USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -112:sc= -0.19 (180deg=-2.6!) USER MOD Single : A 1 MET N :NH3+ 139:sc= -0.131 (180deg=-0.963) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 156:sc= 0.228 USER MOD Single : A 9 CYS SG : rot 126:sc= 0.96 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 74:sc= 0.0759 USER MOD Single : A 13 TYR OH : rot -105:sc= 0.236 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 84:sc= 0.69 USER MOD Single : A 32 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.00033) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 45:sc= -0.624 USER MOD Single : A 42 CYS SG : rot 9:sc= 0.502 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -125:sc= -1.55 (180deg=-2.57!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.896 -0.912 -0.360 1.00 0.00 N ATOM 2 CA MET A 1 1.705 -0.838 -1.571 1.00 0.00 C ATOM 3 C MET A 1 2.954 -1.704 -1.444 1.00 0.00 C ATOM 4 O MET A 1 3.446 -1.946 -0.342 1.00 0.00 O ATOM 5 CB MET A 1 2.102 0.612 -1.856 1.00 0.00 C ATOM 6 CG MET A 1 2.861 1.270 -0.716 1.00 0.00 C ATOM 7 SD MET A 1 4.648 1.094 -0.879 1.00 0.00 S ATOM 8 CE MET A 1 5.101 2.734 -1.439 1.00 0.00 C ATOM 0 H1 MET A 1 0.533 0.034 -0.127 1.00 0.00 H new ATOM 0 H2 MET A 1 0.098 -1.560 -0.515 1.00 0.00 H new ATOM 0 H3 MET A 1 1.479 -1.263 0.426 1.00 0.00 H new ATOM 0 HA MET A 1 1.107 -1.214 -2.401 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.717 0.641 -2.756 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.203 1.192 -2.065 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.606 2.329 -0.678 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.541 0.831 0.229 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.453 2.682 -2.469 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.232 3.390 -1.385 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.894 3.129 -0.804 1.00 0.00 H new ATOM 18 N THR A 2 3.465 -2.168 -2.581 1.00 0.00 N ATOM 19 CA THR A 2 4.656 -3.008 -2.597 1.00 0.00 C ATOM 20 C THR A 2 5.918 -2.169 -2.761 1.00 0.00 C ATOM 21 O THR A 2 5.931 -1.189 -3.505 1.00 0.00 O ATOM 22 CB THR A 2 4.594 -4.049 -3.730 1.00 0.00 C ATOM 23 OG1 THR A 2 3.462 -4.907 -3.546 1.00 0.00 O ATOM 24 CG2 THR A 2 5.867 -4.881 -3.771 1.00 0.00 C ATOM 0 H THR A 2 3.072 -1.976 -3.502 1.00 0.00 H new ATOM 0 HA THR A 2 4.690 -3.527 -1.639 1.00 0.00 H new ATOM 0 HB THR A 2 4.496 -3.518 -4.677 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.429 -5.565 -4.272 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.800 -5.609 -4.579 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.723 -4.228 -3.941 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.991 -5.403 -2.822 1.00 0.00 H new ATOM 32 N ALA A 3 6.979 -2.561 -2.063 1.00 0.00 N ATOM 33 CA ALA A 3 8.247 -1.847 -2.134 1.00 0.00 C ATOM 34 C ALA A 3 9.417 -2.773 -1.821 1.00 0.00 C ATOM 35 O ALA A 3 9.538 -3.282 -0.706 1.00 0.00 O ATOM 36 CB ALA A 3 8.239 -0.661 -1.180 1.00 0.00 C ATOM 0 H ALA A 3 6.985 -3.370 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 3 8.372 -1.479 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.192 -0.137 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.432 0.019 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.087 -1.015 -0.160 1.00 0.00 H new ATOM 42 N TYR A 4 10.277 -2.988 -2.811 1.00 0.00 N ATOM 43 CA TYR A 4 11.436 -3.855 -2.641 1.00 0.00 C ATOM 44 C TYR A 4 12.725 -3.116 -2.988 1.00 0.00 C ATOM 45 O TYR A 4 12.758 -2.302 -3.911 1.00 0.00 O ATOM 46 CB TYR A 4 11.299 -5.102 -3.516 1.00 0.00 C ATOM 47 CG TYR A 4 10.432 -6.179 -2.904 1.00 0.00 C ATOM 48 CD1 TYR A 4 9.046 -6.116 -2.992 1.00 0.00 C ATOM 49 CD2 TYR A 4 10.997 -7.258 -2.237 1.00 0.00 C ATOM 50 CE1 TYR A 4 8.250 -7.098 -2.433 1.00 0.00 C ATOM 51 CE2 TYR A 4 10.209 -8.245 -1.676 1.00 0.00 C ATOM 52 CZ TYR A 4 8.836 -8.160 -1.777 1.00 0.00 C ATOM 53 OH TYR A 4 8.047 -9.140 -1.219 1.00 0.00 O ATOM 0 H TYR A 4 10.193 -2.574 -3.739 1.00 0.00 H new ATOM 0 HA TYR A 4 11.482 -4.157 -1.595 1.00 0.00 H new ATOM 0 HB2 TYR A 4 10.880 -4.815 -4.480 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.291 -5.511 -3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.584 -5.286 -3.506 1.00 0.00 H new ATOM 0 HD2 TYR A 4 12.072 -7.327 -2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.175 -7.034 -2.510 1.00 0.00 H new ATOM 0 HE2 TYR A 4 10.665 -9.078 -1.162 1.00 0.00 H new ATOM 0 HH TYR A 4 8.616 -9.816 -0.796 1.00 0.00 H new ATOM 63 N ARG A 5 13.786 -3.408 -2.242 1.00 0.00 N ATOM 64 CA ARG A 5 15.078 -2.772 -2.470 1.00 0.00 C ATOM 65 C ARG A 5 16.218 -3.755 -2.225 1.00 0.00 C ATOM 66 O ARG A 5 16.496 -4.128 -1.084 1.00 0.00 O ATOM 67 CB ARG A 5 15.237 -1.553 -1.559 1.00 0.00 C ATOM 68 CG ARG A 5 16.559 -0.825 -1.741 1.00 0.00 C ATOM 69 CD ARG A 5 17.595 -1.290 -0.730 1.00 0.00 C ATOM 70 NE ARG A 5 18.358 -0.175 -0.175 1.00 0.00 N ATOM 71 CZ ARG A 5 19.238 0.532 -0.874 1.00 0.00 C ATOM 72 NH1 ARG A 5 19.466 0.242 -2.148 1.00 0.00 N ATOM 73 NH2 ARG A 5 19.893 1.533 -0.299 1.00 0.00 N ATOM 0 H ARG A 5 13.776 -4.080 -1.475 1.00 0.00 H new ATOM 0 HA ARG A 5 15.118 -2.448 -3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.420 -0.858 -1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.147 -1.872 -0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.933 -0.994 -2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.402 0.248 -1.635 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.098 -1.826 0.078 1.00 0.00 H new ATOM 0 HD3 ARG A 5 18.277 -1.994 -1.207 1.00 0.00 H new ATOM 0 HE ARG A 5 18.207 0.074 0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.965 -0.526 -2.594 1.00 0.00 H new ATOM 0 HH12 ARG A 5 20.143 0.787 -2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 5 19.720 1.759 0.680 1.00 0.00 H new ATOM 0 HH22 ARG A 5 20.569 2.076 -0.837 1.00 0.00 H new ATOM 87 N CYS A 6 16.875 -4.171 -3.302 1.00 0.00 N ATOM 88 CA CYS A 6 17.985 -5.113 -3.205 1.00 0.00 C ATOM 89 C CYS A 6 18.955 -4.932 -4.368 1.00 0.00 C ATOM 90 O CYS A 6 18.832 -5.569 -5.415 1.00 0.00 O ATOM 91 CB CYS A 6 17.461 -6.550 -3.180 1.00 0.00 C ATOM 92 SG CYS A 6 17.923 -7.477 -1.698 1.00 0.00 