USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 SER N :NH3+ 142:sc= 0.0557 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0276 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= -0.0612 (180deg=-0.309) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -90:sc= 1.12 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc=-0.00512 (180deg=-0.119) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.182 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -3.37! K(o=-3.4!,f=-1.8) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0478 (180deg=-0.375) USER MOD Single : A 47 SER OG : rot 1:sc= 0.658 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -156:sc= -0.211 (180deg=-0.74) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 62 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.095) USER MOD Single : A 64 MET CE :methyl 165:sc= -2.22 (180deg=-2.72!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 66 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 169:sc= -0.0093 (180deg=-0.133) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.086 -18.937 -13.275 1.00 0.03 N ATOM 2 CA SER A 1 4.480 -18.884 -14.664 1.00 43.42 C ATOM 3 C SER A 1 3.279 -18.522 -15.521 1.00 14.04 C ATOM 4 O SER A 1 2.187 -19.053 -15.320 1.00 3.42 O ATOM 5 CB SER A 1 5.040 -20.235 -15.068 1.00 24.45 C ATOM 6 OG SER A 1 6.114 -20.602 -14.212 1.00 10.03 O ATOM 0 H1 SER A 1 4.581 -19.721 -12.803 1.00 0.03 H new ATOM 0 H2 SER A 1 4.334 -18.041 -12.809 1.00 0.03 H new ATOM 0 H3 SER A 1 3.059 -19.088 -13.211 1.00 0.03 H new ATOM 0 HA SER A 1 5.247 -18.123 -14.809 1.00 43.42 H new ATOM 0 HB2 SER A 1 4.255 -20.990 -15.021 1.00 24.45 H new ATOM 0 HB3 SER A 1 5.386 -20.198 -16.101 1.00 24.45 H new ATOM 0 HG SER A 1 6.464 -21.476 -14.483 1.00 10.03 H new ATOM 14 N ASP A 2 3.468 -17.612 -16.446 1.00 32.32 N ATOM 15 CA ASP A 2 2.402 -17.175 -17.349 1.00 55.33 C ATOM 16 C ASP A 2 2.986 -16.703 -18.661 1.00 73.03 C ATOM 17 O ASP A 2 2.452 -16.976 -19.734 1.00 61.54 O ATOM 18 CB ASP A 2 1.574 -16.041 -16.719 1.00 13.11 C ATOM 19 CG ASP A 2 0.498 -15.512 -17.653 1.00 4.14 C ATOM 20 OD1 ASP A 2 -0.603 -16.113 -17.715 1.00 12.50 O ATOM 21 OD2 ASP A 2 0.739 -14.493 -18.347 1.00 34.33 O ATOM 0 H ASP A 2 4.362 -17.146 -16.603 1.00 32.32 H new ATOM 0 HA ASP A 2 1.747 -18.028 -17.529 1.00 55.33 H new ATOM 0 HB2 ASP A 2 1.108 -16.403 -15.802 1.00 13.11 H new ATOM 0 HB3 ASP A 2 2.239 -15.224 -16.438 1.00 13.11 H new ATOM 26 N GLY A 3 4.080 -16.004 -18.562 1.00 12.42 N ATOM 27 CA GLY A 3 4.734 -15.449 -19.710 1.00 31.11 C ATOM 28 C GLY A 3 4.941 -13.990 -19.489 1.00 14.42 C ATOM 29 O GLY A 3 5.972 -13.420 -19.854 1.00 41.20 O ATOM 0 H GLY A 3 4.545 -15.802 -17.677 1.00 12.42 H new ATOM 0 HA2 GLY A 3 5.691 -15.945 -19.875 1.00 31.11 H new ATOM 0 HA3 GLY A 3 4.131 -15.613 -20.603 1.00 31.11 H new ATOM 33 N GLY A 4 3.965 -13.393 -18.862 1.00 43.51 N ATOM 34 CA GLY A 4 4.009 -12.007 -18.536 1.00 10.03 C ATOM 35 C GLY A 4 2.850 -11.656 -17.663 1.00 35.34 C ATOM 36 O GLY A 4 1.839 -11.131 -18.146 1.00 74.04 O ATOM 0 H GLY A 4 3.112 -13.865 -18.563 1.00 43.51 H new ATOM 0 HA2 GLY A 4 4.944 -11.773 -18.026 1.00 10.03 H new ATOM 0 HA3 GLY A 4 3.984 -11.409 -19.447 1.00 10.03 H new ATOM 40 N ALA A 5 2.976 -11.956 -16.388 1.00 12.05 N ATOM 41 CA ALA A 5 1.911 -11.713 -15.448 1.00 64.42 C ATOM 42 C ALA A 5 1.766 -10.228 -15.187 1.00 55.43 C ATOM 43 O ALA A 5 2.669 -9.580 -14.642 1.00 55.55 O ATOM 44 CB ALA A 5 2.138 -12.476 -14.158 1.00 61.25 C ATOM 0 H ALA A 5 3.813 -12.372 -15.980 1.00 12.05 H new ATOM 0 HA ALA A 5 0.980 -12.075 -15.884 1.00 64.42 H new ATOM 0 HB1 ALA A 5 1.319 -12.274 -13.467 1.00 61.25 H new ATOM 0 HB2 ALA A 5 2.179 -13.544 -14.370 1.00 61.25 H new ATOM 0 HB3 ALA A 5 3.079 -12.159 -13.708 1.00 61.25 H new ATOM 50 N GLN A 6 0.650 -9.685 -15.599 1.00 41.32 N ATOM 51 CA GLN A 6 0.387 -8.275 -15.433 1.00 50.32 C ATOM 52 C GLN A 6 -0.918 -8.066 -14.701 1.00 33.34 C ATOM 53 O GLN A 6 -1.488 -6.966 -14.711 1.00 44.03 O ATOM 54 CB GLN A 6 0.381 -7.557 -16.780 1.00 61.31 C ATOM 55 CG GLN A 6 1.702 -7.665 -17.526 1.00 32.23 C ATOM 56 CD GLN A 6 1.725 -6.861 -18.795 1.00 45.15 C ATOM 57 OE1 GLN A 6 1.073 -5.821 -18.901 1.00 10.52 O ATOM 58 NE2 GLN A 6 2.471 -7.318 -19.761 1.00 25.22 N ATOM 0 H GLN A 6 -0.100 -10.203 -16.057 1.00 41.32 H new ATOM 0 HA GLN A 6 1.189 -7.845 -14.833 1.00 50.32 H new ATOM 0 HB2 GLN A 6 -0.414 -7.971 -17.401 1.00 61.31 H new ATOM 0 HB3 GLN A 6 0.146 -6.504 -16.622 1.00 61.31 H new ATOM 0 HG2 GLN A 6 2.509 -7.330 -16.875 1.00 32.23 H new ATOM 0 HG3 GLN A 6 1.896 -8.711 -17.761 1.00 32.23 H new ATOM 0 HE21 GLN A 6 2.996 -8.183 -19.634 1.00 25.22 H new ATOM 0 HE22 GLN A 6 2.530 -6.810 -20.644 1.00 25.22 H new ATOM 67 N ASP A 7 -1.393 -9.119 -14.061 1.00 63.20 N ATOM 68 CA ASP A 7 -2.582 -9.021 -13.244 1.00 25.54 C ATOM 69 C ASP A 7 -2.277 -8.150 -12.040 1.00 61.23 C ATOM 70 O ASP A 7 -1.176 -8.235 -11.478 1.00 63.02 O ATOM 71 CB ASP A 7 -3.097 -10.400 -12.828 1.00 12.14 C ATOM 72 CG ASP A 7 -4.366 -10.331 -12.007 1.00 4.21 C ATOM 73 OD1 ASP A 7 -5.402 -9.848 -12.520 1.00 64.00 O ATOM 74 OD2 ASP A 7 -4.354 -10.740 -10.833 1.00 3.15 O ATOM 0 H ASP A 7 -0.973 -10.048 -14.093 1.00 63.20 H new ATOM 0 HA ASP A 7 -3.381 -8.561 -13.826 1.00 25.54 H new ATOM 0 HB2 ASP A 7 -3.280 -10.999 -13.720 1.00 12.14 H new ATOM 0 HB3 ASP A 7 -2.326 -10.912 -12.253 1.00 12.14 H new ATOM 79 N CYS A 8 -3.240 -7.323 -11.672 1.00 45.23 N ATOM 80 CA CYS A 8 -3.089 -6.289 -10.647 1.00 72.54 C ATOM 81 C CYS A 8 -2.395 -6.737 -9.354 1.00 33.51 C ATOM 82 O CYS A 8 -2.566 -7.876 -8.884 1.00 54.45 O ATOM 83 CB CYS A 8 -4.426 -5.622 -10.357 1.00 71.21 C ATOM 84 SG CYS A 8 -5.148 -4.749 -11.804 1.00 75.35 S ATOM 0 H CYS A 8 -4.173 -7.347 -12.084 1.00 45.23 H new ATOM 0 HA CYS A 8 -2.402 -5.562 -11.079 1.00 72.54 H new ATOM 0 HB2 CYS A 8 -5.131 -6.378 -10.011 1.00 71.21 H new ATOM 0 HB3 CYS A 8 -4.297 -4.910 -9.542 1.00 71.21 H new ATOM 89 N CYS A 9 -1.621 -5.790 -8.800 1.00 20.54 N ATOM 90 CA CYS A 9 -0.803 -5.934 -7.599 1.00 11.23 C ATOM 91 C CYS A 9 0.539 -6.594 -7.919 1.00 32.34 C ATOM 92 O CYS A 9 0.635 -7.808 -8.096 1.00 21.40 O ATOM 93 CB CYS A 9 -1.530 -6.632 -6.458 1.00 33.31 C ATOM 94 SG CYS A 9 -0.590 -6.641 -4.914 1.00 41.33 S ATOM 0 H CYS A 9 -1.550 -4.856 -9.204 1.00 20.54 H new ATOM 0 HA CYS A 9 -0.599 -4.926 -7.239 1.00 11.23 H new ATOM 0 HB2 CYS A 9 -2.487 -6.139 -6.290 1.00 33.31 H new ATOM 0 HB3 CYS A 9 -1.748 -7.660 -6.749 1.00 33.31 H new ATOM 99 N LEU A 10 1.577 -5.769 -7.992 1.00 13.30 N ATOM 100 CA LEU A 10 2.911 -6.200 -8.418 1.00 3.33 C ATOM 101 C LEU A 10 3.759 -6.898 -7.338 1.00 11.42 C ATOM 102 O LEU A 10 4.735 -7.571 -7.663 1.00 51.33 O ATOM 103 CB LEU A 10 3.675 -5.008 -9.064 1.00 50.32 C ATOM 104 CG LEU A 10 3.865 -3.695 -8.229 1.00 11.21 C ATOM 105 CD1 LEU A 10 4.817 -3.860 -7.046 1.00 13.22 C ATOM 106 CD2 LEU A 10 4.321 -2.567 -9.129 1.00 24.41 C ATOM 0 H LEU A 10 1.521 -4.778 -7.757 1.00 13.30 H new ATOM 0 HA LEU A 10 2.743 -6.981 -9.160 1.00 3.33 H new ATOM 0 HB2 LEU A 10 4.665 -5.365 -9.349 1.00 50.32 H new ATOM 0 HB3 LEU A 10 3.155 -4.742 -9.984 1.00 50.32 H new ATOM 0 HG LEU A 10 2.892 -3.452 -7.802 1.00 11.21 H new ATOM 0 HD11 LEU A 10 4.902 -2.913 -6.513 1.00 13.22 H new ATOM 0 HD12 LEU A 10 4.430 -4.623 -6.371 1.00 13.22 H new ATOM 0 HD13 LEU A 10 5.800 -4.161 -7.409 1.00 13.22 H new ATOM 0 HD21 LEU A 10 4.450 -1.660 -8.539 1.00 24.41 H new ATOM 0 HD22 LEU A 10 5.269 -2.834 -9.595 1.00 24.41 H new ATOM 0 HD23 LEU A 10 3.573 -2.393 -9.902 1.00 24.41 H new ATOM 118 N LYS A 11 3.414 -6.732 -6.084 1.00 72.20 N ATOM 119 CA LYS A 11 4.166 -7.278 -5.023 1.00 24.20 C ATOM 120 C LYS A 11 3.234 -7.619 -3.880 1.00 64.34 C ATOM 121 O LYS A 11 2.221 -6.968 -3.711 1.00 22.31 O ATOM 122 CB LYS A 11 5.247 -6.264 -4.569 1.00 41.35 C ATOM 123 CG LYS A 11 6.112 -6.729 -3.425 1.00 53.45 C ATOM 124 CD LYS A 11 6.807 -8.001 -3.799 1.00 73.15 C ATOM 125 CE