USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 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+ 141:sc= -0.207 (180deg=-0.761) 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= -0.619 K(o=-0.62,f=-14!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.216 K(o=-0.22,f=-1.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 15:sc= -4.64! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= -0.237 (180deg=-0.237) USER MOD Single : A 43 ASN : amide:sc= 0.212 K(o=0.21,f=-2.3!) USER MOD Single : A 44 ASN : amide:sc= -2.4! C(o=-2.4!,f=-5.5!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 138:sc= 0.481 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -5.455 -15.303 -2.303 1.00 0.00 N ATOM 2 CA ARG A 1 -5.227 -13.936 -1.755 1.00 0.00 C ATOM 3 C ARG A 1 -6.496 -13.087 -1.818 1.00 0.00 C ATOM 4 O ARG A 1 -7.264 -13.178 -2.775 1.00 0.00 O ATOM 5 CB ARG A 1 -4.111 -13.263 -2.557 1.00 0.00 C ATOM 6 CG ARG A 1 -4.449 -13.077 -4.028 1.00 0.00 C ATOM 7 CD ARG A 1 -3.197 -13.058 -4.891 1.00 0.00 C ATOM 8 NE ARG A 1 -3.428 -13.654 -6.206 1.00 0.00 N ATOM 9 CZ ARG A 1 -3.401 -14.965 -6.442 1.00 0.00 C ATOM 10 NH1 ARG A 1 -3.157 -15.819 -5.458 1.00 0.00 N ATOM 11 NH2 ARG A 1 -3.619 -15.420 -7.668 1.00 0.00 N ATOM 0 H1 ARG A 1 -4.621 -15.602 -2.848 1.00 0.00 H new ATOM 0 H2 ARG A 1 -5.614 -15.969 -1.520 1.00 0.00 H new ATOM 0 H3 ARG A 1 -6.289 -15.293 -2.924 1.00 0.00 H new ATOM 0 HA ARG A 1 -4.941 -14.024 -0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -3.894 -12.290 -2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -3.203 -13.861 -2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -5.106 -13.883 -4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -4.998 -12.145 -4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -2.857 -12.030 -5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -2.399 -13.599 -4.383 1.00 0.00 H new ATOM 0 HE ARG A 1 -3.621 -13.029 -6.989 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -2.988 -15.474 -4.513 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -3.138 -16.821 -5.646 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -3.807 -14.767 -8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -3.599 -16.423 -7.851 1.00 0.00 H new ATOM 27 N PRO A 2 -6.737 -12.252 -0.793 1.00 0.00 N ATOM 28 CA PRO A 2 -7.923 -11.394 -0.745 1.00 0.00 C ATOM 29 C PRO A 2 -8.082 -10.546 -2.004 1.00 0.00 C ATOM 30 O PRO A 2 -7.100 -10.106 -2.600 1.00 0.00 O ATOM 31 CB PRO A 2 -7.671 -10.495 0.460 1.00 0.00 C ATOM 32 CG PRO A 2 -6.731 -11.252 1.325 1.00 0.00 C ATOM 33 CD PRO A 2 -5.883 -12.084 0.401 1.00 0.00 C ATOM 0 HA PRO A 2 -8.838 -11.982 -0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.243 -9.540 0.155 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.599 -10.274 0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.114 -10.574 1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.273 -11.883 2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.946 -11.584 0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.625 -13.044 0.848 1.00 0.00 H new ATOM 41 N ASP A 3 -9.328 -10.319 -2.398 1.00 0.00 N ATOM 42 CA ASP A 3 -9.626 -9.525 -3.586 1.00 0.00 C ATOM 43 C ASP A 3 -8.996 -8.138 -3.509 1.00 0.00 C ATOM 44 O ASP A 3 -8.360 -7.682 -4.459 1.00 0.00 O ATOM 45 CB ASP A 3 -11.139 -9.392 -3.763 1.00 0.00 C ATOM 46 CG ASP A 3 -11.833 -8.974 -2.481 1.00 0.00 C ATOM 47 OD1 ASP A 3 -11.676 -9.683 -1.465 1.00 0.00 O ATOM 48 OD2 ASP A 3 -12.529 -7.938 -2.494 1.00 0.00 O ATOM 0 H ASP A 3 -10.152 -10.674 -1.912 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.199 -10.044 -4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.349 -8.660 -4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.548 -10.344 -4.102 1.00 0.00 H new ATOM 53 N PHE A 4 -9.185 -7.462 -2.378 1.00 0.00 N ATOM 54 CA PHE A 4 -8.654 -6.125 -2.184 1.00 0.00 C ATOM 55 C PHE A 4 -7.156 -6.051 -2.487 1.00 0.00 C ATOM 56 O PHE A 4 -6.634 -4.982 -2.808 1.00 0.00 O ATOM 57 CB PHE A 4 -8.940 -5.663 -0.756 1.00 0.00 C ATOM 58 CG PHE A 4 -8.147 -6.383 0.297 1.00 0.00 C ATOM 59 CD1 PHE A 4 -6.799 -6.115 0.477 1.00 0.00 C ATOM 60 CD2 PHE A 4 -8.754 -7.325 1.110 1.00 0.00 C ATOM 61 CE1 PHE A 4 -6.072 -6.777 1.449 1.00 0.00 C ATOM 62 CE2 PHE A 4 -8.034 -7.988 2.083 1.00 0.00 C ATOM 63 CZ PHE A 4 -6.692 -7.715 2.252 1.00 0.00 C ATOM 0 H PHE A 4 -9.706 -7.826 -1.580 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.152 -5.459 -2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.733 -4.595 -0.684 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.002 -5.796 -0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.312 -5.382 -0.148 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.804 -7.544 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.022 -6.561 1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.520 -8.720 2.711 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.127 -8.234 3.012 1.00 0.00 H new ATOM 73 N CYS A 5 -6.462 -7.187 -2.407 1.00 0.00 N ATOM 74 CA CYS A 5 -5.031 -7.207 -2.695 1.00 0.00 C ATOM 75 C CYS A 5 -4.758 -6.639 -4.085 1.00 0.00 C ATOM 76 O CYS A 5 -3.661 -6.156 -4.365 1.00 0.00 O ATOM 77 CB CYS A 5 -4.467 -8.625 -2.587 1.00 0.00 C ATOM 78 SG CYS A 5 -4.336 -9.240 -0.877 1.00 0.00 S ATOM 0 H CYS A 5 -6.861 -8.090 -2.150 1.00 0.00 H new ATOM 0 HA CYS A 5 -4.532 -6.583 -1.954 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.102 -9.302 -3.159 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -3.479 -8.649 -3.048 1.00 0.00 H new ATOM 83 N LEU A 6 -5.770 -6.686 -4.947 1.00 0.00 N ATOM 84 CA LEU A 6 -5.648 -6.163 -6.302 1.00 0.00 C ATOM 85 C LEU A 6 -6.138 -4.719 -6.369 1.00 0.00 C ATOM 86 O LEU A 6 -6.700 -4.293 -7.378 1.00 0.00 O ATOM 87 CB LEU A 6 -6.446 -7.027 -7.285 1.00 0.00 C ATOM 88 CG LEU A 6 -6.221 -8.535 -7.158 1.00 0.00 C ATOM 89 CD1 LEU A 6 -7.498 -9.297 -7.485 1.00 0.00 C ATOM 90 CD2 LEU A 6 -5.082 -8.980 -8.064 1.00 0.00 C ATOM 0 H LEU A 6 -6.685 -7.082 -4.730 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.594 -6.190 -6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.507 -6.821 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.193 -6.722 -8.300 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.947 -8.758 -6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.318 -10.368 -7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.287 -8.999 -6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.805 -9.071 -8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.935 -10.055 -7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.327 -8.744 -9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.167 -8.460 -7.780 1.00 0.00 H new ATOM 102 N GLU A 7 -5.928 -3.972 -5.288 1.00 0.00 N ATOM 103 CA GLU A 7 -6.354 -2.579 -5.230 1.00 0.00 C ATOM 104 C GLU A 7 -5.156 -1.635 -5.362 1.00 0.00 C ATOM 105 O GLU A 7 -4.287 -1.603 -4.490 1.00 0.00 O ATOM 106 CB GLU A 7 -7.090 -2.310 -3.916 1.00 0.00 C ATOM 107 CG GLU A 7 -7.889 -1.018 -3.922 1.00 0.00 C ATOM 108 CD GLU A 7 -7.670 -0.190 -2.670 1.00 0.00 C ATOM 109 OE1 GLU A 7 -6.560 -0.256 -2.100 1.00 0.00 O ATOM 110 OE2 GLU A 7 -8.610 0.521 -2.257 1.00 0.00 O ATOM 0 H GLU A 7 -5.466 -4.308 -4.443 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.030 -2.393 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.762 -3.143 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.365 -2.276 -3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.612 -0.428 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.949 -1.252 -4.018 1.00 0.00 H new ATOM 117 N PRO A 8 -5.092 -0.851 -6.458 1.00 0.00 N ATOM 118 CA PRO A 8 -3.994 0.092 -6.690 1.00 0.00 C ATOM 119 C PRO A 8 -3.744 1.005 -5.491 1.00 0.00 C ATOM 120 O PRO A 8 -4.647 1.267 -4.697 1.00 0.00 O ATOM 121 CB PRO A 8 -4.469 0.912 -7.890 1.00 0.00 C ATOM 122 CG PRO A 8 -5.416 0.017 -8.609 1.00 0.00 C ATOM 123 CD PRO A 8 -6.082 -0.823 -7.553 1.00 0.00 C ATOM 0 HA PRO A 8 -3.049 -0.425 -6.857 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.958 1.832 -7.572 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.634 1.200 -8.529 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.152 0.596 -9.167 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.890 -0.609 -9.330 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.026 -0.386 -7.229 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.304 -1.825 -7.919 1.00 0.00 H new ATOM 131 N PRO A 9 -2.505 1.506 -5.354 1.00 0.00 N ATOM 132 CA PRO A 9 -2.122 2.396 -4.249 1.00 0.00 C ATOM 133 C PRO A 9 -2.640 3.824 -4.429 1.00 0.00 C ATOM 134 O PRO A 9 -2.594 4.376 -5.528 1.00 0.00 O ATOM 135 CB PRO A 9 -0.595 2.380 -4.313 1.00 0.00 C ATOM 136 CG PRO A 9 -0.280 2.136 -5.746 1.00 0.00 C ATOM 137 CD PRO A 9 -1.375 1.244 -6.268 1.00 0.00 C ATOM 0 HA PRO A 9 -2.539 2.065 -3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.174 3.325 -3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.180 1.598 -3.677 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.242 3.073 -6.302 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.695 1.661 -5.855 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.630 1.485 -7.300 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.080 0.195 -6.250 1.00 0.00 H new ATOM 145 N TYR A 10 -3.119 4.422 -3.337 1.00 0.00 N ATOM 146 CA TYR A 10 -3.630 5.794 -3.372 1.00 0.00 C ATOM 147 C TYR A 10 -2.651 6.743 -2.686 1.00 0.00 C ATOM 148 O TYR A 10 -2.123 6.439 -1.617 1.00 0.00 O ATOM 149 CB TYR A 10 -5.001 5.883 -2.693 1.00 0.00 C ATOM 150 CG TYR A 10 -5.870 6.993 -3.240 1.00 0.00 C ATOM 151 CD1 TYR A 10 -6.362 6.937 -4.538 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.193 8.099 -2.463 1.00 0.00 C ATOM 153 CE1 TYR A 10 -7.151 7.951 -5.046 1.00 0.00 C ATOM 154 CE2 TYR A 10 -6.983 9.116 -2.963 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.459 9.037 -4.255 1.00 0.00 C ATOM 156 OH TYR A 10 -8.246 10.048 -4.757 1.00 0.00 O ATOM 0 H TYR A 10 -3.164 3.979 -2.419 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.739 6.087 -4.416 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.520 4.932 -2.813 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.859 6.036 -1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.124 6.087 -5.160 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.820 8.165 -1.451 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.525 7.893 -6.058 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.226 9.968 -2.346 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.369 10.738 -4.072 1.00 0.00 H new ATOM 166 N THR A 11 -2.405 7.887 -3.314 1.00 0.00 N ATOM 167 CA THR A 11 -1.475 8.879 -2.775 1.00 0.00 C ATOM 168 C THR A 11 -2.194 10.182 -2.409 1.00 0.00 C ATOM 169 O THR A 11 -1.614 11.057 -1.769 1.00 0.00 O ATOM 170 CB THR A 11 -0.379 9.169 -3.805 1.00 0.00 C ATOM 171 OG1 THR A 11 0.371 8.000 -4.083 1.00 0.00 O ATOM 172 CG2 THR A 11 0.596 10.246 -3.372 1.00 0.00 C ATOM 0 H THR A 11 -2.836 8.153 -4.199 1.00 0.00 H new ATOM 0 HA THR A 11 -1.034 8.470 -1.866 1.00 0.00 H new ATOM 0 HB THR A 11 -0.910 9.522 -4.689 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.065 8.206 -4.744 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.343 10.396 -4.152 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.057 11.178 -3.202 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.091 9.940 -2.450 1.00 0.00 H new ATOM 180 N GLY A 12 -3.455 10.306 -2.818 1.00 0.00 N ATOM 181 CA GLY A 12 -4.223 11.490 -2.520 1.00 0.00 C ATOM 182 C GLY A 12 -3.558 12.771 -3.004 1.00 0.00 C ATOM 183 O GLY A 12 -2.402 12.749 -3.430 1.00 0.00 O ATOM 0 H GLY A 12 -3.956 9.598 -3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.207 11.403 -2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.379 11.553 -1.443 1.00 0.00 H new ATOM 187 N PRO A 13 -4.280 13.908 -2.978 1.00 0.00 N ATOM 188 CA PRO A 13 -3.754 15.195 -3.440 1.00 0.00 C ATOM 189 C PRO A 13 -2.935 15.942 -2.384 1.00 0.00 C ATOM 190 O PRO A 13 -2.488 17.065 -2.623 1.00 0.00 O ATOM 191 CB PRO A 13 -5.025 15.971 -3.770 1.00 0.00 C ATOM 192 CG PRO A 13 -6.033 15.467 -2.795 1.00 0.00 C ATOM 193 CD PRO A 13 -5.682 14.025 -2.521 1.00 0.00 C ATOM 0 HA PRO A 13 -3.061 15.070 -4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.873 17.045 -3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.343 15.794 -4.797 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.010 16.053 -1.876 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.041 15.550 -3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.779 13.784 -1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.337 13.344 -3.064 1.00 0.00 H new ATOM 201 N CYS A 14 -2.738 15.327 -1.223 1.00 0.00 N ATOM 202 CA CYS A 14 -1.968 15.958 -0.152 1.00 0.00 C ATOM 203 C CYS A 14 -0.555 16.277 -0.608 1.00 0.00 C ATOM 204 O CYS A 14 -0.170 15.986 -1.740 1.00 0.00 O ATOM 205 CB CYS A 14 -1.933 15.069 1.090 1.00 0.00 C ATOM 206 SG CYS A 14 -3.339 15.331 2.215 1.00 0.00 S ATOM 0 H CYS A 14 -3.097 14.399 -0.998 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.465 16.894 0.104 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.918 14.025 0.778 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.006 15.253 1.632 1.00 0.00 H new ATOM 211 N ARG A 15 0.198 16.909 0.278 1.00 0.00 N ATOM 212 CA ARG A 15 1.567 17.309 -0.031 1.00 0.00 C ATOM 213 C ARG A 15 2.587 16.682 0.924 1.00 0.00 C ATOM 214 O ARG A 15 3.583 17.315 1.275 1.00 0.00 O ATOM 215 CB ARG A 15 1.677 18.836 0.015 1.00 0.00 C ATOM 216 CG ARG A 15 1.920 19.472 -1.345 1.00 