S ATOM 0 H CYS A 6 16.659 -3.871 -4.253 1.00 0.00 H new ATOM 0 HA CYS A 6 18.519 -4.913 -2.276 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.374 -6.531 -3.260 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.836 -7.078 -4.057 1.00 0.00 H new ATOM 0 HG CYS A 6 17.069 -8.437 -1.503 1.00 0.00 H new ATOM 98 N PRO A 7 19.941 -4.043 -4.184 1.00 0.00 N ATOM 99 CA PRO A 7 20.951 -3.757 -5.207 1.00 0.00 C ATOM 100 C PRO A 7 21.909 -4.923 -5.418 1.00 0.00 C ATOM 101 O PRO A 7 22.720 -4.914 -6.345 1.00 0.00 O ATOM 102 CB PRO A 7 21.698 -2.547 -4.641 1.00 0.00 C ATOM 103 CG PRO A 7 21.509 -2.641 -3.166 1.00 0.00 C ATOM 104 CD PRO A 7 20.148 -3.248 -2.961 1.00 0.00 C ATOM 0 HA PRO A 7 20.501 -3.579 -6.184 1.00 0.00 H new ATOM 0 HB2 PRO A 7 22.755 -2.574 -4.907 1.00 0.00 H new ATOM 0 HB3 PRO A 7 21.294 -1.614 -5.033 1.00 0.00 H new ATOM 0 HG2 PRO A 7 22.284 -3.258 -2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 7 21.572 -1.657 -2.701 1.00 0.00 H new ATOM 0 HD2 PRO A 7 20.116 -3.871 -2.067 1.00 0.00 H new ATOM 0 HD3 PRO A 7 19.380 -2.483 -2.844 1.00 0.00 H new ATOM 112 N VAL A 8 21.812 -5.928 -4.553 1.00 0.00 N ATOM 113 CA VAL A 8 22.669 -7.103 -4.646 1.00 0.00 C ATOM 114 C VAL A 8 22.430 -7.856 -5.950 1.00 0.00 C ATOM 115 O VAL A 8 23.280 -8.627 -6.398 1.00 0.00 O ATOM 116 CB VAL A 8 22.438 -8.061 -3.462 1.00 0.00 C ATOM 117 CG1 VAL A 8 21.051 -8.681 -3.540 1.00 0.00 C ATOM 118 CG2 VAL A 8 23.512 -9.139 -3.432 1.00 0.00 C ATOM 0 H VAL A 8 21.148 -5.951 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 8 23.699 -6.747 -4.620 1.00 0.00 H new ATOM 0 HB VAL A 8 22.503 -7.489 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 8 20.906 -9.355 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 8 20.298 -7.893 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.954 -9.240 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 8 23.334 -9.807 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 8 23.481 -9.709 -4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 8 24.492 -8.674 -3.325 1.00 0.00 H new ATOM 128 N CYS A 9 21.269 -7.629 -6.553 1.00 0.00 N ATOM 129 CA CYS A 9 20.917 -8.287 -7.807 1.00 0.00 C ATOM 130 C CYS A 9 20.690 -7.262 -8.913 1.00 0.00 C ATOM 131 O CYS A 9 21.283 -7.352 -9.988 1.00 0.00 O ATOM 132 CB CYS A 9 19.663 -9.143 -7.623 1.00 0.00 C ATOM 133 SG CYS A 9 18.468 -8.460 -6.450 1.00 0.00 S ATOM 0 H CYS A 9 20.555 -6.995 -6.195 1.00 0.00 H new ATOM 0 HA CYS A 9 21.748 -8.930 -8.097 1.00 0.00 H new ATOM 0 HB2 CYS A 9 19.176 -9.267 -8.590 1.00 0.00 H new ATOM 0 HB3 CYS A 9 19.960 -10.136 -7.286 1.00 0.00 H new ATOM 0 HG CYS A 9 17.306 -8.358 -7.024 1.00 0.00 H new ATOM 139 N ASP A 10 19.826 -6.289 -8.643 1.00 0.00 N ATOM 140 CA ASP A 10 19.520 -5.247 -9.617 1.00 0.00 C ATOM 141 C ASP A 10 19.021 -3.984 -8.921 1.00 0.00 C ATOM 142 O ASP A 10 18.593 -4.026 -7.768 1.00 0.00 O ATOM 143 CB ASP A 10 18.472 -5.743 -10.614 1.00 0.00 C ATOM 144 CG ASP A 10 17.111 -5.940 -9.974 1.00 0.00 C ATOM 145 OD1 ASP A 10 16.350 -4.955 -9.884 1.00 0.00 O ATOM 146 OD2 ASP A 10 16.809 -7.080 -9.562 1.00 0.00 O ATOM 0 H ASP A 10 19.326 -6.200 -7.759 1.00 0.00 H new ATOM 0 HA ASP A 10 20.436 -5.006 -10.156 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.386 -5.028 -11.432 1.00 0.00 H new ATOM 0 HB3 ASP A 10 18.806 -6.685 -11.049 1.00 0.00 H new ATOM 151 N TYR A 11 19.081 -2.862 -9.630 1.00 0.00 N ATOM 152 CA TYR A 11 18.639 -1.586 -9.080 1.00 0.00 C ATOM 153 C TYR A 11 17.271 -1.723 -8.417 1.00 0.00 C ATOM 154 O TYR A 11 16.501 -2.630 -8.735 1.00 0.00 O ATOM 155 CB TYR A 11 18.581 -0.525 -10.180 1.00 0.00 C ATOM 156 CG TYR A 11 19.937 -0.157 -10.738 1.00 0.00 C ATOM 157 CD1 TYR A 11 20.730 0.798 -10.114 1.00 0.00 C ATOM 158 CD2 TYR A 11 20.424 -0.762 -11.890 1.00 0.00 C ATOM 159 CE1 TYR A 11 21.970 1.139 -10.620 1.00 0.00 C ATOM 160 CE2 TYR A 11 21.663 -0.429 -12.402 1.00 0.00 C ATOM 161 CZ TYR A 11 22.432 0.522 -11.764 1.00 0.00 C ATOM 162 OH TYR A 11 23.666 0.858 -12.272 1.00 0.00 O ATOM 0 H TYR A 11 19.431 -2.810 -10.587 1.00 0.00 H new ATOM 0 HA TYR A 11 19.360 -1.276 -8.324 1.00 0.00 H new ATOM 0 HB2 TYR A 11 17.950 -0.889 -10.991 1.00 0.00 H new ATOM 0 HB3 TYR A 11 18.105 0.372 -9.783 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.371 1.282 -9.218 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.824 -1.505 -12.394 1.00 0.00 H new ATOM 0 HE1 TYR A 11 22.574 1.884 -10.123 1.00 0.00 H new ATOM 0 HE2 TYR A 11 22.028 -0.911 -13.297 1.00 0.00 H new ATOM 0 HH TYR A 11 23.842 0.332 -13.080 1.00 0.00 H new ATOM 172 N THR A 12 16.975 -0.814 -7.493 1.00 0.00 N ATOM 173 CA THR A 12 15.702 -0.832 -6.785 1.00 0.00 C ATOM 174 C THR A 12 14.801 0.310 -7.242 1.00 0.00 C ATOM 175 O THR A 12 15.260 1.436 -7.435 1.00 0.00 O ATOM 176 CB THR A 12 15.905 -0.731 -5.261 1.00 0.00 C ATOM 177 OG1 THR A 12 14.649 -0.500 -4.613 1.00 0.00 O ATOM 178 CG2 THR A 12 16.873 0.392 -4.918 1.00 0.00 C ATOM 0 H THR A 12 17.600 -0.056 -7.218 1.00 0.00 H new ATOM 0 HA THR A 12 15.225 -1.784 -7.019 1.00 0.00 H new ATOM 0 HB THR A 12 16.326 -1.673 -4.909 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.120 -1.325 -4.622 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.001 0.445 -3.837 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.837 0.198 -5.388 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.475 1.339 -5.283 1.00 0.00 H new ATOM 186 N TYR A 13 13.518 0.012 -7.414 1.00 0.00 N ATOM 187 CA TYR A 13 12.553 1.015 -7.851 1.00 0.00 C ATOM 188 C TYR A 13 11.175 0.740 -7.257 1.00 0.00 C ATOM 189 O TYR A 13 10.448 -0.136 -7.727 1.00 0.00 O ATOM 190 CB TYR A 13 12.468 1.038 -9.378 1.00 0.00 C ATOM 191 CG TYR A 13 13.806 1.219 -10.058 1.00 0.00 C ATOM 192 CD1 TYR A 13 14.445 2.453 -10.062 1.00 0.00 C ATOM 193 CD2 TYR A 13 14.434 0.154 -10.694 1.00 0.00 C ATOM 194 CE1 TYR A 13 15.667 2.622 -10.682 1.00 0.00 C ATOM 195 CE2 TYR A 13 15.657 0.314 -11.315 1.00 0.00 C ATOM 196 CZ TYR A 13 16.270 1.550 -11.307 1.00 0.00 C ATOM 197 OH TYR A 13 17.488 1.714 -11.924 1.00 0.00 O ATOM 0 H TYR A 13 13.122 -0.915 -7.258 1.00 0.00 H new ATOM 0 HA TYR A 13 12.893 1.989 -7.498 