USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot -170:sc= 0.212 USER MOD Set 1.2: A 50 THR OG1 : rot 68:sc= -1.7! USER MOD Set 2.1: A 31 GLN : amide:sc= -0.335 K(o=0.39,f=-1.2!) USER MOD Set 2.2: A 33 TYR OH : rot 59:sc= 0.725 USER MOD Set 3.1: A 1 ASP N :NH3+ -134:sc= 0.0855 (180deg=-0.0304) USER MOD Set 3.2: A 4 MET CE :methyl 160:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -44:sc= -4.96! USER MOD Single : A 6 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.666) USER MOD Single : A 8 TYR OH : rot -148:sc= -2.4! USER MOD Single : A 16 TYR OH : rot 180:sc= -4.34! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -15:sc= 0.904 USER MOD Single : A 34 ASN : amide:sc= -4.75! C(o=-4.8!,f=-9.1!) USER MOD Single : A 35 ASN : amide:sc= -6.56! C(o=-6.6!,f=-21!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= 1.04 K(o=1,f=-3.5!) USER MOD Single : A 43 ASN : amide:sc= -4.03! C(o=-4!,f=-8.5!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 51 HIS : no HD1:sc= -2.34 K(o=-2.3,f=-2.9!) USER MOD Single : A 54 SER OG : rot -5:sc= 0.41! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.107 -29.641 2.661 1.00 0.00 N ATOM 2 CA ASP A 1 0.460 -28.249 3.057 1.00 0.00 C ATOM 3 C ASP A 1 1.909 -27.958 2.664 1.00 0.00 C ATOM 4 O ASP A 1 2.613 -28.815 2.167 1.00 0.00 O ATOM 5 CB ASP A 1 0.301 -28.093 4.570 1.00 0.00 C ATOM 6 CG ASP A 1 -1.176 -28.234 4.946 1.00 0.00 C ATOM 7 OD1 ASP A 1 -2.003 -28.177 4.051 1.00 0.00 O ATOM 8 OD2 ASP A 1 -1.453 -28.399 6.123 1.00 0.00 O ATOM 0 H1 ASP A 1 -0.820 -29.643 2.190 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.828 -30.010 2.008 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.066 -30.243 3.508 1.00 0.00 H new ATOM 0 HA ASP A 1 -0.202 -27.548 2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 1 0.893 -28.848 5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.677 -27.120 4.887 1.00 0.00 H new ATOM 15 N SER A 2 2.361 -26.753 2.883 1.00 0.00 N ATOM 16 CA SER A 2 3.765 -26.406 2.522 1.00 0.00 C ATOM 17 C SER A 2 4.720 -27.439 3.122 1.00 0.00 C ATOM 18 O SER A 2 5.800 -27.668 2.614 1.00 0.00 O ATOM 19 CB SER A 2 4.104 -25.021 3.075 1.00 0.00 C ATOM 20 OG SER A 2 3.627 -24.028 2.180 1.00 0.00 O ATOM 0 H SER A 2 1.819 -25.994 3.296 1.00 0.00 H new ATOM 0 HA SER A 2 3.869 -26.403 1.437 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.651 -24.889 4.058 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.182 -24.922 3.205 1.00 0.00 H new ATOM 0 HG SER A 2 3.845 -24.285 1.260 1.00 0.00 H new ATOM 26 N GLU A 3 4.330 -28.067 4.197 1.00 0.00 N ATOM 27 CA GLU A 3 5.215 -29.085 4.824 1.00 0.00 C ATOM 28 C GLU A 3 5.615 -30.116 3.769 1.00 0.00 C ATOM 29 O GLU A 3 6.603 -30.811 3.906 1.00 0.00 O ATOM 30 CB GLU A 3 4.468 -29.778 5.965 1.00 0.00 C ATOM 31 CG GLU A 3 5.074 -29.349 7.303 1.00 0.00 C ATOM 32 CD GLU A 3 4.286 -29.989 8.448 1.00 0.00 C ATOM 33 OE1 GLU A 3 3.833 -31.109 8.276 1.00 0.00 O ATOM 34 OE2 GLU A 3 4.149 -29.349 9.477 1.00 0.00 O ATOM 0 H GLU A 3 3.437 -27.918 4.667 1.00 0.00 H new ATOM 0 HA GLU A 3 6.108 -28.603 5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.410 -29.518 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.534 -30.860 5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.120 -29.651 7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.051 -28.263 7.394 1.00 0.00 H new ATOM 41 N MET A 4 4.857 -30.216 2.712 1.00 0.00 N ATOM 42 CA MET A 4 5.196 -31.196 1.644 1.00 0.00 C ATOM 43 C MET A 4 6.324 -30.625 0.783 1.00 0.00 C ATOM 44 O MET A 4 7.117 -31.351 0.218 1.00 0.00 O ATOM 45 CB MET A 4 3.964 -31.453 0.775 1.00 0.00 C ATOM 46 CG MET A 4 2.840 -32.021 1.642 1.00 0.00 C ATOM 47 SD MET A 4 1.440 -32.478 0.589 1.00 0.00 S ATOM 48 CE MET A 4 0.333 -33.025 1.910 1.00 0.00 C ATOM 0 H MET A 4 4.018 -29.661 2.542 1.00 0.00 H new ATOM 0 HA MET A 4 5.518 -32.135 2.094 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.640 -30.526 0.301 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.209 -32.151 -0.025 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.195 -32.892 2.192 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.528 -31.283 2.381 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.696 -33.018 1.549 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.603 -34.036 2.216 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.423 -32.352 2.762 1.00 0.00 H new ATOM 58 N CYS A 5 6.407 -29.325 0.684 1.00 0.00 N ATOM 59 CA CYS A 5 7.488 -28.708 -0.135 1.00 0.00 C ATOM 60 C CYS A 5 8.787 -28.704 0.671 1.00 0.00 C ATOM 61 O CYS A 5 9.863 -28.546 0.131 1.00 0.00 O ATOM 62 CB CYS A 5 7.108 -27.270 -0.492 1.00 0.00 C ATOM 63 SG CYS A 5 5.367 -27.205 -0.983 1.00 0.00 S ATOM 0 H CYS A 5 5.773 -28.665 1.135 1.00 0.00 H new ATOM 0 HA CYS A 5 7.623 -29.282 -1.052 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.280 -26.615 0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.739 -26.907 -1.304 1.00 0.00 H new ATOM 68 N LYS A 6 8.695 -28.882 1.962 1.00 0.00 N ATOM 69 CA LYS A 6 9.927 -28.894 2.801 1.00 0.00 C ATOM 70 C LYS A 6 10.971 -29.807 2.152 1.00 0.00 C ATOM 71 O LYS A 6 12.158 -29.659 2.365 1.00 0.00 O ATOM 72 CB LYS A 6 9.587 -29.410 4.200 1.00 0.00 C ATOM 73 CG LYS A 6 8.900 -28.298 4.997 1.00 0.00 C ATOM 74 CD LYS A 6 8.994 -28.604 6.495 1.00 0.00 C ATOM 75 CE LYS A 6 8.272 -27.510 7.285 1.00 0.00 C ATOM 76 NZ LYS A 6 7.932 -28.019 8.644 1.00 0.00 N ATOM 0 H LYS A 6 7.821 -29.019 2.470 1.00 0.00 H new ATOM 0 HA LYS A 6 10.328 -27.883 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.934 -30.280 4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.494 -29.733 4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.371 -27.339 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.855 -28.215 4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.548 -29.576 6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.039 -28.659 6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.905 -26.626 7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.365 -27.207 6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.964 -27.729 8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.995 -29.057 8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.599 -27.627 9.339 1.00 0.00 H new ATOM 90 N ASP A 7 10.535 -30.739 1.349 1.00 0.00 N ATOM 91 CA ASP A 7 11.495 -31.653 0.670 1.00 0.00 C ATOM 92 C ASP A 7 11.383 -31.426 -0.835 1.00 0.00 C ATOM 93 O ASP A 7 11.365 -32.355 -1.620 1.00 0.00 O ATOM 94 CB ASP A 7 11.147 -33.106 1.000 1.00 0.00 C ATOM 95 CG ASP A 7 11.305 -33.340 2.504 1.00 0.00 C ATOM 96 OD1 ASP A 7 11.992 -32.554 3.136 1.00 0.00 O ATOM 97 OD2 ASP A 7 10.737 -34.300 2.997 1.00 0.00 O ATOM 0 H ASP A 7 9.552 -30.907 1.134 1.00 0.00 H new ATOM 0 HA ASP A 7 12.511 -31.452 1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.124 -33.325 0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.798 -33.782 0.446 1.00 0.00 H new ATOM 102 N TYR A 8 11.281 -30.191 -1.237 1.00 0.00 N ATOM 103 CA TYR A 8 11.139 -29.877 -2.683 1.00 0.00 C ATOM 104 C TYR A 8 12.507 -29.621 -3.319 1.00 0.00 C ATOM 105 O TYR A 8 13.478 -29.333 -2.647 1.00 0.00 O ATOM 106 CB TYR A 8 10.280 -28.620 -2.826 1.00 0.00 C ATOM 107 CG TYR A 8 9.564 -28.644 -4.151 1.00 0.00 C ATOM 108 CD1 TYR A 8 10.225 -28.231 -5.314 1.00 0.00 C ATOM 109 CD2 TYR A 8 8.237 -29.077 -4.214 1.00 0.00 C ATOM 110 CE1 TYR A 8 9.556 -28.253 -6.543 1.00 0.00 C ATOM 111 CE2 TYR A 8 7.566 -29.098 -5.442 1.00 0.00 C ATOM 112 CZ TYR A 8 8.226 -28.686 -6.607 1.00 0.00 C ATOM 113 OH TYR A 8 7.566 -28.705 -7.818 1.00 0.00 O ATOM 0 H TYR A 8 11.290 -29.379 -0.619 1.00 0.00 H new ATOM 0 HA TYR A 8 10.673 -30.724 -3.187 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.557 -28.567 -2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 8 10.906 -27.730 -2.756 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.250 -27.896 -5.263 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.729 -29.395 -3.315 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.065 -27.936 -7.441 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.540 -29.432 -5.491 1.00 0.00 H new ATOM 0 HH TYR A 8 6.614 -28.524 -7.674 1.00 0.00 H new ATOM 123 N ARG A 9 12.577 -29.714 -4.619 1.00 0.00 N ATOM 124 CA ARG A 9 13.861 -29.465 -5.329 1.00 0.00 C ATOM 125 C ARG A 9 13.554 -28.825 -6.685 1.00 0.00 C ATOM 126 O ARG A 9 12.656 -29.244 -7.389 1.00 0.00 O ATOM 127 CB ARG A 9 14.600 -30.787 -5.540 1.00 0.00 C ATOM 128 CG ARG A 9 16.105 -30.559 -5.380 1.00 0.00 C ATOM 129 CD ARG A 9 16.837 -31.901 -5.466 1.00 0.00 C ATOM 130 NE ARG A 9 16.342 -32.663 -6.647 1.00 0.00 N ATOM 131 CZ ARG A 9 15.945 -33.900 -6.506 1.00 0.00 C ATOM 132 NH1 ARG A 9 16.620 -34.719 -5.747 1.00 0.00 N ATOM 133 NH2 ARG A 9 14.873 -34.314 -7.123 1.00 0.00 N ATOM 0 H ARG A 9 11.792 -29.954 -5.224 1.00 0.00 H new ATOM 0 HA ARG A 9 14.489 -28.800 -4.737 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.255 -31.528 -4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.384 -31.183 -6.533 1.00 0.00 H new ATOM 0 HG2 ARG A 9 16.466 -29.885 -6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 9 16.311 -30.081 -4.422 1.00 0.00 H new ATOM 0 HD2 ARG A 9 17.911 -31.737 -5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.673 -32.476 -4.554 1.00 0.00 H new ATOM 0 HE ARG A 9 16.313 -32.219 -7.565 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.457 -34.394 -5.264 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.310 -35.685 -5.637 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.345 -33.672 -7.715 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.562 -35.279 -7.014 1.00 0.00 H new ATOM 147 N VAL A 10 14.280 -27.809 -7.053 1.00 0.00 N ATOM 148 CA VAL A 10 14.015 -27.140 -8.359 1.00 0.00 C ATOM 149 C VAL A 10 15.309 -27.070 -9.174 1.00 0.00 C ATOM 150 O VAL A 10 16.275 -26.448 -8.775 1.00 0.00 O ATOM 151 CB VAL A 10 13.485 -25.728 -8.105 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.162 -25.051 -9.439 1.00 0.00 C ATOM 153 CG2 VAL A 10 12.214 -25.809 -7.257 1.00 0.00 C ATOM 0 H VAL A 10 15.045 -27.412 -6.508 1.00 0.00 H new ATOM 0 HA VAL A 10 13.273 -27.711 -8.918 1.00 0.00 H new ATOM 0 HB VAL A 10 14.242 -25.147 -7.579 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.785 -24.045 -9.255 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.065 -24.994 -10.046 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.406 -25.631 -9.968 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.834 -24.804 -7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.460 -26.391 -7.786 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.442 -26.289 -6.305 1.00 0.00 H new ATOM 163 N LEU A 11 15.335 -27.707 -10.314 1.00 0.00 N ATOM 164 CA LEU A 11 16.562 -27.688 -11.160 1.00 0.00 C ATOM 165 C LEU A 11 16.391 -26.664 -12.286 1.00 0.00 C ATOM 166 O LEU A 11 15.343 -26.067 -12.439 1.00 0.00 O ATOM 167 CB LEU A 11 16.779 -29.078 -11.760 1.00 0.00 C ATOM 168 CG LEU A 11 18.000 -29.729 -11.105 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.560 -30.500 -9.859 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.656 -30.693 -12.096 1.00 0.00 C ATOM 0 H LEU A 11 14.555 -28.242 -10.697 1.00 0.00 H new ATOM 0 HA LEU A 11 17.424 -27.413 -10.552 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.895 -29.696 -11.603 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.927 -29.002 -12.837 1.00 0.00 H new ATOM 0 HG LEU A 11 18.715 -28.957 -10.821 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.429 -30.964 -9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.092 -29.814 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.845 -31.272 -10.143 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.526 -31.157 -11.631 1.00 0.00 H new ATOM 0 HD22 LEU A 11 17.941 -31.465 -12.380 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.969 -30.144 -12.984 1.00 0.00 H new ATOM 182 N PRO A 12 17.447 -26.458 -13.091 1.00 0.00 N ATOM 183 CA PRO A 12 17.420 -25.505 -14.209 1.00 0.00 C ATOM 184 C PRO A 12 16.471 -25.952 -15.325 1.00 0.00 C ATOM 185 O PRO A 12 15.984 -25.149 -16.097 1.00 0.00 O ATOM 186 CB PRO A 12 18.863 -25.509 -14.717 1.00 0.00 C ATOM 187 CG PRO A 12 19.398 -26.836 -14.299 1.00 0.00 C ATOM 188 CD PRO A 12 18.750 -27.138 -12.978 1.00 0.00 C ATOM 0 HA PRO A 12 17.064 -24.523 -13.897 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.904 -25.387 -15.799 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.440 -24.693 -14.282 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.161 -27.603 -15.036 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.484 -26.809 -14.205 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.634 -28.210 -12.820 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.336 -26.754 -12.143 1.00 0.00 H new ATOM 196 N ARG A 13 16.204 -27.225 -15.418 1.00 0.00 N ATOM 197 CA ARG A 13 15.289 -27.720 -16.485 1.00 0.00 C ATOM 198 C ARG A 13 13.966 -28.158 -15.856 1.00 0.00 C ATOM 199 O ARG A 13 12.947 -28.227 -16.514 1.00 0.00 O ATOM 200 CB ARG A 13 15.934 -28.912 -17.196 1.00 0.00 C ATOM 201 CG ARG A 13 14.978 -29.456 -18.260 1.00 0.00 C ATOM 202 CD ARG A 13 14.831 -28.432 -19.389 1.00 0.00 C ATOM 203 NE ARG A 13 13.782 -28.894 -20.343 1.00 0.00 N ATOM 204 CZ ARG A 13 14.001 -29.934 -21.101 1.00 0.00 C ATOM 205 NH1 ARG A 13 15.042 -29.963 -21.887 1.00 0.00 N ATOM 206 NH2 ARG A 13 13.176 -30.945 -21.074 1.00 0.00 N ATOM 0 H ARG A 13 16.580 -27.945 -14.801 1.00 0.00 H new ATOM 0 HA ARG A 13 15.104 -26.923 -17.205 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.873 -28.608 -17.658 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.173 -29.693 -16.474 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.357 -30.398 -18.657 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.005 -29.666 -17.816 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.562 -27.458 -18.979 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.781 -28.308 -19.908 1.00 0.00 H new ATOM 0 HE ARG A 13 12.893 -28.397 -20.403 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.686 -29.172 -21.910 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.212 -30.776 -22.479 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.361 -30.922 -20.461 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.346 -31.758 -21.666 1.00 0.00 H new ATOM 220 N ILE A 14 13.974 -28.454 -14.586 1.00 0.00 N ATOM 221 CA ILE A 14 12.718 -28.888 -13.912 1.00 0.00 C ATOM 222 C ILE A 14 11.973 -27.664 -13.378 1.00 0.00 C ATOM 223 O ILE A 14 10.776 -27.536 -13.540 1.00 0.00 O ATOM 224 CB ILE A 14 13.065 -29.825 -12.754 1.00 0.00 C ATOM 225 CG1 ILE A 14 13.599 -31.146 -13.310 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.809 -30.090 -11.920 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.043 -32.046 -12.154 1.00 0.00 C ATOM 0 H ILE A 14 14.797 -28.414 -13.985 1.00 0.00 H new ATOM 0 HA ILE A 14 12.082 -29.411 -14.626 1.00 0.00 H new ATOM 0 HB ILE A 14 13.826 -29.362 -12.126 1.00 0.00 H new ATOM 0 HG12 ILE A 14 12.827 -31.644 -13.897 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.437 -30.958 -13.981 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.055 -30.758 -11.094 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.430 -29.148 -11.524 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.047 -30.553 -12.547 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.423 -32.987 -12.551 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.829 -31.548 -11.586 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.193 -32.245 -11.501 1.00 0.00 H new ATOM 239 N GLY A 15 12.669 -26.764 -12.740 1.00 0.00 N ATOM 240 CA GLY A 15 11.996 -25.550 -12.197 1.00 0.00 C ATOM 241 C GLY A 15 11.028 -25.959 -11.085 1.00 0.00 C ATOM 242 O GLY A 15 11.252 -26.919 -10.375 1.00 0.00 O ATOM 0 H GLY A 15 13.674 -26.816 -12.571 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.738 -24.852 -11.809 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.457 -25.034 -12.991 1.00 0.00 H new ATOM 246 N TYR A 16 9.949 -25.240 -10.928 1.00 0.00 N ATOM 247 CA TYR A 16 8.968 -25.592 -9.862 1.00 0.00 C ATOM 248 C TYR A 16 7.806 -26.368 -10.479 1.00 0.00 C ATOM 249 O TYR A 16 7.511 -26.238 -11.651 1.00 0.00 O ATOM 250 CB TYR A 16 8.438 -24.313 -9.210 1.00 0.00 C ATOM 251 CG TYR A 16 8.311 -24.521 -7.719 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.117 -25.015 -7.179 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.388 -24.223 -6.877 1.00 0.00 C ATOM 254 CE1 TYR A 16 7.000 -25.208 -5.796 1.00 0.00 C ATOM 255 CE2 TYR A 16 9.273 -24.417 -5.495 1.00 0.00 C ATOM 256 CZ TYR A 16 8.079 -24.911 -4.954 1.00 0.00 C ATOM 257 OH TYR A 16 7.964 -25.102 -3.592 1.00 0.00 O ATOM 0 H TYR A 16 9.705 -24.425 -11.491 1.00 0.00 H new ATOM 0 HA TYR A 16 9.458 -26.207 -9.107 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.112 -23.481 -9.416 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.469 -24.050 -9.635 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.286 -25.247 -7.829 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.309 -23.843 -7.293 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.078 -25.586 -5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.105 -24.186 -4.846 1.00 0.00 H new ATOM 0 HH TYR A 16 8.803 -24.848 -3.154 1.00 0.00 H new ATOM 267 N LEU A 17 7.140 -27.176 -9.700 1.00 0.00 N ATOM 268 CA LEU A 17 5.996 -27.959 -10.246 1.00 0.00 C ATOM 269 C LEU A 17 4.747 -27.707 -9.399 1.00 0.00 C ATOM 270 O LEU A 17 4.754 -27.878 -8.196 1.00 0.00 O ATOM 271 CB LEU A 17 6.338 -29.450 -10.218 1.00 0.00 C ATOM 272 CG LEU A 17 5.239 -30.236 -10.936 1.00 0.00 C ATOM 273 CD1 LEU A 17 4.955 -29.591 -12.295 1.00 0.00 C ATOM 274 CD2 LEU A 17 5.699 -31.680 -11.141 1.00 0.00 C ATOM 0 H LEU A 17 7.338 -27.327 -8.711 1.00 0.00 H new ATOM 0 HA LEU A 17 5.804 -27.648 -11.273 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.299 -29.623 -10.701 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.433 -29.794 -9.188 1.00 0.00 H new ATOM 0 HG LEU A 17 4.331 -30.226 -10.334 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.172 -30.151 -12.807 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.628 -28.562 -12.148 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.862 -29.601 -12.899 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.917 -32.242 -11.652 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.607 -31.690 -11.744 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.901 -32.138 -10.173 1.00 0.00 H new ATOM 286 N CYS A 18 3.674 -27.304 -10.020 1.00 0.00 N ATOM 287 CA CYS A 18 2.421 -27.042 -9.258 1.00 0.00 C ATOM 288 C CYS A 18 1.229 -27.588 -10.045 1.00 0.00 C ATOM 289 O CYS A 18 1.291 -27.753 -11.247 1.00 0.00 O ATOM 290 CB CYS A 18 2.257 -25.535 -9.055 1.00 0.00 C ATOM 291 SG CYS A 18 3.684 -24.901 -8.140 1.00 0.00 S ATOM 0 H CYS A 18 3.610 -27.144 -11.025 1.00 0.00 H new ATOM 0 HA CYS A 18 2.471 -27.534 -8.287 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.175 -25.033 -10.019 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.337 -25.327 -8.508 1.00 0.00 H new ATOM 296 N PRO A 19 0.122 -27.876 -9.346 1.00 0.00 N ATOM 297 CA PRO A 19 -1.094 -28.407 -9.973 1.00 0.00 C ATOM 298 C PRO A 19 -1.787 -27.356 -10.840 1.00 0.00 C ATOM 299 O PRO A 19 -1.491 -26.180 -10.762 1.00 0.00 O ATOM 300 CB PRO A 19 -1.982 -28.769 -8.784 1.00 0.00 C ATOM 301 CG PRO A 19 -1.507 -27.886 -7.679 1.00 0.00 C ATOM 302 CD PRO A 19 -0.031 -27.704 -7.893 1.00 0.00 C ATOM 0 HA PRO A 19 -0.881 -29.247 -10.633 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.034 -28.594 -9.007 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.883 -29.822 -8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.024 -26.927 -7.698 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.707 -28.337 -6.707 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.305 -26.720 -7.567 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.550 -28.440 -7.337 1.00 0.00 H new ATOM 310 N LYS A 20 -2.707 -27.769 -11.664 1.00 0.00 N ATOM 311 CA LYS A 20 -3.417 -26.791 -12.533 1.00 0.00 C ATOM 312 C LYS A 20 -4.587 -26.180 -11.761 1.00 0.00 C ATOM 313 O LYS A 20 -5.079 -25.121 -12.095 1.00 0.00 O ATOM 314 CB LYS A 20 -3.943 -27.503 -13.781 1.00 0.00 C ATOM 315 CG LYS A 20 -4.446 -26.467 -14.785 1.00 0.00 C ATOM 316 CD LYS A 20 -5.052 -27.181 -15.994 1.00 0.00 C ATOM 317 CE LYS A 20 -5.313 -26.166 -17.107 1.00 0.00 C ATOM 318 NZ LYS A 20 -5.484 -26.881 -18.401 1.00 0.00 N ATOM 0 H LYS A 20 -2.998 -28.740 -11.774 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.727 -26.002 -12.831 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.153 -28.105 -14.229 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.749 -28.185 -13.511 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.192 -25.824 -14.317 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.625 -25.824 -15.103 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.375 -27.959 -16.348 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.982 -27.673 -15.711 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.206 -25.584 -16.880 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.483 -25.463 -17.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.662 -26.191 -19.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.620 -27.418 -18.