0.00 C ATOM 217 CD ARG A 15 3.148 20.369 -1.328 1.00 0.00 C ATOM 218 NE ARG A 15 2.949 21.586 -2.110 1.00 0.00 N ATOM 219 CZ ARG A 15 3.896 22.501 -2.305 1.00 0.00 C ATOM 220 NH1 ARG A 15 5.102 22.339 -1.776 1.00 0.00 N ATOM 221 NH2 ARG A 15 3.639 23.581 -3.029 1.00 0.00 N ATOM 0 H ARG A 15 -0.113 17.157 1.217 1.00 0.00 H new ATOM 0 HA ARG A 15 1.799 16.946 -1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.760 19.245 0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.490 19.113 0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.048 18.692 -2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.046 20.055 -1.637 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.388 20.635 -0.299 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.003 19.820 -1.723 1.00 0.00 H new ATOM 0 HE ARG A 15 2.033 21.744 -2.530 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.307 21.511 -1.217 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.824 23.043 -1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.714 23.712 -3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.366 24.281 -3.177 1.00 0.00 H new ATOM 235 N VAL A 16 2.354 15.435 1.327 1.00 0.00 N ATOM 236 CA VAL A 16 3.285 14.747 2.224 1.00 0.00 C ATOM 237 C VAL A 16 4.166 13.768 1.444 1.00 0.00 C ATOM 238 O VAL A 16 4.009 13.603 0.235 1.00 0.00 O ATOM 239 CB VAL A 16 2.568 13.966 3.356 1.00 0.00 C ATOM 240 CG1 VAL A 16 3.453 13.909 4.594 1.00 0.00 C ATOM 241 CG2 VAL A 16 1.212 14.570 3.703 1.00 0.00 C ATOM 0 H VAL A 16 1.540 14.885 1.052 1.00 0.00 H new ATOM 0 HA VAL A 16 3.892 15.529 2.680 1.00 0.00 H new ATOM 0 HB VAL A 16 2.387 12.955 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.940 13.359 5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.389 13.406 4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.665 14.922 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.748 13.989 4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.346 15.599 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.570 14.554 2.822 1.00 0.00 H new ATOM 251 N ARG A 17 5.096 13.125 2.149 1.00 0.00 N ATOM 252 CA ARG A 17 6.003 12.158 1.537 1.00 0.00 C ATOM 253 C ARG A 17 6.101 10.912 2.414 1.00 0.00 C ATOM 254 O ARG A 17 6.974 10.815 3.276 1.00 0.00 O ATOM 255 CB ARG A 17 7.392 12.767 1.343 1.00 0.00 C ATOM 256 CG ARG A 17 7.608 13.373 -0.035 1.00 0.00 C ATOM 257 CD ARG A 17 8.546 12.521 -0.875 1.00 0.00 C ATOM 258 NE ARG A 17 9.849 12.345 -0.233 1.00 0.00 N ATOM 259 CZ ARG A 17 10.413 11.163 0.011 1.00 0.00 C ATOM 260 NH1 ARG A 17 9.797 10.034 -0.322 1.00 0.00 N ATOM 261 NH2 ARG A 17 11.602 11.108 0.593 1.00 0.00 N ATOM 0 H ARG A 17 5.240 13.258 3.150 1.00 0.00 H new ATOM 0 HA ARG A 17 5.607 11.882 0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.550 13.538 2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.144 11.996 1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.650 13.472 -0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.020 14.377 0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.092 11.545 -1.048 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.683 12.987 -1.851 1.00 0.00 H new ATOM 0 HE ARG A 17 10.359 13.183 0.046 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.881 10.066 -0.770 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.240 9.136 -0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.083 11.969 0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.036 10.205 0.781 1.00 0.00 H new ATOM 275 N ILE A 18 5.194 9.967 2.190 1.00 0.00 N ATOM 276 CA ILE A 18 5.164 8.732 2.963 1.00 0.00 C ATOM 277 C ILE A 18 5.406 7.517 2.073 1.00 0.00 C ATOM 278 O ILE A 18 4.573 7.167 1.237 1.00 0.00 O ATOM 279 CB ILE A 18 3.809 8.572 3.699 1.00 0.00 C ATOM 280 CG1 ILE A 18 3.617 9.708 4.713 1.00 0.00 C ATOM 281 CG2 ILE A 18 3.710 7.217 4.391 1.00 0.00 C ATOM 282 CD1 ILE A 18 2.390 9.548 5.592 1.00 0.00 C ATOM 0 H ILE A 18 4.468 10.034 1.477 1.00 0.00 H new ATOM 0 HA ILE A 18 5.965 8.792 3.700 1.00 0.00 H new ATOM 0 HB ILE A 18 3.014 8.625 2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.501 9.768 5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.546 10.653 4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.748 7.137 4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.797 6.423 3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.514 7.122 5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.324 10.390 6.281 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.497 9.519 4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.467 8.620 6.159 1.00 0.00 H new ATOM 294 N ILE A 19 6.548 6.870 2.272 1.00 0.00 N ATOM 295 CA ILE A 19 6.896 5.683 1.512 1.00 0.00 C ATOM 296 C ILE A 19 6.049 4.511 1.989 1.00 0.00 C ATOM 297 O ILE A 19 6.473 3.732 2.843 1.00 0.00 O ATOM 298 CB ILE A 19 8.393 5.334 1.669 1.00 0.00 C ATOM 299 CG1 ILE A 19 9.266 6.453 1.096 1.00 0.00 C ATOM 300 CG2 ILE A 19 8.714 4.006 0.998 1.00 0.00 C ATOM 301 CD1 ILE A 19 9.045 6.708 -0.379 1.00 0.00 C ATOM 0 H ILE A 19 7.249 7.152 2.957 1.00 0.00 H new ATOM 0 HA ILE A 19 6.702 5.883 0.458 1.00 0.00 H new ATOM 0 HB ILE A 19 8.611 5.236 2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.069 7.373 1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.314 6.202 1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.774 3.782 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.120 3.215 1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.479 4.069 -0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.699 7.514 -0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.270 5.803 -0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.006 6.991 -0.548 1.00 0.00 H new ATOM 313 N ARG A 20 4.844 4.403 1.448 1.00 0.00 N ATOM 314 CA ARG A 20 3.935 3.332 1.843 1.00 0.00 C ATOM 315 C ARG A 20 4.209 2.059 1.066 1.00 0.00 C ATOM 316 O ARG A 20 5.010 2.046 0.134 1.00 0.00 O ATOM 317 CB ARG A 20 2.481 3.755 1.650 1.00 0.00 C ATOM 318 CG ARG A 20 1.910 4.543 2.812 1.00 0.00 C ATOM 319 CD ARG A 20 1.925 3.741 4.106 1.00 0.00 C ATOM 320 NE ARG A 20 2.032 4.605 5.278 1.00 0.00 N ATOM 321 CZ ARG A 20 1.010 5.286 5.791 1.00 0.00 C ATOM 322 NH1 ARG A 20 -0.198 5.190 5.251 1.00 0.00 N ATOM 323 NH2 ARG A 20 1.197 6.066 6.846 1.00 0.00 N ATOM 0 H ARG A 20 4.473 5.037 0.740 1.00 0.00 H new ATOM 0 HA ARG A 20 4.108 3.133 2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.405 4.356 0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.872 2.865 1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.485 5.459 2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.887 4.840 2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.015 3.146 4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.762 3.043 4.091 1.00 0.00 H new ATOM 