USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 290 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 ASP N :NH3+ 169:sc= 0 (180deg=-0.203) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=-0.45) USER MOD Single : A 15 GLN : amide:sc= -2.76! C(o=-2.8!,f=-3.9!) USER MOD Single : A 16 LYS NZ :NH3+ -127:sc= 0.394 (180deg=0) USER MOD Single : A 26 SER OG : rot -170:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.456 K(o=-0.46,f=-2.8!) USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= -0.0729 (180deg=-0.499) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.155 -3.757 -1.922 1.00 24.34 N ATOM 2 CA ASP A 1 -0.752 -2.930 -1.135 1.00 54.25 C ATOM 3 C ASP A 1 -0.580 -1.454 -1.481 1.00 62.25 C ATOM 4 O ASP A 1 -0.596 -0.594 -0.601 1.00 71.24 O ATOM 5 CB ASP A 1 -0.510 -3.148 0.359 1.00 54.21 C ATOM 6 CG ASP A 1 0.934 -2.907 0.753 1.00 73.53 C ATOM 7 OD1 ASP A 1 1.364 -1.735 0.746 1.00 53.22 O ATOM 8 OD2 ASP A 1 1.634 -3.892 1.069 1.00 52.14 O ATOM 0 H1 ASP A 1 0.157 -4.726 -1.545 1.00 24.34 H new ATOM 0 H2 ASP A 1 -0.160 -3.772 -2.913 1.00 24.34 H new ATOM 0 H3 ASP A 1 1.116 -3.364 -1.871 1.00 24.34 H new ATOM 0 HA ASP A 1 -1.773 -3.225 -1.376 1.00 54.25 H new ATOM 0 HB2 ASP A 1 -1.156 -2.480 0.930 1.00 54.21 H new ATOM 0 HB3 ASP A 1 -0.791 -4.167 0.625 1.00 54.21 H new ATOM 13 N ALA A 2 -0.413 -1.169 -2.769 1.00 14.02 N ATOM 14 CA ALA A 2 -0.239 0.202 -3.231 1.00 44.30 C ATOM 15 C ALA A 2 -0.452 0.305 -4.737 1.00 51.34 C ATOM 16 O ALA A 2 -0.626 -0.705 -5.419 1.00 11.53 O ATOM 17 CB ALA A 2 1.145 0.713 -2.856 1.00 15.51 C ATOM 0 H ALA A 2 -0.395 -1.870 -3.510 1.00 14.02 H new ATOM 0 HA ALA A 2 -0.989 0.823 -2.741 1.00 44.30 H new ATOM 0 HB1 ALA A 2 1.262 1.738 -3.207 1.00 15.51 H new ATOM 0 HB2 ALA A 2 1.262 0.685 -1.773 1.00 15.51 H new ATOM 0 HB3 ALA A 2 1.904 0.082 -3.319 1.00 15.51 H new ATOM 23 N GLU A 3 -0.438 1.532 -5.250 1.00 72.21 N ATOM 24 CA GLU A 3 -0.632 1.765 -6.676 1.00 52.03 C ATOM 25 C GLU A 3 0.539 2.546 -7.264 1.00 44.41 C ATOM 26 O GLU A 3 1.166 3.356 -6.580 1.00 22.43 O ATOM 27 CB GLU A 3 -1.938 2.524 -6.919 1.00 15.14 C ATOM 28 CG GLU A 3 -2.138 3.706 -5.984 1.00 72.53 C ATOM 29 CD GLU A 3 -2.883 4.851 -6.643 1.00 24.22 C ATOM 30 OE1 GLU A 3 -3.973 4.608 -7.201 1.00 21.34 O ATOM 31 OE2 GLU A 3 -2.374 5.991 -6.600 1.00 31.33 O