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.290 -27.535 -18.333 1.00 0.00 H new ATOM 332 N ASP A 21 -5.033 -26.838 -10.726 1.00 0.00 N ATOM 333 CA ASP A 21 -6.167 -26.292 -9.930 1.00 0.00 C ATOM 334 C ASP A 21 -5.733 -24.987 -9.259 1.00 0.00 C ATOM 335 O ASP A 21 -4.766 -24.948 -8.525 1.00 0.00 O ATOM 336 CB ASP A 21 -6.571 -27.306 -8.858 1.00 0.00 C ATOM 337 CG ASP A 21 -6.876 -28.653 -9.518 1.00 0.00 C ATOM 338 OD1 ASP A 21 -7.016 -28.678 -10.730 1.00 0.00 O ATOM 339 OD2 ASP A 21 -6.963 -29.636 -8.801 1.00 0.00 O ATOM 0 H ASP A 21 -4.661 -27.729 -10.398 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.015 -26.100 -10.587 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.769 -27.420 -8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.446 -26.948 -8.316 1.00 0.00 H new ATOM 344 N LEU A 22 -6.436 -23.917 -9.507 1.00 0.00 N ATOM 345 CA LEU A 22 -6.058 -22.618 -8.884 1.00 0.00 C ATOM 346 C LEU A 22 -6.731 -22.492 -7.516 1.00 0.00 C ATOM 347 O LEU A 22 -7.939 -22.544 -7.400 1.00 0.00 O ATOM 348 CB LEU A 22 -6.513 -21.467 -9.788 1.00 0.00 C ATOM 349 CG LEU A 22 -6.024 -20.131 -9.218 1.00 0.00 C ATOM 350 CD1 LEU A 22 -6.893 -19.735 -8.023 1.00 0.00 C ATOM 351 CD2 LEU A 22 -4.567 -20.263 -8.767 1.00 0.00 C ATOM 0 H LEU A 22 -7.255 -23.886 -10.114 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.976 -22.576 -8.760 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.121 -21.608 -10.795 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.600 -21.463 -9.866 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.095 -19.365 -9.990 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.544 -18.785 -7.619 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.930 -19.634 -8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.825 -20.504 -7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.224 -19.311 -8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.492 -21.032 -7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.946 -20.540 -9.619 1.00 0.00 H new ATOM 363 N LYS A 23 -5.958 -22.325 -6.476 1.00 0.00 N ATOM 364 CA LYS A 23 -6.558 -22.195 -5.118 1.00 0.00 C ATOM 365 C LYS A 23 -5.789 -21.143 -4.315 1.00 0.00 C ATOM 366 O LYS A 23 -4.629 -21.317 -4.002 1.00 0.00 O ATOM 367 CB LYS A 23 -6.487 -23.541 -4.391 1.00 0.00 C ATOM 368 CG LYS A 23 -6.657 -24.678 -5.401 1.00 0.00 C ATOM 369 CD LYS A 23 -6.341 -26.012 -4.722 1.00 0.00 C ATOM 370 CE LYS A 23 -7.521 -26.428 -3.841 1.00 0.00 C ATOM 371 NZ LYS A 23 -7.344 -27.842 -3.406 1.00 0.00 N ATOM 0 H LYS A 23 -4.940 -22.273 -6.509 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.600 -21.890 -5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.531 -23.638 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.266 -23.597 -3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.676 -24.686 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.994 -24.525 -6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.147 -26.778 -5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.438 -25.920 -4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.587 -25.775 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.455 -26.320 -4.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.146 -28.124 -2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.302 -28.460 -4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.460 -27.931 -2.865 1.00 0.00 H new ATOM 385 N PRO A 24 -6.460 -20.032 -3.974 1.00 0.00 N ATOM 386 CA PRO A 24 -5.852 -18.939 -3.202 1.00 0.00 C ATOM 387 C PRO A 24 -5.530 -19.371 -1.771 1.00 0.00 C ATOM 388 O PRO A 24 -6.400 -19.771 -1.024 1.00 0.00 O ATOM 389 CB PRO A 24 -6.935 -17.861 -3.195 1.00 0.00 C ATOM 390 CG PRO A 24 -8.206 -18.611 -3.394 1.00 0.00 C ATOM 391 CD PRO A 24 -7.867 -19.754 -4.307 1.00 0.00 C ATOM 0 HA PRO A 24 -4.907 -18.607 -3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.942 -17.311 -2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.775 -17.132 -3.990 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.600 -18.973 -2.444 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.972 -17.973 -3.834 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.504 -20.619 -4.125 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.988 -19.483 -5.356 1.00 0.00 H new ATOM 399 N VAL A 25 -4.288 -19.299 -1.386 1.00 0.00 N ATOM 400 CA VAL A 25 -3.916 -19.709 -0.004 1.00 0.00 C ATOM 401 C VAL A 25 -3.304 -18.523 0.736 1.00 0.00 C ATOM 402 O VAL A 25 -2.732 -17.633 0.140 1.00 0.00 O ATOM 403 CB VAL A 25 -2.880 -20.831 -0.064 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.469 -22.042 -0.787 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.647 -20.339 -0.822 1.00 0.00 C ATOM 0 H VAL A 25 -3.515 -18.975 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.810 -20.052 0.516 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.600 -21.118 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.726 -22.839 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.350 -22.394 -0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.752 -21.758 -1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.905 -21.137 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.933 -20.052 -1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.223 -19.478 -0.306 1.00 0.00 H new ATOM 415 N CYS A 26 -3.401 -18.514 2.034 1.00 0.00 N ATOM 416 CA CYS A 26 -2.802 -17.398 2.813 1.00 0.00 C ATOM 417 C CYS A 26 -1.439 -17.852 3.331 1.00 0.00 C ATOM 418 O CYS A 26 -1.246 -19.004 3.660 1.00 0.00 O ATOM 419 CB CYS A 26 -3.708 -17.037 3.995 1.00 0.00 C ATOM 420 SG CYS A 26 -3.034 -15.593 4.853 1.00 0.00 S ATOM 0 H CYS A 26 -3.869 -19.231 2.589 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.692 -16.519 2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.717 -16.825 3.642 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.781 -17.880 4.682 1.00 0.00 H new ATOM 425 N GLY A 27 -0.489 -16.964 3.399 1.00 0.00 N ATOM 426 CA GLY A 27 0.860 -17.359 3.891 1.00 0.00 C ATOM 427 C GLY A 27 1.004 -16.950 5.356 1.00 0.00 C ATOM 428 O GLY A 27 0.571 -15.890 5.759 1.00 0.00 O ATOM 0 H GLY A 27 -0.587 -15.983 3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.997 -18.435 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.633 -16.880 3.290 1.00 0.00 H new ATOM 432 N ASP A 28 1.611 -17.782 6.158 1.00 0.00 N ATOM 433 CA ASP A 28 1.779 -17.434 7.598 1.00 0.00 C ATOM 434 C ASP A 28 2.742 -16.251 7.731 1.00 0.00 C ATOM 435 O ASP A 28 2.926 -15.706 8.802 1.00 0.00 O ATOM 436 CB ASP A 28 2.340 -18.640 8.356 1.00 0.00 C ATOM 437 CG ASP A 28 2.400 -18.320 9.851 1.00 0.00 C ATOM 438 OD1 ASP A 28 1.810 -17.329 10.249 1.00 0.00 O ATOM 439 OD2 ASP A 28 3.034 -19.072 10.573 1.00 0.00 O ATOM 0 H ASP A 28 1.997 -18.684 5.880 1.00 0.00 H new ATOM 0 HA ASP A 28 0.811 -17.161 8.019 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.712 -19.514 8.185 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.335 -18.885 7.985 1.00 0.00 H new ATOM 444 N ASP A 29 3.357 -15.846 6.652 1.00 0.00 N ATOM 445 CA ASP A 29 4.305 -14.697 6.719 1.00 0.00 C ATOM 446 C ASP A 29 3.550 -13.394 6.440 1.00 0.00 C ATOM 447 O ASP A 29 4.143 -12.344 6.288 1.00 0.00 O ATOM 448 CB ASP A 29 5.404 -14.881 5.671 1.00 0.00 C ATOM 449 CG ASP A 29 6.474 -15.829 6.216 1.00 0.00 C ATOM 450 OD1 ASP A 29 6.224 -16.446 7.239 1.00 0.00 O ATOM 451 OD2 ASP A 29 