0 HE ARG A 20 2.942 4.692 5.730 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.347 4.592 4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.977 5.714 5.649 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.124 6.144 7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.414 6.588 7.239 1.00 0.00 H new ATOM 337 N TYR A 21 3.542 0.984 1.470 1.00 0.00 N ATOM 338 CA TYR A 21 3.709 -0.309 0.838 1.00 0.00 C ATOM 339 C TYR A 21 2.369 -0.860 0.355 1.00 0.00 C ATOM 340 O TYR A 21 1.342 -0.668 1.004 1.00 0.00 O ATOM 341 CB TYR A 21 4.314 -1.279 1.849 1.00 0.00 C ATOM 342 CG TYR A 21 5.758 -0.999 2.203 1.00 0.00 C ATOM 343 CD1 TYR A 21 6.794 -1.453 1.396 1.00 0.00 C ATOM 344 CD2 TYR A 21 6.086 -0.294 3.355 1.00 0.00 C ATOM 345 CE1 TYR A 21 8.114 -1.213 1.728 1.00 0.00 C ATOM 346 CE2 TYR A 21 7.405 -0.048 3.690 1.00 0.00 C ATOM 347 CZ TYR A 21 8.413 -0.509 2.875 1.00 0.00 C ATOM 348 OH TYR A 21 9.725 -0.266 3.205 1.00 0.00 O ATOM 0 H TYR A 21 2.875 0.989 2.241 1.00 0.00 H new ATOM 0 HA TYR A 21 4.366 -0.194 -0.024 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.718 -1.251 2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.241 -2.291 1.451 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.564 -2.002 0.495 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.298 0.068 3.999 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.908 -1.575 1.092 1.00 0.00 H new ATOM 0 HE2 TYR A 21 7.643 0.504 4.588 1.00 0.00 H new ATOM 0 HH TYR A 21 9.763 0.243 4.042 1.00 0.00 H new ATOM 358 N PHE A 22 2.388 -1.569 -0.768 1.00 0.00 N ATOM 359 CA PHE A 22 1.175 -2.175 -1.306 1.00 0.00 C ATOM 360 C PHE A 22 1.492 -3.507 -1.952 1.00 0.00 C ATOM 361 O PHE A 22 2.650 -3.825 -2.193 1.00 0.00 O ATOM 362 CB PHE A 22 0.476 -1.269 -2.320 1.00 0.00 C ATOM 363 CG PHE A 22 1.144 -1.217 -3.668 1.00 0.00 C ATOM 364 CD1 PHE A 22 2.366 -0.583 -3.835 1.00 0.00 C ATOM 365 CD2 PHE A 22 0.546 -1.812 -4.769 1.00 0.00 C ATOM 366 CE1 PHE A 22 2.978 -0.545 -5.075 1.00 0.00 C ATOM 367 CE2 PHE A 22 1.154 -1.777 -6.011 1.00 0.00 C ATOM 368 CZ PHE A 22 2.372 -1.143 -6.164 1.00 0.00 C ATOM 0 H PHE A 22 3.227 -1.738 -1.322 1.00 0.00 H new ATOM 0 HA PHE A 22 0.496 -2.324 -0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.550 -1.612 -2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.426 -0.259 -1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.845 -0.114 -2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.406 -2.309 -4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.930 -0.048 -5.192 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.677 -2.245 -6.860 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.850 -1.115 -7.132 1.00 0.00 H new ATOM 378 N TYR A 23 0.455 -4.268 -2.243 1.00 0.00 N ATOM 379 CA TYR A 23 0.622 -5.579 -2.867 1.00 0.00 C ATOM 380 C TYR A 23 0.439 -5.504 -4.380 1.00 0.00 C ATOM 381 O TYR A 23 -0.685 -5.523 -4.882 1.00 0.00 O ATOM 382 CB TYR A 23 -0.370 -6.583 -2.273 1.00 0.00 C ATOM 383 CG TYR A 23 -0.213 -7.972 -2.842 1.00 0.00 C ATOM 384 CD1 TYR A 23 0.824 -8.798 -2.423 1.00 0.00 C ATOM 385 CD2 TYR A 23 -1.084 -8.452 -3.811 1.00 0.00 C ATOM 386 CE1 TYR A 23 0.983 -10.065 -2.951 1.00 0.00 C ATOM 387 CE2 TYR A 23 -0.930 -9.716 -4.347 1.00 0.00 C ATOM 388 CZ TYR A 23 0.105 -10.519 -3.913 1.00 0.00 C ATOM 389 OH TYR A 23 0.263 -11.779 -4.445 1.00 0.00 O ATOM 0 H TYR A 23 -0.514 -4.007 -2.060 1.00 0.00 H new ATOM 0 HA TYR A 23 1.639 -5.914 -2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.236 -6.622 -1.192 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.386 -6.234 -2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.516 -8.444 -1.673 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.896 -7.826 -4.152 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.791 -10.697 -2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.615 -10.074 -5.101 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.439 -11.944 -5.109 1.00 0.00 H new ATOM 399 N ASN A 24 1.554 -5.435 -5.102 1.00 0.00 N ATOM 400 CA ASN A 24 1.527 -5.374 -6.551 1.00 0.00 C ATOM 401 C ASN A 24 1.190 -6.747 -7.131 1.00 0.00 C ATOM 402 O ASN A 24 1.860 -7.735 -6.831 1.00 0.00 O ATOM 403 CB ASN A 24 2.883 -4.887 -7.053 1.00 0.00 C ATOM 404 CG ASN A 24 2.897 -4.639 -8.549 1.00 0.00 C ATOM 405 OD1 ASN A 24 3.062 -5.567 -9.341 1.00 0.00 O ATOM 406 ND2 ASN A 24 2.726 -3.385 -8.944 1.00 0.00 N ATOM 0 H ASN A 24 2.491 -5.420 -4.699 1.00 0.00 H new ATOM 0 HA ASN A 24 0.756 -4.676 -6.877 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.149 -3.967 -6.533 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.645 -5.625 -6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.728 -3.159 -9.939 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.593 -2.646 -8.253 1.00 0.00 H new ATOM 413 N ALA A 25 0.140 -6.808 -7.952 1.00 0.00 N ATOM 414 CA ALA A 25 -0.292 -8.071 -8.555 1.00 0.00 C ATOM 415 C ALA A 25 0.510 -8.421 -9.808 1.00 0.00 C ATOM 416 O ALA A 25 0.095 -9.267 -10.599 1.00 0.00 O ATOM 417 CB ALA A 25 -1.776 -8.021 -8.879 1.00 0.00 C ATOM 0 H ALA A 25 -0.426 -6.001 -8.214 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.107 -8.857 -7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.083 -8.966 -9.327 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.343 -7.852 -7.963 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.968 -7.209 -9.580 1.00 0.00 H new ATOM 423 N LYS A 26 1.667 -7.789 -9.970 1.00 0.00 N ATOM 424 CA LYS A 26 2.536 -8.057 -11.112 1.00 0.00 C ATOM 425 C LYS A 26 3.817 -8.713 -10.622 1.00 0.00 C ATOM 426 O LYS A 26 4.354 -9.620 -11.258 1.00 0.00 O ATOM 427 CB LYS A 26 2.857 -6.763 -11.863 1.00 0.00 C ATOM 428 CG LYS A 26 2.509 -6.817 -13.343 1.00 0.00 C ATOM 429 CD LYS A 26 3.636 -6.268 -14.203 1.00 0.00 C ATOM 430 CE LYS A 26 3.656 -6.913 -15.581 1.00 0.00 C ATOM 431 NZ LYS A 26 5.000 -7.456 -15.921 1.00 0.00 N ATOM 0 H LYS A 26 2.026 -7.086 -9.324 1.00 0.00 H new ATOM 0 HA LYS A 26 2.023 -8.728 -11.801 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.313 -5.939 -11.400 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.919 -6.544 -11.756 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.300 -7.847 -13.631 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.600 -6.244 -13.525 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.522 -5.189 -14.308 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.591 -6.441 -13.706 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.920 -7.717 -15.616 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.361 -6.178 -16.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.971 -7.887 -16.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.698 -6.685 -15.