1.00 0.00 H new ATOM 0 HB2 TYR A 13 12.018 0.107 -9.722 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.803 1.845 -9.684 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.978 3.294 -9.572 1.00 0.00 H new ATOM 0 HD2 TYR A 13 13.957 -0.815 -10.703 1.00 0.00 H new ATOM 0 HE1 TYR A 13 16.149 3.589 -10.678 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.131 -0.524 -11.804 1.00 0.00 H new ATOM 0 HH TYR A 13 17.362 1.735 -12.896 1.00 0.00 H new ATOM 207 N ASP A 14 10.823 1.495 -6.223 1.00 0.00 N ATOM 208 CA ASP A 14 9.532 1.335 -5.564 1.00 0.00 C ATOM 209 C ASP A 14 8.399 1.820 -6.464 1.00 0.00 C ATOM 210 O ASP A 14 8.535 2.826 -7.160 1.00 0.00 O ATOM 211 CB ASP A 14 9.512 2.101 -4.240 1.00 0.00 C ATOM 212 CG ASP A 14 8.275 1.802 -3.417 1.00 0.00 C ATOM 213 OD1 ASP A 14 7.600 0.793 -3.707 1.00 0.00 O ATOM 214 OD2 ASP A 14 7.983 2.577 -2.482 1.00 0.00 O ATOM 0 H ASP A 14 11.413 2.224 -5.823 1.00 0.00 H new ATOM 0 HA ASP A 14 9.384 0.274 -5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 14 10.400 1.845 -3.662 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.561 3.171 -4.442 1.00 0.00 H new ATOM 219 N GLU A 15 7.284 1.098 -6.444 1.00 0.00 N ATOM 220 CA GLU A 15 6.129 1.455 -7.260 1.00 0.00 C ATOM 221 C GLU A 15 5.731 2.910 -7.033 1.00 0.00 C ATOM 222 O GLU A 15 5.555 3.672 -7.983 1.00 0.00 O ATOM 223 CB GLU A 15 4.948 0.536 -6.941 1.00 0.00 C ATOM 224 CG GLU A 15 5.211 -0.927 -7.258 1.00 0.00 C ATOM 225 CD GLU A 15 3.934 -1.721 -7.450 1.00 0.00 C ATOM 226 OE1 GLU A 15 3.141 -1.362 -8.345 1.00 0.00 O ATOM 227 OE2 GLU A 15 3.726 -2.701 -6.704 1.00 0.00 O ATOM 0 H GLU A 15 7.155 0.263 -5.872 1.00 0.00 H new ATOM 0 HA GLU A 15 6.404 1.331 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.700 0.631 -5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.076 0.870 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.817 -0.996 -8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.792 -1.371 -6.450 1.00 0.00 H new ATOM 234 N GLY A 16 5.591 3.289 -5.766 1.00 0.00 N ATOM 235 CA GLY A 16 5.215 4.651 -5.436 1.00 0.00 C ATOM 236 C GLY A 16 6.216 5.669 -5.946 1.00 0.00 C ATOM 237 O GLY A 16 5.910 6.857 -6.043 1.00 0.00 O ATOM 0 H GLY A 16 5.731 2.677 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.234 4.867 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.123 4.747 -4.354 1.00 0.00 H new ATOM 241 N LYS A 17 7.417 5.203 -6.272 1.00 0.00 N ATOM 242 CA LYS A 17 8.467 6.081 -6.774 1.00 0.00 C ATOM 243 C LYS A 17 8.340 6.273 -8.282 1.00 0.00 C ATOM 244 O LYS A 17 8.386 7.397 -8.780 1.00 0.00 O ATOM 245 CB LYS A 17 9.845 5.506 -6.437 1.00 0.00 C ATOM 246 CG LYS A 17 10.835 6.547 -5.944 1.00 0.00 C ATOM 247 CD LYS A 17 11.167 6.349 -4.475 1.00 0.00 C ATOM 248 CE LYS A 17 12.293 5.343 -4.288 1.00 0.00 C ATOM 249 NZ LYS A 17 12.239 4.693 -2.950 1.00 0.00 N ATOM 0 H LYS A 17 7.687 4.222 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 17 8.357 7.052 -6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.731 4.735 -5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.253 5.020 -7.323 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.749 6.490 -6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.420 7.544 -6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.454 7.304 -4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.279 6.006 -3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.232 4.581 -5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.253 5.845 -4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.022 4.015 -2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.323 5.417 -2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.334 4.192 -2.844 1.00 0.00 H new ATOM 263 N GLY A 18 8.179 5.169 -9.004 1.00 0.00 N ATOM 264 CA GLY A 18 8.046 5.239 -10.448 1.00 0.00 C ATOM 265 C GLY A 18 9.266 4.701 -11.169 1.00 0.00 C ATOM 266 O GLY A 18 9.490 3.491 -11.205 1.00 0.00 O ATOM 0 H GLY A 18 8.138 4.227 -8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.167 4.674 -10.757 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.880 6.275 -10.745 1.00 0.00 H new ATOM 270 N ASP A 19 10.054 5.600 -11.746 1.00 0.00 N ATOM 271 CA ASP A 19 11.258 5.210 -12.470 1.00 0.00 C ATOM 272 C ASP A 19 10.908 4.357 -13.686 1.00 0.00 C ATOM 273 O ASP A 19 11.152 3.151 -13.720 1.00 0.00 O ATOM 274 CB ASP A 19 12.207 4.441 -11.549 1.00 0.00 C ATOM 275 CG ASP A 19 12.214 4.990 -10.136 1.00 0.00 C ATOM 276 OD1 ASP A 19 12.594 6.167 -9.959 1.00 0.00 O ATOM 277 OD2 ASP A 19 11.838 4.244 -9.208 1.00 0.00 O ATOM 0 H ASP A 19 9.881 6.605 -11.727 1.00 0.00 H new ATOM 0 HA ASP A 19 11.755 6.117 -12.815 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.915 3.391 -11.526 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.217 4.482 -11.957 1.00 0.00 H new ATOM 282 N PRO A 20 10.321 4.997 -14.708 1.00 0.00 N ATOM 283 CA PRO A 20 9.924 4.317 -15.945 1.00 0.00 C ATOM 284 C PRO A 20 11.124 3.882 -16.778 1.00 0.00 C ATOM 285 O PRO A 20 10.979 3.151 -17.758 1.00 0.00 O ATOM 286 CB PRO A 20 9.113 5.381 -16.690 1.00 0.00 C ATOM 287 CG PRO A 20 9.626 6.680 -16.172 1.00 0.00 C ATOM 288 CD PRO A 20 10.001 6.434 -14.736 1.00 0.00 C ATOM 0 HA PRO A 20 9.369 3.400 -15.746 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.252 5.302 -17.768 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.046 5.272 -16.498 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.488 7.017 -16.748 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.867 7.458 -16.249 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.854 7.042 -14.434 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.181 6.676 -14.060 1.00 0.00 H new ATOM 296 N ARG A 21 12.309 4.335 -16.382 1.00 0.00 N ATOM 297 CA ARG A 21 13.535 3.993 -17.094 1.00 0.00 C ATOM 298 C ARG A 21 13.662 2.481 -17.261 1.00 0.00 C ATOM 299 O ARG A 21 13.889 1.987 -18.364 1.00 0.00 O ATOM 300 CB ARG A 21 14.753 4.538 -16.346 1.00 0.00 C ATOM 301 CG ARG A 21 15.317 5.814 -16.951 1.00 0.00 C ATOM 302 CD ARG A 21 14.628 7.048 -16.390 1.00 0.00 C ATOM 303 NE ARG A 21 14.797 8.211 -17.257 1.00 0.00 N ATOM 304 CZ ARG A 21 14.340 9.422 -16.959 1.00 0.00 C ATOM 305 NH1 ARG A 21 13.690 9.628 -15.822 1.00 0.00 N ATOM 306 NH2 ARG A 21 14.534 10.431 -17.799 1.00 0.00 N ATOM 0 H ARG A 21 12.446 4.940 -15.572 1.00 0.00 H new ATOM 0 HA ARG A 21 13.491 4.449 -18.083 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.477 4.729 -15.309 1.00 0.00 H new ATOM 0 HB3 ARG A 21 15.532 3.776 -16.334 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.387 5.871 -16.751 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.196 5.789 -18.034 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.565 6.843 -16.262 1.00 0.00 H new ATOM 0 HD3 ARG A 21 15.031 7.271 -15.402 1.00 0.00 H new ATOM 0 HE ARG A 21 15.293 8.087 -18.140 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.540 8.855 -15.173 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.340 10.559 -15.596 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.034 10.277 -18.674 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.183 11.361 -17.569 1.00 0.00 H new ATOM 320 N GLU A 22 13.515 1.754 -16.157 1.00 0.00 N ATOM 321 CA GLU A 22 13.616 0.300 -16.182 1.00 0.00 C ATOM 322 C GLU A 22 12.412 -0.316 -16.889 1.00 0.00 C ATOM 323 O GLU A 22 12.401 -1.508 -17.196 1.00 0.00 O ATOM 324 CB GLU A 22 13.722 -0.251 -14.759 1.00 0.00 C ATOM 325 CG GLU A 22 15.088 -0.831 -14.431 1.00 0.00 C ATOM 326 CD GLU A 22 16.210 0.168 -14.636 1.00 0.00 C ATOM 327 OE1 GLU A 22 15.974 1.376 -14.425 1.00 0.00 O ATOM 328 OE2 GLU A 22 17.324 -0.258 -15.007 1.00 0.00 O ATOM 0 H GLU A 22 13.326 2.148 -15.236 1.00 0.00 H new ATOM 0 HA GLU A 22 14.517 0.033 -16.735 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.496 0.547 -14.052 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.966 -1.024 -14.620 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.095 -1.172 -13.396 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.267 -1.706 -15.056 1.00 0.00 H new ATOM 335 N GLY A 23 11.398 0.506 -17.144 1.00 0.00 N ATOM 336 CA GLY A 23 10.202 0.024 -17.811 1.00 0.00 C ATOM 337 C GLY A 23 9.095 -0.325 -16.837 1.00 0.00 C ATOM 338 O GLY A 23 8.226 -1.143 -17.140 1.00 0.00 O ATOM 0 H GLY A 23 11.383 1.496 -16.901 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.845 0.785 -18.504 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.450 -0.856 -18.404 1.00 0.00 H new ATOM 342 N PHE A 24 9.126 0.294 -15.661 1.00 0.00 N ATOM 343 CA PHE A 24 8.119 0.042 -14.638 1.00 0.00 C ATOM 344 C PHE A 24 7.700 1.341 -13.955 1.00 0.00 C ATOM 345 O PHE A 24 8.211 1.709 -12.897 1.00 0.00 O ATOM 346 CB PHE A 24 8.654 -0.944 -13.598 1.00 0.00 C ATOM 347 CG PHE A 24 9.333 -2.140 -14.200 1.00 0.00 C ATOM 348 CD1 PHE A 24 8.609 -3.073 -14.925 1.00 0.00 C ATOM 349 CD2 PHE A 24 10.696 -2.333 -14.041 1.00 0.00 C ATOM 350 CE1 PHE A 24 9.232 -4.175 -15.482 1.00 0.00 C ATOM 351 CE2 PHE A 24 11.324 -3.432 -14.595 1.00 0.00 C ATOM 352 CZ PHE A 24 10.591 -4.355 -15.315 1.00 0.00 C ATOM 0 H PHE A 24 9.838 0.974 -15.393 1.00 0.00 H new ATOM 0 HA PHE A 24 7.245 -0.391 -15.124 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.358 -0.426 -12.947 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.829 -1.282 -12.971 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.546 -2.938 -15.057 1.00 0.00 H new ATOM 0 HD2 PHE A 24 11.274 -1.616 -13.477 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.657 -4.894 -16.047 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.387 -3.569 -14.465 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.080 -5.216 -15.747 1.00 0.00 H new ATOM 362 N PRO A 25 6.749 2.055 -14.575 1.00 0.00 N ATOM 363 CA PRO A 25 6.240 3.324 -14.046 1.00 0.00 C ATOM 364 C PRO A 25 5.411 3.134 -12.780 1.00 0.00 C ATOM 365 O PRO A 25 5.155 2.006 -12.358 1.00 0.00 O ATOM 366 CB PRO A 25 5.365 3.857 -15.183 1.00 0.00 C ATOM 367 CG PRO A 25 4.948 2.644 -15.940 1.00 0.00 C ATOM 368 CD PRO A 25 6.095 1.677 -15.839 1.00 0.00 C ATOM 0 HA PRO A 25 7.047 3.998 -13.759 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.502 4.399 -14.797 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.919 4.549 -15.818 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.038 2.215 -15.519 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.734 2.888 -16.981 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.749 0.644 -15.819 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.774 1.769 -16.686 1.00 0.00 H new ATOM 376 N ALA A 26 4.994 4.243 -12.179 1.00 0.00 N ATOM 377 CA ALA A 26 4.191 4.198 -10.963 1.00 0.00 C ATOM 378 C ALA A 26 2.982 3.286 -11.137 1.00 0.00 C ATOM 379 O ALA A 26 2.159 3.493 -12.029 1.00 0.00 O ATOM 380 CB ALA A 26 3.746 5.599 -10.572 1.00 0.00 C ATOM 0 H ALA A 26 5.199 5.184 -12.514 1.00 0.00 H new ATOM 0 HA ALA A 26 4.809 3.789 -10.164 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.147 5.550 -9.662 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.622 6.223 -10.397 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.149 6.029 -11.376 1.00 0.00 H new ATOM 386 N GLY A 27 2.880 2.275 -10.279 1.00 0.00 N ATOM 387 CA GLY A 27 1.767 1.346 -10.356 1.00 0.00 C ATOM 388 C GLY A 27 2.201 -0.044 -10.775 1.00 0.00 C ATOM 389 O GLY A 27 1.550 -1.034 -10.439 1.00 0.00 O ATOM 0 H GLY A 27 3.548 2.083 -9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.275 1.292 -9.385 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.031 1.723 -11.066 1.00 0.00 H new ATOM 393 N THR A 28 3.304 -0.121 -11.514 1.00 0.00 N ATOM 394 CA THR A 28 3.822 -1.400 -11.983 1.00 0.00 C ATOM 395 C THR A 28 4.092 -2.344 -10.817 1.00 0.00 C ATOM 396 O THR A 28 5.024 -2.136 -10.040 1.00 0.00 O ATOM 397 CB THR A 28 5.121 -1.217 -12.792 1.00 0.00 C ATOM 398 OG1 THR A 28 4.927 -0.232 -13.813 1.00 0.00 O ATOM 399 CG2 THR A 28 5.554 -2.532 -13.423 1.00 0.00 C ATOM 0 H THR A 28 3.856 0.688 -11.800 1.00 0.00 H new ATOM 0 HA THR A 28 3.058 -1.833 -12.629 1.00 0.00 H new ATOM 0 HB THR A 28 5.904 -0.884 -12.111 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.062 0.662 -13.435 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.473 -2.379 -13.989 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.729 -3.271 -12.641 