7.522 -15.924 5.600 1.00 0.00 O ATOM 0 H ASP A 29 3.244 -16.261 5.727 1.00 0.00 H new ATOM 0 HA ASP A 29 4.752 -14.653 7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.980 -15.284 4.751 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.849 -13.918 5.422 1.00 0.00 H new ATOM 456 N GLY A 30 2.249 -13.452 6.370 1.00 0.00 N ATOM 457 CA GLY A 30 1.463 -12.215 6.101 1.00 0.00 C ATOM 458 C GLY A 30 1.385 -11.976 4.592 1.00 0.00 C ATOM 459 O GLY A 30 1.290 -10.854 4.136 1.00 0.00 O ATOM 0 H GLY A 30 1.696 -14.301 6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.460 -12.312 6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.930 -11.361 6.591 1.00 0.00 H new ATOM 463 N GLN A 31 1.423 -13.022 3.813 1.00 0.00 N ATOM 464 CA GLN A 31 1.349 -12.854 2.333 1.00 0.00 C ATOM 465 C GLN A 31 0.336 -13.845 1.758 1.00 0.00 C ATOM 466 O GLN A 31 -0.077 -14.776 2.418 1.00 0.00 O ATOM 467 CB GLN A 31 2.724 -13.121 1.720 1.00 0.00 C ATOM 468 CG GLN A 31 3.630 -11.909 1.944 1.00 0.00 C ATOM 469 CD GLN A 31 5.049 -12.241 1.479 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.303 -13.324 0.991 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.992 -11.348 1.612 1.00 0.00 N ATOM 0 H GLN A 31 1.502 -13.986 4.137 1.00 0.00 H new ATOM 0 HA GLN A 31 1.037 -11.836 2.099 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.168 -14.008 2.171 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.625 -13.321 0.653 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.247 -11.049 1.394 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.636 -11.636 2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.779 -10.439 2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.942 -11.560 1.306 1.00 0.00 H new ATOM 480 N THR A 32 -0.067 -13.654 0.532 1.00 0.00 N ATOM 481 CA THR A 32 -1.049 -14.589 -0.083 1.00 0.00 C ATOM 482 C THR A 32 -0.480 -15.135 -1.392 1.00 0.00 C ATOM 483 O THR A 32 0.251 -14.462 -2.092 1.00 0.00 O ATOM 484 CB THR A 32 -2.357 -13.849 -0.372 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.809 -13.207 0.812 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.411 -14.849 -0.850 1.00 0.00 C ATOM 0 H THR A 32 0.242 -12.891 -0.070 1.00 0.00 H new ATOM 0 HA THR A 32 -1.242 -15.411 0.606 1.00 0.00 H new ATOM 0 HB THR A 32 -2.190 -13.101 -1.147 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.333 -13.575 1.586 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.344 -14.324 -1.056 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.062 -15.339 -1.759 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.580 -15.598 -0.076 1.00 0.00 H new ATOM 494 N TYR A 33 -0.811 -16.350 -1.730 1.00 0.00 N ATOM 495 CA TYR A 33 -0.290 -16.938 -2.995 1.00 0.00 C ATOM 496 C TYR A 33 -1.460 -17.472 -3.821 1.00 0.00 C ATOM 497 O TYR A 33 -2.193 -18.340 -3.388 1.00 0.00 O ATOM 498 CB TYR A 33 0.675 -18.077 -2.663 1.00 0.00 C ATOM 499 CG TYR A 33 1.766 -17.554 -1.760 1.00 0.00 C ATOM 500 CD1 TYR A 33 2.811 -16.794 -2.296 1.00 0.00 C ATOM 501 CD2 TYR A 33 1.731 -17.827 -0.387 1.00 0.00 C ATOM 502 CE1 TYR A 33 3.820 -16.303 -1.460 1.00 0.00 C ATOM 503 CE2 TYR A 33 2.742 -17.336 0.449 1.00 0.00 C ATOM 504 CZ TYR A 33 3.787 -16.575 -0.088 1.00 0.00 C ATOM 505 OH TYR A 33 4.783 -16.092 0.736 1.00 0.00 O ATOM 0 H TYR A 33 -1.420 -16.961 -1.185 1.00 0.00 H new ATOM 0 HA TYR A 33 0.238 -16.176 -3.568 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.141 -18.892 -2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.107 -18.483 -3.578 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.839 -16.586 -3.355 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.925 -18.415 0.027 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.625 -15.714 -1.874 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.715 -17.545 1.508 1.00 0.00 H new ATOM 0 HH TYR A 33 4.815 -15.115 0.672 1.00 0.00 H new ATOM 515 N ASN A 34 -1.644 -16.953 -5.005 1.00 0.00 N ATOM 516 CA ASN A 34 -2.770 -17.421 -5.861 1.00 0.00 C ATOM 517 C ASN A 34 -2.887 -18.944 -5.771 1.00 0.00 C ATOM 518 O ASN A 34 -3.742 -19.468 -5.087 1.00 0.00 O ATOM 519 CB ASN A 34 -2.516 -16.996 -7.310 1.00 0.00 C ATOM 520 CG ASN A 34 -3.801 -17.160 -8.123 1.00 0.00 C ATOM 521 OD1 ASN A 34 -4.873 -17.292 -7.568 1.00 0.00 O ATOM 522 ND2 ASN A 34 -3.737 -17.154 -9.427 1.00 0.00 N ATOM 0 H ASN A 34 -1.062 -16.224 -5.416 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.703 -16.975 -5.516 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.182 -15.959 -7.343 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.719 -17.601 -7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.588 -17.260 -9.980 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.836 -17.043 -9.893 1.00 0.00 H new ATOM 529 N ASN A 35 -2.035 -19.661 -6.444 1.00 0.00 N ATOM 530 CA ASN A 35 -2.099 -21.149 -6.379 1.00 0.00 C ATOM 531 C ASN A 35 -1.399 -21.619 -5.102 1.00 0.00 C ATOM 532 O ASN A 35 -0.472 -20.990 -4.632 1.00 0.00 O ATOM 533 CB ASN A 35 -1.410 -21.732 -7.617 1.00 0.00 C ATOM 534 CG ASN A 35 -1.102 -23.215 -7.407 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.308 -23.569 -6.560 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.707 -24.103 -8.151 1.00 0.00 N ATOM 0 H ASN A 35 -1.296 -19.283 -7.037 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.135 -21.488 -6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.050 -21.607 -8.490 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.487 -21.187 -7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.512 -25.096 -8.020 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.374 -23.803 -8.862 1.00 0.00 H new ATOM 543 N PRO A 36 -1.856 -22.741 -4.520 1.00 0.00 N ATOM 544 CA PRO A 36 -1.273 -23.284 -3.282 1.00 0.00 C ATOM 545 C PRO A 36 0.192 -23.687 -3.464 1.00 0.00 C ATOM 546 O PRO A 36 1.054 -23.272 -2.714 1.00 0.00 O ATOM 547 CB PRO A 36 -2.142 -24.510 -2.988 1.00 0.00 C ATOM 548 CG PRO A 36 -2.708 -24.883 -4.314 1.00 0.00 C ATOM 549 CD PRO A 36 -2.962 -23.578 -5.013 1.00 0.00 C ATOM 0 HA PRO A 36 -1.266 -22.552 -2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.553 -25.323 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.929 -24.278 -2.270 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.012 -25.504 -4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.628 -25.456 -4.203 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.939 -23.686 -6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.935 -23.160 -4.755 1.00 0.00 H new ATOM 557 N CYS A 37 0.491 -24.474 -4.458 1.00 0.00 N ATOM 558 CA CYS A 37 1.907 -24.872 -4.677 1.00 0.00 C ATOM 559 C CYS A 37 2.719 -23.616 -5.002 1.00 0.00 C ATOM 560 O CYS A 37 3.911 -23.556 -4.771 1.00 0.00 O ATOM 561 CB CYS A 37 1.983 -25.863 -5.844 1.00 0.00 C ATOM 562 SG CYS A 37 3.688 -25.990 -6.442 1.00 0.00 S ATOM 0 H CYS A 37 -0.180 -24.857 -5.124 1.00 0.00 H new ATOM 0 HA CYS A 37 2.309 -25.350 -3.784 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.628 -26.842 -5.523 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.329 -25.536 -6.652 1.00 0.00 H new ATOM 567 N MET A 38 2.079 -22.608 -5.531 1.00 0.00 N ATOM 568 CA MET A 38 2.806 -21.353 -5.863 1.00 