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.271 -8.176 -15.221 1.00 0.00 H new ATOM 445 N ALA A 27 4.282 -8.257 -9.464 1.00 0.00 N ATOM 446 CA ALA A 27 5.481 -8.798 -8.849 1.00 0.00 C ATOM 447 C ALA A 27 5.110 -9.747 -7.707 1.00 0.00 C ATOM 448 O ALA A 27 5.962 -10.463 -7.184 1.00 0.00 O ATOM 449 CB ALA A 27 6.370 -7.673 -8.346 1.00 0.00 C ATOM 0 H ALA A 27 3.840 -7.508 -8.931 1.00 0.00 H new ATOM 0 HA ALA A 27 6.035 -9.363 -9.599 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.265 -8.094 -7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.656 -7.034 -9.182 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.827 -7.083 -7.608 1.00 0.00 H new ATOM 455 N GLY A 28 3.826 -9.750 -7.334 1.00 0.00 N ATOM 456 CA GLY A 28 3.356 -10.614 -6.287 1.00 0.00 C ATOM 457 C GLY A 28 3.855 -10.247 -4.909 1.00 0.00 C ATOM 458 O GLY A 28 3.546 -10.918 -3.925 1.00 0.00 O ATOM 0 H GLY A 28 3.107 -9.159 -7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.266 -10.600 -6.282 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.661 -11.636 -6.511 1.00 0.00 H new ATOM 462 N LEU A 29 4.630 -9.189 -4.843 1.00 0.00 N ATOM 463 CA LEU A 29 5.186 -8.725 -3.579 1.00 0.00 C ATOM 464 C LEU A 29 4.740 -7.300 -3.279 1.00 0.00 C ATOM 465 O LEU A 29 4.073 -6.661 -4.095 1.00 0.00 O ATOM 466 CB LEU A 29 6.715 -8.799 -3.610 1.00 0.00 C ATOM 467 CG LEU A 29 7.378 -8.106 -4.805 1.00 0.00 C ATOM 468 CD1 LEU A 29 8.092 -6.839 -4.358 1.00 0.00 C ATOM 469 CD2 LEU A 29 8.350 -9.047 -5.501 1.00 0.00 C ATOM 0 H LEU A 29 4.895 -8.626 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 29 4.815 -9.376 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.103 -8.356 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.012 -9.848 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 29 6.599 -7.831 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.557 -6.360 -5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.372 -6.155 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.859 -7.092 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.810 -8.535 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.124 -9.355 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.813 -9.926 -5.857 1.00 0.00 H new ATOM 481 N CYS A 30 5.115 -6.805 -2.106 1.00 0.00 N ATOM 482 CA CYS A 30 4.751 -5.454 -1.708 1.00 0.00 C ATOM 483 C CYS A 30 5.781 -4.432 -2.172 1.00 0.00 C ATOM 484 O CYS A 30 6.971 -4.556 -1.883 1.00 0.00 O ATOM 485 CB CYS A 30 4.569 -5.358 -0.191 1.00 0.00 C ATOM 486 SG CYS A 30 2.831 -5.230 0.345 1.00 0.00 S ATOM 0 H CYS A 30 5.668 -7.317 -1.418 1.00 0.00 H new ATOM 0 HA CYS A 30 3.802 -5.225 -2.193 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.017 -6.236 0.274 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.116 -4.489 0.175 1.00 0.00 H new ATOM 491 N GLN A 31 5.308 -3.409 -2.877 1.00 0.00 N ATOM 492 CA GLN A 31 6.184 -2.352 -3.363 1.00 0.00 C ATOM 493 C GLN A 31 5.883 -1.046 -2.643 1.00 0.00 C ATOM 494 O GLN A 31 4.843 -0.904 -2.001 1.00 0.00 O ATOM 495 CB GLN A 31 6.040 -2.166 -4.874 1.00 0.00 C ATOM 496 CG GLN A 31 6.151 -3.459 -5.669 1.00 0.00 C ATOM 497 CD GLN A 31 7.199 -3.380 -6.762 1.00 0.00 C ATOM 498 OE1 GLN A 31 8.161 -2.618 -6.662 1.00 0.00 O ATOM 499 NE2 GLN A 31 7.020 -4.170 -7.813 1.00 0.00 N ATOM 0 H GLN A 31 4.325 -3.291 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 31 7.213 -2.645 -3.154 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.075 -1.705 -5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.806 -1.472 -5.219 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.397 -4.278 -4.993 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.184 -3.693 -6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.208 -4.786 -7.855 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.694 -4.161 -8.579 1.00 0.00 H new ATOM 508 N THR A 32 6.803 -0.100 -2.747 1.00 0.00 N ATOM 509 CA THR A 32 6.650 1.190 -2.085 1.00 0.00 C ATOM 510 C THR A 32 6.179 2.285 -3.031 1.00 0.00 C ATOM 511 O THR A 32 6.351 2.193 -4.247 1.00 0.00 O ATOM 512 CB THR A 32 7.977 1.612 -1.460 1.00 0.00 C ATOM 513 OG1 THR A 32 8.997 1.670 -2.437 1.00 0.00 O ATOM 514 CG2 THR A 32 8.448 0.683 -0.372 1.00 0.00 C ATOM 0 H THR A 32 7.665 -0.199 -3.283 1.00 0.00 H new ATOM 0 HA THR A 32 5.885 1.062 -1.319 1.00 0.00 H new ATOM 0 HB THR A 32 7.787 2.593 -1.025 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.838 1.944 -2.016 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.396 1.042 0.028 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.706 0.651 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.583 -0.318 -0.782 1.00 0.00 H new ATOM 522 N PHE A 33 5.603 3.340 -2.449 1.00 0.00 N ATOM 523 CA PHE A 33 5.132 4.483 -3.223 1.00 0.00 C ATOM 524 C PHE A 33 5.141 5.748 -2.367 1.00 0.00 C ATOM 525 O PHE A 33 5.248 5.683 -1.141 1.00 0.00 O ATOM 526 CB PHE A 33 3.744 4.234 -3.825 1.00 0.00 C ATOM 527 CG PHE A 33 2.674 3.859 -2.835 1.00 0.00 C ATOM 528 CD1 PHE A 33 2.836 2.789 -1.969 1.00 0.00 C ATOM 529 CD2 PHE A 33 1.496 4.583 -2.780 1.00 0.00 C ATOM 530 CE1 PHE A 33 1.843 2.453 -1.069 1.00 0.00 C ATOM 531 CE2 PHE A 33 0.501 4.251 -1.882 1.00 0.00 C ATOM 532 CZ PHE A 33 0.675 3.186 -1.026 1.00 0.00 C ATOM 0 H PHE A 33 5.453 3.423 -1.443 1.00 0.00 H new ATOM 0 HA PHE A 33 5.820 4.624 -4.057 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.428 5.133 -4.354 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.825 3.440 -4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.748 2.212 -1.998 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.353 5.419 -3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.981 1.617 -0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.413 4.826 -1.851 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.102 2.925 -0.322 1.00 0.00 H new ATOM 542 N VAL A 34 5.068 6.898 -3.030 1.00 0.00 N ATOM 543 CA VAL A 34 5.106 8.190 -2.357 1.00 0.00 C ATOM 544 C VAL A 34 3.715 8.663 -1.949 1.00 0.00 C ATOM 545 O VAL A 34 3.152 9.578 -2.552 1.00 0.00 O ATOM 546 CB VAL A 34 5.763 9.259 -3.253 1.00 0.00 C ATOM 547 CG1 VAL A 34 5.956 10.562 -2.487 1.00 0.00 C ATOM 548 CG2 VAL A 34 7.089 8.753 -3.810 1.00 0.00 C ATOM 0 H VAL A 34 4.981 6.960 -4.044 1.00 0.00 H new ATOM 0 HA VAL A 34 5.702 8.054 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 34 5.097 9.458 -4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.421 11.302 -3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.988 10.933 -2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.597 10.385 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.536 9.522 -4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.764 8.520 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.916 7.855 -4.403 1.00 0.00 H new ATOM 558 N TYR A 35 3.181 8.039 -0.909 1.00 0.00 N ATOM 559 CA TYR A 35 1.853 