USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 449 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 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 40 THR OG1 : rot -170:sc= -0.843 USER MOD Single : A 44 TYR OH : rot -118:sc= 0.033 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 62:sc= 1.2 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 74:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 3 5.564 1.161 1.963 1.00 0.00 N ATOM 20 CA MET A 3 5.625 1.923 3.204 1.00 0.00 C ATOM 21 C MET A 3 6.966 2.637 3.338 1.00 0.00 C ATOM 22 O MET A 3 7.040 3.743 3.873 1.00 0.00 O ATOM 23 CB MET A 3 5.403 1.001 4.405 1.00 0.00 C ATOM 24 CG MET A 3 6.536 0.014 4.631 1.00 0.00 C ATOM 25 SD MET A 3 6.111 -1.270 5.823 1.00 0.00 S ATOM 26 CE MET A 3 6.430 -2.746 4.860 1.00 0.00 C ATOM 0 HA MET A 3 4.835 2.673 3.180 1.00 0.00 H new ATOM 0 HB2 MET A 3 5.278 1.609 5.301 1.00 0.00 H new ATOM 0 HB3 MET A 3 4.474 0.449 4.262 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.803 -0.451 3.682 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.417 0.552 4.981 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.213 -3.628 5.463 1.00 0.00 H new ATOM 0 HE2 MET A 3 5.795 -2.747 3.974 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.477 -2.763 4.556 1.00 0.00 H new ATOM 36 N GLU A 4 8.024 1.997 2.849 1.00 0.00 N ATOM 37 CA GLU A 4 9.362 2.572 2.915 1.00 0.00 C ATOM 38 C GLU A 4 9.402 3.937 2.234 1.00 0.00 C ATOM 39 O GLU A 4 9.873 4.917 2.812 1.00 0.00 O ATOM 40 CB GLU A 4 10.378 1.634 2.261 1.00 0.00 C ATOM 41 CG GLU A 4 11.822 1.975 2.589 1.00 0.00 C ATOM 42 CD GLU A 4 12.725 0.757 2.585 1.00 0.00 C ATOM 43 OE1 GLU A 4 12.637 -0.051 3.533 1.00 0.00 O ATOM 44 OE2 GLU A 4 13.520 0.612 1.632 1.00 0.00 O ATOM 0 H GLU A 4 7.980 1.081 2.403 1.00 0.00 H new ATOM 0 HA GLU A 4 9.622 2.701 3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.174 0.612 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.243 1.664 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.193 2.700 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.865 2.451 3.568 1.00 0.00 H new ATOM 51 N ARG A 5 8.906 3.992 1.003 1.00 0.00 N ATOM 52 CA ARG A 5 8.887 5.236 0.242 1.00 0.00 C ATOM 53 C ARG A 5 8.106 6.316 0.985 1.00 0.00 C ATOM 54 O ARG A 5 8.575 7.446 1.132 1.00 0.00 O ATOM 55 CB ARG A 5 8.269 5.004 -1.139 1.00 0.00 C ATOM 56 CG ARG A 5 8.955 3.907 -1.936 1.00 0.00 C ATOM 57 CD ARG A 5 10.359 4.316 -2.352 1.00 0.00 C ATOM 58 NE ARG A 5 11.133 3.183 -2.855 1.00 0.00 N ATOM 59 CZ ARG A 5 11.744 2.304 -2.069 1.00 0.00 C ATOM 60 NH1 ARG A 5 11.672 2.427 -0.750 1.00 0.00 N ATOM 61 NH2 ARG A 5 12.429 1.300 -2.601 1.00 0.00 N ATOM 0 H ARG A 5 8.512 3.190 0.511 1.00 0.00 H new ATOM 0 HA ARG A 5 9.916 5.574 0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.216 4.750 -1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.309 5.934 -1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.002 2.997 -1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.364 3.676 -2.823 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.299 5.085 -3.122 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.875 4.758 -1.500 1.00 0.00 H new ATOM 0 HE ARG A 5 11.208 3.061 -3.865 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.147 3.198 -0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.142 1.751 -0.148 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.487 1.203 -3.615 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.898 0.626 -1.996 1.00 0.00 H new ATOM 75 N LEU A 6 6.914 5.962 1.452 1.00 0.00 N ATOM 76 CA LEU A 6 6.068 6.901 2.180 1.00 0.00 C ATOM 77 C LEU A 6 6.771 7.409 3.434 1.00 0.00 C ATOM 78 O LEU A 6 6.877 8.616 3.652 1.00 0.00 O ATOM 79 CB LEU A 6 4.743 6.236 2.558 1.00 0.00 C ATOM 80 CG LEU A 6 3.528 6.634 1.720 1.00 0.00 C ATOM 81 CD1 LEU A 6 3.612 6.018 0.332 1.00 0.00 C ATOM 82 CD2 LEU A 6 2.240 6.216 2.415 1.00 0.00 C ATOM 0 H LEU A 6 6.511 5.032 1.340 1.00 0.00 H new ATOM 0 HA LEU A 6 5.868 7.752 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.869 5.156 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.530 6.465 3.602 1.00 0.00 H new ATOM 0 HG LEU A 6 3.524 7.719 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.739 6.312 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.516 6.368 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.642 4.932 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.386 6.507 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.235 5.135 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.175 6.706 3.386 1.00 0.00 H new ATOM 94 N ARG A 7 7.254 6.480 4.253 1.00 0.00 N ATOM 95 CA ARG A 7 7.949 6.834 5.485 1.00 0.00 C ATOM 96 C ARG A 7 9.167 7.704 5.190 1.00 0.00 C ATOM 97 O ARG A 7 9.385 8.726 5.842 1.00 0.00 O ATOM 98 CB ARG A 7 8.379 5.572 6.233 1.00 0.00 C ATOM 99 CG ARG A 7 7.214 4.731 6.730 1.00 0.00 C ATOM 100 CD ARG A 7 7.341 4.423 8.213 1.00 0.00 C ATOM 101 NE ARG A 7 6.211 3.644 8.710 1.00 0.00 N ATOM 102 CZ ARG A 7 5.929 3.496 10.000 1.00 0.00 C ATOM 103 NH1 ARG A 7 6.692 4.073 10.918 1.00 0.00 N ATOM 104 NH2 ARG A 7 4.882 2.771 10.373 1.00 0.00 N ATOM 0 H ARG A 7 7.177 5.477 4.086 1.00 0.00 H new ATOM 0 HA ARG A 7 7.261 7.402 6.111 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.000 4.964 5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.999 5.857 7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.278 5.259 6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.170 3.799 6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.266 3.874 8.391 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.412 5.356 8.772 1.00 0.00 H new ATOM 0 HE ARG A 7 5.604 3.188 8.029 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.497 4.632 10.634 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.474 3.958 11.908 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.293 2.327 9.669 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.667 2.658 11.364 1.00 0.00 H new ATOM 118 N ASP A 8 9.958 7.292 4.206 1.00 0.00 N ATOM 119 CA ASP A 8 11.154 8.033 3.824 1.00 0.00 C ATOM 120 C ASP A 8 10.794 9.433 3.336 1.00 0.00 C ATOM 121 O ASP A 8 11.217 10.433 3.916 1.00 0.00 O ATOM 122 CB ASP A 8 11.921 7.281 2.735 1.00 0.00 C ATOM 123 CG ASP A 8 12.464 5.952 3.222 1.00 0.00 C ATOM 124 OD1 ASP A 8 12.131 5.555 4.358 1.00 0.00 O ATOM 125 OD2 ASP A 8 13.221 5.309 2.466 1.00 0.00 O ATOM 0 H ASP A 8 9.792 6.448 3.658 1.00 0.00 H new ATOM 0 HA ASP A 8 11.789 8.127 4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.263 7.111 1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.746 7.900 2.382 1.00 0.00 H new ATOM 130 N VAL A 9 10.010 