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.771 -2.890 -14.092 1.00 0.00 H new ATOM 407 N ARG A 29 3.272 -3.384 -10.701 1.00 0.00 N ATOM 408 CA ARG A 29 3.422 -4.360 -9.629 1.00 0.00 C ATOM 409 C ARG A 29 4.759 -5.088 -9.741 1.00 0.00 C ATOM 410 O ARG A 29 5.135 -5.554 -10.817 1.00 0.00 O ATOM 411 CB ARG A 29 2.274 -5.370 -9.666 1.00 0.00 C ATOM 412 CG ARG A 29 0.902 -4.739 -9.498 1.00 0.00 C ATOM 413 CD ARG A 29 0.718 -4.168 -8.101 1.00 0.00 C ATOM 414 NE ARG A 29 -0.688 -3.926 -7.789 1.00 0.00 N ATOM 415 CZ ARG A 29 -1.359 -2.857 -8.203 1.00 0.00 C ATOM 416 NH1 ARG A 29 -0.755 -1.936 -8.943 1.00 0.00 N ATOM 417 NH2 ARG A 29 -2.636 -2.707 -7.878 1.00 0.00 N ATOM 0 H ARG A 29 2.497 -3.572 -11.337 1.00 0.00 H new ATOM 0 HA ARG A 29 3.396 -3.827 -8.679 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.304 -5.907 -10.614 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.424 -6.107 -8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.772 -3.947 -10.236 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.131 -5.485 -9.692 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.138 -4.858 -7.369 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.274 -3.235 -8.015 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.182 -4.616 -7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.227 -2.048 -9.195 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.273 -1.116 -9.260 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.104 -3.413 -7.310 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.150 -1.886 -8.196 1.00 0.00 H new ATOM 431 N TRP A 30 5.470 -5.182 -8.624 1.00 0.00 N ATOM 432 CA TRP A 30 6.765 -5.853 -8.596 1.00 0.00 C ATOM 433 C TRP A 30 6.642 -7.294 -9.079 1.00 0.00 C ATOM 434 O TRP A 30 7.596 -7.865 -9.606 1.00 0.00 O ATOM 435 CB TRP A 30 7.348 -5.824 -7.182 1.00 0.00 C ATOM 436 CG TRP A 30 8.293 -4.683 -6.953 1.00 0.00 C ATOM 437 CD1 TRP A 30 7.961 -3.391 -6.660 1.00 0.00 C ATOM 438 CD2 TRP A 30 9.723 -4.732 -6.999 1.00 0.00 C ATOM 439 NE1 TRP A 30 9.100 -2.634 -6.521 1.00 0.00 N ATOM 440 CE2 TRP A 30 10.193 -3.434 -6.723 1.00 0.00 C ATOM 441 CE3 TRP A 30 10.652 -5.747 -7.243 1.00 0.00 C ATOM 442 CZ2 TRP A 30 11.551 -3.126 -6.688 1.00 0.00 C ATOM 443 CZ3 TRP A 30 11.998 -5.440 -7.208 1.00 0.00 C ATOM 444 CH2 TRP A 30 12.438 -4.139 -6.931 1.00 0.00 C ATOM 0 H TRP A 30 5.172 -4.802 -7.725 1.00 0.00 H new ATOM 0 HA TRP A 30 7.437 -5.320 -9.269 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.532 -5.761 -6.462 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.869 -6.762 -6.992 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.953 -3.019 -6.553 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.127 -1.638 -6.303 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.323 -6.754 -7.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.892 -2.123 -6.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 12.724 -6.217 -7.398 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.498 -3.932 -6.909 1.00 0.00 H new ATOM 455 N ASP A 31 5.461 -7.875 -8.896 1.00 0.00 N ATOM 456 CA ASP A 31 5.213 -9.250 -9.315 1.00 0.00 C ATOM 457 C ASP A 31 5.169 -9.355 -10.836 1.00 0.00 C ATOM 458 O ASP A 31 5.450 -10.411 -11.403 1.00 0.00 O ATOM 459 CB ASP A 31 3.900 -9.758 -8.718 1.00 0.00 C ATOM 460 CG ASP A 31 2.766 -8.766 -8.884 1.00 0.00 C ATOM 461 OD1 ASP A 31 2.440 -8.427 -10.041 1.00 0.00 O ATOM 462 OD2 ASP A 31 2.205 -8.328 -7.857 1.00 0.00 O ATOM 0 H ASP A 31 4.661 -7.416 -8.461 1.00 0.00 H new ATOM 0 HA ASP A 31 6.033 -9.869 -8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.628 -10.700 -9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.043 -9.967 -7.658 1.00 0.00 H new ATOM 467 N GLN A 32 4.813 -8.254 -11.490 1.00 0.00 N ATOM 468 CA GLN A 32 4.730 -8.224 -12.946 1.00 0.00 C ATOM 469 C GLN A 32 6.112 -8.374 -13.573 1.00 0.00 C ATOM 470 O GLN A 32 6.246 -8.868 -14.693 1.00 0.00 O ATOM 471 CB GLN A 32 4.083 -6.919 -13.414 1.00 0.00 C ATOM 472 CG GLN A 32 3.606 -6.960 -14.857 1.00 0.00 C ATOM 473 CD GLN A 32 2.324 -7.751 -15.025 1.00 0.00 C ATOM 474 OE1 GLN A 32 2.270 -8.712 -15.793 1.00 0.00 O ATOM 475 NE2 GLN A 32 1.282 -7.350 -14.307 1.00 0.00 N ATOM 0 H GLN A 32 4.578 -7.372 -11.035 1.00 0.00 H new ATOM 0 HA GLN A 32 4.113 -9.063 -13.267 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.236 -6.690 -12.767 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.800 -6.106 -13.300 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.450 -5.942 -15.213 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.384 -7.400 -15.481 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.371 -6.548 -13.683 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.392 -7.844 -14.380 1.00 0.00 H new ATOM 484 N ILE A 33 7.137 -7.943 -12.845 1.00 0.00 N ATOM 485 CA ILE A 33 8.509 -8.030 -13.330 1.00 0.00 C ATOM 486 C ILE A 33 8.844 -9.449 -13.777 1.00 0.00 C ATOM 487 O ILE A 33 8.566 -10.427 -13.083 1.00 0.00 O ATOM 488 CB ILE A 33 9.516 -7.592 -12.251 1.00 0.00 C ATOM 489 CG1 ILE A 33 9.198 -6.175 -11.770 1.00 0.00 C ATOM 490 CG2 ILE A 33 10.937 -7.667 -12.791 1.00 0.00 C ATOM 491 CD1 ILE A 33 10.134 -5.678 -10.690 1.00 0.00 C ATOM 0 H ILE A 33 7.043 -7.530 -11.917 1.00 0.00 H new ATOM 0 HA ILE A 33 8.587 -7.355 -14.182 1.00 0.00 H new ATOM 0 HB ILE A 33 9.434 -8.271 -11.402 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.242 -5.493 -12.619 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.175 -6.149 -11.393 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.637 -7.354 -12.017 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.159 -8.692 -13.089 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.033 -7.009 -13.655 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.849 -4.667 -10.398 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.073 -6.337 -9.824 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.156 -5.671 -11.069 1.00 0.00 H new ATOM 503 N PRO A 34 9.459 -9.566 -14.963 1.00 0.00 N ATOM 504 CA PRO A 34 9.849 -10.861 -15.529 1.00 0.00 C ATOM 505 C PRO A 34 10.996 -11.507 -14.761 1.00 0.00 C ATOM 506 O PRO A 34 