8.381 -0.390 1.00 0.00 C ATOM 560 C TYR A 35 1.873 9.761 0.285 1.00 0.00 C ATOM 561 O TYR A 35 2.826 10.099 0.980 1.00 0.00 O ATOM 562 CB TYR A 35 1.398 7.295 0.596 1.00 0.00 C ATOM 563 CG TYR A 35 0.157 7.638 1.383 1.00 0.00 C ATOM 564 CD1 TYR A 35 -0.852 8.386 0.827 1.00 0.00 C ATOM 565 CD2 TYR A 35 0.009 7.215 2.685 1.00 0.00 C ATOM 566 CE1 TYR A 35 -1.983 8.707 1.542 1.00 0.00 C ATOM 567 CE2 TYR A 35 -1.116 7.526 3.412 1.00 0.00 C ATOM 568 CZ TYR A 35 -2.108 8.272 2.835 1.00 0.00 C ATOM 569 OH TYR A 35 -3.235 8.585 3.557 1.00 0.00 O ATOM 0 H TYR A 35 3.647 7.287 -0.401 1.00 0.00 H new ATOM 0 HA TYR A 35 1.145 8.429 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.218 6.373 0.043 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.211 7.094 1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.756 8.729 -0.192 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.791 6.628 3.144 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.765 9.297 1.088 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.216 7.184 4.431 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.935 8.904 2.949 1.00 0.00 H new ATOM 579 N GLY A 36 0.833 10.571 0.067 1.00 0.00 N ATOM 580 CA GLY A 36 0.809 11.903 0.653 1.00 0.00 C ATOM 581 C GLY A 36 -0.140 12.074 1.834 1.00 0.00 C ATOM 582 O GLY A 36 -0.525 13.192 2.149 1.00 0.00 O ATOM 0 H GLY A 36 0.018 10.331 -0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.818 12.158 0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.533 12.619 -0.121 1.00 0.00 H new ATOM 586 N GLY A 37 -0.500 10.992 2.505 1.00 0.00 N ATOM 587 CA GLY A 37 -1.378 11.102 3.656 1.00 0.00 C ATOM 588 C GLY A 37 -2.759 11.645 3.349 1.00 0.00 C ATOM 589 O GLY A 37 -3.426 12.180 4.233 1.00 0.00 O ATOM 0 H GLY A 37 -0.203 10.043 2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.483 10.117 4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.905 11.747 4.396 1.00 0.00 H new ATOM 593 N CYS A 38 -3.195 11.508 2.108 1.00 0.00 N ATOM 594 CA CYS A 38 -4.520 11.988 1.713 1.00 0.00 C ATOM 595 C CYS A 38 -5.424 10.845 1.250 1.00 0.00 C ATOM 596 O CYS A 38 -5.086 10.107 0.324 1.00 0.00 O ATOM 597 CB CYS A 38 -4.416 13.027 0.601 1.00 0.00 C ATOM 598 SG CYS A 38 -4.916 14.701 1.114 1.00 0.00 S ATOM 0 H CYS A 38 -2.659 11.072 1.357 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.964 12.446 2.597 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.388 13.059 0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.038 12.713 -0.237 1.00 0.00 H new ATOM 603 N ARG A 39 -6.580 10.719 1.905 1.00 0.00 N ATOM 604 CA ARG A 39 -7.564 9.684 1.582 1.00 0.00 C ATOM 605 C ARG A 39 -6.900 8.335 1.325 1.00 0.00 C ATOM 606 O ARG A 39 -7.047 7.747 0.253 1.00 0.00 O ATOM 607 CB ARG A 39 -8.404 10.099 0.372 1.00 0.00 C ATOM 608 CG ARG A 39 -9.765 9.421 0.314 1.00 0.00 C ATOM 609 CD ARG A 39 -10.565 9.666 1.585 1.00 0.00 C ATOM 610 NE ARG A 39 -10.353 8.617 2.579 1.00 0.00 N ATOM 611 CZ ARG A 39 -11.189 8.365 3.586 1.00 0.00 C ATOM 612 NH1 ARG A 39 -12.296 9.083 3.735 1.00 0.00 N ATOM 613 NH2 ARG A 39 -10.916 7.396 4.449 1.00 0.00 N ATOM 0 H ARG A 39 -6.860 11.330 2.672 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.218 9.574 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.546 11.179 0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.853 9.867 -0.539 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.322 9.794 -0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.633 8.349 0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.283 10.629 2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.626 9.723 1.340 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.514 8.042 2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.510 9.832 3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.932 8.885 4.508 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.066 6.843 4.342 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.556 7.204 5.219 1.00 0.00 H new ATOM 627 N ALA A 40 -6.179 7.849 2.325 1.00 0.00 N ATOM 628 CA ALA A 40 -5.499 6.562 2.220 1.00 0.00 C ATOM 629 C ALA A 40 -6.493 5.444 1.905 1.00 0.00 C ATOM 630 O ALA A 40 -7.660 5.514 2.292 1.00 0.00 O ATOM 631 CB ALA A 40 -4.746 6.257 3.505 1.00 0.00 C ATOM 0 H ALA A 40 -6.049 8.324 3.218 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.783 6.620 1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.244 5.294 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.006 7.036 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.448 6.221 4.338 1.00 0.00 H new ATOM 637 N LYS A 41 -6.028 4.417 1.201 1.00 0.00 N ATOM 638 CA LYS A 41 -6.886 3.294 0.838 1.00 0.00 C ATOM 639 C LYS A 41 -6.599 2.066 1.701 1.00 0.00 C ATOM 640 O LYS A 41 -5.893 2.150 2.706 1.00 0.00 O ATOM 641 CB LYS A 41 -6.717 2.953 -0.643 1.00 0.00 C ATOM 642 CG LYS A 41 -7.887 3.402 -1.501 1.00 0.00 C ATOM 643 CD LYS A 41 -7.981 4.917 -1.561 1.00 0.00 C ATOM 644 CE LYS A 41 -9.009 5.454 -0.579 1.00 0.00 C ATOM 645 NZ LYS A 41 -10.053 6.267 -1.261 1.00 0.00 N ATOM 0 H LYS A 41 -5.066 4.339 0.871 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.918 3.593 1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.804 3.419 -1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.591 1.875 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.775 3.003 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.814 2.994 -1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.006 5.351 -1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.247 5.226 -2.572 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.480 4.622 -0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.509 6.063 0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.736 6.616 -0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.606 7.075 -1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.548 5.679 -1.962 1.00 0.00 H new ATOM 659 N ARG A 42 -7.162 0.924 1.303 1.00 0.00 N ATOM 660 CA ARG A 42 -6.983 -0.327 2.041 1.00 0.00 C ATOM 661 C ARG A 42 -5.613 -0.947 1.774 1.00 0.00 C ATOM 662 O ARG A 42 -5.020 -1.561 2.660 1.00 0.00 O ATOM 663 CB ARG A 42 -8.084 -1.325 1.665 1.00 0.00 C ATOM 664 CG ARG A 42 -9.488 -0.790 1.901 1.00 0.00 C ATOM 665 CD ARG A 42 -10.422 -1.873 2.418 1.00 0.00 C ATOM 666 NE ARG A 42 -10.838 -2.791 1.361 1.00 0.00 N ATOM 667 CZ ARG A 42 -11.791 -3.707 1.508 1.00 0.00 C ATOM 668 NH1 ARG A 42 -12.445 -3.819 2.658 1.00 0.00 N ATOM 669 NH2 ARG A 42 -12.096 -4.512 0.500 1.00 0.00 N ATOM 0 H ARG A 42 -7.747 0.840 0.472 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.048 -0.094 3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.977 -1.594 0.614 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.949 -2.239 2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.449 