1.00 0.00 C ATOM 814 O LEU A 52 0.801 -11.223 4.854 1.00 0.00 O ATOM 815 CB LEU A 52 3.873 -10.222 4.582 1.00 0.00 C ATOM 816 CG LEU A 52 5.049 -9.721 3.740 1.00 0.00 C ATOM 817 CD1 LEU A 52 6.366 -10.221 4.316 1.00 0.00 C ATOM 818 CD2 LEU A 52 4.896 -10.164 2.291 1.00 0.00 C ATOM 0 H LEU A 52 3.430 -7.795 4.400 1.00 0.00 H new ATOM 0 HA LEU A 52 2.281 -9.986 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.060 -9.970 5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.838 -11.310 4.518 1.00 0.00 H new ATOM 0 HG LEU A 52 5.053 -8.631 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.192 -9.856 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.479 -9.855 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.371 -11.311 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.741 -9.799 1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.867 -11.253 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.971 -9.758 1.882 1.00 0.00 H new ATOM 830 N ARG A 53 1.203 -9.490 6.214 1.00 0.00 N ATOM 831 CA ARG A 53 0.190 -9.891 7.176 1.00 0.00 C ATOM 832 C ARG A 53 -1.206 -9.729 6.584 1.00 0.00 C ATOM 833 O ARG A 53 -2.137 -10.433 6.971 1.00 0.00 O ATOM 834 CB ARG A 53 0.313 -9.066 8.459 1.00 0.00 C ATOM 835 CG ARG A 53 0.098 -9.875 9.727 1.00 0.00 C ATOM 836 CD ARG A 53 -0.321 -8.991 10.891 1.00 0.00 C ATOM 837 NE ARG A 53 -1.333 -9.632 11.727 1.00 0.00 N ATOM 838 CZ ARG A 53 -1.824 -9.093 12.840 1.00 0.00 C ATOM 839 NH1 ARG A 53 -1.401 -7.905 13.253 1.00 0.00 N ATOM 840 NH2 ARG A 53 -2.742 -9.742 13.542 1.00 0.00 N ATOM 0 H ARG A 53 1.706 -8.637 6.457 1.00 0.00 H new ATOM 0 HA ARG A 53 0.348 -10.942 7.418 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.302 -8.609 8.493 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.413 -8.253 8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.666 -10.632 9.551 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.017 -10.403 9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.552 -8.752 11.498 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.711 -8.048 10.508 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.684 -10.546 11.441 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.696 -7.400 12.716 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.781 -7.497 14.107 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.072 -10.655 13.229 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.118 -9.329 14.395 1.00 0.00 H new ATOM 854 N THR A 54 -1.348 -8.791 5.647 1.00 0.00 N ATOM 855 CA THR A 54 -2.644 -8.536 5.022 1.00 0.00 C ATOM 856 C THR A 54 -2.796 -9.242 3.672 1.00 0.00 C ATOM 857 O THR A 54 -3.841 -9.829 3.392 1.00 0.00 O ATOM 858 CB THR A 54 -2.848 -7.032 4.839 1.00 0.00 C ATOM 859 OG1 THR A 54 -2.609 -6.341 6.054 1.00 0.00 O ATOM 860 CG2 THR A 54 -4.243 -6.673 4.373 1.00 0.00 C ATOM 0 H THR A 54 -0.589 -8.201 5.307 1.00 0.00 H new ATOM 0 HA THR A 54 -3.405 -8.941 5.689 1.00 0.00 H new ATOM 0 HB THR A 54 -2.136 -6.734 4.070 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.050 -5.555 5.879 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.323 -5.592 4.262 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.441 -7.151 3.414 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.972 -7.017 5.107 1.00 0.00 H new ATOM 868 N CYS A 55 -1.776 -9.156 2.818 1.00 0.00 N ATOM 869 CA CYS A 55 -1.851 -9.765 1.493 1.00 0.00 C ATOM 870 C CYS A 55 -0.900 -10.951 1.325 1.00 0.00 C ATOM 871 O CYS A 55 -0.826 -11.536 0.244 1.00 0.00 O ATOM 872 CB CYS A 55 -1.546 -8.716 0.425 1.00 0.00 C ATOM 873 SG CYS A 55 -2.927 -7.577 0.084 1.00 0.00 S ATOM 0 H CYS A 55 -0.898 -8.676 3.018 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.866 -10.147 1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.679 -8.135 0.739 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.271 -9.224 -0.500 1.00 0.00 H new ATOM 878 N GLY A 56 -0.170 -11.307 2.376 1.00 0.00 N ATOM 879 CA GLY A 56 0.756 -12.426 2.276 1.00 0.00 C ATOM 880 C GLY A 56 0.044 -13.739 2.010 1.00 0.00 C ATOM 881 O GLY A 56 -0.334 -14.026 0.875 1.00 0.00 O ATOM 0 H GLY A 56 -0.200 -10.849 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.470 -12.234 1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.328 -12.506 3.201 1.00 0.00 H new ATOM 885 N GLY A 57 -0.140 -14.538 3.057 1.00 0.00 N ATOM 886 CA GLY A 57 -0.809 -15.817 2.901 1.00 0.00 C ATOM 887 C GLY A 57 -0.757 -16.658 4.161 1.00 0.00 C ATOM 888 O GLY A 57 -0.430 -16.158 5.237 1.00 0.00 O ATOM 0 H GLY A 57 0.161 -14.323 4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.850 -15.647 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.347 -16.367 2.082 1.00 0.00 H new ATOM 892 N ALA A 58 -1.076 -17.942 4.025 1.00 0.00 N ATOM 893 CA ALA A 58 -1.061 -18.859 5.159 1.00 0.00 C ATOM 894 C ALA A 58 -0.478 -20.211 4.760 1.00 0.00 C ATOM 895 O ALA A 58 0.637 -20.532 5.220 1.00 0.00 O ATOM 896 CB ALA A 58 -2.466 -19.032 5.718 1.00 0.00 C ATOM 897 OXT ALA A 58 -1.143 -20.938 3.993 1.00 0.00 O ATOM 0 H ALA A 58 -1.348 -18.371 3.140 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.425 -18.431 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.439 -19.719 6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.848 -18.066 6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.119 -19.435 4.944 1.00 0.00 H new TER 903 ALA A 58