9.496 2.264 1.00 0.00 N ATOM 131 CA VAL A 9 9.592 10.773 1.697 1.00 0.00 C ATOM 132 C VAL A 9 8.950 11.661 2.757 1.00 0.00 C ATOM 133 O VAL A 9 9.397 12.783 2.995 1.00 0.00 O ATOM 134 CB VAL A 9 8.596 10.574 0.539 1.00 0.00 C ATOM 135 CG1 VAL A 9 8.148 11.917 -0.017 1.00 0.00 C ATOM 136 CG2 VAL A 9 9.215 9.715 -0.553 1.00 0.00 C ATOM 0 H VAL A 9 9.652 8.678 1.771 1.00 0.00 H new ATOM 0 HA VAL A 9 10.490 11.259 1.315 1.00 0.00 H new ATOM 0 HB VAL A 9 7.717 10.056 0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.445 11.756 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.663 12.494 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.015 12.465 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.498 9.584 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.111 10.204 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.480 8.741 -0.143 1.00 0.00 H new ATOM 146 N ARG A 10 7.899 11.152 3.391 1.00 0.00 N ATOM 147 CA ARG A 10 7.195 11.899 4.426 1.00 0.00 C ATOM 148 C ARG A 10 8.168 12.414 5.483 1.00 0.00 C ATOM 149 O ARG A 10 8.061 13.553 5.935 1.00 0.00 O ATOM 150 CB ARG A 10 6.129 11.021 5.084 1.00 0.00 C ATOM 151 CG ARG A 10 5.402 11.702 6.232 1.00 0.00 C ATOM 152 CD ARG A 10 4.080 11.016 6.539 1.00 0.00 C ATOM 153 NE ARG A 10 4.086 10.379 7.853 1.00 0.00 N ATOM 154 CZ ARG A 10 3.233 9.426 8.212 1.00 0.00 C ATOM 155 NH1 ARG A 10 2.311 9.002 7.360 1.00 0.00 N ATOM 156 NH2 ARG A 10 3.302 8.896 9.427 1.00 0.00 N ATOM 0 H ARG A 10 7.516 10.225 3.206 1.00 0.00 H new ATOM 0 HA ARG A 10 6.711 12.754 3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.401 10.722 4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.599 10.109 5.453 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.033 11.692 7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.221 12.747 5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.273 11.748 6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.874 10.267 5.774 1.00 0.00 H new ATOM 0 HE ARG A 10 4.784 10.682 8.533 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.255 9.407 6.426 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.657 8.270 7.638 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.010 9.220 10.085 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.647 8.164 9.702 1.00 0.00 H new ATOM 170 N GLU A 11 9.115 11.565 5.871 1.00 0.00 N ATOM 171 CA GLU A 11 10.105 11.935 6.875 1.00 0.00 C ATOM 172 C GLU A 11 11.030 13.030 6.351 1.00 0.00 C ATOM 173 O GLU A 11 11.380 13.961 7.076 1.00 0.00 O ATOM 174 CB GLU A 11 10.928 10.712 7.287 1.00 0.00 C ATOM 175 CG GLU A 11 11.939 10.999 8.383 1.00 0.00 C ATOM 176 CD GLU A 11 11.366 11.855 9.496 1.00 0.00 C ATOM 177 OE1 GLU A 11 10.416 11.400 10.166 1.00 0.00 O ATOM 178 OE2 GLU A 11 11.869 12.981 9.696 1.00 0.00 O ATOM 0 H GLU A 11 9.217 10.618 5.506 1.00 0.00 H new ATOM 0 HA GLU A 11 9.574 12.318 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.252 9.927 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.452 10.326 6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.294 10.057 8.800 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.804 11.502 7.951 1.00 0.00 H new ATOM 185 N ARG A 12 11.422 12.910 5.086 1.00 0.00 N ATOM 186 CA ARG A 12 12.307 13.887 4.465 1.00 0.00 C ATOM 187 C ARG A 12 11.668 15.273 4.459 1.00 0.00 C ATOM 188 O ARG A 12 12.307 16.265 4.810 1.00 0.00 O ATOM 189 CB ARG A 12 12.645 13.464 3.034 1.00 0.00 C ATOM 190 CG ARG A 12 13.792 12.470 2.949 1.00 0.00 C ATOM 191 CD ARG A 12 13.696 11.616 1.694 1.00 0.00 C ATOM 192 NE ARG A 12 14.963 10.961 1.380 1.00 0.00 N ATOM 193 CZ ARG A 12 15.085 9.988 0.483 1.00 0.00 C ATOM 194 NH1 ARG A 12 14.023 9.561 -0.185 1.00 0.00 N ATOM 195 NH2 ARG A 12 16.272 9.441 0.253 1.00 0.00 N ATOM 0 H ARG A 12 11.140 12.146 4.472 1.00 0.00 H new ATOM 0 HA ARG A 12 13.225 13.931 5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.759 13.025 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.899 14.350 2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.741 13.006 2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.784 11.827 3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.921 10.861 1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.392 12.240 0.853 1.00 0.00 H new ATOM 0 HE ARG A 12 15.800 11.267 1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.109 9.979 -0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.120 8.814 -0.873 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.092 9.767 0.765 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.365 8.694 -0.436 1.00 0.00 H new ATOM 209 N LEU A 13 10.403 15.333 4.057 1.00 0.00 N ATOM 210 CA LEU A 13 9.676 16.597 4.005 1.00 0.00 C ATOM 211 C LEU A 13 9.499 17.182 5.402 1.00 0.00 C ATOM 212 O LEU A 13 9.811 18.349 5.640 1.00 0.00 O ATOM 213 CB LEU A 13 8.310 16.396 3.347 1.00 0.00 C ATOM 214 CG LEU A 13 7.946 17.385 2.239 1.00 0.00 C ATOM 215 CD1 LEU A 13 6.626 16.998 1.591 1.00 0.00 C ATOM 216 CD2 LEU A 13 7.876 18.801 2.791 1.00 0.00 C ATOM 0 H LEU A 13 9.860 14.522 3.762 1.00 0.00 H new ATOM 0 HA LEU A 13 10.260 17.299 3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.273 15.388 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.545 16.451 4.121 1.00 0.00 H new ATOM 0 HG LEU A 13 8.725 17.351 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.383 17.713 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.711 16.000 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.837 17.003 2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.616 19.492 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.117 18.850 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.844 19.077 3.208 1.00 0.00 H new ATOM 228 N GLN A 14 9.000 16.363 6.322 1.00 0.00 N ATOM 229 CA GLN A 14 8.783 16.800 7.696 1.00 0.00 C ATOM 230 C GLN A 14 10.045 17.437 8.270 1.00 0.00 C ATOM 231 O GLN A 14 10.057 18.622 8.603 1.00 0.00 O ATOM 232 CB GLN A 14 8.353 15.618 8.567 1.00 0.00 C ATOM 233 CG GLN A 14 7.002 15.038 8.181 1.00 0.00 C ATOM 234 CD GLN A 14 5.851 15.701 8.913 1.00 0.00 C ATOM 235 OE1 GLN A 14 5.113 16.501 8.337 1.00 0.00 O ATOM 236 NE2 GLN A 14 5.692 15.371 10.189 1.00 0.00 N ATOM 0 H GLN A 14 8.739 15.394 6.141 1.00 0.00 H new ATOM 0 HA GLN A 14 7.990 17.548 7.692 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.108 14.835 8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.317 15.939 9.608 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.857 15.150 7.107 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.996 13.969 8.394 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.327 14.703 10.626 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.934 