0.030 2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.883 -0.382 0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.924 -2.434 3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.303 -1.410 2.862 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.370 -2.726 0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.218 -3.200 3.436 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.175 -4.524 2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.600 -4.429 -0.387 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.827 -5.215 0.612 1.00 0.00 H new ATOM 683 N ASN A 43 -5.123 -0.808 0.544 1.00 0.00 N ATOM 684 CA ASN A 43 -3.829 -1.374 0.181 1.00 0.00 C ATOM 685 C ASN A 43 -2.704 -0.374 0.414 1.00 0.00 C ATOM 686 O ASN A 43 -2.018 0.044 -0.519 1.00 0.00 O ATOM 687 CB ASN A 43 -3.831 -1.841 -1.276 1.00 0.00 C ATOM 688 CG ASN A 43 -2.952 -3.058 -1.493 1.00 0.00 C ATOM 689 OD1 ASN A 43 -2.192 -3.454 -0.610 1.00 0.00 O ATOM 690 ND2 ASN A 43 -3.049 -3.656 -2.674 1.00 0.00 N ATOM 0 H ASN A 43 -5.598 -0.313 -0.211 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.654 -2.237 0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.852 -2.075 -1.579 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.487 -1.028 -1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.480 -4.478 -2.878 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.693 -3.294 -3.378 1.00 0.00 H new ATOM 697 N ASN A 44 -2.526 -0.001 1.672 1.00 0.00 N ATOM 698 CA ASN A 44 -1.486 0.948 2.057 1.00 0.00 C ATOM 699 C ASN A 44 -0.892 0.580 3.414 1.00 0.00 C ATOM 700 O ASN A 44 -1.345 1.064 4.450 1.00 0.00 O ATOM 701 CB ASN A 44 -2.054 2.367 2.116 1.00 0.00 C ATOM 702 CG ASN A 44 -2.635 2.821 0.792 1.00 0.00 C ATOM 703 OD1 ASN A 44 -3.530 2.182 0.239 1.00 0.00 O ATOM 704 ND2 ASN A 44 -2.125 3.929 0.270 1.00 0.00 N ATOM 0 H ASN A 44 -3.091 -0.342 2.450 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.699 0.907 1.304 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.828 2.412 2.882 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.266 3.057 2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.474 4.280 -0.622 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.384 4.430 0.760 1.00 0.00 H new ATOM 711 N PHE A 45 0.132 -0.269 3.404 1.00 0.00 N ATOM 712 CA PHE A 45 0.786 -0.690 4.639 1.00 0.00 C ATOM 713 C PHE A 45 1.977 0.204 4.940 1.00 0.00 C ATOM 714 O PHE A 45 2.465 0.917 4.067 1.00 0.00 O ATOM 715 CB PHE A 45 1.255 -2.145 4.531 1.00 0.00 C ATOM 716 CG PHE A 45 0.305 -3.029 3.780 1.00 0.00 C ATOM 717 CD1 PHE A 45 -0.948 -3.307 4.293 1.00 0.00 C ATOM 718 CD2 PHE A 45 0.659 -3.569 2.555 1.00 0.00 C ATOM 719 CE1 PHE A 45 -1.833 -4.108 3.600 1.00 0.00 C ATOM 720 CE2 PHE A 45 -0.221 -4.370 1.856 1.00 0.00 C ATOM 721 CZ PHE A 45 -1.470 -4.639 2.378 1.00 0.00 C ATOM 0 H PHE A 45 0.526 -0.678 2.557 1.00 0.00 H new ATOM 0 HA PHE A 45 0.062 -0.608 5.450 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.227 -2.169 4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.397 -2.548 5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.238 -2.893 5.247 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.635 -3.361 2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.808 -4.319 4.013 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.067 -4.786 0.902 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.162 -5.263 1.832 1.00 0.00 H new ATOM 731 N LYS A 46 2.445 0.152 6.178 1.00 0.00 N ATOM 732 CA LYS A 46 3.590 0.951 6.594 1.00 0.00 C ATOM 733 C LYS A 46 4.829 0.076 6.762 1.00 0.00 C ATOM 734 O LYS A 46 5.930 0.580 6.982 1.00 0.00 O ATOM 735 CB LYS A 46 3.281 1.674 7.906 1.00 0.00 C ATOM 736 CG LYS A 46 2.297 2.820 7.748 1.00 0.00 C ATOM 737 CD LYS A 46 1.684 3.216 9.082 1.00 0.00 C ATOM 738 CE LYS A 46 2.698 3.909 9.978 1.00 0.00 C ATOM 739 NZ LYS A 46 2.183 5.204 10.500 1.00 0.00 N ATOM 0 H LYS A 46 2.050 -0.435 6.913 1.00 0.00 H new ATOM 0 HA LYS A 46 3.790 1.689 5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.879 0.956 8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.210 2.058 8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.805 3.679 7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.507 2.530 7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.835 3.878 8.911 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.300 2.328 9.585 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.951 3.256 10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.618 4.083 9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.904 5.645 11.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.965 5.837 9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.320 5.036 11.055 1.00 0.00 H new ATOM 753 N SER A 47 4.645 -1.240 6.660 1.00 0.00 N ATOM 754 CA SER A 47 5.752 -2.171 6.810 1.00 0.00 C ATOM 755 C SER A 47 5.471 -3.494 6.103 1.00 0.00 C ATOM 756 O SER A 47 4.316 -3.878 5.891 1.00 0.00 O ATOM 757 CB SER A 47 6.023 -2.430 8.293 1.00 0.00 C ATOM 758 OG SER A 47 4.936 -2.005 9.096 1.00 0.00 O ATOM 0 H SER A 47 3.743 -1.679 6.475 1.00 0.00 H new ATOM 0 HA SER A 47 6.630 -1.718 6.349 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.202 -3.493 8.452 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.929 -1.906 8.596 1.00 0.00 H new ATOM 0 HG SER A 47 5.136 -2.184 10.039 1.00 0.00 H new ATOM 764 N ALA A 48 6.543 -4.199 5.759 1.00 0.00 N ATOM 765 CA ALA A 48 6.428 -5.487 5.089 1.00 0.00 C ATOM 766 C ALA A 48 5.570 -6.445 5.907 1.00 0.00 C ATOM 767 O ALA A 48 4.919 -7.333 5.359 1.00 0.00 O ATOM 768 CB ALA A 48 7.807 -6.084 4.850 1.00 0.00 C ATOM 0 H ALA A 48 7.502 -3.899 5.934 1.00 0.00 H new ATOM 0 HA ALA A 48 5.943 -5.330 4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.705 -7.046 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.392 -5.409 4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.313 -6.224 5.805 1.00 0.00 H new ATOM 774 N GLU A 49 5.569 -6.254 7.225 1.00 0.00 N ATOM 775 CA GLU A 49 4.784 -7.100 8.113 1.00 0.00 C ATOM 776 C GLU A 49 3.300 -6.836 7.918 1.00 0.00 C ATOM 777 O GLU A 49 2.514 -7.766 7.740 1.00 0.00 O ATOM 778 CB GLU A 49 5.180 -6.862 9.574 1.00 0.00 C ATOM 779 CG GLU A 49 5.613 -8.125 10.300 1.00 0.00 C ATOM 780 CD GLU A 49 4.503 -9.152 10.399 1.00 0.00 C ATOM 781 OE1 GLU A 49 3.361 -8.764 10.722 1.00 0.00 O ATOM 782 OE2 GLU A 49 4.776 -10.346 10.152 1.00 0.00 O ATOM 0 H GLU A 49 6.102 -5.523 7.697 1.00 0.00 H new ATOM 0 HA GLU A 49 4.989 -8.142 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.993 -6.137 9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.336 -6.420 10.103 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.464 -8.565 9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.952 -7.865 11.303 1.00 0.00 H new ATOM 