0.00 C ATOM 569 C MET A 38 3.316 -20.721 -4.569 1.00 0.00 C ATOM 570 O MET A 38 4.208 -19.894 -4.576 1.00 0.00 O ATOM 571 CB MET A 38 1.857 -20.384 -6.575 1.00 0.00 C ATOM 572 CG MET A 38 1.979 -20.571 -8.089 1.00 0.00 C ATOM 573 SD MET A 38 0.913 -19.376 -8.933 1.00 0.00 S ATOM 574 CE MET A 38 0.633 -20.345 -10.438 1.00 0.00 C ATOM 0 H MET A 38 1.082 -22.601 -5.747 1.00 0.00 H new ATOM 0 HA MET A 38 3.647 -21.573 -6.520 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.830 -20.564 -6.257 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.099 -19.356 -6.304 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.014 -20.434 -8.401 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.695 -21.586 -8.365 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.013 -19.787 -11.115 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.587 -20.542 -10.927 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.156 -21.290 -10.179 1.00 0.00 H new ATOM 584 N LEU A 39 2.760 -21.111 -3.455 1.00 0.00 N ATOM 585 CA LEU A 39 3.214 -20.547 -2.156 1.00 0.00 C ATOM 586 C LEU A 39 4.612 -21.076 -1.850 1.00 0.00 C ATOM 587 O LEU A 39 5.535 -20.318 -1.622 1.00 0.00 O ATOM 588 CB LEU A 39 2.245 -20.968 -1.050 1.00 0.00 C ATOM 589 CG LEU A 39 2.842 -20.614 0.312 1.00 0.00 C ATOM 590 CD1 LEU A 39 1.725 -20.224 1.282 1.00 0.00 C ATOM 591 CD2 LEU A 39 3.588 -21.827 0.864 1.00 0.00 C ATOM 0 H LEU A 39 2.009 -21.798 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 39 3.238 -19.459 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.287 -20.465 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.054 -22.040 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 39 3.529 -19.776 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.156 -19.973 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.187 -19.361 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.035 -21.060 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.016 -21.580 1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.895 -22.661 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.386 -22.107 0.177 1.00 0.00 H new ATOM 603 N CYS A 40 4.787 -22.368 -1.863 1.00 0.00 N ATOM 604 CA CYS A 40 6.140 -22.920 -1.594 1.00 0.00 C ATOM 605 C CYS A 40 7.133 -22.203 -2.506 1.00 0.00 C ATOM 606 O CYS A 40 8.308 -22.104 -2.219 1.00 0.00 O ATOM 607 CB CYS A 40 6.156 -24.422 -1.884 1.00 0.00 C ATOM 608 SG CYS A 40 4.891 -25.243 -0.881 1.00 0.00 S ATOM 0 H CYS A 40 4.059 -23.058 -2.046 1.00 0.00 H new ATOM 0 HA CYS A 40 6.410 -22.768 -0.549 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.969 -24.601 -2.943 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.139 -24.836 -1.660 1.00 0.00 H new ATOM 613 N HIS A 41 6.657 -21.683 -3.603 1.00 0.00 N ATOM 614 CA HIS A 41 7.557 -20.950 -4.531 1.00 0.00 C ATOM 615 C HIS A 41 8.170 -19.769 -3.786 1.00 0.00 C ATOM 616 O HIS A 41 9.369 -19.571 -3.792 1.00 0.00 O ATOM 617 CB HIS A 41 6.748 -20.438 -5.719 1.00 0.00 C ATOM 618 CG HIS A 41 7.664 -20.208 -6.889 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.279 -21.251 -7.564 1.00 0.00 N ATOM 620 CD2 HIS A 41 8.082 -19.059 -7.512 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.027 -20.712 -8.545 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.943 -19.379 -8.557 1.00 0.00 N ATOM 0 H HIS A 41 5.681 -21.735 -3.896 1.00 0.00 H new ATOM 0 HA HIS A 41 8.345 -21.612 -4.890 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.976 -21.160 -5.985 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.240 -19.511 -5.454 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.182 -22.245 -7.356 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.787 -18.058 -7.233 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.623 -21.288 -9.238 1.00 0.00 H new ATOM 630 N GLU A 42 7.355 -18.987 -3.130 1.00 0.00 N ATOM 631 CA GLU A 42 7.898 -17.830 -2.373 1.00 0.00 C ATOM 632 C GLU A 42 8.943 -18.345 -1.389 1.00 0.00 C ATOM 633 O GLU A 42 9.786 -17.609 -0.916 1.00 0.00 O ATOM 634 CB GLU A 42 6.772 -17.136 -1.606 1.00 0.00 C ATOM 635 CG GLU A 42 7.105 -15.652 -1.453 1.00 0.00 C ATOM 636 CD GLU A 42 7.293 -15.030 -2.837 1.00 0.00 C ATOM 637 OE1 GLU A 42 6.623 -15.470 -3.758 1.00 0.00 O ATOM 638 OE2 GLU A 42 8.102 -14.125 -2.955 1.00 0.00 O ATOM 0 H GLU A 42 6.342 -19.101 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 42 8.348 -17.114 -3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.827 -17.256 -2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.647 -17.596 -0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.304 -15.141 -0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.012 -15.530 -0.861 1.00 0.00 H new ATOM 645 N ASN A 43 8.900 -19.616 -1.085 1.00 0.00 N ATOM 646 CA ASN A 43 9.904 -20.183 -0.139 1.00 0.00 C ATOM 647 C ASN A 43 11.207 -20.436 -0.897 1.00 0.00 C ATOM 648 O ASN A 43 12.288 -20.327 -0.352 1.00 0.00 O ATOM 649 CB ASN A 43 9.398 -21.506 0.447 1.00 0.00 C ATOM 650 CG ASN A 43 8.142 -21.261 1.286 1.00 0.00 C ATOM 651 OD1 ASN A 43 8.180 -21.362 2.495 1.00 0.00 O ATOM 652 ND2 ASN A 43 7.021 -20.950 0.694 1.00 0.00 N ATOM 0 H ASN A 43 8.218 -20.281 -1.448 1.00 0.00 H new ATOM 0 HA ASN A 43 10.068 -19.477 0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.177 -22.208 -0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.174 -21.961 1.063 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.179 -20.792 1.247 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.987 -20.865 -0.322 1.00 0.00 H new ATOM 659 N LEU A 44 11.111 -20.773 -2.153 1.00 0.00 N ATOM 660 CA LEU A 44 12.341 -21.033 -2.953 1.00 0.00 C ATOM 661 C LEU A 44 13.130 -19.731 -3.109 1.00 0.00 C ATOM 662 O LEU A 44 14.341 -19.711 -2.996 1.00 0.00 O ATOM 663 CB LEU A 44 11.946 -21.561 -4.334 1.00 0.00 C ATOM 664 CG LEU A 44 13.202 -21.992 -5.096 1.00 0.00 C ATOM 665 CD1 LEU A 44 13.819 -23.214 -4.414 1.00 0.00 C ATOM 666 CD2 LEU A 44 12.826 -22.348 -6.536 1.00 0.00 C ATOM 0 H LEU A 44 10.233 -20.880 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 44 12.959 -21.773 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.263 -22.404 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.416 -20.789 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 44 13.924 -21.175 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.713 -23.521 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.086 -22.962 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.098 -24.032 -4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.719 -22.655 -7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.105 -23.165 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.386 -21.478 -7.023 1.00 0.00 H new ATOM 678 N ILE A 45 12.456 -18.643 -3.366 1.00 0.00 N ATOM 679 CA ILE A 45 13.171 -17.345 -3.528 1.00 0.00 C ATOM 680 C ILE A 45 13.544 -16.798 -2.150 1.00 0.00 C ATOM 681 O ILE A 45 14.654 -16.354 -1.928 1.00 0.00 O ATOM 682 CB ILE A 45 12.267 -16.341 -4.252 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.341 -17.091 -5.217 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.138 -15.353 -5.034 1.00 0.00 C ATOM 685 CD1 ILE A 45 10.734 -16.110 -6.224 1.00 0.00 C ATOM 0 H ILE