LYS A 11 7.873 -7.806 -4.880 1.00 24.10 C ATOM 126 NZ LYS A 11 8.921 -6.850 -4.468 1.00 74.42 N ATOM 0 H LYS A 11 2.592 -6.206 -5.787 1.00 72.20 H new ATOM 0 HA LYS A 11 4.669 -8.187 -5.352 1.00 24.20 H new ATOM 0 HB2 LYS A 11 5.888 -6.033 -5.420 1.00 41.35 H new ATOM 0 HB3 LYS A 11 4.755 -5.336 -4.279 1.00 41.35 H new ATOM 0 HG2 LYS A 11 6.846 -5.962 -3.177 1.00 53.45 H new ATOM 0 HG3 LYS A 11 5.501 -6.885 -2.536 1.00 53.45 H new ATOM 0 HD2 LYS A 11 7.272 -8.429 -2.911 1.00 73.15 H new ATOM 0 HD3 LYS A 11 6.069 -8.722 -4.151 1.00 73.15 H new ATOM 0 HE2 LYS A 11 8.332 -8.767 -5.112 1.00 24.10 H new ATOM 0 HE3 LYS A 11 7.399 -7.450 -5.795 1.00 24.10 H new ATOM 0 HZ1 LYS A 11 9.733 -6.925 -5.114 1.00 74.42 H new ATOM 0 HZ2 LYS A 11 8.541 -5.883 -4.501 1.00 74.42 H new ATOM 0 HZ3 LYS A 11 9.228 -7.068 -3.499 1.00 74.42 H new ATOM 140 N TYR A 12 3.564 -8.640 -3.138 1.00 73.25 N ATOM 141 CA TYR A 12 2.809 -9.001 -1.969 1.00 50.01 C ATOM 142 C TYR A 12 3.596 -8.560 -0.754 1.00 14.22 C ATOM 143 O TYR A 12 4.833 -8.586 -0.780 1.00 73.43 O ATOM 144 CB TYR A 12 2.542 -10.524 -1.923 1.00 74.11 C ATOM 145 CG TYR A 12 3.780 -11.410 -1.816 1.00 54.35 C ATOM 146 CD1 TYR A 12 4.493 -11.790 -2.947 1.00 23.32 C ATOM 147 CD2 TYR A 12 4.222 -11.873 -0.579 1.00 74.01 C ATOM 148 CE1 TYR A 12 5.610 -12.602 -2.848 1.00 62.15 C ATOM 149 CE2 TYR A 12 5.332 -12.683 -0.473 1.00 21.44 C ATOM 150 CZ TYR A 12 6.023 -13.045 -1.609 1.00 51.21 C ATOM 151 OH TYR A 12 7.132 -13.862 -1.506 1.00 3.12 O ATOM 0 H TYR A 12 4.363 -9.245 -3.326 1.00 73.25 H new ATOM 0 HA TYR A 12 1.837 -8.509 -1.991 1.00 50.01 H new ATOM 0 HB2 TYR A 12 1.892 -10.735 -1.074 1.00 74.11 H new ATOM 0 HB3 TYR A 12 1.993 -10.805 -2.822 1.00 74.11 H new ATOM 0 HD1 TYR A 12 4.170 -11.446 -3.919 1.00 23.32 H new ATOM 0 HD2 TYR A 12 3.684 -11.592 0.315 1.00 74.01 H new ATOM 0 HE1 TYR A 12 6.155 -12.887 -3.736 1.00 62.15 H new ATOM 0 HE2 TYR A 12 5.659 -13.032 0.495 1.00 21.44 H new ATOM 0 HH TYR A 12 7.289 -14.083 -0.564 1.00 3.12 H new ATOM 161 N SER A 13 2.926 -8.147 0.283 1.00 54.44 N ATOM 162 CA SER A 13 3.623 -7.731 1.456 1.00 52.41 C ATOM 163 C SER A 13 3.662 -8.889 2.444 1.00 75.02 C ATOM 164 O SER A 13 2.631 -9.500 2.750 1.00 1.11 O ATOM 165 CB SER A 13 2.979 -6.482 2.070 1.00 24.15 C ATOM 166 OG SER A 13 3.766 -5.971 3.147 1.00 51.12 O ATOM 0 H SER A 13 1.909 -8.091 0.337 1.00 54.44 H new ATOM 0 HA SER A 13 4.645 -7.456 1.193 1.00 52.41 H new ATOM 0 HB2 SER A 13 2.864 -5.715 1.304 1.00 24.15 H new ATOM 0 HB3 SER A 13 1.979 -6.725 2.430 1.00 24.15 H new ATOM 0 HG SER A 13 3.479 -6.386 3.987 1.00 51.12 H new ATOM 172 N GLN A 14 4.845 -9.211 2.908 1.00 3.21 N ATOM 173 CA GLN A 14 5.029 -10.322 3.819 1.00 72.11 C ATOM 174 C GLN A 14 5.043 -9.822 5.267 1.00 72.45 C ATOM 175 O GLN A 14 4.820 -10.584 6.216 1.00 71.40 O ATOM 176 CB GLN A 14 6.332 -11.044 3.470 1.00 51.12 C ATOM 177 CG GLN A 14 6.609 -12.295 4.283 1.00 31.52 C ATOM 178 CD GLN A 14 7.893 -12.960 3.863 1.00 12.40 C ATOM 179 OE1 GLN A 14 7.905 -13.810 2.980 1.00 25.05 O ATOM 180 NE2 GLN A 14 8.973 -12.590 4.489 1.00 62.34 N ATOM 0 H GLN A 14 5.704 -8.716 2.669 1.00 3.21 H new ATOM 0 HA GLN A 14 4.201 -11.024 3.719 1.00 72.11 H new ATOM 0 HB2 GLN A 14 6.309 -11.313 2.414 1.00 51.12 H new ATOM 0 HB3 GLN A 14 7.162 -10.350 3.605 1.00 51.12 H new ATOM 0 HG2 GLN A 14 6.662 -12.037 5.341 1.00 31.52 H new ATOM 0 HG3 GLN A 14 5.782 -12.995 4.167 1.00 31.52 H new ATOM 0 HE21 GLN A 14 8.921 -11.879 5.218 1.00 62.34 H new ATOM 0 HE22 GLN A 14 9.871 -13.011 4.250 1.00 62.34 H new ATOM 189 N ARG A 15 5.295 -8.549 5.429 1.00 63.01 N ATOM 190 CA ARG A 15 5.324 -7.934 6.735 1.00 5.01 C ATOM 191 C ARG A 15 4.322 -6.816 6.793 1.00 31.42 C ATOM 192 O ARG A 15 3.729 -6.449 5.780 1.00 32.33 O ATOM 193 CB ARG A 15 6.715 -7.379 7.062 1.00 62.24 C ATOM 194 CG ARG A 15 7.812 -8.411 7.160 1.00 14.13 C ATOM 195 CD ARG A 15 7.540 -9.393 8.273 1.00 41.44 C ATOM 196 NE ARG A 15 7.434 -8.741 9.580 1.00 24.32 N ATOM 197 CZ ARG A 15 7.229 -9.389 10.730 1.00 12.33 C ATOM 198 NH1 ARG A 15 7.114 -10.711 10.740 1.00 64.02 N ATOM 199 NH2 ARG A 15 7.142 -8.716 11.862 1.00 50.41 N ATOM 0 H ARG A 15 5.486 -7.907 4.660 1.00 63.01 H new ATOM 0 HA ARG A 15 5.076 -8.700 7.470 1.00 5.01 H new ATOM 0 HB2 ARG A 15 6.988 -6.653 6.296 1.00 62.24 H new ATOM 0 HB3 ARG A 15 6.660 -6.839 8.007 1.00 62.24 H new ATOM 0 HG2 ARG A 15 7.898 -8.945 6.214 1.00 14.13 H new ATOM 0 HG3 ARG A 15 8.767 -7.915 7.334 1.00 14.13 H new ATOM 0 HD2 ARG A 15 6.615 -9.930 8.062 1.00 41.44 H new ATOM 0 HD3 ARG A 15 8.339 -10.134 8.303 1.00 41.44 H new ATOM 0 HE ARG A 15 7.523 -7.725 9.614 1.00 24.32 H new ATOM 0 HH11 ARG A 15 7.182 -11.235 9.868 1.00 64.02 H new ATOM 0 HH12 ARG A 15 6.958 -11.203 11.620 1.00 64.02 H new ATOM 0 HH21 ARG A 15 7.231 -7.700 11.859 1.00 50.41 H new ATOM 0 HH22 ARG A 15 6.985 -9.212 12.739 1.00 50.41 H new ATOM 213 N LYS A 16 4.130 -6.282 7.959 1.00 0.35 N ATOM 214 CA LYS A 16 3.253 -5.174 8.137 1.00 13.20 C ATOM 215 C LYS A 16 4.048 -3.894 8.135 1.00 2.25 C ATOM 216 O LYS A 16 5.110 -3.792 8.766 1.00 64.42 O ATOM 217 CB LYS A 16 2.373 -5.301 9.402 1.00 72.04 C ATOM 218 CG LYS A 16 1.271 -6.370 9.331 1.00 72.34 C ATOM 219 CD LYS A 16 1.801 -7.790 9.201 1.00 5.41 C ATOM 220 CE LYS A 16 0.667 -8.781 8.993 1.00 54.13 C ATOM 221 NZ LYS A 16 -0.304 -8.768 10.102 1.00 41.54 N ATOM 0 H LYS A 16 4.580 -6.606 8.815 1.00 0.35 H new ATOM 0 HA LYS A 16 2.557 -5.161 7.298 1.00 13.20 H new ATOM 0 HB2 LYS A 16 3.018 -5.523 10.252 1.00 72.04 H new ATOM 0 HB3 LYS A 16 1.907 -4.335 9.599 1.00 72.04 H new ATOM 0 HG2 LYS A 16 0.654 -6.303 10.227 1.00 72.34 H new ATOM 0 HG3 LYS A 16 0.623 -6.155 8.481 1.00 72.34 H new ATOM 0 HD2 LYS A 16 2.496 -7.847 8.363 1.00 5.41 H new ATOM 0 HD3 LYS A 16 2.361 -8.056 10.098 1.00 5.41 H new ATOM 0 HE2 LYS A 16 0.152 -8.549 8.061 1.00 54.13 H new ATOM 0 HE3 LYS A 16 1.080 -9.784 8.888 1.00 54.13 H new ATOM 0 HZ1 LYS A 16 -0.959 -9.570 10.000 1.00 41.54 H new ATOM 0 HZ2 LYS A 16 0.202 -8.847 11.007 1.00 41.54 H new ATOM 0 HZ3 LYS A 16 -0.841 -7.878 10.083 1.00 41.54 H new ATOM 235 N ILE A 17 3.570 -2.950 7.400 1.00 22.31 N ATOM 236 CA ILE A 17 4.223 -1.689 7.254 1.00 14.12 C ATOM 237 C ILE A 17 3.366 -0.622 7.916 1.00 13.41 C ATOM 238 O ILE A 17 2.177 -0.562 7.666 1.00 22.10 O ATOM 239 CB ILE A 17 4.414 -1.360 5.738 1.00 65.51 C ATOM 240 CG1 ILE A 17 5.273 -2.450 5.064 1.00 45.23 C ATOM 241 CG2 ILE A 17 5.036 0.019 5.546 1.00 20.22 C ATOM 242 CD1 ILE A 17 5.505 -2.249 3.580 1.00 1.33 C ATOM 0 H ILE A 17 2.700 -3.031 6.874 1.00 22.31 H new ATOM 0 HA ILE A 17 5.205 -1.721 7.726 1.00 14.12 H new ATOM 0 HB ILE A 17 3.433 -1.345 5.264 1.00 65.51 H new ATOM 0 HG12 ILE A 17 6.240 -2.493 5.566 1.00 45.23 H new ATOM 0 HG13 ILE A 17 4.792 -3.417 5.215 1.00 45.23 H new ATOM 0 HG21 ILE A 17 5.156 0.219 4.481 1.00 20.22 H new ATOM 0 HG22 ILE A 17 4.386 0.776 5.986 1.00 20.22 H new ATOM 0 HG23 ILE A 17 6.011 0.050 6.033 1.00 20.22 H new ATOM 0 HD11 ILE A 17 6.118 -3.063 3.194 1.00 1.33 H new ATOM 0 HD12 ILE A 17 4.547 -2.238 3.060 1.00 1.33 H new ATOM 0 HD13 ILE A 17 6.017 -1.301 3.417 1.00 1.33 H new ATOM 254 N PRO A 18 3.929 0.174 8.829 1.00 52.13 N ATOM 255 CA PRO A 18 3.202 1.274 9.440 1.00 74.21 C ATOM 256 C PRO A 18 3.185 2.504 8.527 1.00 61.12 C ATOM 257 O PRO A 18 4.165 2.778 7.829 1.00 52.53 O ATOM 258 CB PRO A 18 3.996 1.592 10.716 1.00 10.25 C ATOM 259 CG PRO A 18 5.217 0.714 10.700 1.00 12.30 C ATOM 260 CD PRO A 18 5.290 0.048 9.353 1.00 50.14 C ATOM 0 HA PRO A 18 2.161 1.012 9.632 1.00 74.21 H new ATOM 0 HB2 PRO A 18 4.277 2.645 10.744 1.00 10.25 H new ATOM 0 HB3 PRO A 18 3.394 1.400 11.604 1.00 10.25 H new ATOM 0 HG2 PRO A 18 6.114 1.305 10.882 1.00 12.30 H new ATOM 0 HG3 PRO A 18 5.161 -0.033 11.492 1.00 12.30 H new ATOM 0 HD2 PRO A 18 6.016 0.537 8.703 1.00 50.14 H new ATOM 0 HD3 PRO A 18 5.591 -0.996 9.438 1.00 50.14 H new ATOM 268 N ALA A 19 2.087 3.260 8.556 1.00 53.35 N