15.785 10.732 1.00 0.00 H new ATOM 245 N ALA A 15 11.104 16.642 8.384 1.00 0.00 N ATOM 246 CA ALA A 15 12.370 17.129 8.916 1.00 0.00 C ATOM 247 C ALA A 15 12.865 18.341 8.133 1.00 0.00 C ATOM 248 O ALA A 15 13.352 19.310 8.715 1.00 0.00 O ATOM 249 CB ALA A 15 13.413 16.022 8.892 1.00 0.00 C ATOM 0 H ALA A 15 11.110 15.658 8.115 1.00 0.00 H new ATOM 0 HA ALA A 15 12.207 17.438 9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.354 16.400 9.292 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.070 15.185 9.501 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.564 15.686 7.866 1.00 0.00 H new ATOM 255 N TRP A 16 12.737 18.279 6.813 1.00 0.00 N ATOM 256 CA TRP A 16 13.172 19.372 5.951 1.00 0.00 C ATOM 257 C TRP A 16 12.585 20.700 6.417 1.00 0.00 C ATOM 258 O TRP A 16 13.280 21.518 7.020 1.00 0.00 O ATOM 259 CB TRP A 16 12.764 19.101 4.502 1.00 0.00 C ATOM 260 CG TRP A 16 12.940 20.287 3.603 1.00 0.00 C ATOM 261 CD1 TRP A 16 11.985 20.870 2.820 1.00 0.00 C ATOM 262 CD2 TRP A 16 14.145 21.031 3.393 1.00 0.00 C ATOM 263 NE1 TRP A 16 12.524 21.933 2.136 1.00 0.00 N ATOM 264 CE2 TRP A 16 13.847 22.053 2.471 1.00 0.00 C ATOM 265 CE3 TRP A 16 15.445 20.935 3.896 1.00 0.00 C ATOM 266 CZ2 TRP A 16 14.803 22.970 2.042 1.00 0.00 C ATOM 267 CZ3 TRP A 16 16.393 21.846 3.469 1.00 0.00 C ATOM 268 CH2 TRP A 16 16.068 22.853 2.551 1.00 0.00 C ATOM 0 H TRP A 16 12.336 17.484 6.316 1.00 0.00 H new ATOM 0 HA TRP A 16 14.259 19.436 6.009 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.354 18.270 4.115 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.720 18.788 4.479 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.958 20.544 2.749 1.00 0.00 H new ATOM 0 HE1 TRP A 16 12.021 22.535 1.484 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.704 20.163 4.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.555 23.746 1.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 17.402 21.780 3.850 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.831 23.551 2.239 1.00 0.00 H new ATOM 279 N GLU A 17 11.303 20.907 6.135 1.00 0.00 N ATOM 280 CA GLU A 17 10.624 22.137 6.526 1.00 0.00 C ATOM 281 C GLU A 17 10.837 22.428 8.009 1.00 0.00 C ATOM 282 O GLU A 17 10.922 23.586 8.419 1.00 0.00 O ATOM 283 CB GLU A 17 9.127 22.038 6.225 1.00 0.00 C ATOM 284 CG GLU A 17 8.421 20.940 7.002 1.00 0.00 C ATOM 285 CD GLU A 17 7.984 21.391 8.382 1.00 0.00 C ATOM 286 OE1 GLU A 17 8.113 22.597 8.680 1.00 0.00 O ATOM 287 OE2 GLU A 17 7.513 20.539 9.164 1.00 0.00 O ATOM 0 H GLU A 17 10.714 20.239 5.638 1.00 0.00 H new ATOM 0 HA GLU A 17 11.050 22.956 5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.655 22.994 6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.990 21.862 5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.549 20.605 6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.087 20.082 7.098 1.00 0.00 H new ATOM 294 N ARG A 18 10.922 21.369 8.808 1.00 0.00 N ATOM 295 CA ARG A 18 11.123 21.511 10.245 1.00 0.00 C ATOM 296 C ARG A 18 12.348 22.371 10.540 1.00 0.00 C ATOM 297 O ARG A 18 12.223 23.533 10.928 1.00 0.00 O ATOM 298 CB ARG A 18 11.284 20.136 10.896 1.00 0.00 C ATOM 299 CG ARG A 18 10.022 19.636 11.582 1.00 0.00 C ATOM 300 CD ARG A 18 9.645 20.514 12.764 1.00 0.00 C ATOM 301 NE ARG A 18 8.537 21.411 12.448 1.00 0.00 N ATOM 302 CZ ARG A 18 7.283 21.002 12.287 1.00 0.00 C ATOM 303 NH1 ARG A 18 6.981 19.717 12.413 1.00 0.00 N ATOM 304 NH2 ARG A 18 6.329 21.878 12.001 1.00 0.00 N ATOM 0 H ARG A 18 10.855 20.404 8.485 1.00 0.00 H new ATOM 0 HA ARG A 18 10.245 22.004 10.663 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.584 19.416 10.135 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.091 20.182 11.627 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.201 19.616 10.866 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.173 18.611 11.922 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.371 19.884 13.611 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.511 21.101 13.070 1.00 0.00 H new ATOM 0 HE ARG A 18 8.737 22.406 12.345 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.712 19.041 12.634 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.018 19.405 12.289 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.557 22.867 11.904 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.367 21.562 11.878 1.00 0.00 H new ATOM 318 N ALA A 19 13.530 21.793 10.355 1.00 0.00 N ATOM 319 CA ALA A 19 14.777 22.507 10.601 1.00 0.00 C ATOM 320 C ALA A 19 14.929 23.688 9.649 1.00 0.00 C ATOM 321 O ALA A 19 15.483 24.726 10.014 1.00 0.00 O ATOM 322 CB ALA A 19 15.961 21.562 10.467 1.00 0.00 C ATOM 0 H ALA A 19 13.650 20.832 10.035 1.00 0.00 H new ATOM 0 HA ALA A 19 14.751 22.896 11.619 1.00 0.00 H new ATOM 0 HB1 ALA A 19 16.886 22.108 10.653 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.865 20.753 11.192 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.982 21.146 9.460 1.00 0.00 H new ATOM 328 N PHE A 20 14.435 23.524 8.426 1.00 0.00 N ATOM 329 CA PHE A 20 14.519 24.577 7.420 1.00 0.00 C ATOM 330 C PHE A 20 14.004 25.902 7.976 1.00 0.00 C ATOM 331 O PHE A 20 14.768 26.851 8.155 1.00 0.00 O ATOM 332 CB PHE A 20 13.718 24.187 6.176 1.00 0.00 C ATOM 333 CG PHE A 20 13.369 25.355 5.298 1.00 0.00 C ATOM 334 CD1 PHE A 20 14.361 26.182 4.796 1.00 0.00 C ATOM 335 CD2 PHE A 20 12.049 25.625 4.974 1.00 0.00 C ATOM 336 CE1 PHE A 20 14.043 27.257 3.988 1.00 0.00 C ATOM 337 CE2 PHE A 20 11.726 26.698 4.165 1.00 0.00 C ATOM 338 CZ PHE A 20 12.724 27.516 3.672 1.00 0.00 C ATOM 0 H PHE A 20 13.973 22.672 8.108 1.00 0.00 H new ATOM 0 HA PHE A 20 15.567 24.701 7.145 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.292 23.465 5.595 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.800 23.689 6.486 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.395 25.984 5.039 1.00 0.00 H new ATOM 0 HD2 PHE A 20 11.264 24.990 5.358 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.826 27.894 3.604 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.694 26.897 3.918 1.00 0.00 H new ATOM 0 HZ PHE A 20 12.473 28.356 3.041 1.00 0.00 H new ATOM 348 N ARG A 21 12.704 25.958 8.245 1.00 0.00 N ATOM 349 CA ARG A 21 12.086 27.166 8.778 1.00 0.00 C ATOM 350 C ARG A 21 12.641 27.497 10.160 1.00 0.00 C ATOM 351 O ARG A 21 12.435 28.595 10.677 1.00 0.00 O ATOM 352 CB ARG A 21 10.567 26.997 8.855 1.00 0.00 C ATOM 353 CG ARG A 21 10.107 26.155 10.033 1.00 0.00 C ATOM 354 CD ARG A 21 9.638 27.024 11.189 1.00 0.00 C ATOM 355 NE ARG A 21 8.181 27.099 11.262 1.00 0.00 N ATOM 356 CZ ARG A 21 7.527 27.998 11.990 1.00 0.00 C ATOM 357 NH1 ARG A 21 8.197 28.892 