A 45 11.442 -18.597 -3.471 1.00 0.00 H new ATOM 0 HA ILE A 45 14.075 -17.501 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 45 11.663 -15.798 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.899 -17.866 -5.742 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.549 -17.591 -4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.500 -14.636 -5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.795 -14.823 -4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.739 -15.896 -5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.077 -16.649 -6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.160 -15.351 -5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.532 -15.630 -6.791 1.00 0.00 H new ATOM 697 N ARG A 46 12.630 -16.832 -1.219 1.00 0.00 N ATOM 698 CA ARG A 46 12.938 -16.319 0.146 1.00 0.00 C ATOM 699 C ARG A 46 13.774 -17.357 0.896 1.00 0.00 C ATOM 700 O ARG A 46 14.408 -17.060 1.890 1.00 0.00 O ATOM 701 CB ARG A 46 11.633 -16.068 0.905 1.00 0.00 C ATOM 702 CG ARG A 46 10.832 -14.972 0.197 1.00 0.00 C ATOM 703 CD ARG A 46 9.560 -14.672 0.995 1.00 0.00 C ATOM 704 NE ARG A 46 9.921 -14.002 2.276 1.00 0.00 N ATOM 705 CZ ARG A 46 9.581 -12.758 2.482 1.00 0.00 C ATOM 706 NH1 ARG A 46 10.466 -11.808 2.350 1.00 0.00 N ATOM 707 NH2 ARG A 46 8.355 -12.466 2.820 1.00 0.00 N ATOM 0 H ARG A 46 11.684 -17.193 -1.344 1.00 0.00 H new ATOM 0 HA ARG A 46 13.495 -15.385 0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.047 -16.986 0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.848 -15.770 1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.436 -14.069 0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.574 -15.290 -0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.896 -14.033 0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.018 -15.596 1.196 1.00 0.00 H new ATOM 0 HE ARG A 46 10.434 -14.515 2.993 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.424 -12.037 2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.199 -10.837 2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.664 -13.209 2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.088 -11.495 2.981 1.00 0.00 H new ATOM 721 N GLN A 47 13.781 -18.574 0.425 1.00 0.00 N ATOM 722 CA GLN A 47 14.575 -19.636 1.106 1.00 0.00 C ATOM 723 C GLN A 47 14.121 -19.765 2.561 1.00 0.00 C ATOM 724 O GLN A 47 14.884 -20.141 3.428 1.00 0.00 O ATOM 725 CB GLN A 47 16.059 -19.269 1.063 1.00 0.00 C ATOM 726 CG GLN A 47 16.518 -19.176 -0.392 1.00 0.00 C ATOM 727 CD GLN A 47 18.006 -18.822 -0.437 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.563 -18.364 0.541 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.677 -19.017 -1.539 1.00 0.00 N ATOM 0 H GLN A 47 13.270 -18.879 -0.403 1.00 0.00 H new ATOM 0 HA GLN A 47 14.421 -20.587 0.595 1.00 0.00 H new ATOM 0 HB2 GLN A 47 16.224 -18.318 1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.646 -20.019 1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.343 -20.124 -0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.937 -18.419 -0.920 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.209 -19.401 -2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.669 -18.785 -1.580 1.00 0.00 H new ATOM 738 N THR A 48 12.882 -19.459 2.834 1.00 0.00 N ATOM 739 CA THR A 48 12.380 -19.569 4.233 1.00 0.00 C ATOM 740 C THR A 48 11.391 -20.735 4.324 1.00 0.00 C ATOM 741 O THR A 48 11.216 -21.486 3.386 1.00 0.00 O ATOM 742 CB THR A 48 11.677 -18.268 4.629 1.00 0.00 C ATOM 743 OG1 THR A 48 10.376 -18.239 4.060 1.00 0.00 O ATOM 744 CG2 THR A 48 12.485 -17.073 4.120 1.00 0.00 C ATOM 0 H THR A 48 12.197 -19.138 2.150 1.00 0.00 H new ATOM 0 HA THR A 48 13.217 -19.746 4.909 1.00 0.00 H new ATOM 0 HB THR A 48 11.599 -18.215 5.715 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.987 -17.347 4.178 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.983 -16.148 4.403 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.482 -17.094 4.560 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.566 -17.125 3.034 1.00 0.00 H new ATOM 752 N ASN A 49 10.746 -20.893 5.447 1.00 0.00 N ATOM 753 CA ASN A 49 9.773 -22.013 5.593 1.00 0.00 C ATOM 754 C ASN A 49 8.355 -21.451 5.699 1.00 0.00 C ATOM 755 O ASN A 49 7.612 -21.780 6.602 1.00 0.00 O ATOM 756 CB ASN A 49 10.104 -22.812 6.856 1.00 0.00 C ATOM 757 CG ASN A 49 11.465 -23.491 6.682 1.00 0.00 C ATOM 758 OD1 ASN A 49 11.959 -23.611 5.579 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.094 -23.942 7.732 1.00 0.00 N ATOM 0 H ASN A 49 10.850 -20.297 6.268 1.00 0.00 H new ATOM 0 HA ASN A 49 9.837 -22.666 4.722 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.122 -22.152 7.723 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.332 -23.560 7.040 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.001 -24.396 7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.678 -23.841 8.658 1.00 0.00 H new ATOM 766 N THR A 50 7.971 -20.609 4.779 1.00 0.00 N ATOM 767 CA THR A 50 6.598 -20.030 4.823 1.00 0.00 C ATOM 768 C THR A 50 5.578 -21.108 4.456 1.00 0.00 C ATOM 769 O THR A 50 5.632 -21.689 3.391 1.00 0.00 O ATOM 770 CB THR A 50 6.495 -18.877 3.821 1.00 0.00 C ATOM 771 OG1 THR A 50 7.368 -17.827 4.216 1.00 0.00 O ATOM 772 CG2 THR A 50 5.054 -18.358 3.785 1.00 0.00 C ATOM 0 H THR A 50 8.549 -20.297 3.998 1.00 0.00 H new ATOM 0 HA THR A 50 6.395 -19.660 5.828 1.00 0.00 H new ATOM 0 HB THR A 50 6.778 -19.231 2.830 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.298 -18.122 4.123 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.981 -17.537 3.072 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.385 -19.163 3.482 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.770 -18.004 4.776 1.00 0.00 H new ATOM 780 N HIS A 51 4.644 -21.373 5.326 1.00 0.00 N ATOM 781 CA HIS A 51 3.618 -22.406 5.020 1.00 0.00 C ATOM 782 C HIS A 51 2.276 -21.718 4.780 1.00 0.00 C ATOM 783 O HIS A 51 2.180 -20.507 4.776 1.00 0.00 O ATOM 784 CB HIS A 51 3.488 -23.374 6.198 1.00 0.00 C ATOM 785 CG HIS A 51 4.850 -23.681 6.751 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.780 -24.433 6.051 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.455 -23.346 7.937 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.884 -24.526 6.815 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.739 -23.881 7.976 1.00 0.00 N ATOM 0 H HIS A 51 4.547 -20.919 6.234 1.00 0.00 H new ATOM 0 HA HIS A 51 3.916 -22.962 4.131 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.860 -22.936 6.974 1.00 0.00 H new ATOM 0 HB3 HIS A 51 3.000 -24.293 5.874 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.003 -22.757 8.721 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.778 -25.057 6.525 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.422 -23.798 8.729 1.00 0.00 H new ATOM 797 N ILE A 52 1.239 -22.479 4.582 1.00 0.00 N ATOM 798 CA ILE A 52 -0.093 -21.864 4.345 1.00 0.00 C ATOM 799 C ILE A 52 -0.703 -21.443 5.682 1.00 0.00 C ATOM 800 O ILE A 52 -0.825 -22.232 6.598 1.00 0.00 O ATOM 801 CB ILE A 52 -1.007 -22.879 3.663 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.381 -23.319 2.339 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.365 -22.229 3.399 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.382 -24.168 1.554 1.00 0.00 C ATOM 0 H ILE A 52 1.256 -23.499 4.574 1.00 0.00 H new ATOM 0 HA ILE A 52 0.018 -20.989 3.705 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.137 -23.750 4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.092 -22.446 1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.527 -23.891 2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.024 -22.948 2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.807 -21.914 4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.234 -21.361 2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.933 -24.480 0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.649 -25.049 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.278 -23.581 1.353 1.00 0.00 H new ATOM 816 N ARG A 53 -1.086 -20.204 5.800 1.00 0.00 N ATOM 817 CA ARG A 53 -1.688 -19.724 7.073 1.00 0.00 C ATOM 818 C ARG A 53 -3.154 -20.142 7.135 1.00 0.00 C ATOM 819 O ARG A 53 -3.637 -20.618 8.143 1.00 0.00 O ATOM 820 CB ARG A 53 -1.609 -18.199 7.127 1.00 0.00 C ATOM 821 CG ARG A 53 -2.155 -17.710 8.467 1.00 0.00 C ATOM 822 CD ARG A 53 -1.936 -16.201 8.593 1.00 0.00 C ATOM 823 NE ARG A 53 -2.404 -15.743 9.931 1.00 0.00 N ATOM 824 CZ ARG A 53 -1.553 -15.252 10.792 1.00 0.00 C ATOM 825 NH1 ARG A 53 -0.306 -15.637 10.770 1.00 0.00 N ATOM 826 NH2 ARG A 53 -1.951 -14.378 11.675 1.00 0.00 N ATOM 0 H ARG A 53 -1.008 -19.500 5.066 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.144 -20.156 7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.577 -17.873 7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.182 -17.765 6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.218 -17.941 8.544 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.656 -18.229 9.285 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.880 -15.964 8.464 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.479 -15.677 7.807 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.392 -15.813 10.176 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.004 -16.321 10.080 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.358 -15.253 11.442 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.926 -14.079 11.693 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.287 -13.994 12.348 1.00 0.00 H new ATOM 840 N SER A 54 -3.866 -19.950 6.064 1.00 0.00 N ATOM 841 CA SER A 54 -5.307 -20.315 6.046 1.00 0.00 C ATOM 842 C SER A 54 -5.779 -20.456 4.598 1.00 0.00 C ATOM 843 O SER A 54 -5.531 -19.602 3.770 1.00 0.00 O ATOM 844 CB SER A 54 -6.109 -19.210 6.736 1.00 0.00 C ATOM 845 OG SER A 54 -6.347 -18.155 5.818 1.00 0.00 O ATOM 0 H SER A 54 -3.510 -19.553 5.194 1.00 0.00 H new ATOM 0 HA SER A 54 -5.454 -21.260 6.568 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.055 -19.608 7.103 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.563 -18.836 7.602 1.00 0.00 H new ATOM 0 HG SER A 54 -5.869 -18.335 4.982 1.00 0.00 H new ATOM 851 N THR A 55 -6.460 -21.523 4.285 1.00 0.00 N ATOM 852 CA THR A 55 -6.948 -21.708 2.890 1.00 0.00 C ATOM 853 C THR A 55 -7.631 -20.424 2.415 1.00 0.00 C ATOM 854 O THR A 55 -8.302 -19.750 3.171 1.00 0.00 O ATOM 855 CB THR A 55 -7.951 -22.864 2.845 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.212 -22.412 3.318 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.454 -24.009 3.729 1.00 0.00 C ATOM 0 H THR A 55 -6.699 -22.273 4.933 1.00 0.00 H new ATOM 0 HA THR A 55 -6.104 -21.935 2.239 1.00 0.00 H new ATOM 0 HB THR A 55 -8.052 -23.218 1.819 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.856 -23.150 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.169 -24.831 3.696 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.486 -24.355 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.352 -23.658 4.756 1.00 0.00 H new ATOM 865 N GLY A 56 -7.464 -20.078 1.168 1.00 0.00 N ATOM 866 CA GLY A 56 -8.103 -18.839 0.645 1.00 0.00 C ATOM 867 C GLY A 56 -7.119 -17.674 0.749 1.00 0.00 C ATOM 868 O GLY A 56 -6.103 -17.760 1.410 1.00 0.00 O ATOM 0 H GLY A 56 -6.912 -20.601 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.404 -18.983 -0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.007 -18.617 1.212 1.00 0.00 H new ATOM 872 N LYS A 57 -7.416 -16.586 0.098 1.00 0.00 N ATOM 873 CA LYS A 57 -6.505 -15.408 0.153 1.00 0.00 C ATOM 874 C LYS A 57 -6.506 -14.829 1.570 1.00 0.00 C ATOM 875 O LYS A 57 -7.494 -14.892 2.275 1.00 0.00 O ATOM 876 CB LYS A 57 -6.987 -14.339 -0.831 1.00 0.00 C ATOM 877 CG LYS A 57 -6.904 -14.882 -2.258 1.00 0.00 C ATOM 878 CD LYS A 57 -7.042 -13.726 -3.249 1.00 0.00 C ATOM 879 CE LYS A 57 -7.092 -14.280 -4.674 1.00 0.00 C ATOM 880 NZ LYS A 57 -7.811 -13.319 -5.556 1.00 0.00 N ATOM 0 H LYS A 57 -8.253 -16.460 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.495 -15.720 -0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.013 -14.053 -0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.376 -13.441 -0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.954 -15.394 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.692 -15.616 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.947 -13.157 -3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.202 -13.040 -3.143 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.081 -14.446 -5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.597 -15.246 -4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.845 -13.696 -6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.780 -13.182 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.311 -12.407 -5.556 1.00 0.00 H new ATOM 894 N CYS A 58 -5.408 -14.265 1.992 1.00 0.00 N ATOM 895 CA CYS A 58 -5.351 -13.682 3.362 1.00 0.00 C ATOM 896 C CYS A 58 -6.455 -12.634 3.516 1.00 0.00 C ATOM 897 O CYS A 58 -6.804 -11.944 2.578 1.00 0.00 O ATOM 898 CB CYS A 58 -3.988 -13.022 3.577 1.00 0.00 C ATOM 899 SG CYS A 58 -2.681 -14.259 3.378 1.00 0.00 S ATOM 0 H CYS A 58 -4.549 -14.183 1.448 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.494 -14.471 4.100 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.848 -12.211 2.862 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.938 -12.582 4.573 1.00 0.00 H new ATOM 904 N GLU A 59 -7.006 -12.508 4.692 1.00 0.00 N ATOM 905 CA GLU A 59 -8.086 -11.505 4.903 1.00 0.00 C ATOM 906 C GLU A 59 -7.570 -10.381 5.804 1.00 0.00 C ATOM 907 O GLU A 59 -6.545 -9.807 5.473 1.00 0.00 O ATOM 908 CB GLU A 59 -9.286 -12.181 5.570 1.00 0.00 C ATOM 909 CG GLU A 59 -9.844 -13.261 4.641 1.00 0.00 C ATOM 910 CD GLU A 59 -11.096 -13.877 5.267 1.00 0.00 C ATOM 911 OE1 GLU A 59 -11.377 -13.564 6.412 1.00 0.00 O ATOM 912 OE2 GLU A 59 -11.753 -14.652 4.591 1.00 0.00 O ATOM 913 OXT GLU A 59 -8.208 -10.113 6.808 1.00 0.00 O ATOM 0 H GLU A 59 -6.755 -13.056 5.515 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.389 -11.090 3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.986 -12.623 6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.057 -11.442 5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.085 -12.830 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.093 -14.032 4.470 1.00 0.00 H new TER 920 GLU A 59