ATOM 269 CA ALA A 19 1.940 4.470 7.719 1.00 32.22 C ATOM 270 C ALA A 19 2.987 5.540 8.030 1.00 53.45 C ATOM 271 O ALA A 19 3.134 6.494 7.286 1.00 50.20 O ATOM 272 CB ALA A 19 0.554 5.067 7.845 1.00 65.32 C ATOM 0 H ALA A 19 1.280 3.062 9.148 1.00 53.35 H new ATOM 0 HA ALA A 19 2.098 4.138 6.693 1.00 32.22 H new ATOM 0 HB1 ALA A 19 0.482 5.955 7.216 1.00 65.32 H new ATOM 0 HB2 ALA A 19 -0.188 4.335 7.526 1.00 65.32 H new ATOM 0 HB3 ALA A 19 0.369 5.342 8.883 1.00 65.32 H new ATOM 278 N LYS A 20 3.699 5.375 9.125 1.00 63.41 N ATOM 279 CA LYS A 20 4.737 6.320 9.525 1.00 73.24 C ATOM 280 C LYS A 20 5.917 6.252 8.583 1.00 33.12 C ATOM 281 O LYS A 20 6.552 7.260 8.288 1.00 13.35 O ATOM 282 CB LYS A 20 5.259 6.051 10.954 1.00 5.42 C ATOM 283 CG LYS A 20 4.269 6.229 12.093 1.00 62.24 C ATOM 284 CD LYS A 20 3.192 5.156 12.146 1.00 52.55 C ATOM 285 CE LYS A 20 2.269 5.379 13.332 1.00 2.54 C ATOM 286 NZ LYS A 20 1.241 4.330 13.438 1.00 34.31 N ATOM 0 H LYS A 20 3.581 4.589 9.764 1.00 63.41 H new ATOM 0 HA LYS A 20 4.273 7.306 9.494 1.00 73.24 H new ATOM 0 HB2 LYS A 20 5.637 5.029 10.990 1.00 5.42 H new ATOM 0 HB3 LYS A 20 6.107 6.712 11.135 1.00 5.42 H new ATOM 0 HG2 LYS A 20 4.813 6.231 13.037 1.00 62.24 H new ATOM 0 HG3 LYS A 20 3.792 7.204 11.998 1.00 62.24 H new ATOM 0 HD2 LYS A 20 2.614 5.168 11.222 1.00 52.55 H new ATOM 0 HD3 LYS A 20 3.655 4.172 12.219 1.00 52.55 H new ATOM 0 HE2 LYS A 20 2.857 5.404 14.249 1.00 2.54 H new ATOM 0 HE3 LYS A 20 1.786 6.351 13.237 1.00 2.54 H new ATOM 0 HZ1 LYS A 20 0.633 4.521 14.260 1.00 34.31 H new ATOM 0 HZ2 LYS A 20 0.662 4.323 12.574 1.00 34.31 H new ATOM 0 HZ3 LYS A 20 1.700 3.404 13.555 1.00 34.31 H new ATOM 300 N VAL A 21 6.203 5.064 8.111 1.00 24.14 N ATOM 301 CA VAL A 21 7.378 4.851 7.279 1.00 23.34 C ATOM 302 C VAL A 21 7.078 4.985 5.790 1.00 73.53 C ATOM 303 O VAL A 21 7.947 4.731 4.949 1.00 23.32 O ATOM 304 CB VAL A 21 8.085 3.498 7.566 1.00 4.12 C ATOM 305 CG1 VAL A 21 8.501 3.397 9.025 1.00 12.31 C ATOM 306 CG2 VAL A 21 7.226 2.316 7.170 1.00 63.23 C ATOM 0 H VAL A 21 5.645 4.228 8.284 1.00 24.14 H new ATOM 0 HA VAL A 21 8.066 5.650 7.555 1.00 23.34 H new ATOM 0 HB VAL A 21 8.984 3.469 6.950 1.00 4.12 H new ATOM 0 HG11 VAL A 21 8.993 2.440 9.198 1.00 12.31 H new ATOM 0 HG12 VAL A 21 9.189 4.208 9.264 1.00 12.31 H new ATOM 0 HG13 VAL A 21 7.619 3.471 9.661 1.00 12.31 H new ATOM 0 HG21 VAL A 21 7.758 1.390 7.388 1.00 63.23 H new ATOM 0 HG22 VAL A 21 6.293 2.339 7.733 1.00 63.23 H new ATOM 0 HG23 VAL A 21 7.007 2.366 6.103 1.00 63.23 H new ATOM 316 N VAL A 22 5.867 5.368 5.460 1.00 35.11 N ATOM 317 CA VAL A 22 5.515 5.625 4.099 1.00 12.20 C ATOM 318 C VAL A 22 5.065 7.061 3.960 1.00 53.11 C ATOM 319 O VAL A 22 4.678 7.695 4.944 1.00 21.40 O ATOM 320 CB VAL A 22 4.440 4.652 3.542 1.00 54.04 C ATOM 321 CG1 VAL A 22 4.953 3.220 3.507 1.00 22.25 C ATOM 322 CG2 VAL A 22 3.159 4.729 4.339 1.00 14.53 C ATOM 0 H VAL A 22 5.109 5.507 6.128 1.00 35.11 H new ATOM 0 HA VAL A 22 6.407 5.452 3.497 1.00 12.20 H new ATOM 0 HB VAL A 22 4.225 4.964 2.520 1.00 54.04 H new ATOM 0 HG11 VAL A 22 4.176 2.565 3.112 1.00 22.25 H new ATOM 0 HG12 VAL A 22 5.834 3.165 2.868 1.00 22.25 H new ATOM 0 HG13 VAL A 22 5.217 2.903 4.516 1.00 22.25 H new ATOM 0 HG21 VAL A 22 2.429 4.035 3.922 1.00 14.53 H new ATOM 0 HG22 VAL A 22 3.360 4.464 5.377 1.00 14.53 H new ATOM 0 HG23 VAL A 22 2.763 5.743 4.294 1.00 14.53 H new ATOM 332 N ARG A 23 5.142 7.580 2.774 1.00 4.51 N ATOM 333 CA ARG A 23 4.778 8.907 2.516 1.00 33.24 C ATOM 334 C ARG A 23 3.298 8.992 2.218 1.00 64.13 C ATOM 335 O ARG A 23 2.557 9.718 2.876 1.00 74.25 O ATOM 336 CB ARG A 23 5.562 9.404 1.333 1.00 12.43 C ATOM 337 CG ARG A 23 5.302 10.831 1.048 1.00 52.21 C ATOM 338 CD ARG A 23 6.041 11.279 -0.168 1.00 61.25 C ATOM 339 NE ARG A 23 5.825 12.705 -0.451 1.00 4.24 N ATOM 340 CZ ARG A 23 4.953 13.196 -1.350 1.00 74.11 C ATOM 341 NH1 ARG A 23 4.195 12.375 -2.066 1.00 71.41 N ATOM 342 NH2 ARG A 23 4.856 14.508 -1.540 1.00 35.23 N ATOM 0 H ARG A 23 5.468 7.069 1.953 1.00 4.51 H new ATOM 0 HA ARG A 23 4.994 9.521 3.391 1.00 33.24 H new ATOM 0 HB2 ARG A 23 6.626 9.261 1.519 1.00 12.43 H new ATOM 0 HB3 ARG A 23 5.309 8.808 0.456 1.00 12.43 H new ATOM 0 HG2 ARG A 23 4.233 10.988 0.906 1.00 52.21 H new ATOM 0 HG3 ARG A 23 5.602 11.436 1.903 1.00 52.21 H new ATOM 0 HD2 ARG A 23 7.107 11.094 -0.033 1.00 61.25 H new ATOM 0 HD3 ARG A 23 5.721 10.687 -1.025 1.00 61.25 H new ATOM 0 HE ARG A 23 6.382 13.377 0.077 1.00 4.24 H new ATOM 0 HH11 ARG A 23 4.272 11.366 -1.936 1.00 71.41 H new ATOM 0 HH12 ARG A 23 3.535 12.753 -2.746 1.00 71.41 H new ATOM 0 HH21 ARG A 23 5.444 15.146 -1.003 1.00 35.23 H new ATOM 0 HH22 ARG A 23 4.194 14.877 -2.222 1.00 35.23 H new ATOM 356 N SER A 24 2.874 8.247 1.226 1.00 64.23 N ATOM 357 CA SER A 24 1.508 8.257 0.761 1.00 61.24 C ATOM 358 C SER A 24 1.252 6.939 0.052 1.00 23.20 C ATOM 359 O SER A 24 2.179 6.115 -0.068 1.00 62.31 O ATOM 360 CB SER A 24 1.328 9.430 -0.227 1.00 13.42 C ATOM 361 OG SER A 24 1.682 10.669 0.386 1.00 4.41 O ATOM 0 H SER A 24 3.478 7.606 0.711 1.00 64.23 H new ATOM 0 HA SER A 24 0.810 8.379 1.589 1.00 61.24 H new ATOM 0 HB2 SER A 24 1.947 9.266 -1.109 1.00 13.42 H new ATOM 0 HB3 SER A 24 0.293 9.470 -0.566 1.00 13.42 H new ATOM 0 HG SER A 24 1.562 11.398 -0.258 1.00 4.41 H new ATOM 367 N TYR A 25 0.042 6.729 -0.411 1.00 73.02 N ATOM 368 CA TYR A 25 -0.265 5.542 -1.166 1.00 52.22 C ATOM 369 C TYR A 25 -0.756 5.923 -2.548 1.00 12.32 C ATOM 370 O TYR A 25 -1.034 7.097 -2.817 1.00 1.15 O ATOM 371 CB TYR A 25 -1.267 4.607 -0.441 1.00 4.55 C ATOM 372 CG TYR A 25 -2.646 5.186 -0.166 1.00 25.42 C ATOM 373 CD1 TYR A 25 -2.896 5.891 0.986 1.00 15.13 C ATOM 374 CD2 TYR A 25 -3.692 5.003 -1.056 1.00 51.45 C ATOM 375 CE1 TYR A 25 -4.143 6.410 1.257 1.00 42.31 C ATOM 376 CE2 TYR A 25 -4.945 5.512 -0.795 1.00 15.25 C ATOM 377 CZ TYR A 25 -5.164 6.220 0.367 1.00 32.21 C ATOM 378 OH TYR A 25 -6.415 6.728 0.640 1.00 43.33 O ATOM 0 H TYR A 25 -0.744 7.365 -0.277 1.00 73.02 H new ATOM 0 HA TYR A 25 0.656 4.967 -1.263 1.00 52.22 H new ATOM 0 HB2 TYR A 25 -1.388 3.704 -1.039 1.00 4.55 H new ATOM 0 HB3 TYR A 25 -0.827 4.304 0.509 1.00 4.55 H new ATOM 0 HD1 TYR A 25 -2.096 6.042 1.696 1.00 15.13 H new ATOM 0 HD2 TYR A 25 -3.522 4.452 -1.969 1.00 51.45 H new ATOM 0 HE1 TYR A 25 -4.314 6.964 2.168 1.00 42.31 H new ATOM 0 HE2 TYR A 25 -5.751 5.357 -1.497 1.00 15.25 H new ATOM 0 HH TYR A 25 -7.025 6.506 -0.094 1.00 43.33 H new ATOM 388 N ARG A 26 -0.857 4.960 -3.406 1.00 30.23 N ATOM 389 CA ARG A 26 -1.267 5.182 -4.758 1.00 64.33 C ATOM 390 C ARG A 26 -2.423 4.250 -5.071 1.00 1.04 C ATOM 391 O ARG A 26 -2.377 3.054 -4.742 1.00 65.21 O ATOM 392 CB ARG A 26 -0.019 5.046 -5.701 1.00 72.31 C ATOM 393 CG ARG A 26 -0.228 5.242 -7.208 1.00 44.31 C ATOM 394 CD ARG A 26 -0.958 4.087 -7.851 1.00 61.54 C ATOM 395 NE ARG A 26 -1.106 4.256 -9.303 1.00 25.20 N ATOM 396 CZ ARG A 26 -1.365 3.260 -10.164 1.00 33.32 C ATOM 397 NH1 ARG A 26 -1.423 2.002 -9.739 1.00 33.34 N ATOM 398 NH2 ARG A 26 -1.546 3.527 -11.452 1.00 12.13 N ATOM 0 H ARG A 26 -0.655 3.985 -3.187 1.00 30.23 H new ATOM 0 HA ARG A 26 -1.644 6.192 -4.921 1.00 64.33 H new ATOM 0 HB2 ARG A 26 0.728 5.768 -5.371 1.00 72.31 H new ATOM 0 HB3 ARG A 26 0.407 4.054 -5.550 1.00 72.31 H new ATOM 0 HG2 ARG A 26 -0.790 6.160 -7.376 1.00 44.31 H new ATOM 0 HG3 ARG A 26 0.741 5.368 -7.691 1.00 44.31 H new ATOM 0 HD2 ARG A 26 -0.418 3.162 -7.649 1.00 61.54 H new ATOM 0 HD3 ARG A 26 -1.944 3.986 -7.397 1.00 61.54 H new ATOM 0 HE ARG A 26 -1.005 5.197 -9.683 1.00 25.20 H new ATOM 0 HH11 ARG A 26 -1.270 1.789 -8.753 1.00 33.34 H new ATOM 0 HH12 ARG A 26 -1.620 1.249 -10.399 1.00 33.34 H new ATOM 0 HH21 ARG A 26 -1.488 4.489 -11.786 1.00 12.13 H new ATOM 0 HH22 ARG A 26 -1.743 2.770 -12.107 1.00 12.13 H new ATOM 412 N LYS A 27 -3.449 4.803 -5.688 1.00 61.41 N ATOM 413 CA LYS A 27 -4.691 4.101 -5.956 1.00 52.34 C ATOM 414 C LYS A 27 -4.670 