12.704 1.00 0.00 N ATOM 358 NH2 ARG A 21 6.200 28.003 12.004 1.00 0.00 N ATOM 0 H ARG A 21 12.058 25.181 8.103 1.00 0.00 H new ATOM 0 HA ARG A 21 12.320 27.990 8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.103 27.981 8.920 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.214 26.538 7.931 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.296 25.498 9.718 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.924 25.515 10.366 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.028 26.623 12.125 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.047 28.028 11.077 1.00 0.00 H new ATOM 0 HE ARG A 21 7.636 26.425 10.725 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.217 28.891 12.695 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.692 29.581 13.262 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.682 27.317 11.456 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.698 28.693 12.563 1.00 0.00 H new ATOM 372 N ARG A 22 13.347 26.539 10.753 1.00 0.00 N ATOM 373 CA ARG A 22 13.931 26.728 12.076 1.00 0.00 C ATOM 374 C ARG A 22 15.163 27.625 12.003 1.00 0.00 C ATOM 375 O ARG A 22 15.356 28.500 12.846 1.00 0.00 O ATOM 376 CB ARG A 22 14.305 25.377 12.689 1.00 0.00 C ATOM 377 CG ARG A 22 13.825 25.205 14.121 1.00 0.00 C ATOM 378 CD ARG A 22 14.277 23.874 14.703 1.00 0.00 C ATOM 379 NE ARG A 22 13.958 23.762 16.124 1.00 0.00 N ATOM 380 CZ ARG A 22 14.297 22.719 16.873 1.00 0.00 C ATOM 381 NH1 ARG A 22 14.962 21.703 16.339 1.00 0.00 N ATOM 382 NH2 ARG A 22 13.970 22.690 18.159 1.00 0.00 N ATOM 0 H ARG A 22 13.528 25.625 10.338 1.00 0.00 H new ATOM 0 HA ARG A 22 13.187 27.213 12.709 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.885 24.580 12.075 1.00 0.00 H new ATOM 0 HB3 ARG A 22 15.389 25.262 12.662 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.207 26.021 14.735 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.737 25.266 14.151 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.799 23.059 14.159 1.00 0.00 H new ATOM 0 HD3 ARG A 22 15.352 23.763 14.563 1.00 0.00 H new ATOM 0 HE ARG A 22 13.447 24.527 16.565 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.214 21.722 15.351 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.221 20.903 16.917 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.458 23.469 18.573 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.231 21.889 18.734 1.00 0.00 H new ATOM 396 N GLN A 23 15.994 27.399 10.990 1.00 0.00 N ATOM 397 CA GLN A 23 17.208 28.186 10.808 1.00 0.00 C ATOM 398 C GLN A 23 16.979 29.319 9.813 1.00 0.00 C ATOM 399 O GLN A 23 17.401 30.453 10.041 1.00 0.00 O ATOM 400 CB GLN A 23 18.353 27.293 10.328 1.00 0.00 C ATOM 401 CG GLN A 23 18.058 26.578 9.019 1.00 0.00 C ATOM 402 CD GLN A 23 19.123 25.562 8.656 1.00 0.00 C ATOM 403 OE1 GLN A 23 19.942 25.179 9.492 1.00 0.00 O ATOM 404 NE2 GLN A 23 19.118 25.119 7.404 1.00 0.00 N ATOM 0 H GLN A 23 15.849 26.678 10.283 1.00 0.00 H new ATOM 0 HA GLN A 23 17.476 28.622 11.771 1.00 0.00 H new ATOM 0 HB2 GLN A 23 19.250 27.900 10.207 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.571 26.551 11.096 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.093 26.077 9.093 1.00 0.00 H new ATOM 0 HG3 GLN A 23 17.975 27.313 8.219 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.421 25.463 6.744 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.811 24.434 7.103 1.00 0.00 H new ATOM 413 N ARG A 24 16.308 29.004 8.710 1.00 0.00 N ATOM 414 CA ARG A 24 16.025 29.995 7.679 1.00 0.00 C ATOM 415 C ARG A 24 14.928 30.954 8.133 1.00 0.00 C ATOM 416 O ARG A 24 15.040 32.167 7.964 1.00 0.00 O ATOM 417 CB ARG A 24 15.607 29.305 6.379 1.00 0.00 C ATOM 418 CG ARG A 24 16.776 28.749 5.582 1.00 0.00 C ATOM 419 CD ARG A 24 17.353 29.792 4.638 1.00 0.00 C ATOM 420 NE ARG A 24 18.698 29.442 4.190 1.00 0.00 N ATOM 421 CZ ARG A 24 19.785 29.599 4.937 1.00 0.00 C ATOM 422 NH1 ARG A 24 19.685 30.098 6.162 1.00 0.00 N ATOM 423 NH2 ARG A 24 20.975 29.257 4.460 1.00 0.00 N ATOM 0 H ARG A 24 15.950 28.070 8.507 1.00 0.00 H new ATOM 0 HA ARG A 24 16.935 30.568 7.502 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.919 28.493 6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.061 30.016 5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.553 28.406 6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.448 27.881 5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.699 29.898 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.378 30.760 5.139 1.00 0.00 H new ATOM 0 HE ARG A 24 18.809 29.056 3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.772 30.362 6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.521 30.218 6.734 1.00 0.00 H new ATOM 0 HH21 ARG A 24 21.056 28.873 3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.809 29.378 5.035 1.00 0.00 H new ATOM 437 N GLY A 25 13.867 30.399 8.712 1.00 0.00 N ATOM 438 CA GLY A 25 12.765 31.219 9.181 1.00 0.00 C ATOM 439 C GLY A 25 12.141 32.042 8.071 1.00 0.00 C ATOM 440 O GLY A 25 11.673 33.157 8.304 1.00 0.00 O ATOM 0 H GLY A 25 13.751 29.397 8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.004 30.579 9.626 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.121 31.885 9.967 1.00 0.00 H new ATOM 444 N ARG A 26 12.136 31.494 6.861 1.00 0.00 N ATOM 445 CA ARG A 26 11.567 32.186 5.711 1.00 0.00 C ATOM 446 C ARG A 26 11.757 31.369 4.436 1.00 0.00 C ATOM 447 O ARG A 26 12.245 30.240 4.478 1.00 0.00 O ATOM 448 CB ARG A 26 12.214 33.563 5.547 1.00 0.00 C ATOM 449 CG ARG A 26 13.726 33.548 5.704 1.00 0.00 C ATOM 450 CD ARG A 26 14.394 34.529 4.752 1.00 0.00 C ATOM 451 NE ARG A 26 15.818 34.250 4.590 1.00 0.00 N ATOM 452 CZ ARG A 26 16.582 34.836 3.675 1.00 0.00 C ATOM 453 NH1 ARG A 26 16.062 35.728 2.845 1.00 0.00 N ATOM 454 NH2 ARG A 26 17.871 34.529 3.590 1.00 0.00 N ATOM 0 H ARG A 26 12.520 30.572 6.651 1.00 0.00 H new ATOM 0 HA ARG A 26 10.499 32.312 5.886 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.963 33.958 4.562 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.788 34.245 6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.989 33.800 6.731 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.103 32.543 5.516 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.903 34.483 3.780 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.264 35.544 5.127 1.00 0.00 H new ATOM 0 HE ARG A 26 16.250 33.568 5.214 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.072 35.967 2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.651 36.176 2.143 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.275 33.843 4.228 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.457 