12.033 -10.883 -14.534 1.00 0.00 O ATOM 507 CB PRO A 34 10.289 -10.508 -16.952 1.00 0.00 C ATOM 508 CG PRO A 34 10.709 -9.081 -16.876 1.00 0.00 C ATOM 509 CD PRO A 34 9.821 -8.442 -15.844 1.00 0.00 C ATOM 0 HA PRO A 34 9.036 -11.586 -15.487 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.110 -11.145 -17.282 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.474 -10.643 -17.663 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.758 -8.998 -16.593 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.599 -8.590 -17.843 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.341 -7.655 -15.298 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.940 -7.987 -16.298 1.00 0.00 H new ATOM 517 N ASP A 35 10.805 -12.760 -14.364 1.00 0.00 N ATOM 518 CA ASP A 35 11.825 -13.492 -13.622 1.00 0.00 C ATOM 519 C ASP A 35 12.929 -13.981 -14.555 1.00 0.00 C ATOM 520 O ASP A 35 14.012 -14.356 -14.107 1.00 0.00 O ATOM 521 CB ASP A 35 11.199 -14.678 -12.886 1.00 0.00 C ATOM 522 CG ASP A 35 9.897 -14.312 -12.201 1.00 0.00 C ATOM 523 OD1 ASP A 35 9.923 -13.444 -11.304 1.00 0.00 O ATOM 524 OD2 ASP A 35 8.853 -14.894 -12.561 1.00 0.00 O ATOM 0 H ASP A 35 9.953 -13.291 -14.544 1.00 0.00 H new ATOM 0 HA ASP A 35 12.265 -12.813 -12.891 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.019 -15.487 -13.594 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.903 -15.054 -12.144 1.00 0.00 H new ATOM 529 N ASP A 36 12.645 -13.975 -15.852 1.00 0.00 N ATOM 530 CA ASP A 36 13.614 -14.418 -16.849 1.00 0.00 C ATOM 531 C ASP A 36 14.652 -13.333 -17.117 1.00 0.00 C ATOM 532 O ASP A 36 15.748 -13.616 -17.602 1.00 0.00 O ATOM 533 CB ASP A 36 12.903 -14.794 -18.150 1.00 0.00 C ATOM 534 CG ASP A 36 12.268 -16.169 -18.086 1.00 0.00 C ATOM 535 OD1 ASP A 36 12.243 -16.761 -16.986 1.00 0.00 O ATOM 536 OD2 ASP A 36 11.797 -16.655 -19.136 1.00 0.00 O ATOM 0 H ASP A 36 11.752 -13.669 -16.239 1.00 0.00 H new ATOM 0 HA ASP A 36 14.126 -15.297 -16.457 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.135 -14.052 -18.368 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.617 -14.765 -18.973 1.00 0.00 H new ATOM 541 N TRP A 37 14.300 -12.093 -16.798 1.00 0.00 N ATOM 542 CA TRP A 37 15.202 -10.966 -17.006 1.00 0.00 C ATOM 543 C TRP A 37 16.566 -11.236 -16.380 1.00 0.00 C ATOM 544 O TRP A 37 16.655 -11.733 -15.256 1.00 0.00 O ATOM 545 CB TRP A 37 14.600 -9.689 -16.416 1.00 0.00 C ATOM 546 CG TRP A 37 14.787 -8.486 -17.289 1.00 0.00 C ATOM 547 CD1 TRP A 37 15.635 -7.438 -17.071 1.00 0.00 C ATOM 548 CD2 TRP A 37 14.109 -8.205 -18.519 1.00 0.00 C ATOM 549 NE1 TRP A 37 15.525 -6.523 -18.090 1.00 0.00 N ATOM 550 CE2 TRP A 37 14.597 -6.971 -18.992 1.00 0.00 C ATOM 551 CE3 TRP A 37 13.140 -8.878 -19.268 1.00 0.00 C ATOM 552 CZ2 TRP A 37 14.145 -6.398 -20.177 1.00 0.00 C ATOM 553 CZ3 TRP A 37 12.692 -8.307 -20.444 1.00 0.00 C ATOM 554 CH2 TRP A 37 13.195 -7.078 -20.890 1.00 0.00 C ATOM 0 H TRP A 37 13.397 -11.842 -16.395 1.00 0.00 H new ATOM 0 HA TRP A 37 15.336 -10.834 -18.080 1.00 0.00 H new ATOM 0 HB2 TRP A 37 13.535 -9.843 -16.246 1.00 0.00 H new ATOM 0 HB3 TRP A 37 15.054 -9.497 -15.444 1.00 0.00 H new ATOM 0 HD1 TRP A 37 16.295 -7.342 -16.222 1.00 0.00 H new ATOM 0 HE1 TRP A 37 16.050 -5.651 -18.163 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.748 -9.827 -18.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 14.530 -5.450 -20.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 11.941 -8.817 -21.029 1.00 0.00 H new ATOM 0 HH2 TRP A 37 12.826 -6.659 -21.814 1.00 0.00 H new ATOM 565 N CYS A 38 17.624 -10.908 -17.112 1.00 0.00 N ATOM 566 CA CYS A 38 18.984 -11.116 -16.627 1.00 0.00 C ATOM 567 C CYS A 38 19.557 -9.829 -16.044 1.00 0.00 C ATOM 568 O CYS A 38 18.966 -8.757 -16.181 1.00 0.00 O ATOM 569 CB CYS A 38 19.879 -11.621 -17.760 1.00 0.00 C ATOM 570 SG CYS A 38 19.791 -13.406 -18.032 1.00 0.00 S ATOM 0 H CYS A 38 17.567 -10.497 -18.044 1.00 0.00 H new ATOM 0 HA CYS A 38 18.951 -11.867 -15.837 1.00 0.00 H new ATOM 0 HB2 CYS A 38 19.602 -11.110 -18.682 1.00 0.00 H new ATOM 0 HB3 CYS A 38 20.912 -11.348 -17.542 1.00 0.00 H new ATOM 0 HG CYS A 38 20.581 -13.735 -19.011 1.00 0.00 H new ATOM 576 N CYS A 39 20.709 -9.942 -15.394 1.00 0.00 N ATOM 577 CA CYS A 39 21.361 -8.787 -14.787 1.00 0.00 C ATOM 578 C CYS A 39 22.823 -9.089 -14.476 1.00 0.00 C ATOM 579 O CYS A 39 23.241 -10.245 -14.400 1.00 0.00 O ATOM 580 CB CYS A 39 20.630 -8.374 -13.509 1.00 0.00 C ATOM 581 SG CYS A 39 19.566 -6.925 -13.702 1.00 0.00 S ATOM 0 H CYS A 39 21.211 -10.822 -15.273 1.00 0.00 H new ATOM 0 HA CYS A 39 21.322 -7.964 -15.500 1.00 0.00 H new ATOM 0 HB2 CYS A 39 20.025 -9.212 -13.162 1.00 0.00 H new ATOM 0 HB3 CYS A 39 21.367 -8.170 -12.732 1.00 0.00 H new ATOM 0 HG CYS A 39 18.882 -7.033 -14.802 1.00 0.00 H new ATOM 587 N PRO A 40 23.622 -8.027 -14.293 1.00 0.00 N ATOM 588 CA PRO A 40 25.050 -8.153 -13.988 1.00 0.00 C ATOM 589 C PRO A 40 25.297 -8.704 -12.587 1.00 0.00 C ATOM 590 O PRO A 40 26.080 -9.636 -12.406 1.00 0.00 O ATOM 591 CB PRO A 40 25.564 -6.715 -14.095 1.00 0.00 C ATOM 592 CG PRO A 40 24.371 -5.865 -13.823 1.00 0.00 C ATOM 593 CD PRO A 40 23.191 -6.621 -14.368 1.00 0.00 C ATOM 0 HA PRO A 40 25.550 -8.850 -14.660 1.00 0.00 H new ATOM 0 HB2 PRO A 40 26.359 -6.524 -13.374 1.00 0.00 H new ATOM 0 HB3 PRO A 40 25.976 -6.514 -15.084 1.00 0.00 H new ATOM 0 HG2 PRO A 40 24.258 -5.682 -12.754 1.00 0.00 H new ATOM 0 HG3 PRO A 40 24.467 -4.892 -14.304 1.00 0.00 H new ATOM 0 HD2 PRO A 40 22.293 -6.444 -13.777 1.00 0.00 H new ATOM 0 HD3 PRO A 40 22.962 -6.325 -15.392 1.00 0.00 H new ATOM 601 N ASP A 41 24.625 -8.121 -11.600 1.00 0.00 N ATOM 602 CA ASP A 41 24.771 -8.555 -10.216 1.00 0.00 C ATOM 603 C ASP A 41 23.917 -9.789 -9.940 1.00 0.00 C ATOM 604 O ASP A 41 24.403 -10.784 -9.402 1.00 0.00 O ATOM 605 CB ASP A 41 24.380 -7.425 -9.261 1.00 0.00 C ATOM 606 CG ASP A 41 25.582 -6.805 -8.575 1.00 0.00 C ATOM 607 OD1 ASP A 41 26.468 -6.286 -9.285 1.00 0.00 O ATOM 608 OD2 ASP A 41 25.635 -6.839 -7.328 1.00 0.00 O ATOM 0 H ASP A 41 23.974 -7.347 -11.733 1.00 0.00 H new ATOM 0 HA ASP A 41 25.817 -8.815 -10.051 1.00 0.00 