3.316 -7.225 1.00 43.14 C ATOM 415 O LYS A 27 -4.094 3.723 -8.233 1.00 70.22 O ATOM 416 CB LYS A 27 -5.870 5.064 -5.984 1.00 30.42 C ATOM 417 CG LYS A 27 -6.284 5.604 -4.635 1.00 65.22 C ATOM 418 CD LYS A 27 -6.937 4.538 -3.751 1.00 0.23 C ATOM 419 CE LYS A 27 -8.238 4.013 -4.364 1.00 10.51 C ATOM 420 NZ LYS A 27 -8.896 3.014 -3.500 1.00 1.14 N ATOM 0 H LYS A 27 -3.444 5.767 -6.022 1.00 61.41 H new ATOM 0 HA LYS A 27 -4.805 3.393 -5.135 1.00 52.34 H new ATOM 0 HB2 LYS A 27 -5.620 5.903 -6.633 1.00 30.42 H new ATOM 0 HB3 LYS A 27 -6.724 4.557 -6.433 1.00 30.42 H new ATOM 0 HG2 LYS A 27 -5.409 6.008 -4.125 1.00 65.22 H new ATOM 0 HG3 LYS A 27 -6.981 6.430 -4.776 1.00 65.22 H new ATOM 0 HD2 LYS A 27 -6.243 3.710 -3.606 1.00 0.23 H new ATOM 0 HD3 LYS A 27 -7.142 4.958 -2.766 1.00 0.23 H new ATOM 0 HE2 LYS A 27 -8.919 4.846 -4.537 1.00 10.51 H new ATOM 0 HE3 LYS A 27 -8.026 3.568 -5.336 1.00 10.51 H new ATOM 0 HZ1 LYS A 27 -9.772 2.686 -3.954 1.00 1.14 H new ATOM 0 HZ2 LYS A 27 -8.258 2.206 -3.355 1.00 1.14 H new ATOM 0 HZ3 LYS A 27 -9.122 3.445 -2.581 1.00 1.14 H new ATOM 434 N GLN A 28 -5.300 2.203 -7.154 1.00 15.13 N ATOM 435 CA GLN A 28 -5.465 1.319 -8.266 1.00 61.25 C ATOM 436 C GLN A 28 -6.894 0.853 -8.283 1.00 60.32 C ATOM 437 O GLN A 28 -7.330 0.129 -7.370 1.00 33.13 O ATOM 438 CB GLN A 28 -4.599 0.082 -8.147 1.00 75.31 C ATOM 439 CG GLN A 28 -4.772 -0.840 -9.342 1.00 44.43 C ATOM 440 CD GLN A 28 -4.365 -2.250 -9.054 1.00 73.14 C ATOM 441 OE1 GLN A 28 -3.216 -2.641 -9.236 1.00 43.53 O ATOM 442 NE2 GLN A 28 -5.326 -3.031 -8.614 1.00 2.13 N ATOM 0 H GLN A 28 -5.733 1.863 -6.295 1.00 15.13 H new ATOM 0 HA GLN A 28 -5.184 1.862 -9.168 1.00 61.25 H new ATOM 0 HB2 GLN A 28 -3.553 0.376 -8.063 1.00 75.31 H new ATOM 0 HB3 GLN A 28 -4.854 -0.455 -7.233 1.00 75.31 H new ATOM 0 HG2 GLN A 28 -5.815 -0.826 -9.657 1.00 44.43 H new ATOM 0 HG3 GLN A 28 -4.182 -0.460 -10.176 1.00 44.43 H new ATOM 0 HE21 GLN A 28 -6.265 -2.657 -8.479 1.00 2.13 H new ATOM 0 HE22 GLN A 28 -5.132 -4.011 -8.407 1.00 2.13 H new ATOM 451 N GLU A 29 -7.615 1.238 -9.276 1.00 50.44 N ATOM 452 CA GLU A 29 -8.962 0.816 -9.384 1.00 31.41 C ATOM 453 C GLU A 29 -9.046 -0.372 -10.324 1.00 12.12 C ATOM 454 O GLU A 29 -8.509 -0.323 -11.441 1.00 72.31 O ATOM 455 CB GLU A 29 -9.863 1.961 -9.830 1.00 42.43 C ATOM 456 CG GLU A 29 -9.830 3.135 -8.867 1.00 54.42 C ATOM 457 CD GLU A 29 -10.845 4.182 -9.188 1.00 74.11 C ATOM 458 OE1 GLU A 29 -12.009 4.028 -8.771 1.00 50.23 O ATOM 459 OE2 GLU A 29 -10.504 5.183 -9.856 1.00 43.43 O ATOM 0 H GLU A 29 -7.291 1.847 -10.027 1.00 50.44 H new ATOM 0 HA GLU A 29 -9.320 0.503 -8.403 1.00 31.41 H new ATOM 0 HB2 GLU A 29 -9.554 2.298 -10.820 1.00 42.43 H new ATOM 0 HB3 GLU A 29 -10.887 1.599 -9.922 1.00 42.43 H new ATOM 0 HG2 GLU A 29 -9.999 2.771 -7.854 1.00 54.42 H new ATOM 0 HG3 GLU A 29 -8.836 3.583 -8.883 1.00 54.42 H new ATOM 466 N PRO A 30 -9.675 -1.479 -9.887 1.00 54.12 N ATOM 467 CA PRO A 30 -9.818 -2.673 -10.702 1.00 23.21 C ATOM 468 C PRO A 30 -10.920 -2.494 -11.752 1.00 2.21 C ATOM 469 O PRO A 30 -12.049 -2.986 -11.594 1.00 34.41 O ATOM 470 CB PRO A 30 -10.190 -3.781 -9.687 1.00 33.42 C ATOM 471 CG PRO A 30 -10.201 -3.128 -8.346 1.00 33.21 C ATOM 472 CD PRO A 30 -10.299 -1.654 -8.571 1.00 14.34 C ATOM 0 HA PRO A 30 -8.912 -2.908 -11.261 1.00 23.21 H new ATOM 0 HB2 PRO A 30 -11.165 -4.211 -9.919 1.00 33.42 H new ATOM 0 HB3 PRO A 30 -9.467 -4.596 -9.718 1.00 33.42 H new ATOM 0 HG2 PRO A 30 -11.043 -3.483 -7.752 1.00 33.21 H new ATOM 0 HG3 PRO A 30 -9.295 -3.373 -7.792 1.00 33.21 H new ATOM 0 HD2 PRO A 30 -11.334 -1.313 -8.567 1.00 14.34 H new ATOM 0 HD3 PRO A 30 -9.775 -1.092 -7.798 1.00 14.34 H new ATOM 480 N SER A 31 -10.617 -1.724 -12.768 1.00 21.03 N ATOM 481 CA SER A 31 -11.578 -1.416 -13.796 1.00 5.31 C ATOM 482 C SER A 31 -11.146 -1.957 -15.168 1.00 20.24 C ATOM 483 O SER A 31 -11.983 -2.342 -15.981 1.00 22.54 O ATOM 484 CB SER A 31 -11.799 0.103 -13.848 1.00 31.54 C ATOM 485 OG SER A 31 -12.838 0.455 -14.742 1.00 73.22 O ATOM 0 H SER A 31 -9.702 -1.295 -12.905 1.00 21.03 H new ATOM 0 HA SER A 31 -12.517 -1.910 -13.547 1.00 5.31 H new ATOM 0 HB2 SER A 31 -12.039 0.469 -12.850 1.00 31.54 H new ATOM 0 HB3 SER A 31 -10.875 0.594 -14.154 1.00 31.54 H new ATOM 0 HG SER A 31 -12.950 1.429 -14.747 1.00 73.22 H new ATOM 491 N LEU A 32 -9.841 -2.007 -15.409 1.00 32.22 N ATOM 492 CA LEU A 32 -9.329 -2.390 -16.722 1.00 41.12 C ATOM 493 C LEU A 32 -9.581 -3.877 -16.986 1.00 15.52 C ATOM 494 O LEU A 32 -10.173 -4.241 -18.009 1.00 51.43 O ATOM 495 CB LEU A 32 -7.819 -1.990 -16.841 1.00 43.33 C ATOM 496 CG LEU A 32 -7.087 -2.145 -18.214 1.00 21.54 C ATOM 497 CD1 LEU A 32 -6.882 -3.598 -18.628 1.00 74.03 C ATOM 498 CD2 LEU A 32 -7.819 -1.375 -19.306 1.00 41.31 C ATOM 0 H LEU A 32 -9.122 -1.789 -14.719 1.00 32.22 H new ATOM 0 HA LEU A 32 -9.866 -1.847 -17.500 1.00 41.12 H new ATOM 0 HB2 LEU A 32 -7.733 -0.946 -16.541 1.00 43.33 H new ATOM 0 HB3 LEU A 32 -7.267 -2.578 -16.108 1.00 43.33 H new ATOM 0 HG LEU A 32 -6.093 -1.719 -18.079 1.00 21.54 H new ATOM 0 HD11 LEU A 32 -6.369 -3.634 -19.589 1.00 74.03 H new ATOM 0 HD12 LEU A 32 -6.280 -4.109 -17.876 1.00 74.03 H new ATOM 0 HD13 LEU A 32 -7.850 -4.092 -18.715 1.00 74.03 H new ATOM 0 HD21 LEU A 32 -7.292 -1.497 -20.253 1.00 41.31 H new ATOM 0 HD22 LEU A 32 -8.834 -1.759 -19.404 1.00 41.31 H new ATOM 0 HD23 LEU A 32 -7.855 -0.318 -19.044 1.00 41.31 H new ATOM 510 N GLY A 33 -9.163 -4.721 -16.078 1.00 52.04 N ATOM 511 CA GLY A 33 -9.409 -6.130 -16.255 1.00 51.42 C ATOM 512 C GLY A 33 -8.864 -6.978 -15.134 1.00 15.11 C ATOM 513 O GLY A 33 -8.239 -8.018 -15.381 1.00 72.13 O ATOM 0 H GLY A 33 -8.662 -4.467 -15.227 1.00 52.04 H new ATOM 0 HA2 GLY A 33 -10.483 -6.296 -16.337 1.00 51.42 H new ATOM 0 HA3 GLY A 33 -8.963 -6.454 -17.195 1.00 51.42 H new ATOM 517 N CYS A 34 -9.055 -6.535 -13.915 1.00 13.34 N ATOM 518 CA CYS A 34 -8.644 -7.302 -12.766 1.00 3.01 C ATOM 519 C CYS A 34 -9.695 -7.215 -11.673 1.00 75.54 C ATOM 520 O CYS A 34 -10.397 -6.204 -11.561 1.00 23.52 O ATOM 521 CB CYS A 34 -7.275 -6.868 -12.257 1.00 65.51 C ATOM 522 SG CYS A 34 -7.147 -5.131 -11.710 1.00 53.42 S ATOM 0 H CYS A 34 -9.495 -5.642 -13.693 1.00 13.34 H new ATOM 0 HA CYS A 34 -8.550 -8.344 -13.072 1.00 3.01 H new ATOM 0 HB2 CYS A 34 -6.996 -7.513 -11.424 1.00 65.51 H new ATOM 0 HB3 CYS A 34 -6.544 -7.035 -13.048 1.00 65.51 H new ATOM 527 N SER A 35 -9.841 -8.260 -10.911 1.00 42.13 N ATOM 528 CA SER A 35 -10.821 -8.286 -9.860 1.00 2.05 C ATOM 529 C SER A 35 -10.258 -7.804 -8.508 1.00 21.23 C ATOM 530 O SER A 35 -11.023 -7.496 -7.584 1.00 0.22 O ATOM 531 CB SER A 35 -11.403 -9.684 -9.744 1.00 12.00 C ATOM 532 OG SER A 35 -11.974 -10.093 -10.985 1.00 41.32 O ATOM 0 H SER A 35 -9.289 -9.113 -10.998 1.00 42.13 H new ATOM 0 HA SER A 35 -11.612 -7.584 -10.124 1.00 2.05 H new ATOM 0 HB2 SER A 35 -10.623 -10.385 -9.447 1.00 12.00 H new ATOM 0 HB3 SER A 35 -12.163 -9.704 -8.963 1.00 12.00 H new ATOM 0 HG SER A 35 -12.343 -10.996 -10.893 1.00 41.32 H new ATOM 538 N ILE A 36 -8.934 -7.730 -8.387 1.00 4.35 N ATOM 539 CA ILE A 36 -8.333 -7.392 -7.105 1.00 42.51 C ATOM 540 C ILE A 36 -7.650 -6.005 -7.121 1.00 22.14 C ATOM 541 O ILE A 36 -6.747 -5.745 -7.931 1.00 42.40 O ATOM 542 CB ILE A 36 -7.313 -8.488 -6.583 1.00 62.54 C ATOM 543 CG1 ILE A 36 -7.979 -9.870 -6.344 1.00 61.23 C ATOM 544 CG2 ILE A 36 -6.625 -8.034 -5.311 1.00 11.21 C ATOM 545 CD1 ILE A 36 -8.411 -10.621 -7.583 1.00 44.22 C ATOM 0 H ILE A 36 -8.272 -7.896 -9.145 1.00 4.35 H new ATOM 0 HA ILE A 36 -9.169 -7.359 -6.406 1.00 42.51 H new ATOM 0 HB ILE A 36 -6.575 -8.608 -7.376 1.00 62.54 H new ATOM 0 HG12 ILE A 36 -7.281 -10.496 -5.789 1.00 61.23 H new ATOM 0 HG13 ILE A 36 -8.852 -9.725 -5.708 1.00 61.23 H new ATOM 0 HG21 ILE A 36 -5.932 -8.806 -4.977 1.00 11.21 H new ATOM 0 HG22 ILE A 36 -6.076 -7.112 -5.503 1.00 11.21 H new ATOM 0 HG23 ILE A 36 -7.372 -7.857 -4.537 1.00 11.21 H new ATOM 