34.979 2.887 1.00 0.00 H new ATOM 468 N ARG A 27 11.366 31.947 3.305 1.00 0.00 N ATOM 469 CA ARG A 27 11.491 31.272 2.019 1.00 0.00 C ATOM 470 C ARG A 27 12.898 30.711 1.834 1.00 0.00 C ATOM 471 O ARG A 27 13.873 31.220 2.386 1.00 0.00 O ATOM 472 CB ARG A 27 11.161 32.237 0.878 1.00 0.00 C ATOM 473 CG ARG A 27 9.901 31.867 0.113 1.00 0.00 C ATOM 474 CD ARG A 27 8.840 32.950 0.230 1.00 0.00 C ATOM 475 NE ARG A 27 9.252 34.193 -0.416 1.00 0.00 N ATOM 476 CZ ARG A 27 9.293 34.357 -1.734 1.00 0.00 C ATOM 477 NH1 ARG A 27 8.949 33.363 -2.540 1.00 0.00 N ATOM 478 NH2 ARG A 27 9.679 35.518 -2.247 1.00 0.00 N ATOM 0 H ARG A 27 10.960 32.881 3.253 1.00 0.00 H new ATOM 0 HA ARG A 27 10.783 30.444 2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.047 33.242 1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.001 32.267 0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.145 31.707 -0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.505 30.926 0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.912 32.598 -0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.631 33.141 1.283 1.00 0.00 H new ATOM 0 HE ARG A 27 9.523 34.978 0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.652 32.469 -2.149 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.981 33.492 -3.551 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.945 36.285 -1.630 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.710 35.643 -3.259 1.00 0.00 H new ATOM 492 N PRO A 28 13.006 29.635 1.040 1.00 0.00 N ATOM 493 CA PRO A 28 14.289 28.981 0.764 1.00 0.00 C ATOM 494 C PRO A 28 15.201 29.838 -0.107 1.00 0.00 C ATOM 495 O PRO A 28 14.807 30.910 -0.568 1.00 0.00 O ATOM 496 CB PRO A 28 13.884 27.706 0.021 1.00 0.00 C ATOM 497 CG PRO A 28 12.568 28.030 -0.599 1.00 0.00 C ATOM 498 CD PRO A 28 11.885 28.975 0.350 1.00 0.00 C ATOM 0 HA PRO A 28 14.857 28.797 1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.622 27.437 -0.735 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.803 26.859 0.703 1.00 0.00 H new ATOM 0 HG2 PRO A 28 12.701 28.489 -1.579 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.974 27.128 -0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.260 29.694 -0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 28 11.239 28.445 1.050 1.00 0.00 H new ATOM 506 N SER A 29 16.421 29.360 -0.329 1.00 0.00 N ATOM 507 CA SER A 29 17.390 30.084 -1.142 1.00 0.00 C ATOM 508 C SER A 29 18.098 29.142 -2.112 1.00 0.00 C ATOM 509 O SER A 29 18.158 27.934 -1.886 1.00 0.00 O ATOM 510 CB SER A 29 18.418 30.781 -0.249 1.00 0.00 C ATOM 511 OG SER A 29 19.034 31.862 -0.927 1.00 0.00 O ATOM 0 H SER A 29 16.762 28.474 0.043 1.00 0.00 H new ATOM 0 HA SER A 29 16.852 30.836 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.931 31.145 0.655 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.177 30.064 0.064 1.00 0.00 H new ATOM 0 HG SER A 29 19.685 32.292 -0.334 1.00 0.00 H new ATOM 517 N GLN A 30 18.632 29.705 -3.191 1.00 0.00 N ATOM 518 CA GLN A 30 19.335 28.916 -4.195 1.00 0.00 C ATOM 519 C GLN A 30 20.495 28.148 -3.570 1.00 0.00 C ATOM 520 O GLN A 30 20.969 27.158 -4.127 1.00 0.00 O ATOM 521 CB GLN A 30 19.851 29.821 -5.315 1.00 0.00 C ATOM 522 CG GLN A 30 18.745 30.480 -6.124 1.00 0.00 C ATOM 523 CD GLN A 30 19.157 31.825 -6.688 1.00 0.00 C ATOM 524 OE1 GLN A 30 20.298 32.012 -7.110 1.00 0.00 O ATOM 525 NE2 GLN A 30 18.226 32.773 -6.698 1.00 0.00 N ATOM 0 H GLN A 30 18.591 30.704 -3.392 1.00 0.00 H new ATOM 0 HA GLN A 30 18.631 28.197 -4.614 1.00 0.00 H new ATOM 0 HB2 GLN A 30 20.484 30.596 -4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.479 29.234 -5.985 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.456 29.820 -6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.866 30.609 -5.493 1.00 0.00 H new ATOM 0 HE21 GLN A 30 17.292 32.575 -6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 30 18.445 33.699 -7.066 1.00 0.00 H new ATOM 534 N ASP A 31 20.948 28.612 -2.411 1.00 0.00 N ATOM 535 CA ASP A 31 22.053 27.968 -1.709 1.00 0.00 C ATOM 536 C ASP A 31 21.616 26.632 -1.117 1.00 0.00 C ATOM 537 O ASP A 31 22.299 25.620 -1.271 1.00 0.00 O ATOM 538 CB ASP A 31 22.584 28.881 -0.603 1.00 0.00 C ATOM 539 CG ASP A 31 24.037 29.259 -0.811 1.00 0.00 C ATOM 540 OD1 ASP A 31 24.918 28.455 -0.442 1.00 0.00 O ATOM 541 OD2 ASP A 31 24.293 30.359 -1.345 1.00 0.00 O ATOM 0 H ASP A 31 20.568 29.431 -1.937 1.00 0.00 H new ATOM 0 HA ASP A 31 22.850 27.782 -2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 31 21.979 29.786 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 31 22.476 28.381 0.360 1.00 0.00 H new ATOM 546 N ASP A 32 20.474 26.637 -0.438 1.00 0.00 N ATOM 547 CA ASP A 32 19.945 25.426 0.178 1.00 0.00 C ATOM 548 C ASP A 32 19.203 24.574 -0.848 1.00 0.00 C ATOM 549 O ASP A 32 19.183 23.347 -0.753 1.00 0.00 O ATOM 550 CB ASP A 32 19.011 25.782 1.335 1.00 0.00 C ATOM 551 CG ASP A 32 19.427 25.129 2.638 1.00 0.00 C ATOM 552 OD1 ASP A 32 19.836 23.949 2.606 1.00 0.00 O ATOM 553 OD2 ASP A 32 19.345 25.797 3.689 1.00 0.00 O ATOM 0 H ASP A 32 19.897 27.467 -0.300 1.00 0.00 H new ATOM 0 HA ASP A 32 20.785 24.848 0.565 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.994 26.864 1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.995 25.474 1.086 1.00 0.00 H new ATOM 558 N VAL A 33 18.592 25.234 -1.827 1.00 0.00 N ATOM 559 CA VAL A 33 17.848 24.538 -2.870 1.00 0.00 C ATOM 560 C VAL A 33 18.788 23.790 -3.809 1.00 0.00 C ATOM 561 O VAL A 33 18.581 22.613 -4.101 1.00 0.00 O ATOM 562 CB VAL A 33 16.988 25.515 -3.693 1.00 0.00 C ATOM 563 CG1 VAL A 33 16.272 24.781 -4.816 1.00 0.00 C ATOM 564 CG2 VAL A 33 15.993 26.235 -2.795 1.00 0.00 C ATOM 0 H VAL A 33 18.598 26.250 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 33 17.194 23.823 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 33 17.644 26.261 -4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.669 25.488 -5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.007 24.317 -5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.626 24.011 -4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.394 26.921 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.340 25.505 -2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.532 26.795 -2.031 1.00 0.00 H new ATOM 574 N GLU A 34 19.822 24.482 -4.278 1.00 0.00 N ATOM 575 CA GLU A 34 20.793 23.882 -5.185 1.00 0.00 C ATOM 576 C GLU A 34 21.737 22.950 -4.431 1.00 0.00 C ATOM 577 O GLU A 34 22.530 22.229 -5.038 1.00 0.00 O ATOM 578 CB GLU A 34 21.597 24.971 -5.899 1.00 0.00 C ATOM 579 CG GLU A 34 22.139 24.539 -7.251 1.00 0.00 C ATOM 580 CD GLU A 34 22.021 25.626 -8.302 1.00 0.00 