789 N ASP A 50 2.919 -5.560 7.927 1.00 0.00 N ATOM 790 CA ASP A 50 1.524 -5.194 7.721 1.00 0.00 C ATOM 791 C ASP A 50 1.040 -5.803 6.414 1.00 0.00 C ATOM 792 O ASP A 50 -0.086 -6.293 6.316 1.00 0.00 O ATOM 793 CB ASP A 50 1.363 -3.674 7.691 1.00 0.00 C ATOM 794 CG ASP A 50 1.178 -3.085 9.075 1.00 0.00 C ATOM 795 OD1 ASP A 50 1.625 -3.719 10.054 1.00 0.00 O ATOM 796 OD2 ASP A 50 0.587 -1.990 9.181 1.00 0.00 O ATOM 0 H ASP A 50 3.550 -4.772 8.073 1.00 0.00 H new ATOM 0 HA ASP A 50 0.926 -5.578 8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.241 -3.228 7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.505 -3.414 7.071 1.00 0.00 H new ATOM 801 N CYS A 51 1.922 -5.792 5.418 1.00 0.00 N ATOM 802 CA CYS A 51 1.616 -6.368 4.114 1.00 0.00 C ATOM 803 C CYS A 51 1.246 -7.828 4.269 1.00 0.00 C ATOM 804 O CYS A 51 0.098 -8.223 4.082 1.00 0.00 O ATOM 805 CB CYS A 51 2.837 -6.286 3.200 1.00 0.00 C ATOM 806 SG CYS A 51 2.538 -6.872 1.499 1.00 0.00 S ATOM 0 H CYS A 51 2.856 -5.389 5.491 1.00 0.00 H new ATOM 0 HA CYS A 51 0.786 -5.809 3.682 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.179 -5.252 3.161 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.645 -6.873 3.638 1.00 0.00 H new ATOM 811 N LEU A 52 2.249 -8.617 4.620 1.00 0.00 N ATOM 812 CA LEU A 52 2.067 -10.051 4.816 1.00 0.00 C ATOM 813 C LEU A 52 0.846 -10.325 5.683 1.00 0.00 C ATOM 814 O LEU A 52 0.121 -11.296 5.469 1.00 0.00 O ATOM 815 CB LEU A 52 3.314 -10.662 5.455 1.00 0.00 C ATOM 816 CG LEU A 52 4.585 -10.541 4.616 1.00 0.00 C ATOM 817 CD1 LEU A 52 5.771 -11.154 5.345 1.00 0.00 C ATOM 818 CD2 LEU A 52 4.386 -11.200 3.260 1.00 0.00 C ATOM 0 H LEU A 52 3.202 -8.289 4.776 1.00 0.00 H new ATOM 0 HA LEU A 52 1.909 -10.512 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.484 -10.182 6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.125 -11.717 5.653 1.00 0.00 H new ATOM 0 HG LEU A 52 4.797 -9.483 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.666 -11.057 4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.924 -10.636 6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.575 -12.209 5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.299 -11.106 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.151 -12.255 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.565 -10.711 2.735 1.00 0.00 H new ATOM 830 N ARG A 53 0.616 -9.451 6.651 1.00 0.00 N ATOM 831 CA ARG A 53 -0.526 -9.594 7.537 1.00 0.00 C ATOM 832 C ARG A 53 -1.824 -9.354 6.772 1.00 0.00 C ATOM 833 O ARG A 53 -2.863 -9.921 7.103 1.00 0.00 O ATOM 834 CB ARG A 53 -0.415 -8.620 8.714 1.00 0.00 C ATOM 835 CG ARG A 53 -0.731 -9.253 10.060 1.00 0.00 C ATOM 836 CD ARG A 53 -2.152 -8.943 10.506 1.00 0.00 C ATOM 837 NE ARG A 53 -2.721 -10.023 11.311 1.00 0.00 N ATOM 838 CZ ARG A 53 -2.501 -10.174 12.616 1.00 0.00 C ATOM 839 NH1 ARG A 53 -1.722 -9.320 13.269 1.00 0.00 N ATOM 840 NH2 ARG A 53 -3.062 -11.182 13.269 1.00 0.00 N ATOM 0 H ARG A 53 1.203 -8.639 6.842 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.535 -10.611 7.928 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.595 -8.211 8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.093 -7.783 8.547 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.597 -10.333 9.995 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.027 -8.889 10.808 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.157 -8.019 11.084 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.778 -8.775 9.630 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.323 -10.702 10.845 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.288 -8.543 12.771 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.558 -9.441 14.268 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.661 -11.841 12.772 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.894 -11.299 14.268 1.00 0.00 H new ATOM 854 N THR A 54 -1.758 -8.506 5.742 1.00 0.00 N ATOM 855 CA THR A 54 -2.938 -8.191 4.938 1.00 0.00 C ATOM 856 C THR A 54 -3.044 -9.070 3.694 1.00 0.00 C ATOM 857 O THR A 54 -4.104 -9.628 3.414 1.00 0.00 O ATOM 858 CB THR A 54 -2.913 -6.723 4.513 1.00 0.00 C ATOM 859 OG1 THR A 54 -2.477 -5.897 5.577 1.00 0.00 O ATOM 860 CG2 THR A 54 -4.265 -6.218 4.056 1.00 0.00 C ATOM 0 H THR A 54 -0.906 -8.029 5.448 1.00 0.00 H new ATOM 0 HA THR A 54 -3.808 -8.386 5.565 1.00 0.00 H new ATOM 0 HB THR A 54 -2.219 -6.673 3.674 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.858 -5.220 5.233 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.183 -5.170 3.767 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.603 -6.805 3.202 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.984 -6.315 4.870 1.00 0.00 H new ATOM 868 N CYS A 55 -1.960 -9.164 2.926 1.00 0.00 N ATOM 869 CA CYS A 55 -1.969 -9.944 1.697 1.00 0.00 C ATOM 870 C CYS A 55 -0.971 -11.096 1.745 1.00 0.00 C ATOM 871 O CYS A 55 -0.475 -11.534 0.708 1.00 0.00 O ATOM 872 CB CYS A 55 -1.648 -9.030 0.514 1.00 0.00 C ATOM 873 SG CYS A 55 -3.031 -7.960 0.002 1.00 0.00 S ATOM 0 H CYS A 55 -1.070 -8.711 3.134 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.963 -10.376 1.580 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.795 -8.403 0.774 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.345 -9.644 -0.334 1.00 0.00 H new ATOM 878 N GLY A 56 -0.680 -11.589 2.944 1.00 0.00 N ATOM 879 CA GLY A 56 0.258 -12.687 3.077 1.00 0.00 C ATOM 880 C GLY A 56 -0.335 -13.876 3.807 1.00 0.00 C ATOM 881 O GLY A 56 -1.344 -14.436 3.381 1.00 0.00 O ATOM 0 H GLY A 56 -1.075 -11.250 3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.587 -13.001 2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.143 -12.341 3.612 1.00 0.00 H new ATOM 885 N GLY A 57 0.298 -14.262 4.908 1.00 0.00 N ATOM 886 CA GLY A 57 -0.178 -15.393 5.685 1.00 0.00 C ATOM 887 C GLY A 57 -1.249 -15.006 6.684 1.00 0.00 C ATOM 888 O GLY A 57 -1.423 -13.827 6.991 1.00 0.00 O ATOM 0 H GLY A 57 1.135 -13.811 5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.574 -16.152 5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.661 -15.844 6.215 1.00 0.00 H new ATOM 892 N ALA A 58 -1.968 -16.000 7.192 1.00 0.00 N ATOM 893 CA ALA A 58 -3.027 -15.759 8.164 1.00 0.00 C ATOM 894 C ALA A 58 -4.064 -14.782 7.620 1.00 0.00 C ATOM 895 O ALA A 58 -5.123 -15.247 7.146 1.00 0.00 O ATOM 896 CB ALA A 58 -2.440 -15.233 9.466 1.00 0.00 C ATOM 897 OXT ALA A 58 -3.811 -13.560 7.674 1.00 0.00 O ATOM 0 H ALA A 58 -1.837 -16.981 6.947 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.527 -16.708 8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.243 -15.058 10.182 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.744 -15.966 9.873 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.913 -14.298 9.276 1.00 0.00 H new TER 903 ALA A 58