0 HD11 ILE A 36 -8.862 -11.570 -7.294 1.00 44.22 H new ATOM 0 HD12 ILE A 36 -9.139 -10.026 -8.134 1.00 44.22 H new ATOM 0 HD13 ILE A 36 -7.543 -10.809 -8.215 1.00 44.22 H new ATOM 557 N PRO A 37 -8.109 -5.084 -6.240 1.00 42.50 N ATOM 558 CA PRO A 37 -7.499 -3.764 -6.060 1.00 1.51 C ATOM 559 C PRO A 37 -6.163 -3.858 -5.331 1.00 60.40 C ATOM 560 O PRO A 37 -5.851 -4.873 -4.680 1.00 73.12 O ATOM 561 CB PRO A 37 -8.511 -3.008 -5.199 1.00 63.21 C ATOM 562 CG PRO A 37 -9.219 -4.069 -4.449 1.00 62.14 C ATOM 563 CD PRO A 37 -9.288 -5.255 -5.371 1.00 33.20 C ATOM 0 HA PRO A 37 -7.289 -3.278 -7.013 1.00 1.51 H new ATOM 0 HB2 PRO A 37 -8.016 -2.308 -4.526 1.00 63.21 H new ATOM 0 HB3 PRO A 37 -9.200 -2.427 -5.812 1.00 63.21 H new ATOM 0 HG2 PRO A 37 -8.687 -4.319 -3.531 1.00 62.14 H new ATOM 0 HG3 PRO A 37 -10.218 -3.742 -4.159 1.00 62.14 H new ATOM 0 HD2 PRO A 37 -9.248 -6.195 -4.820 1.00 33.20 H new ATOM 0 HD3 PRO A 37 -10.213 -5.263 -5.947 1.00 33.20 H new ATOM 571 N ALA A 38 -5.388 -2.816 -5.427 1.00 13.24 N ATOM 572 CA ALA A 38 -4.082 -2.804 -4.839 1.00 23.21 C ATOM 573 C ALA A 38 -3.773 -1.456 -4.235 1.00 50.14 C ATOM 574 O ALA A 38 -4.247 -0.429 -4.720 1.00 54.22 O ATOM 575 CB ALA A 38 -3.050 -3.138 -5.893 1.00 74.02 C ATOM 0 H ALA A 38 -5.643 -1.956 -5.912 1.00 13.24 H new ATOM 0 HA ALA A 38 -4.054 -3.550 -4.045 1.00 23.21 H new ATOM 0 HB1 ALA A 38 -2.056 -3.129 -5.445 1.00 74.02 H new ATOM 0 HB2 ALA A 38 -3.255 -4.128 -6.302 1.00 74.02 H new ATOM 0 HB3 ALA A 38 -3.094 -2.399 -6.693 1.00 74.02 H new ATOM 581 N ILE A 39 -3.017 -1.466 -3.174 1.00 43.25 N ATOM 582 CA ILE A 39 -2.546 -0.258 -2.550 1.00 3.44 C ATOM 583 C ILE A 39 -1.058 -0.183 -2.693 1.00 14.10 C ATOM 584 O ILE A 39 -0.330 -1.015 -2.180 1.00 54.31 O ATOM 585 CB ILE A 39 -2.993 -0.140 -1.061 1.00 63.25 C ATOM 586 CG1 ILE A 39 -4.477 0.200 -0.987 1.00 5.32 C ATOM 587 CG2 ILE A 39 -2.181 0.908 -0.297 1.00 44.32 C ATOM 588 CD1 ILE A 39 -4.801 1.592 -1.494 1.00 52.21 C ATOM 0 H ILE A 39 -2.706 -2.320 -2.712 1.00 43.25 H new ATOM 0 HA ILE A 39 -2.999 0.593 -3.058 1.00 3.44 H new ATOM 0 HB ILE A 39 -2.812 -1.105 -0.589 1.00 63.25 H new ATOM 0 HG12 ILE A 39 -5.039 -0.531 -1.569 1.00 5.32 H new ATOM 0 HG13 ILE A 39 -4.812 0.111 0.046 1.00 5.32 H new ATOM 0 HG21 ILE A 39 -2.528 0.955 0.735 1.00 44.32 H new ATOM 0 HG22 ILE A 39 -1.126 0.634 -0.314 1.00 44.32 H new ATOM 0 HG23 ILE A 39 -2.310 1.883 -0.768 1.00 44.32 H new ATOM 0 HD11 ILE A 39 -5.874 1.768 -1.413 1.00 52.21 H new ATOM 0 HD12 ILE A 39 -4.266 2.330 -0.897 1.00 52.21 H new ATOM 0 HD13 ILE A 39 -4.497 1.679 -2.537 1.00 52.21 H new ATOM 600 N LEU A 40 -0.629 0.780 -3.434 1.00 22.24 N ATOM 601 CA LEU A 40 0.760 0.977 -3.696 1.00 54.43 C ATOM 602 C LEU A 40 1.359 1.910 -2.657 1.00 44.52 C ATOM 603 O LEU A 40 0.862 3.008 -2.448 1.00 50.50 O ATOM 604 CB LEU A 40 0.963 1.540 -5.119 1.00 13.12 C ATOM 605 CG LEU A 40 0.677 0.610 -6.335 1.00 52.42 C ATOM 606 CD1 LEU A 40 1.585 -0.592 -6.341 1.00 53.11 C ATOM 607 CD2 LEU A 40 -0.776 0.172 -6.403 1.00 33.10 C ATOM 0 H LEU A 40 -1.239 1.463 -3.882 1.00 22.24 H new ATOM 0 HA LEU A 40 1.271 0.016 -3.634 1.00 54.43 H new ATOM 0 HB2 LEU A 40 0.330 2.421 -5.220 1.00 13.12 H new ATOM 0 HB3 LEU A 40 1.996 1.879 -5.197 1.00 13.12 H new ATOM 0 HG LEU A 40 0.884 1.205 -7.225 1.00 52.42 H new ATOM 0 HD11 LEU A 40 1.355 -1.217 -7.204 1.00 53.11 H new ATOM 0 HD12 LEU A 40 2.623 -0.264 -6.397 1.00 53.11 H new ATOM 0 HD13 LEU A 40 1.435 -1.166 -5.427 1.00 53.11 H new ATOM 0 HD21 LEU A 40 -0.921 -0.474 -7.269 1.00 33.10 H new ATOM 0 HD22 LEU A 40 -1.034 -0.374 -5.495 1.00 33.10 H new ATOM 0 HD23 LEU A 40 -1.417 1.049 -6.494 1.00 33.10 H new ATOM 619 N PHE A 41 2.398 1.462 -2.011 1.00 60.21 N ATOM 620 CA PHE A 41 3.077 2.223 -0.990 1.00 63.45 C ATOM 621 C PHE A 41 4.267 2.971 -1.550 1.00 11.23 C ATOM 622 O PHE A 41 5.076 2.404 -2.296 1.00 10.11 O ATOM 623 CB PHE A 41 3.612 1.314 0.136 1.00 31.14 C ATOM 624 CG PHE A 41 2.607 0.622 1.013 1.00 33.30 C ATOM 625 CD1 PHE A 41 1.362 1.183 1.315 1.00 23.55 C ATOM 626 CD2 PHE A 41 2.936 -0.593 1.574 1.00 71.14 C ATOM 627 CE1 PHE A 41 0.487 0.510 2.156 1.00 12.51 C ATOM 628 CE2 PHE A 41 2.069 -1.251 2.403 1.00 74.40 C ATOM 629 CZ PHE A 41 0.844 -0.701 2.694 1.00 21.01 C ATOM 0 H PHE A 41 2.807 0.543 -2.179 1.00 60.21 H new ATOM 0 HA PHE A 41 2.335 2.920 -0.600 1.00 63.45 H new ATOM 0 HB2 PHE A 41 4.241 0.550 -0.321 1.00 31.14 H new ATOM 0 HB3 PHE A 41 4.256 1.917 0.776 1.00 31.14 H new ATOM 0 HD1 PHE A 41 1.082 2.138 0.895 1.00 23.55 H new ATOM 0 HD2 PHE A 41 3.897 -1.034 1.355 1.00 71.14 H new ATOM 0 HE1 PHE A 41 -0.476 0.940 2.387 1.00 12.51 H new ATOM 0 HE2 PHE A 41 2.348 -2.203 2.829 1.00 74.40 H new ATOM 0 HZ PHE A 41 0.161 -1.223 3.348 1.00 21.01 H new ATOM 639 N LEU A 42 4.353 4.241 -1.208 1.00 65.34 N ATOM 640 CA LEU A 42 5.527 5.045 -1.472 1.00 11.14 C ATOM 641 C LEU A 42 6.259 5.204 -0.140 1.00 1.12 C ATOM 642 O LEU A 42 5.846 6.010 0.701 1.00 54.24 O ATOM 643 CB LEU A 42 5.174 6.445 -2.043 1.00 50.14 C ATOM 644 CG LEU A 42 4.468 6.511 -3.419 1.00 61.04 C ATOM 645 CD1 LEU A 42 3.047 5.961 -3.380 1.00 32.42 C ATOM 646 CD2 LEU A 42 4.485 7.930 -3.960 1.00 52.23 C ATOM 0 H LEU A 42 3.604 4.747 -0.736 1.00 65.34 H new ATOM 0 HA LEU A 42 6.141 4.551 -2.225 1.00 11.14 H new ATOM 0 HB2 LEU A 42 4.538 6.951 -1.317 1.00 50.14 H new ATOM 0 HB3 LEU A 42 6.098 7.020 -2.114 1.00 50.14 H new ATOM 0 HG LEU A 42 5.031 5.868 -4.095 1.00 61.04 H new ATOM 0 HD11 LEU A 42 2.602 6.033 -4.372 1.00 32.42 H new ATOM 0 HD12 LEU A 42 3.069 4.917 -3.067 1.00 32.42 H new ATOM 0 HD13 LEU A 42 2.452 6.539 -2.673 1.00 32.42 H new ATOM 0 HD21 LEU A 42 3.984 7.956 -4.928 1.00 52.23 H new ATOM 0 HD22 LEU A 42 3.967 8.591 -3.265 1.00 52.23 H new ATOM 0 HD23 LEU A 42 5.516 8.263 -4.076 1.00 52.23 H new ATOM 658 N PRO A 43 7.309 4.414 0.101 1.00 45.44 N ATOM 659 CA PRO A 43 7.988 4.378 1.390 1.00 73.22 C ATOM 660 C PRO A 43 9.074 5.445 1.585 1.00 41.24 C ATOM 661 O PRO A 43 9.581 6.035 0.627 1.00 51.13 O ATOM 662 CB PRO A 43 8.610 2.985 1.394 1.00 54.21 C ATOM 663 CG PRO A 43 8.937 2.713 -0.037 1.00 71.12 C ATOM 664 CD PRO A 43 7.926 3.480 -0.868 1.00 14.44 C ATOM 0 HA PRO A 43 7.290 4.586 2.201 1.00 73.22 H new ATOM 0 HB2 PRO A 43 9.503 2.952 2.018 1.00 54.21 H new ATOM 0 HB3 PRO A 43 7.917 2.243 1.790 1.00 54.21 H new ATOM 0 HG2 PRO A 43 9.952 3.034 -0.270 1.00 71.12 H new ATOM 0 HG3 PRO A 43 8.883 1.645 -0.250 1.00 71.12 H new ATOM 0 HD2 PRO A 43 8.405 4.014 -1.689 1.00 14.44 H new ATOM 0 HD3 PRO A 43 7.184 2.815 -1.310 1.00 14.44 H new ATOM 672 N ARG A 44 9.400 5.689 2.861 1.00 5.35 N ATOM 673 CA ARG A 44 10.478 6.575 3.266 1.00 15.22 C ATOM 674 C ARG A 44 11.813 5.908 2.949 1.00 70.11 C ATOM 675 O ARG A 44 12.834 6.569 2.776 1.00 41.24 O ATOM 676 CB ARG A 44 10.375 6.831 4.779 1.00 34.32 C ATOM 677 CG ARG A 44 11.423 7.767 5.350 1.00 32.23 C ATOM 678 CD ARG A 44 11.279 9.168 4.795 1.00 70.10 C ATOM 679 NE ARG A 44 12.269 10.102 5.338 1.00 64.31 N ATOM 680 CZ ARG A 44 12.092 11.430 5.406 1.00 44.22 C ATOM 681 NH1 ARG A 44 10.926 11.970 5.040 1.00 40.13 N ATOM 682 NH2 ARG A 44 13.067 12.213 5.854 1.00 32.42 N ATOM 0 H ARG A 44 8.908 5.265 3.648 1.00 5.35 H new ATOM 0 HA ARG A 44 10.407 7.522 2.731 1.00 15.22 H new ATOM 0 HB2 ARG A 44 9.389 7.241 4.995 1.00 34.32 H new ATOM 0 HB3 ARG A 44 10.444 5.875 5.298 1.00 34.32 H new ATOM 0 HG2 ARG A 44 11.335 7.794 6.436 1.00 32.23 H new ATOM 0 HG3 ARG A 44 12.417 7.384 5.121 1.00 32.23 H new ATOM 0 HD2 ARG A 44 11.375 9.135 3.710 1.00 70.10 H new ATOM 0 HD3 ARG A 44 10.278 9.539 5.015 1.00 70.10 H new ATOM 0 HE ARG A 44 13.148 9.718 5.686 1.00 64.31 H new ATOM 0 HH11 ARG A 44 10.169 11.372 4.708 1.00 40.13 H new ATOM 0 HH12 ARG A 44 10.793 12.980 5.092 1.00 40.13 H new ATOM 0 HH21 ARG A 44 13.954 11.805 6.148 1.00 32.42 H new ATOM 0 HH22 ARG A 44 12.928 13.222 5.904 1.00 32.42 H new ATOM 696 N LYS A 45 11.777 4.586 2.886 1.00 55.33 N ATOM 697 CA LYS A 