C ATOM 581 OE1 GLU A 34 20.954 26.272 -8.369 1.00 0.00 O ATOM 582 OE2 GLU A 34 22.994 25.830 -9.057 1.00 0.00 O ATOM 0 H GLU A 34 20.008 25.457 -4.045 1.00 0.00 H new ATOM 0 HA GLU A 34 20.248 23.298 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 34 20.964 25.848 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.429 25.273 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 34 23.186 24.254 -7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 34 21.600 23.653 -7.588 1.00 0.00 H new ATOM 589 N ALA A 35 21.646 22.970 -3.106 1.00 0.00 N ATOM 590 CA ALA A 35 22.490 22.126 -2.269 1.00 0.00 C ATOM 591 C ALA A 35 22.035 20.672 -2.319 1.00 0.00 C ATOM 592 O ALA A 35 22.851 19.753 -2.253 1.00 0.00 O ATOM 593 CB ALA A 35 22.487 22.633 -0.834 1.00 0.00 C ATOM 0 H ALA A 35 20.996 23.562 -2.588 1.00 0.00 H new ATOM 0 HA ALA A 35 23.507 22.174 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 35 23.121 21.993 -0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 35 22.868 23.654 -0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.469 22.616 -0.444 1.00 0.00 H new ATOM 599 N ALA A 36 20.726 20.471 -2.436 1.00 0.00 N ATOM 600 CA ALA A 36 20.162 19.128 -2.496 1.00 0.00 C ATOM 601 C ALA A 36 20.174 18.591 -3.923 1.00 0.00 C ATOM 602 O ALA A 36 20.282 19.341 -4.893 1.00 0.00 O ATOM 603 CB ALA A 36 18.745 19.125 -1.941 1.00 0.00 C ATOM 0 H ALA A 36 20.037 21.221 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 36 20.782 18.473 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.336 18.116 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.760 19.458 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.122 19.799 -2.530 1.00 0.00 H new ATOM 609 N PRO A 37 20.062 17.261 -4.057 1.00 0.00 N ATOM 610 CA PRO A 37 20.057 16.594 -5.362 1.00 0.00 C ATOM 611 C PRO A 37 18.786 16.880 -6.155 1.00 0.00 C ATOM 612 O PRO A 37 17.921 17.631 -5.707 1.00 0.00 O ATOM 613 CB PRO A 37 20.141 15.109 -5.002 1.00 0.00 C ATOM 614 CG PRO A 37 19.566 15.019 -3.630 1.00 0.00 C ATOM 615 CD PRO A 37 19.930 16.306 -2.944 1.00 0.00 C ATOM 0 HA PRO A 37 20.872 16.939 -5.999 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.578 14.498 -5.708 1.00 0.00 H new ATOM 0 HB3 PRO A 37 21.171 14.754 -5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.484 14.889 -3.668 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.971 14.162 -3.092 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.160 16.616 -2.238 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.859 16.213 -2.382 1.00 0.00 H new ATOM 623 N GLU A 38 18.681 16.275 -7.334 1.00 0.00 N ATOM 624 CA GLU A 38 17.515 16.465 -8.188 1.00 0.00 C ATOM 625 C GLU A 38 16.238 16.037 -7.469 1.00 0.00 C ATOM 626 O GLU A 38 15.324 16.838 -7.279 1.00 0.00 O ATOM 627 CB GLU A 38 17.672 15.673 -9.488 1.00 0.00 C ATOM 628 CG GLU A 38 17.780 16.549 -10.725 1.00 0.00 C ATOM 629 CD GLU A 38 19.142 17.203 -10.859 1.00 0.00 C ATOM 630 OE1 GLU A 38 19.916 17.166 -9.879 1.00 0.00 O ATOM 631 OE2 GLU A 38 19.432 17.753 -11.941 1.00 0.00 O ATOM 0 H GLU A 38 19.389 15.650 -7.719 1.00 0.00 H new ATOM 0 HA GLU A 38 17.440 17.526 -8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.562 15.047 -9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.820 15.003 -9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.582 15.946 -11.611 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.012 17.322 -10.687 1.00 0.00 H new ATOM 638 N GLU A 39 16.186 14.769 -7.075 1.00 0.00 N ATOM 639 CA GLU A 39 15.021 14.234 -6.379 1.00 0.00 C ATOM 640 C GLU A 39 14.616 15.141 -5.220 1.00 0.00 C ATOM 641 O GLU A 39 13.469 15.581 -5.132 1.00 0.00 O ATOM 642 CB GLU A 39 15.312 12.824 -5.860 1.00 0.00 C ATOM 643 CG GLU A 39 14.827 11.722 -6.787 1.00 0.00 C ATOM 644 CD GLU A 39 15.227 10.340 -6.309 1.00 0.00 C ATOM 645 OE1 GLU A 39 15.907 10.246 -5.266 1.00 0.00 O ATOM 646 OE2 GLU A 39 14.860 9.352 -6.979 1.00 0.00 O ATOM 0 H GLU A 39 16.935 14.094 -7.225 1.00 0.00 H new ATOM 0 HA GLU A 39 14.195 14.189 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.386 12.715 -5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.841 12.700 -4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.741 11.774 -6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.231 11.888 -7.786 1.00 0.00 H new ATOM 653 N THR A 40 15.565 15.416 -4.332 1.00 0.00 N ATOM 654 CA THR A 40 15.308 16.268 -3.177 1.00 0.00 C ATOM 655 C THR A 40 14.806 17.641 -3.609 1.00 0.00 C ATOM 656 O THR A 40 13.823 18.150 -3.070 1.00 0.00 O ATOM 657 CB THR A 40 16.573 16.444 -2.316 1.00 0.00 C ATOM 658 OG1 THR A 40 17.076 15.164 -1.917 1.00 0.00 O ATOM 659 CG2 THR A 40 16.276 17.285 -1.084 1.00 0.00 C ATOM 0 H THR A 40 16.520 15.061 -4.390 1.00 0.00 H new ATOM 0 HA THR A 40 14.540 15.773 -2.583 1.00 0.00 H new ATOM 0 HB THR A 40 17.325 16.958 -2.915 1.00 0.00 H new ATOM 0 HG1 THR A 40 17.780 15.284 -1.246 1.00 0.00 H new ATOM 0 HG21 THR A 40 17.184 17.396 -0.491 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.921 18.269 -1.392 1.00 0.00 H new ATOM 0 HG23 THR A 40 15.509 16.794 -0.485 1.00 0.00 H new ATOM 667 N ARG A 41 15.485 18.235 -4.584 1.00 0.00 N ATOM 668 CA ARG A 41 15.107 19.550 -5.087 1.00 0.00 C ATOM 669 C ARG A 41 13.648 19.563 -5.532 1.00 0.00 C ATOM 670 O ARG A 41 12.939 20.551 -5.343 1.00 0.00 O ATOM 671 CB ARG A 41 16.011 19.953 -6.253 1.00 0.00 C ATOM 672 CG ARG A 41 17.270 20.689 -5.823 1.00 0.00 C ATOM 673 CD ARG A 41 18.260 20.816 -6.970 1.00 0.00 C ATOM 674 NE ARG A 41 18.458 22.206 -7.370 1.00 0.00 N ATOM 675 CZ ARG A 41 18.971 22.568 -8.541 1.00 0.00 C ATOM 676 NH1 ARG A 41 19.336 21.646 -9.422 1.00 0.00 N ATOM 677 NH2 ARG A 41 19.120 23.854 -8.833 1.00 0.00 N ATOM 0 H ARG A 41 16.300 17.827 -5.042 1.00 0.00 H new ATOM 0 HA ARG A 41 15.228 20.270 -4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.295 19.058 -6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.446 20.586 -6.937 1.00 0.00 H new ATOM 0 HG2 ARG A 41 17.006 21.681 -5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.738 20.158 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.216 20.384 -6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.902 20.241 -7.824 1.00 0.00 H new ATOM 0 HE ARG A 41 18.188 22.939 -6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.223 20.657 -9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.730 21.926 -10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.841 24.566 -8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.514 24.130 -9.732 1.00 0.00 H new ATOM 691 N ALA A 42 13.206 18.459 -6.125 1.00 0.00 N ATOM 692 CA ALA A 42 11.832 18.342 -6.597 1.00 0.00 C ATOM 693 C ALA A 42 10.852 