H new ATOM 0 HB2 ASP A 41 23.844 -6.654 -9.815 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.694 -7.811 -8.507 1.00 0.00 H new ATOM 613 N CYS A 42 22.644 -9.716 -10.311 1.00 0.00 N ATOM 614 CA CYS A 42 21.722 -10.826 -10.102 1.00 0.00 C ATOM 615 C CYS A 42 22.231 -12.091 -10.785 1.00 0.00 C ATOM 616 O CYS A 42 21.863 -13.204 -10.407 1.00 0.00 O ATOM 617 CB CYS A 42 20.332 -10.469 -10.632 1.00 0.00 C ATOM 618 SG CYS A 42 19.022 -11.584 -10.078 1.00 0.00 S ATOM 0 H CYS A 42 22.227 -8.900 -10.758 1.00 0.00 H new ATOM 0 HA CYS A 42 21.656 -11.015 -9.030 1.00 0.00 H new ATOM 0 HB2 CYS A 42 20.086 -9.454 -10.321 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.359 -10.471 -11.722 1.00 0.00 H new ATOM 0 HG CYS A 42 19.490 -12.385 -9.167 1.00 0.00 H new ATOM 624 N SER A 43 23.078 -11.913 -11.794 1.00 0.00 N ATOM 625 CA SER A 43 23.633 -13.041 -12.534 1.00 0.00 C ATOM 626 C SER A 43 24.220 -14.078 -11.582 1.00 0.00 C ATOM 627 O SER A 43 24.215 -15.275 -11.870 1.00 0.00 O ATOM 628 CB SER A 43 24.709 -12.558 -13.508 1.00 0.00 C ATOM 629 OG SER A 43 25.694 -13.556 -13.716 1.00 0.00 O ATOM 0 H SER A 43 23.395 -10.999 -12.118 1.00 0.00 H new ATOM 0 HA SER A 43 22.826 -13.508 -13.098 1.00 0.00 H new ATOM 0 HB2 SER A 43 24.249 -12.292 -14.460 1.00 0.00 H new ATOM 0 HB3 SER A 43 25.178 -11.655 -13.118 1.00 0.00 H new ATOM 0 HG SER A 43 26.369 -13.223 -14.343 1.00 0.00 H new ATOM 635 N VAL A 44 24.727 -13.610 -10.446 1.00 0.00 N ATOM 636 CA VAL A 44 25.318 -14.496 -9.450 1.00 0.00 C ATOM 637 C VAL A 44 24.494 -14.509 -8.167 1.00 0.00 C ATOM 638 O VAL A 44 24.609 -15.424 -7.352 1.00 0.00 O ATOM 639 CB VAL A 44 26.763 -14.080 -9.115 1.00 0.00 C ATOM 640 CG1 VAL A 44 26.797 -12.663 -8.565 1.00 0.00 C ATOM 641 CG2 VAL A 44 27.384 -15.059 -8.129 1.00 0.00 C ATOM 0 H VAL A 44 24.740 -12.622 -10.192 1.00 0.00 H new ATOM 0 HA VAL A 44 25.327 -15.496 -9.883 1.00 0.00 H new ATOM 0 HB VAL A 44 27.351 -14.102 -10.033 1.00 0.00 H new ATOM 0 HG11 VAL A 44 27.826 -12.387 -8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 44 26.395 -11.975 -9.308 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.195 -12.610 -7.658 1.00 0.00 H new ATOM 0 HG21 VAL A 44 28.405 -14.750 -7.903 1.00 0.00 H new ATOM 0 HG22 VAL A 44 26.797 -15.072 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 44 27.395 -16.058 -8.566 1.00 0.00 H new ATOM 651 N ARG A 45 23.662 -13.486 -7.995 1.00 0.00 N ATOM 652 CA ARG A 45 22.819 -13.379 -6.811 1.00 0.00 C ATOM 653 C ARG A 45 21.372 -13.735 -7.140 1.00 0.00 C ATOM 654 O ARG A 45 20.774 -13.163 -8.050 1.00 0.00 O ATOM 655 CB ARG A 45 22.889 -11.963 -6.236 1.00 0.00 C ATOM 656 CG ARG A 45 24.298 -11.519 -5.881 1.00 0.00 C ATOM 657 CD ARG A 45 24.914 -12.416 -4.818 1.00 0.00 C ATOM 658 NE ARG A 45 25.931 -11.718 -4.035 1.00 0.00 N ATOM 659 CZ ARG A 45 26.672 -12.306 -3.103 1.00 0.00 C ATOM 660 NH1 ARG A 45 26.511 -13.595 -2.839 1.00 0.00 N ATOM 661 NH2 ARG A 45 27.576 -11.604 -2.432 1.00 0.00 N ATOM 0 H ARG A 45 23.554 -12.721 -8.660 1.00 0.00 H new ATOM 0 HA ARG A 45 23.189 -14.085 -6.067 1.00 0.00 H new ATOM 0 HB2 ARG A 45 22.469 -11.265 -6.960 1.00 0.00 H new ATOM 0 HB3 ARG A 45 22.265 -11.911 -5.344 1.00 0.00 H new ATOM 0 HG2 ARG A 45 24.921 -11.532 -6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 45 24.277 -10.490 -5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 45 24.131 -12.780 -4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 45 25.359 -13.289 -5.294 1.00 0.00 H new ATOM 0 HE ARG A 45 26.080 -10.725 -4.214 1.00 0.00 H new ATOM 0 HH11 ARG A 45 25.817 -14.138 -3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 45 27.082 -14.044 -2.123 1.00 0.00 H new ATOM 0 HH21 ARG A 45 27.702 -10.612 -2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 45 28.145 -12.057 -1.716 1.00 0.00 H new ATOM 675 N GLU A 46 20.817 -14.684 -6.392 1.00 0.00 N ATOM 676 CA GLU A 46 19.441 -15.117 -6.605 1.00 0.00 C ATOM 677 C GLU A 46 18.491 -13.923 -6.617 1.00 0.00 C ATOM 678 O GLU A 46 18.779 -12.879 -6.031 1.00 0.00 O ATOM 679 CB GLU A 46 19.020 -16.107 -5.518 1.00 0.00 C ATOM 680 CG GLU A 46 17.988 -17.121 -5.985 1.00 0.00 C ATOM 681 CD GLU A 46 18.589 -18.203 -6.861 1.00 0.00 C ATOM 682 OE1 GLU A 46 19.606 -18.801 -6.454 1.00 0.00 O ATOM 683 OE2 GLU A 46 18.040 -18.451 -7.955 1.00 0.00 O ATOM 0 H GLU A 46 21.299 -15.167 -5.634 1.00 0.00 H new ATOM 0 HA GLU A 46 19.389 -15.611 -7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 46 19.902 -16.638 -5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.615 -15.553 -4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.518 -17.582 -5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.202 -16.606 -6.538 1.00 0.00 H new ATOM 690 N LYS A 47 17.356 -14.084 -7.289 1.00 0.00 N ATOM 691 CA LYS A 47 16.361 -13.022 -7.378 1.00 0.00 C ATOM 692 C LYS A 47 15.488 -12.988 -6.128 1.00 0.00 C ATOM 693 O LYS A 47 14.816 -11.993 -5.854 1.00 0.00 O ATOM 694 CB LYS A 47 15.487 -13.216 -8.619 1.00 0.00 C ATOM 695 CG LYS A 47 14.744 -11.960 -9.042 1.00 0.00 C ATOM 696 CD LYS A 47 14.193 -12.087 -10.452 1.00 0.00 C ATOM 697 CE LYS A 47 13.235 -10.953 -10.781 1.00 0.00 C ATOM 698 NZ LYS A 47 13.954 -9.742 -11.265 1.00 0.00 N ATOM 0 H LYS A 47 17.102 -14.941 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 47 16.888 -12.071 -7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 47 16.113 -13.553 -9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.764 -14.008 -8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.927 -11.768 -8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.416 -11.103 -8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.016 -12.088 -11.167 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.678 -13.042 -10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.528 -11.284 -11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.654 -10.700 -9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.266 -8.992 -11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.610 -9.411 -10.