45 12.942 3.788 2.577 1.00 61.35 C ATOM 698 C LYS A 45 13.397 4.018 1.158 1.00 13.23 C ATOM 699 O LYS A 45 12.626 4.499 0.319 1.00 22.23 O ATOM 700 CB LYS A 45 12.686 2.301 2.811 1.00 24.43 C ATOM 701 CG LYS A 45 12.618 1.841 4.278 1.00 10.20 C ATOM 702 CD LYS A 45 11.480 2.479 5.065 1.00 64.15 C ATOM 703 CE LYS A 45 11.475 2.005 6.512 1.00 74.01 C ATOM 704 NZ LYS A 45 12.748 2.310 7.202 1.00 23.44 N ATOM 0 H LYS A 45 10.932 4.039 3.049 1.00 55.33 H new ATOM 0 HA LYS A 45 13.735 4.106 3.254 1.00 61.35 H new ATOM 0 HB2 LYS A 45 11.747 2.036 2.326 1.00 24.43 H new ATOM 0 HB3 LYS A 45 13.473 1.736 2.312 1.00 24.43 H new ATOM 0 HG2 LYS A 45 12.505 0.757 4.305 1.00 10.20 H new ATOM 0 HG3 LYS A 45 13.563 2.075 4.768 1.00 10.20 H new ATOM 0 HD2 LYS A 45 11.578 3.564 5.036 1.00 64.15 H new ATOM 0 HD3 LYS A 45 10.527 2.232 4.596 1.00 64.15 H new ATOM 0 HE2 LYS A 45 10.651 2.479 7.046 1.00 74.01 H new ATOM 0 HE3 LYS A 45 11.296 0.930 6.540 1.00 74.01 H new ATOM 0 HZ1 LYS A 45 12.615 2.225 8.230 1.00 23.44 H new ATOM 0 HZ2 LYS A 45 13.480 1.640 6.891 1.00 23.44 H new ATOM 0 HZ3 LYS A 45 13.045 3.279 6.970 1.00 23.44 H new ATOM 718 N ARG A 46 14.627 3.671 0.882 1.00 21.32 N ATOM 719 CA ARG A 46 15.197 3.876 -0.423 1.00 22.22 C ATOM 720 C ARG A 46 14.722 2.840 -1.424 1.00 60.33 C ATOM 721 O ARG A 46 15.421 1.863 -1.720 1.00 70.15 O ATOM 722 CB ARG A 46 16.704 3.916 -0.364 1.00 53.41 C ATOM 723 CG ARG A 46 17.230 5.019 0.515 1.00 14.14 C ATOM 724 CD ARG A 46 18.716 5.013 0.516 1.00 41.41 C ATOM 725 NE ARG A 46 19.277 6.064 1.362 1.00 11.10 N ATOM 726 CZ ARG A 46 20.565 6.164 1.700 1.00 13.22 C ATOM 727 NH1 ARG A 46 21.443 5.268 1.259 1.00 1.05 N ATOM 728 NH2 ARG A 46 20.970 7.168 2.469 1.00 14.12 N ATOM 0 H ARG A 46 15.261 3.239 1.555 1.00 21.32 H new ATOM 0 HA ARG A 46 14.845 4.847 -0.771 1.00 22.22 H new ATOM 0 HB2 ARG A 46 17.073 2.959 0.004 1.00 53.41 H new ATOM 0 HB3 ARG A 46 17.098 4.043 -1.372 1.00 53.41 H new ATOM 0 HG2 ARG A 46 16.864 5.982 0.160 1.00 14.14 H new ATOM 0 HG3 ARG A 46 16.858 4.892 1.532 1.00 14.14 H new ATOM 0 HD2 ARG A 46 19.072 4.043 0.862 1.00 41.41 H new ATOM 0 HD3 ARG A 46 19.078 5.140 -0.504 1.00 41.41 H new ATOM 0 HE ARG A 46 18.638 6.773 1.721 1.00 11.10 H new ATOM 0 HH11 ARG A 46 21.133 4.502 0.661 1.00 1.05 H new ATOM 0 HH12 ARG A 46 22.426 5.347 1.519 1.00 1.05 H new ATOM 0 HH21 ARG A 46 20.298 7.860 2.800 1.00 14.12 H new ATOM 0 HH22 ARG A 46 21.953 7.247 2.729 1.00 14.12 H new ATOM 742 N SER A 47 13.503 3.009 -1.848 1.00 71.22 N ATOM 743 CA SER A 47 12.866 2.216 -2.862 1.00 3.43 C ATOM 744 C SER A 47 11.715 3.026 -3.412 1.00 15.21 C ATOM 745 O SER A 47 10.572 2.861 -2.997 1.00 42.34 O ATOM 746 CB SER A 47 12.348 0.859 -2.318 1.00 33.24 C ATOM 747 OG SER A 47 13.401 0.068 -1.768 1.00 44.44 O ATOM 0 H SER A 47 12.895 3.740 -1.478 1.00 71.22 H new ATOM 0 HA SER A 47 13.595 1.978 -3.636 1.00 3.43 H new ATOM 0 HB2 SER A 47 11.592 1.039 -1.553 1.00 33.24 H new ATOM 0 HB3 SER A 47 11.862 0.307 -3.123 1.00 33.24 H new ATOM 0 HG SER A 47 14.246 0.561 -1.828 1.00 44.44 H new ATOM 753 N GLN A 48 12.028 3.961 -4.266 1.00 40.53 N ATOM 754 CA GLN A 48 11.034 4.814 -4.810 1.00 14.23 C ATOM 755 C GLN A 48 10.454 4.210 -6.048 1.00 71.33 C ATOM 756 O GLN A 48 11.089 4.162 -7.108 1.00 51.31 O ATOM 757 CB GLN A 48 11.596 6.174 -5.081 1.00 5.11 C ATOM 758 CG GLN A 48 10.596 7.160 -5.622 1.00 72.22 C ATOM 759 CD GLN A 48 11.204 8.518 -5.838 1.00 14.14 C ATOM 760 OE1 GLN A 48 11.197 9.362 -4.944 1.00 31.04 O ATOM 761 NE2 GLN A 48 11.741 8.739 -7.005 1.00 52.25 N ATOM 0 H GLN A 48 12.975 4.144 -4.596 1.00 40.53 H new ATOM 0 HA GLN A 48 10.232 4.927 -4.081 1.00 14.23 H new ATOM 0 HB2 GLN A 48 12.017 6.571 -4.157 1.00 5.11 H new ATOM 0 HB3 GLN A 48 12.417 6.080 -5.791 1.00 5.11 H new ATOM 0 HG2 GLN A 48 10.194 6.789 -6.565 1.00 72.22 H new ATOM 0 HG3 GLN A 48 9.758 7.244 -4.930 1.00 72.22 H new ATOM 0 HE21 GLN A 48 11.725 8.011 -7.720 1.00 52.25 H new ATOM 0 HE22 GLN A 48 12.177 9.640 -7.204 1.00 52.25 H new ATOM 770 N ALA A 49 9.276 3.755 -5.889 1.00 0.14 N ATOM 771 CA ALA A 49 8.497 3.090 -6.896 1.00 51.44 C ATOM 772 C ALA A 49 7.159 2.821 -6.280 1.00 51.43 C ATOM 773 O ALA A 49 6.906 3.261 -5.157 1.00 52.53 O ATOM 774 CB ALA A 49 9.156 1.765 -7.302 1.00 52.34 C ATOM 0 H ALA A 49 8.782 3.833 -5.000 1.00 0.14 H new ATOM 0 HA ALA A 49 8.414 3.704 -7.793 1.00 51.44 H new ATOM 0 HB1 ALA A 49 8.551 1.277 -8.066 1.00 52.34 H new ATOM 0 HB2 ALA A 49 10.152 1.961 -7.699 1.00 52.34 H new ATOM 0 HB3 ALA A 49 9.234 1.115 -6.430 1.00 52.34 H new ATOM 780 N GLU A 50 6.314 2.130 -6.971 1.00 63.02 N ATOM 781 CA GLU A 50 5.046 1.771 -6.421 1.00 24.20 C ATOM 782 C GLU A 50 5.086 0.306 -5.954 1.00 51.42 C ATOM 783 O GLU A 50 5.329 -0.606 -6.742 1.00 53.54 O ATOM 784 CB GLU A 50 3.917 2.048 -7.433 1.00 34.23 C ATOM 785 CG GLU A 50 4.034 1.288 -8.729 1.00 51.23 C ATOM 786 CD GLU A 50 2.967 1.654 -9.723 1.00 63.13 C ATOM 787 OE1 GLU A 50 1.814 1.254 -9.553 1.00 24.24 O ATOM 788 OE2 GLU A 50 3.285 2.337 -10.715 1.00 40.54 O ATOM 0 H GLU A 50 6.478 1.801 -7.922 1.00 63.02 H new ATOM 0 HA GLU A 50 4.831 2.388 -5.548 1.00 24.20 H new ATOM 0 HB2 GLU A 50 2.962 1.802 -6.968 1.00 34.23 H new ATOM 0 HB3 GLU A 50 3.899 3.115 -7.654 1.00 34.23 H new ATOM 0 HG2 GLU A 50 5.013 1.479 -9.169 1.00 51.23 H new ATOM 0 HG3 GLU A 50 3.980 0.219 -8.523 1.00 51.23 H new ATOM 795 N LEU A 51 4.942 0.094 -4.667 1.00 20.23 N ATOM 796 CA LEU A 51 4.939 -1.245 -4.112 1.00 34.12 C ATOM 797 C LEU A 51 3.559 -1.630 -3.637 1.00 40.04 C ATOM 798 O LEU A 51 2.993 -0.962 -2.810 1.00 12.31 O ATOM 799 CB LEU A 51 5.914 -1.368 -2.947 1.00 1.51 C ATOM 800 CG LEU A 51 7.406 -1.115 -3.235 1.00 12.34 C ATOM 801 CD1 LEU A 51 7.730 0.367 -3.423 1.00 12.44 C ATOM 802 CD2 LEU A 51 8.296 -1.755 -2.185 1.00 73.12 C ATOM 0 H LEU A 51 4.824 0.836 -3.977 1.00 20.23 H new ATOM 0 HA LEU A 51 5.251 -1.919 -4.910 1.00 34.12 H new ATOM 0 HB2 LEU A 51 5.599 -0.671 -2.170 1.00 1.51 H new ATOM 0 HB3 LEU A 51 5.817 -2.372 -2.533 1.00 1.51 H new ATOM 0 HG LEU A 51 7.621 -1.599 -4.188 1.00 12.34 H new ATOM 0 HD11 LEU A 51 8.795 0.484 -3.623 1.00 12.44 H new ATOM 0 HD12 LEU A 51 7.158 0.761 -4.263 1.00 12.44 H new ATOM 0 HD13 LEU A 51 7.469 0.914 -2.517 1.00 12.44 H new ATOM 0 HD21 LEU A 51 9.341 -1.555 -2.422 1.00 73.12 H new ATOM 0 HD22 LEU A 51 8.060 -1.339 -1.206 1.00 73.12 H new ATOM 0 HD23 LEU A 51 8.127 -2.832 -2.172 1.00 73.12 H new ATOM 814 N CYS A 52 3.032 -2.703 -4.159 1.00 72.45 N ATOM 815 CA CYS A 52 1.701 -3.143 -3.783 1.00 11.43 C ATOM 816 C CYS A 52 1.651 -3.827 -2.428 1.00 21.44 C ATOM 817 O CYS A 52 2.590 -4.514 -2.013 1.00 72.42 O ATOM 818 CB CYS A 52 1.095 -4.074 -4.837 1.00 63.24 C ATOM 819 SG CYS A 52 -0.574 -4.680 -4.400 1.00 12.44 S ATOM 0 H CYS A 52 3.498 -3.295 -4.847 1.00 72.45 H new ATOM 0 HA CYS A 52 1.110 -2.229 -3.716 1.00 11.43 H new ATOM 0 HB2 CYS A 52 1.044 -3.547 -5.790 1.00 63.24 H new ATOM 0 HB3 CYS A 52 1.757 -4.928 -4.980 1.00 63.24 H new ATOM 824 N ALA A 53 0.559 -3.592 -1.761 1.00 41.31 N ATOM 825 CA ALA A 53 0.179 -4.234 -0.557 1.00 51.33 C ATOM 826 C ALA A 53 -1.280 -4.607 -0.724 1.00 15.24 C ATOM 827 O ALA A 53 -2.024 -3.880 -1.418 1.00 21.14 O ATOM 828 CB ALA A 53 0.343 -3.291 0.606 1.00 75.25 C ATOM 0 H ALA A 53 -0.126 -2.902 -2.071 1.00 41.31 H new ATOM 0 HA ALA A 53 0.795 -5.111 -0.359 1.00 51.33 H new ATOM 0 HB1 ALA A 53 0.048 -3.794 1.527 1.00 75.25 H new ATOM 0 HB2 ALA A 53 1.386 -2.982 0.679 1.00 75.25 H new ATOM 0 HB3 ALA A 53 -0.286 -2.414 0.455 1.00 75.25 H new ATOM 834 N ASP A 54 -1.699 -5.709 -0.135 1.00 43.23 N ATOM 835 CA ASP A 54 -3.082 -6.167 -0.290 1.00 52.02 C ATOM 836 C ASP A 54 -4.018 -5.371 0.615 1.00 31.12 C ATOM 837 O ASP A 54 -3.974 -5.504 1.828 1.00 10.05 O ATOM 838 CB ASP A 54 -3.203 -7.661 -0.004 1.00 64.11 C ATOM 839 CG ASP A 54 -4.604 -8.171 -0.212 1.00 42.11 C ATOM 840 OD1 ASP A 54 -4.987 -8.421 -1.378 1.00 61.31 O ATOM 841 OD2 ASP A 54 -5.341 -8.338 0.776 1.00 44.42 O ATOM 0 H ASP A 54 -1.115 -6.305 0.452 1.00 43.23 H new ATOM 0 HA ASP A 54 -3.376 -5.998 -1.326 1.00 52.02 H new ATOM 0 HB2 ASP A 54 -2.519 -8.209 -0.652 1.00 64.11 H new ATOM 0 HB3 ASP A 54 -2.896 -7.858 1.023 1.00 64.11 H new ATOM 846 N PRO A 55 -4.900 -4.539 0.030 1.00 65.12 N ATOM 847 CA PRO A 55 -5.752 -3.628 0.799 1.00 1.42 C ATOM 848 C PRO A 55 -6.886 -4.306 1.548 1.00 31.23 C ATOM 849 O PRO A 55 -7.591 -3.667 2.328 1.00 13.15 O ATOM 850 CB PRO A 55 -6.292 -2.682 -0.234 1.00 44.43 C ATOM 851 CG PRO A 55 -6.295 -3.460 -1.506 1.00 54.13 C ATOM 852 CD PRO A 55 -5.137 -4.418 -1.421 1.00 64.41 C ATOM 0 HA PRO A 55 -5.176 -3.147 1.589 1.00 1.42 H new ATOM 0 HB2 PRO A 55 -7.296 -2.346 0.025 1.00 44.43 H new ATOM 0 HB3 PRO A 55 -5.669 -1.791 -0.318 1.00 44.43 H new ATOM 0 HG2 PRO A 55 -7.235 -3.997 -1.630 1.00 54.13 H new ATOM 0 HG3 PRO A 55 -6.190 -2.799 -2.366 1.00 54.13 H new ATOM 0 HD2 PRO A 55 -5.378 -5.381 -1.871 1.00 64.41 H new ATOM 0 HD3 PRO A 55 -4.259 -4.035 -1.941 1.00 64.41 H new ATOM 860 N LYS A 56 -7.076 -5.578 1.294 1.00 32.24 N ATOM 861 CA LYS A 56 -8.051 -6.355 2.024 1.00 14.21 C ATOM 862 C LYS A 56 -7.585 -6.562 3.452 1.00 42.44 C ATOM 863 O LYS A 56 -8.386 -6.824 4.346 1.00 31.34 O ATOM 864 CB LYS A 56 -8.326 -7.689 1.344 1.00 21.41 C ATOM 865 CG LYS A 56 -9.300 -7.709 0.142 1.00 71.34 C ATOM 866 CD LYS A 56 -9.018 -6.676 -0.952 1.00 11.21 C ATOM 867 CE LYS A 56 -9.650 -5.312 -0.651 1.00 44.51 C ATOM 868 NZ LYS A 56 -11.125 -5.401 -0.507 1.00 32.41 N ATOM 0 H LYS A 56 -6.565 -6.101 0.583 1.00 32.24 H new ATOM 0 HA LYS A 56 -8.989 -5.799 2.036 1.00 14.21 H new ATOM 0 HB2 LYS A 56 -7.372 -8.094 1.006 1.00 21.41 H new ATOM 0 HB3 LYS A 56 -8.714 -8.374 2.098 1.00 21.41 H new ATOM 0 HG2 LYS A 56 -9.276 -8.702 -0.306 1.00 71.34 H new ATOM 0 HG3 LYS A 56 -10.312 -7.551 0.514 1.00 71.34 H new ATOM 0 HD2 LYS A 56 -7.940 -6.556 -1.065 1.00 11.21 H new ATOM 0 HD3 LYS A 56 -9.399 -7.047 -1.904 1.00 11.21 H new ATOM 0 HE2 LYS A 56 -9.220 -4.908 0.266 1.00 44.51 H new ATOM 0 HE3 LYS A 56 -9.406 -4.615 -1.452 1.00 44.51 H new ATOM 0 HZ1 LYS A 56 -11.550 -4.474 -0.710 1.00 32.41 H new ATOM 0 HZ2 LYS A 56 -11.497 -6.106 -1.175 1.00 32.41 H new ATOM 0 HZ3 LYS A 56 -11.362 -5.686 0.465 1.00 32.41 H new ATOM 882 N GLU A 57 -6.287 -6.438 3.664 1.00 24.54 N ATOM 883 CA GLU A 57 -5.723 -6.504 4.990 1.00 51.30 C ATOM 884 C GLU A 57 -6.154 -5.294 5.792 1.00 61.10 C ATOM 885 O GLU A 57 -6.299 -4.183 5.252 1.00 3.22 O ATOM 886 CB GLU A 57 -4.217 -6.558 4.926 1.00 50.12 C ATOM 887 CG GLU A 57 -3.656 -7.826 4.319 1.00 22.42 C ATOM 888 CD GLU A 57 -3.835 -9.023 5.219 1.00 3.01 C ATOM 889 OE1 GLU A 57 -4.895 -9.682 5.167 1.00 3.21 O ATOM 890 OE2 GLU A 57 -2.911 -9.316 6.010 1.00 74.41 O ATOM 0 H GLU A 57 -5.602 -6.290 2.923 1.00 24.54 H new ATOM 0 HA GLU A 57 -6.085 -7.411 5.474 1.00 51.30 H new ATOM 0 HB2 GLU A 57 -3.860 -5.706 4.348 1.00 50.12 H new ATOM 0 HB3 GLU A 57 -3.820 -6.447 5.935 1.00 50.12 H new ATOM 0 HG2 GLU A 57 -4.146 -8.016 3.364 1.00 22.42 H new ATOM 0 HG3 GLU A 57 -2.595 -7.687 4.110 1.00 22.42 H new ATOM 897 N LEU A 58 -6.340 -5.494 7.063 1.00 72.40 N ATOM 898 CA LEU A 58 -6.795 -4.450 7.926 1.00 63.31 C ATOM 899 C LEU A 58 -5.722 -3.400 8.095 1.00 70.12 C ATOM 900 O LEU A 58 -6.004 -2.209 8.049 1.00 51.01 O ATOM 901 CB LEU A 58 -7.226 -4.998 9.289 1.00 23.55 C ATOM 902 CG LEU A 58 -7.693 -3.947 10.290 1.00 11.21 C ATOM 903 CD1 LEU A 58 -8.946 -3.229 9.801 1.00 70.43 C ATOM 904 CD2 LEU A 58 -7.898 -4.537 11.668 1.00 3.33 C ATOM 0 H LEU A 58 -6.180 -6.387 7.529 1.00 72.40 H new ATOM 0 HA LEU A 58 -7.667 -3.991 7.461 1.00 63.31 H new ATOM 0 HB2 LEU A 58 -8.032 -5.716 9.136 1.00 23.55 H new ATOM 0 HB3 LEU A 58 -6.390 -5.546 9.724 1.00 23.55 H new ATOM 0 HG LEU A 58 -6.899 -3.205 10.371 1.00 11.21 H new ATOM 0 HD11 LEU A 58 -9.251 -2.487 10.539 1.00 70.43 H new ATOM 0 HD12 LEU A 58 -8.735 -2.733 8.853 1.00 70.43 H new ATOM 0 HD13 LEU A 58 -9.749 -3.953 9.661 1.00 70.43 H new ATOM 0 HD21 LEU A 58 -8.231 -3.756 12.352 1.00 3.33 H new ATOM 0 HD22 LEU A 58 -8.652 -5.322 11.619 1.00 3.33 H new ATOM 0 HD23 LEU A 58 -6.959 -4.958 12.027 1.00 3.33 H new ATOM 916 N TRP A 59 -4.482 -3.843 8.259 1.00 35.15 N ATOM 917 CA TRP A 59 -3.364 -2.924 8.440 1.00 50.00 C ATOM 918 C TRP A 59 -3.205 -1.958 7.260 1.00 51.34 C ATOM 919 O TRP A 59 -2.871 -0.800 7.458 1.00 34.02 O ATOM 920 CB TRP A 59 -2.043 -3.657 8.776 1.00 53.41 C ATOM 921 CG TRP A 59 -1.562 -4.631 7.742 1.00 63.11 C ATOM 922 CD1 TRP A 59 -1.930 -5.937 7.608 1.00 45.10 C ATOM 923 CD2 TRP A 59 -0.595 -4.379 6.721 1.00 21.52 C ATOM 924 NE1 TRP A 59 -1.266 -6.505 6.555 1.00 35.14 N ATOM 925 CE2 TRP A 59 -0.437 -5.572 5.993 1.00 14.01 C ATOM 926 CE3 TRP A 59 0.147 -3.258 6.348 1.00 63.21 C ATOM 927 CZ2 TRP A 59 0.432 -5.673 4.913 1.00 24.21 C ATOM 928 CZ3 TRP A 59 1.009 -3.361 5.279 1.00 73.10 C ATOM 929 CH2 TRP A 59 1.146 -4.558 4.573 1.00 34.40 C ATOM 0 H TRP A 59 -4.225 -4.830 8.271 1.00 35.15 H new ATOM 0 HA TRP A 59 -3.609 -2.315 9.310 1.00 50.00 H new ATOM 0 HB2 TRP A 59 -1.265 -2.911 8.936 1.00 53.41 H new ATOM 0 HB3 TRP A 59 -2.173 -4.189 9.718 1.00 53.41 H new ATOM 0 HD1 TRP A 59 -2.641 -6.448 8.240 1.00 45.10 H new ATOM 0 HE1 TRP A 59 -1.372 -7.469 6.239 1.00 35.14 H new ATOM 0 HE3 TRP A 59 0.047 -2.328 6.887 1.00 63.21 H new ATOM 0 HZ2 TRP A 59 0.539 -6.597 4.364 1.00 24.21 H new ATOM 0 HZ3 TRP A 59 1.590 -2.500 4.981 1.00 73.10 H new ATOM 0 HH2 TRP A 59 1.831 -4.604 3.740 1.00 34.40 H new ATOM 940 N VAL A 60 -3.500 -2.430 6.051 1.00 53.33 N ATOM 941 CA VAL A 60 -3.410 -1.597 4.852 1.00 2.32 C ATOM 942 C VAL A 60 -4.504 -0.541 4.857 1.00 22.40 C ATOM 943 O VAL A 60 -4.261 0.631 4.531 1.00 22.10 O ATOM 944 CB VAL A 60 -3.485 -2.441 3.550 1.00 30.12 C ATOM 945 CG1 VAL A 60 -3.487 -1.553 2.304 1.00 52.42 C ATOM 946 CG2 VAL A 60 -2.327 -3.413 3.493 1.00 44.44 C ATOM 0 H VAL A 60 -3.804 -3.387 5.874 1.00 53.33 H new ATOM 0 HA VAL A 60 -2.437 -1.106 4.870 1.00 2.32 H new ATOM 0 HB VAL A 60 -4.423 -2.996 3.566 1.00 30.12 H new ATOM 0 HG11 VAL A 60 -3.540 -2.178 1.412 1.00 52.42 H new ATOM 0 HG12 VAL A 60 -4.350 -0.887 2.333 1.00 52.42 H new ATOM 0 HG13 VAL A 60 -2.572 -0.961 2.278 1.00 52.42 H new ATOM 0 HG21 VAL A 60 -2.389 -4.000 2.576 1.00 44.44 H new ATOM 0 HG22 VAL A 60 -1.387 -2.861 3.507 1.00 44.44 H new ATOM 0 HG23 VAL A 60 -2.369 -4.080 4.354 1.00 44.44 H new ATOM 956 N GLN A 61 -5.701 -0.939 5.249 1.00 31.24 N ATOM 957 CA GLN A 61 -6.794 -0.027 5.328 1.00 32.33 C ATOM 958 C GLN A 61 -6.532 1.005 6.417 1.00 65.52 C ATOM 959 O GLN A 61 -6.824 2.194 6.245 1.00 22.22 O ATOM 960 CB GLN A 61 -8.093 -0.767 5.560 1.00 62.10 C ATOM 961 CG GLN A 61 -9.285 0.139 5.563 1.00 35.45 C ATOM 962 CD GLN A 61 -10.583 -0.595 5.730 1.00 63.41 C ATOM 963 OE1 GLN A 61 -10.643 -1.639 6.368 1.00 22.21 O ATOM 964 NE2 GLN A 61 -11.632 -0.057 5.174 1.00 14.44 N ATOM 0 H GLN A 61 -5.927 -1.897 5.516 1.00 31.24 H new ATOM 0 HA GLN A 61 -6.887 0.500 4.378 1.00 32.33 H new ATOM 0 HB2 GLN A 61 -8.219 -1.523 4.785 1.00 62.10 H new ATOM 0 HB3 GLN A 61 -8.040 -1.294 6.513 1.00 62.10 H new ATOM 0 HG2 GLN A 61 -9.179 0.866 6.369 1.00 35.45 H new ATOM 0 HG3 GLN A 61 -9.310 0.700 4.629 1.00 35.45 H new ATOM 0 HE21 GLN A 61 -11.542 0.814 4.650 1.00 14.44 H new ATOM 0 HE22 GLN A 61 -12.543 -0.507 5.263 1.00 14.44 H new ATOM 973 N GLN A 62 -5.935 0.552 7.514 1.00 30.42 N ATOM 974 CA GLN A 62 -5.564 1.432 8.594 1.00 50.42 C ATOM 975 C GLN A 62 -4.531 2.463 8.116 1.00 62.35 C ATOM 976 O GLN A 62 -4.499 3.607 8.611 1.00 54.31 O ATOM 977 CB GLN A 62 -5.035 0.645 9.800 1.00 34.33 C ATOM 978 CG GLN A 62 -6.054 -0.290 10.456 1.00 14.42 C ATOM 979 CD GLN A 62 -5.493 -1.012 11.670 1.00 73.42 C ATOM 980 OE1 GLN A 62 -5.575 -0.521 12.790 1.00 2.03 O ATOM 981 NE2 GLN A 62 -4.931 -2.172 11.465 1.00 2.33 N ATOM 0 H GLN A 62 -5.700 -0.428 7.670 1.00 30.42 H new ATOM 0 HA GLN A 62 -6.459 1.964 8.917 1.00 50.42 H new