18.309 -5.428 1.00 0.00 C ATOM 694 O ALA A 42 9.879 19.063 -5.399 1.00 0.00 O ATOM 695 CB ALA A 42 11.672 17.098 -7.458 1.00 0.00 C ATOM 0 H ALA A 42 13.780 17.632 -6.290 1.00 0.00 H new ATOM 0 HA ALA A 42 11.606 19.220 -7.203 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.641 17.024 -7.803 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.339 17.163 -8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.922 16.214 -6.871 1.00 0.00 H new ATOM 701 N LEU A 43 11.114 17.429 -4.468 1.00 0.00 N ATOM 702 CA LEU A 43 10.255 17.296 -3.297 1.00 0.00 C ATOM 703 C LEU A 43 10.220 18.594 -2.496 1.00 0.00 C ATOM 704 O LEU A 43 9.155 19.054 -2.085 1.00 0.00 O ATOM 705 CB LEU A 43 10.742 16.150 -2.409 1.00 0.00 C ATOM 706 CG LEU A 43 11.093 14.847 -3.129 1.00 0.00 C ATOM 707 CD1 LEU A 43 12.354 14.235 -2.539 1.00 0.00 C ATOM 708 CD2 LEU A 43 9.934 13.865 -3.050 1.00 0.00 C ATOM 0 H LEU A 43 11.915 16.797 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 43 9.245 17.076 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.622 16.489 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.970 15.937 -1.669 1.00 0.00 H new ATOM 0 HG LEU A 43 11.280 15.073 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.589 13.309 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.183 14.934 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.195 14.023 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.202 12.944 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.715 13.644 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.054 14.303 -3.520 1.00 0.00 H new ATOM 720 N TYR A 44 11.392 19.182 -2.282 1.00 0.00 N ATOM 721 CA TYR A 44 11.496 20.428 -1.531 1.00 0.00 C ATOM 722 C TYR A 44 10.712 21.543 -2.215 1.00 0.00 C ATOM 723 O TYR A 44 9.829 22.155 -1.614 1.00 0.00 O ATOM 724 CB TYR A 44 12.962 20.837 -1.383 1.00 0.00 C ATOM 725 CG TYR A 44 13.712 20.036 -0.342 1.00 0.00 C ATOM 726 CD1 TYR A 44 13.129 18.932 0.266 1.00 0.00 C ATOM 727 CD2 TYR A 44 15.005 20.383 0.031 1.00 0.00 C ATOM 728 CE1 TYR A 44 13.810 18.198 1.218 1.00 0.00 C ATOM 729 CE2 TYR A 44 15.694 19.654 0.981 1.00 0.00 C ATOM 730 CZ TYR A 44 15.093 18.563 1.571 1.00 0.00 C ATOM 731 OH TYR A 44 15.775 17.833 2.518 1.00 0.00 O ATOM 0 H TYR A 44 12.283 18.816 -2.618 1.00 0.00 H new ATOM 0 HA TYR A 44 11.070 20.263 -0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.461 20.724 -2.345 1.00 0.00 H new ATOM 0 HB3 TYR A 44 13.011 21.894 -1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.126 18.642 -0.010 1.00 0.00 H new ATOM 0 HD2 TYR A 44 15.479 21.237 -0.430 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.341 17.344 1.683 1.00 0.00 H new ATOM 0 HE2 TYR A 44 16.698 19.937 1.260 1.00 0.00 H new ATOM 0 HH TYR A 44 15.979 18.405 3.288 1.00 0.00 H new ATOM 741 N ARG A 45 11.041 21.801 -3.477 1.00 0.00 N ATOM 742 CA ARG A 45 10.369 22.843 -4.244 1.00 0.00 C ATOM 743 C ARG A 45 8.887 22.522 -4.414 1.00 0.00 C ATOM 744 O ARG A 45 8.066 23.419 -4.605 1.00 0.00 O ATOM 745 CB ARG A 45 11.028 23.003 -5.615 1.00 0.00 C ATOM 746 CG ARG A 45 11.045 24.436 -6.119 1.00 0.00 C ATOM 747 CD ARG A 45 10.433 24.546 -7.507 1.00 0.00 C ATOM 748 NE ARG A 45 9.018 24.184 -7.511 1.00 0.00 N ATOM 749 CZ ARG A 45 8.173 24.535 -8.474 1.00 0.00 C ATOM 750 NH1 ARG A 45 8.598 25.252 -9.505 1.00 0.00 N ATOM 751 NH2 ARG A 45 6.899 24.168 -8.407 1.00 0.00 N ATOM 0 H ARG A 45 11.769 21.303 -3.990 1.00 0.00 H new ATOM 0 HA ARG A 45 10.460 23.780 -3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.052 22.633 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.501 22.379 -6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.495 25.073 -5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 45 12.071 24.802 -6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.547 25.566 -7.874 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.975 23.897 -8.195 1.00 0.00 H new ATOM 0 HE ARG A 45 8.659 23.632 -6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.576 25.536 -9.560 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.947 25.520 -10.243 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.568 23.616 -7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.251 24.438 -9.147 1.00 0.00 H new ATOM 765 N GLU A 46 8.553 21.237 -4.346 1.00 0.00 N ATOM 766 CA GLU A 46 7.170 20.799 -4.494 1.00 0.00 C ATOM 767 C GLU A 46 6.321 21.267 -3.315 1.00 0.00 C ATOM 768 O GLU A 46 5.375 22.035 -3.485 1.00 0.00 O ATOM 769 CB GLU A 46 7.105 19.274 -4.611 1.00 0.00 C ATOM 770 CG GLU A 46 5.689 18.724 -4.610 1.00 0.00 C ATOM 771 CD GLU A 46 5.556 17.454 -5.427 1.00 0.00 C ATOM 772 OE1 GLU A 46 6.240 17.341 -6.465 1.00 0.00 O ATOM 773 OE2 GLU A 46 4.768 16.571 -5.026 1.00 0.00 O ATOM 0 H GLU A 46 9.221 20.482 -4.190 1.00 0.00 H new ATOM 0 HA GLU A 46 6.770 21.244 -5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.605 18.967 -5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.659 18.830 -3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.381 18.525 -3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.010 19.479 -5.006 1.00 0.00 H new ATOM 780 N TYR A 47 6.667 20.797 -2.122 1.00 0.00 N ATOM 781 CA TYR A 47 5.936 21.164 -0.915 1.00 0.00 C ATOM 782 C TYR A 47 6.130 22.641 -0.589 1.00 0.00 C ATOM 783 O TYR A 47 5.282 23.264 0.050 1.00 0.00 O ATOM 784 CB TYR A 47 6.394 20.305 0.265 1.00 0.00 C ATOM 785 CG TYR A 47 5.403 20.266 1.406 1.00 0.00 C ATOM 786 CD1 TYR A 47 4.342 19.370 1.401 1.00 0.00 C ATOM 787 CD2 TYR A 47 5.528 21.127 2.490 1.00 0.00 C ATOM 788 CE1 TYR A 47 3.434 19.331 2.441 1.00 0.00 C ATOM 789 CE2 TYR A 47 4.625 21.094 3.535 1.00 0.00 C ATOM 790 CZ TYR A 47 3.580 20.195 3.506 1.00 0.00 C ATOM 791 OH TYR A 47 2.678 20.161 4.545 1.00 0.00 O ATOM 0 H TYR A 47 7.449 20.161 -1.965 1.00 0.00 H new ATOM 0 HA TYR A 47 4.876 20.987 -1.095 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.573 19.288 -0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.346 20.687 0.634 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.225 18.692 0.569 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.345 21.833 2.516 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.614 18.628 2.420 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.737 21.769 4.371 1.00 0.00 H new ATOM 0 HH TYR A 47 2.925 20.833 5.215 1.00 0.00 H new ATOM 801 N ARG A 48 7.253 23.196 -1.033 1.00 0.00 N ATOM 802 CA ARG A 48 7.560 24.600 -0.789 1.00 0.00 C ATOM 803 C ARG A 48 6.689 25.506 -1.654 1.00 0.00 C ATOM 804 O ARG A 48 6.210 26.545 -1.198 1.00 0.00 O ATOM 805 CB ARG A 48 9.038 24.877 -1.069 1.00 0.00 C ATOM 806 CG ARG A 48 9.410 26.348 -0.981 1.00 0.00 C ATOM 807 