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.489 -9.977 -12.126 1.00 0.00 H new ATOM 712 N VAL A 48 15.502 -14.081 -5.371 1.00 0.00 N ATOM 713 CA VAL A 48 14.714 -14.175 -4.149 1.00 0.00 C ATOM 714 C VAL A 48 15.326 -13.336 -3.033 1.00 0.00 C ATOM 715 O VAL A 48 14.736 -13.178 -1.965 1.00 0.00 O ATOM 716 CB VAL A 48 14.592 -15.634 -3.670 1.00 0.00 C ATOM 717 CG1 VAL A 48 15.940 -16.155 -3.196 1.00 0.00 C ATOM 718 CG2 VAL A 48 13.549 -15.748 -2.568 1.00 0.00 C ATOM 0 H VAL A 48 16.051 -14.914 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 48 13.721 -13.793 -4.384 1.00 0.00 H new ATOM 0 HB VAL A 48 14.267 -16.248 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 48 15.834 -17.187 -2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.656 -16.111 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 48 16.297 -15.541 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 48 13.476 -16.786 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 48 13.841 -15.122 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.582 -15.418 -2.947 1.00 0.00 H new ATOM 728 N ASP A 49 16.514 -12.799 -3.289 1.00 0.00 N ATOM 729 CA ASP A 49 17.208 -11.973 -2.307 1.00 0.00 C ATOM 730 C ASP A 49 16.404 -10.716 -1.989 1.00 0.00 C ATOM 731 O ASP A 49 16.540 -10.136 -0.912 1.00 0.00 O ATOM 732 CB ASP A 49 18.596 -11.589 -2.821 1.00 0.00 C ATOM 733 CG ASP A 49 19.572 -11.307 -1.696 1.00 0.00 C ATOM 734 OD1 ASP A 49 19.449 -10.241 -1.056 1.00 0.00 O ATOM 735 OD2 ASP A 49 20.459 -12.152 -1.455 1.00 0.00 O ATOM 0 H ASP A 49 17.017 -12.921 -4.168 1.00 0.00 H new ATOM 0 HA ASP A 49 17.317 -12.555 -1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 49 18.986 -12.395 -3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 49 18.514 -10.707 -3.456 1.00 0.00 H new ATOM 740 N PHE A 50 15.566 -10.301 -2.933 1.00 0.00 N ATOM 741 CA PHE A 50 14.741 -9.112 -2.755 1.00 0.00 C ATOM 742 C PHE A 50 13.968 -9.178 -1.441 1.00 0.00 C ATOM 743 O PHE A 50 13.409 -10.216 -1.090 1.00 0.00 O ATOM 744 CB PHE A 50 13.767 -8.960 -3.925 1.00 0.00 C ATOM 745 CG PHE A 50 14.303 -8.114 -5.045 1.00 0.00 C ATOM 746 CD1 PHE A 50 14.408 -6.739 -4.902 1.00 0.00 C ATOM 747 CD2 PHE A 50 14.702 -8.692 -6.239 1.00 0.00 C ATOM 748 CE1 PHE A 50 14.899 -5.958 -5.931 1.00 0.00 C ATOM 749 CE2 PHE A 50 15.194 -7.916 -7.271 1.00 0.00 C ATOM 750 CZ PHE A 50 15.294 -6.547 -7.116 1.00 0.00 C ATOM 0 H PHE A 50 15.440 -10.771 -3.830 1.00 0.00 H new ATOM 0 HA PHE A 50 15.401 -8.245 -2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 50 13.520 -9.948 -4.313 1.00 0.00 H new ATOM 0 HB3 PHE A 50 12.839 -8.520 -3.560 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.103 -6.273 -3.977 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.628 -9.762 -6.365 1.00 0.00 H new ATOM 0 HE1 PHE A 50 14.974 -4.888 -5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.500 -8.379 -8.197 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.680 -5.938 -7.920 1.00 0.00 H new ATOM 760 N GLU A 51 13.944 -8.062 -0.719 1.00 0.00 N ATOM 761 CA GLU A 51 13.241 -7.994 0.557 1.00 0.00 C ATOM 762 C GLU A 51 12.372 -6.742 0.634 1.00 0.00 C ATOM 763 O GLU A 51 12.780 -5.663 0.203 1.00 0.00 O ATOM 764 CB GLU A 51 14.240 -8.007 1.716 1.00 0.00 C ATOM 765 CG GLU A 51 14.942 -9.342 1.900 1.00 0.00 C ATOM 766 CD GLU A 51 14.158 -10.298 2.777 1.00 0.00 C ATOM 767 OE1 GLU A 51 13.673 -9.862 3.843 1.00 0.00 O ATOM 768 OE2 GLU A 51 14.029 -11.481 2.399 1.00 0.00 O ATOM 0 H GLU A 51 14.403 -7.194 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 51 12.595 -8.869 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.989 -7.233 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.718 -7.751 2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.104 -9.800 0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.925 -9.174 2.341 1.00 0.00 H new ATOM 775 N ARG A 52 11.172 -6.894 1.184 1.00 0.00 N ATOM 776 CA ARG A 52 10.245 -5.777 1.316 1.00 0.00 C ATOM 777 C ARG A 52 10.821 -4.696 2.226 1.00 0.00 C ATOM 778 O ARG A 52 11.464 -4.996 3.231 1.00 0.00 O ATOM 779 CB ARG A 52 8.904 -6.262 1.869 1.00 0.00 C ATOM 780 CG ARG A 52 9.016 -6.956 3.217 1.00 0.00 C ATOM 781 CD ARG A 52 7.736 -7.697 3.570 1.00 0.00 C ATOM 782 NE ARG A 52 7.842 -8.396 4.848 1.00 0.00 N ATOM 783 CZ ARG A 52 8.504 -9.536 5.010 1.00 0.00 C ATOM 784 NH1 ARG A 52 9.116 -10.103 3.979 1.00 0.00 N ATOM 785 NH2 ARG A 52 8.556 -10.111 6.205 1.00 0.00 N ATOM 0 H ARG A 52 10.819 -7.780 1.545 1.00 0.00 H new ATOM 0 HA ARG A 52 10.089 -5.349 0.326 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.230 -5.410 1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.452 -6.948 1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.850 -7.657 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.236 -6.219 3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.908 -6.990 3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.504 -8.414 2.783 1.00 0.00 H new ATOM 0 HE ARG A 52 7.382 -7.986 5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.079 -9.664 3.059 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.624 -10.978 4.106 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.087 -9.677 7.000 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.065 -10.986 6.328 1.00 0.00 H new ATOM 799 N MET A 53 10.586 -3.439 1.865 1.00 0.00 N ATOM 800 CA MET A 53 11.081 -2.314 2.650 1.00 0.00 C ATOM 801 C MET A 53 9.946 -1.645 3.418 1.00 0.00 C ATOM 802 O MET A 53 9.780 -0.427 3.363 1.00 0.00 O ATOM 803 CB MET A 53 11.768 -1.294 1.740 1.00 0.00 C ATOM 804 CG MET A 53 10.868 -0.757 0.639 1.00 0.00 C ATOM 805 SD MET A 53 11.306 0.918 0.138 1.00 0.00 S ATOM 806 CE MET A 53 12.057 0.609 -1.458 1.00 0.00 C ATOM 0 H MET A 53 10.056 -3.174 1.035 1.00 0.00 H new ATOM 0 HA MET A 53 11.806 -2.696 3.369 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.124 -0.461 2.346 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.645 -1.756 1.287 1.00 0.00 H new ATOM 0 HG2 MET A 53 10.926 -1.417 -0.226 1.00 0.00 H new ATOM 0 HG3 MET A 53 9.833 -0.770 0.982 1.00 0.00 H new ATOM 0 HE1 MET A 53 13.059 1.038 -1.478 1.00 0.00 H new ATOM 0 HE2 MET A 53 12.119 -0.466 -1.629 1.00 0.00 H new ATOM 0 HE3 MET A 53 11.451 1.067 -2.240 1.00 0.00 H new