ATOM 0 HB2 GLN A 62 -4.175 0.056 9.482 1.00 34.33 H new ATOM 0 HB3 GLN A 62 -4.678 1.352 10.549 1.00 34.33 H new ATOM 0 HG2 GLN A 62 -6.930 0.286 10.754 1.00 14.42 H new ATOM 0 HG3 GLN A 62 -6.390 -1.025 9.725 1.00 14.42 H new ATOM 0 HE21 GLN A 62 -4.879 -2.553 10.520 1.00 2.33 H new ATOM 0 HE22 GLN A 62 -4.544 -2.697 12.249 1.00 2.33 H new ATOM 990 N LEU A 63 -3.699 2.072 7.143 1.00 5.34 N ATOM 991 CA LEU A 63 -2.728 2.992 6.579 1.00 11.00 C ATOM 992 C LEU A 63 -3.425 4.002 5.714 1.00 65.43 C ATOM 993 O LEU A 63 -3.187 5.197 5.857 1.00 60.45 O ATOM 994 CB LEU A 63 -1.644 2.304 5.762 1.00 61.01 C ATOM 995 CG LEU A 63 -0.837 1.219 6.457 1.00 4.04 C ATOM 996 CD1 LEU A 63 0.369 0.882 5.651 1.00 33.34 C ATOM 997 CD2 LEU A 63 -0.468 1.586 7.874 1.00 75.40 C ATOM 0 H LEU A 63 -3.685 1.135 6.740 1.00 5.34 H new ATOM 0 HA LEU A 63 -2.237 3.474 7.424 1.00 11.00 H new ATOM 0 HB2 LEU A 63 -2.112 1.866 4.880 1.00 61.01 H new ATOM 0 HB3 LEU A 63 -0.951 3.067 5.409 1.00 61.01 H new ATOM 0 HG LEU A 63 -1.471 0.335 6.529 1.00 4.04 H new ATOM 0 HD11 LEU A 63 0.940 0.104 6.158 1.00 33.34 H new ATOM 0 HD12 LEU A 63 0.062 0.525 4.668 1.00 33.34 H new ATOM 0 HD13 LEU A 63 0.990 1.771 5.536 1.00 33.34 H new ATOM 0 HD21 LEU A 63 0.107 0.776 8.322 1.00 75.40 H new ATOM 0 HD22 LEU A 63 0.131 2.497 7.870 1.00 75.40 H new ATOM 0 HD23 LEU A 63 -1.375 1.751 8.455 1.00 75.40 H new ATOM 1009 N MET A 64 -4.304 3.516 4.808 1.00 53.14 N ATOM 1010 CA MET A 64 -5.096 4.396 3.950 1.00 72.11 C ATOM 1011 C MET A 64 -5.773 5.474 4.746 1.00 25.23 C ATOM 1012 O MET A 64 -5.679 6.617 4.400 1.00 14.30 O ATOM 1013 CB MET A 64 -6.166 3.647 3.136 1.00 1.04 C ATOM 1014 CG MET A 64 -5.643 2.665 2.109 1.00 12.24 C ATOM 1015 SD MET A 64 -6.967 2.029 1.035 1.00 12.45 S ATOM 1016 CE MET A 64 -8.028 1.176 2.193 1.00 71.23 C ATOM 0 H MET A 64 -4.475 2.521 4.660 1.00 53.14 H new ATOM 0 HA MET A 64 -4.381 4.834 3.254 1.00 72.11 H new ATOM 0 HB2 MET A 64 -6.813 3.109 3.829 1.00 1.04 H new ATOM 0 HB3 MET A 64 -6.788 4.382 2.625 1.00 1.04 H new ATOM 0 HG2 MET A 64 -4.883 3.151 1.498 1.00 12.24 H new ATOM 0 HG3 MET A 64 -5.158 1.832 2.618 1.00 12.24 H new ATOM 0 HE1 MET A 64 -8.992 0.976 1.724 1.00 71.23 H new ATOM 0 HE2 MET A 64 -7.564 0.234 2.486 1.00 71.23 H new ATOM 0 HE3 MET A 64 -8.176 1.797 3.076 1.00 71.23 H new ATOM 1026 N GLN A 65 -6.423 5.100 5.841 1.00 1.01 N ATOM 1027 CA GLN A 65 -7.129 6.062 6.686 1.00 21.04 C ATOM 1028 C GLN A 65 -6.196 7.146 7.249 1.00 70.31 C ATOM 1029 O GLN A 65 -6.591 8.306 7.373 1.00 32.21 O ATOM 1030 CB GLN A 65 -7.861 5.358 7.817 1.00 0.12 C ATOM 1031 CG GLN A 65 -8.940 4.400 7.360 1.00 74.54 C ATOM 1032 CD GLN A 65 -9.658 3.759 8.520 1.00 62.04 C ATOM 1033 OE1 GLN A 65 -9.260 2.699 9.009 1.00 10.24 O ATOM 1034 NE2 GLN A 65 -10.706 4.398 8.977 1.00 2.13 N ATOM 0 H GLN A 65 -6.477 4.135 6.168 1.00 1.01 H new ATOM 0 HA GLN A 65 -7.858 6.561 6.048 1.00 21.04 H new ATOM 0 HB2 GLN A 65 -7.135 4.810 8.418 1.00 0.12 H new ATOM 0 HB3 GLN A 65 -8.310 6.109 8.467 1.00 0.12 H new ATOM 0 HG2 GLN A 65 -9.659 4.934 6.740 1.00 74.54 H new ATOM 0 HG3 GLN A 65 -8.495 3.625 6.736 1.00 74.54 H new ATOM 0 HE21 GLN A 65 -11.000 5.272 8.542 1.00 2.13 H new ATOM 0 HE22 GLN A 65 -11.228 4.021 9.768 1.00 2.13 H new ATOM 1043 N HIS A 66 -4.967 6.769 7.580 1.00 62.44 N ATOM 1044 CA HIS A 66 -3.992 7.726 8.109 1.00 44.14 C ATOM 1045 C HIS A 66 -3.470 8.615 6.991 1.00 42.22 C ATOM 1046 O HIS A 66 -3.391 9.822 7.133 1.00 25.42 O ATOM 1047 CB HIS A 66 -2.817 6.995 8.789 1.00 23.24 C ATOM 1048 CG HIS A 66 -1.793 7.904 9.450 1.00 51.31 C ATOM 1049 ND1 HIS A 66 -1.763 8.139 10.804 1.00 2.40 N ATOM 1050 CD2 HIS A 66 -0.746 8.603 8.935 1.00 35.25 C ATOM 1051 CE1 HIS A 66 -0.758 8.938 11.092 1.00 44.41 C ATOM 1052 NE2 HIS A 66 -0.127 9.229 9.979 1.00 50.41 N ATOM 0 H HIS A 66 -4.619 5.814 7.494 1.00 62.44 H new ATOM 0 HA HIS A 66 -4.493 8.344 8.855 1.00 44.14 H new ATOM 0 HB2 HIS A 66 -3.218 6.316 9.542 1.00 23.24 H new ATOM 0 HB3 HIS A 66 -2.310 6.382 8.044 1.00 23.24 H new ATOM 0 HD2 HIS A 66 -0.458 8.653 7.895 1.00 35.25 H new ATOM 0 HE1 HIS A 66 -0.497 9.294 12.078 1.00 44.41 H new ATOM 0 HE2 HIS A 66 0.695 9.828 9.905 1.00 50.41 H new ATOM 1061 N LEU A 67 -3.133 7.989 5.885 1.00 2.24 N ATOM 1062 CA LEU A 67 -2.546 8.667 4.726 1.00 4.32 C ATOM 1063 C LEU A 67 -3.573 9.550 4.039 1.00 24.23 C ATOM 1064 O LEU A 67 -3.245 10.568 3.431 1.00 3.43 O ATOM 1065 CB LEU A 67 -1.973 7.625 3.777 1.00 73.43 C ATOM 1066 CG LEU A 67 -0.876 6.732 4.369 1.00 1.31 C ATOM 1067 CD1 LEU A 67 -0.522 5.590 3.423 1.00 34.23 C ATOM 1068 CD2 LEU A 67 0.351 7.556 4.693 1.00 64.42 C ATOM 0 H LEU A 67 -3.256 6.985 5.753 1.00 2.24 H new ATOM 0 HA LEU A 67 -1.738 9.320 5.055 1.00 4.32 H new ATOM 0 HB2 LEU A 67 -2.787 6.989 3.428 1.00 73.43 H new ATOM 0 HB3 LEU A 67 -1.570 8.136 2.903 1.00 73.43 H new ATOM 0 HG LEU A 67 -1.257 6.292 5.291 1.00 1.31 H new ATOM 0 HD11 LEU A 67 0.258 4.975 3.871 1.00 34.23 H new ATOM 0 HD12 LEU A 67 -1.407 4.979 3.243 1.00 34.23 H new ATOM 0 HD13 LEU A 67 -0.164 5.998 2.478 1.00 34.23 H new ATOM 0 HD21 LEU A 67 1.122 6.910 5.113 1.00 64.42 H new ATOM 0 HD22 LEU A 67 0.725 8.024 3.783 1.00 64.42 H new ATOM 0 HD23 LEU A 67 0.090 8.328 5.417 1.00 64.42 H new ATOM 1080 N ASP A 68 -4.809 9.144 4.154 1.00 23.45 N ATOM 1081 CA ASP A 68 -5.970 9.912 3.676 1.00 65.11 C ATOM 1082 C ASP A 68 -6.041 11.248 4.403 1.00 10.21 C ATOM 1083 O ASP A 68 -6.591 12.224 3.893 1.00 32.13 O ATOM 1084 CB ASP A 68 -7.264 9.116 3.925 1.00 41.43 C ATOM 1085 CG ASP A 68 -8.527 9.846 3.532 1.00 12.20 C ATOM 1086 OD1 ASP A 68 -8.966 9.718 2.366 1.00 44.45 O ATOM 1087 OD2 ASP A 68 -9.125 10.534 4.397 1.00 50.13 O ATOM 0 H ASP A 68 -5.062 8.256 4.588 1.00 23.45 H new ATOM 0 HA ASP A 68 -5.861 10.091 2.606 1.00 65.11 H new ATOM 0 HB2 ASP A 68 -7.213 8.179 3.371 1.00 41.43 H new ATOM 0 HB3 ASP A 68 -7.321 8.859 4.983 1.00 41.43 H new ATOM 1092 N LYS A 69 -5.464 11.288 5.589 1.00 62.55 N ATOM 1093 CA LYS A 69 -5.431 12.484 6.369 1.00 41.21 C ATOM 1094 C LYS A 69 -4.183 13.269 6.050 1.00 71.25 C ATOM 1095 O LYS A 69 -3.063 12.868 6.399 1.00 45.34 O ATOM 1096 CB LYS A 69 -5.505 12.180 7.849 1.00 64.14 C ATOM 1097 CG LYS A 69 -6.811 11.532 8.277 1.00 53.44 C ATOM 1098 CD LYS A 69 -6.889 11.370 9.784 1.00 40.14 C ATOM 1099 CE LYS A 69 -6.866 12.723 10.495 1.00 3.14 C ATOM 1100 NZ LYS A 69 -8.022 13.585 10.126 1.00 11.31 N ATOM 0 H LYS A 69 -5.009 10.487 6.027 1.00 62.55 H new ATOM 0 HA LYS A 69 -6.305 13.083 6.114 1.00 41.21 H new ATOM 0 HB2 LYS A 69 -4.679 11.522 8.117 1.00 64.14 H new ATOM 0 HB3 LYS A 69 -5.369 13.106 8.408 1.00 64.14 H new ATOM 0 HG2 LYS A 69 -7.648 12.139 7.932 1.00 53.44 H new ATOM 0 HG3 LYS A 69 -6.907 10.556 7.801 1.00 53.44 H new ATOM 0 HD2 LYS A 69 -7.802 10.835 10.047 1.00 40.14 H new ATOM 0 HD3 LYS A 69 -6.053 10.762 10.129 1.00 40.14 H new ATOM 0 HE2 LYS A 69 -6.867 12.562 11.573 1.00 3.14 H new ATOM 0 HE3 LYS A 69 -5.939 13.241 10.251 1.00 3.14 H new ATOM 0 HZ1 LYS A 69 -8.063 14.404 10.766 1.00 11.31 H new ATOM 0 HZ2 LYS A 69 -7.909 13.916 9.147 1.00 11.31 H new ATOM 0 HZ3 LYS A 69 -8.903 13.038 10.207 1.00 11.31 H new ATOM 1114 N THR A 70 -4.371 14.343 5.364 1.00 32.34 N ATOM 1115 CA THR A 70 -3.304 15.191 4.957 1.00 31.43 C ATOM 1116 C THR A 70 -3.558 16.595 5.503 1.00 10.23 C ATOM 1117 O THR A 70 -3.025 16.916 6.577 1.00 37.90 O ATOM 1118 CB THR A 70 -3.199 15.215 3.421 1.00 73.15 C ATOM 1119 OG1 THR A 70 -3.091 13.859 2.946 1.00 12.45 O ATOM 1120 CG2 THR A 70 -1.975 16.002 2.970 1.00 34.54 C ATOM 0 H THR A 70 -5.292 14.664 5.064 1.00 32.34 H new ATOM 0 HA THR A 70 -2.360 14.814 5.351 1.00 31.43 H new ATOM 0 HB THR A 70 -4.087 15.698 3.013 1.00 73.15 H new ATOM 0 HG1 THR A 70 -3.025 13.859 1.968 1.00 12.45 H new ATOM 0 HG21 THR A 70 -1.924 16.003 1.881 1.00 34.54 H new ATOM 0 HG22 THR A 70 -2.049 17.028 3.331 1.00 34.54 H new ATOM 0 HG23 THR A 70 -1.075 15.539 3.374 1.00 34.54 H new TER 1128 THR A 70