CD ARG A 48 9.947 26.868 -2.305 1.00 0.00 C ATOM 808 NE ARG A 48 11.104 26.104 -2.764 1.00 0.00 N ATOM 809 CZ ARG A 48 11.967 26.550 -3.670 1.00 0.00 C ATOM 810 NH1 ARG A 48 11.805 27.750 -4.211 1.00 0.00 N ATOM 811 NH2 ARG A 48 12.995 25.795 -4.037 1.00 0.00 N ATOM 0 H ARG A 48 7.965 22.695 -1.564 1.00 0.00 H new ATOM 0 HA ARG A 48 7.349 24.815 0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.645 24.315 -0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.286 24.507 -2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 48 8.535 26.929 -0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.160 26.489 -0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.160 26.822 -3.058 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.225 27.917 -2.197 1.00 0.00 H new ATOM 0 HE ARG A 48 11.258 25.177 -2.367 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.016 28.333 -3.932 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.469 28.090 -4.906 1.00 0.00 H new ATOM 0 HH21 ARG A 48 13.123 24.871 -3.623 1.00 0.00 H new ATOM 0 HH22 ARG A 48 13.657 26.138 -4.733 1.00 0.00 H new ATOM 825 N THR A 49 6.487 25.105 -2.905 1.00 0.00 N ATOM 826 CA THR A 49 5.676 25.881 -3.835 1.00 0.00 C ATOM 827 C THR A 49 4.192 25.746 -3.513 1.00 0.00 C ATOM 828 O THR A 49 3.434 26.712 -3.615 1.00 0.00 O ATOM 829 CB THR A 49 5.915 25.441 -5.291 1.00 0.00 C ATOM 830 OG1 THR A 49 7.283 25.666 -5.652 1.00 0.00 O ATOM 831 CG2 THR A 49 5.003 26.201 -6.243 1.00 0.00 C ATOM 0 H THR A 49 6.874 24.247 -3.298 1.00 0.00 H new ATOM 0 HA THR A 49 5.977 26.923 -3.724 1.00 0.00 H new ATOM 0 HB THR A 49 5.689 24.377 -5.368 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.866 25.130 -5.075 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.190 25.873 -7.266 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.962 26.005 -5.984 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.202 27.270 -6.162 1.00 0.00 H new ATOM 839 N LEU A 50 3.782 24.544 -3.123 1.00 0.00 N ATOM 840 CA LEU A 50 2.387 24.284 -2.785 1.00 0.00 C ATOM 841 C LEU A 50 2.017 24.939 -1.458 1.00 0.00 C ATOM 842 O LEU A 50 0.915 25.464 -1.299 1.00 0.00 O ATOM 843 CB LEU A 50 2.133 22.777 -2.711 1.00 0.00 C ATOM 844 CG LEU A 50 1.502 22.141 -3.951 1.00 0.00 C ATOM 845 CD1 LEU A 50 2.579 21.679 -4.920 1.00 0.00 C ATOM 846 CD2 LEU A 50 0.603 20.979 -3.556 1.00 0.00 C ATOM 0 H LEU A 50 4.396 23.734 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 50 1.762 24.714 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.082 22.278 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.486 22.579 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 50 0.891 22.893 -4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.112 21.229 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.182 22.533 -5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.217 20.943 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.163 20.539 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.191 20.225 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.190 21.339 -2.901 1.00 0.00 H new ATOM 858 N LYS A 51 2.946 24.907 -0.509 1.00 0.00 N ATOM 859 CA LYS A 51 2.720 25.500 0.804 1.00 0.00 C ATOM 860 C LYS A 51 2.777 27.023 0.730 1.00 0.00 C ATOM 861 O LYS A 51 1.946 27.714 1.319 1.00 0.00 O ATOM 862 CB LYS A 51 3.759 24.988 1.803 1.00 0.00 C ATOM 863 CG LYS A 51 3.540 25.490 3.220 1.00 0.00 C ATOM 864 CD LYS A 51 4.834 25.497 4.016 1.00 0.00 C ATOM 865 CE LYS A 51 4.594 25.130 5.473 1.00 0.00 C ATOM 866 NZ LYS A 51 4.113 26.295 6.266 1.00 0.00 N ATOM 0 H LYS A 51 3.863 24.476 -0.625 1.00 0.00 H new ATOM 0 HA LYS A 51 1.726 25.207 1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.742 23.898 1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.752 25.290 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.125 26.497 3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.807 24.858 3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.538 24.793 3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.292 26.484 3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.861 24.325 5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.518 24.750 5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.961 26.004 7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.823 27.054 6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.218 26.642 5.866 1.00 0.00 H new ATOM 880 N ARG A 52 3.762 27.539 0.001 1.00 0.00 N ATOM 881 CA ARG A 52 3.926 28.979 -0.150 1.00 0.00 C ATOM 882 C ARG A 52 2.774 29.577 -0.951 1.00 0.00 C ATOM 883 O ARG A 52 2.251 30.639 -0.611 1.00 0.00 O ATOM 884 CB ARG A 52 5.257 29.293 -0.837 1.00 0.00 C ATOM 885 CG ARG A 52 6.464 29.139 0.074 1.00 0.00 C ATOM 886 CD ARG A 52 6.401 30.100 1.250 1.00 0.00 C ATOM 887 NE ARG A 52 5.815 29.478 2.434 1.00 0.00 N ATOM 888 CZ ARG A 52 5.976 29.947 3.667 1.00 0.00 C ATOM 889 NH1 ARG A 52 6.702 31.037 3.875 1.00 0.00 N ATOM 890 NH2 ARG A 52 5.411 29.326 4.694 1.00 0.00 N ATOM 0 H ARG A 52 4.458 26.981 -0.494 1.00 0.00 H new ATOM 0 HA ARG A 52 3.924 29.426 0.844 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.376 28.635 -1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.228 30.314 -1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.515 28.114 0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.376 29.318 -0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.406 30.452 1.485 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.814 30.975 0.972 1.00 0.00 H new ATOM 0 HE ARG A 52 5.251 28.637 2.308 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.138 31.517 3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.824 31.395 4.822 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.852 28.487 4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.536 29.687 5.640 1.00 0.00 H new ATOM 904 N THR A 53 2.383 28.888 -2.019 1.00 0.00 N ATOM 905 CA THR A 53 1.294 29.351 -2.871 1.00 0.00 C ATOM 906 C THR A 53 -0.049 29.227 -2.161 1.00 0.00 C ATOM 907 O THR A 53 -0.789 30.204 -2.035 1.00 0.00 O ATOM 908 CB THR A 53 1.239 28.561 -4.192 1.00 0.00 C ATOM 909 OG1 THR A 53 2.460 28.737 -4.919 1.00 0.00 O ATOM 910 CG2 THR A 53 0.065 29.015 -5.045 1.00 0.00 C ATOM 0 H THR A 53 2.804 28.007 -2.314 1.00 0.00 H new ATOM 0 HA THR A 53 1.490 30.400 -3.092 1.00 0.00 H new ATOM 0 HB THR A 53 1.108 27.506 -3.954 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.174 28.221 -4.489 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.047 28.443 -5.973 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.865 28.853 -4.500 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.171 30.075 -5.275 1.00 0.00 H new