ATOM 0 H GLU A 3 -0.294 2.379 -4.700 1.00 72.21 H new ATOM 0 HA GLU A 3 -0.686 0.796 -7.172 1.00 52.03 H new ATOM 0 HB2 GLU A 3 -1.956 2.879 -7.949 1.00 15.14 H new ATOM 0 HB3 GLU A 3 -2.775 1.835 -6.805 1.00 15.14 H new ATOM 0 HG2 GLU A 3 -2.689 3.378 -5.103 1.00 72.53 H new ATOM 0 HG3 GLU A 3 -1.167 4.060 -5.639 1.00 72.53 H new ATOM 38 N PHE A 4 0.830 2.298 -8.537 1.00 34.11 N ATOM 39 CA PHE A 4 1.927 2.976 -9.217 1.00 54.24 C ATOM 40 C PHE A 4 1.398 3.925 -10.289 1.00 10.21 C ATOM 41 O PHE A 4 2.030 4.932 -10.608 1.00 1.43 O ATOM 42 CB PHE A 4 2.874 1.953 -9.848 1.00 53.43 C ATOM 43 CG PHE A 4 2.166 0.883 -10.630 1.00 2.43 C ATOM 44 CD1 PHE A 4 1.875 1.065 -11.972 1.00 45.12 C ATOM 45 CD2 PHE A 4 1.792 -0.304 -10.022 1.00 24.31 C ATOM 46 CE1 PHE A 4 1.224 0.082 -12.693 1.00 52.51 C ATOM 47 CE2 PHE A 4 1.141 -1.291 -10.738 1.00 12.10 C ATOM 48 CZ PHE A 4 0.857 -1.097 -12.076 1.00 22.43 C ATOM 0 H PHE A 4 0.321 1.632 -9.118 1.00 34.11 H new ATOM 0 HA PHE A 4 2.475 3.560 -8.477 1.00 54.24 H new ATOM 0 HB2 PHE A 4 3.571 2.472 -10.506 1.00 53.43 H new ATOM 0 HB3 PHE A 4 3.467 1.485 -9.062 1.00 53.43 H new ATOM 0 HD1 PHE A 4 2.160 1.985 -12.460 1.00 45.12 H new ATOM 0 HD2 PHE A 4 2.012 -0.460 -8.976 1.00 24.31 H new ATOM 0 HE1 PHE A 4 1.002 0.236 -13.739 1.00 52.51 H new ATOM 0 HE2 PHE A 4 0.855 -2.212 -10.252 1.00 12.10 H new ATOM 0 HZ PHE A 4 0.349 -1.866 -12.638 1.00 22.43 H new ATOM 58 N ARG A 5 0.235 3.596 -10.841 1.00 60.53 N ATOM 59 CA ARG A 5 -0.378 4.417 -11.878 1.00 74.41 C ATOM 60 C ARG A 5 -1.795 4.824 -11.482 1.00 64.12 C ATOM 61 O ARG A 5 -2.450 4.142 -10.694 1.00 15.23 O ATOM 62 CB ARG A 5 -0.407 3.660 -13.207 1.00 44.15 C ATOM 63 CG ARG A 5 -1.377 2.490 -13.222 1.00 3.10 C ATOM 64 CD ARG A 5 -2.636 2.820 -14.007 1.00 52.54 C ATOM 65 NE ARG A 5 -3.836 2.289 -13.367 1.00 30.32 N ATOM 66 CZ ARG A 5 -4.153 0.999 -13.356 1.00 73.23 C ATOM 67 NH1 ARG A 5 -3.363 0.114 -13.948 1.00 74.43 N ATOM 68 NH2 ARG A 5 -5.262 0.592 -12.752 1.00 75.03 N ATOM 0 H ARG A 5 -0.302 2.767 -10.587 1.00 60.53 H new ATOM 0 HA ARG A 5 0.222 5.319 -11.994 1.00 74.41 H new ATOM 0 HB2 ARG A 5 -0.675 4.353 -14.004 1.00 44.15 H new ATOM 0 HB3 ARG A 5 0.595 3.293 -13.428 1.00 44.15 H new ATOM 0 HG2 ARG A 5 -0.891 1.619 -13.661 1.00 3.10 H new ATOM 0 HG3 ARG A 5 -1.644 2.224 -12.199 1.00 3.10 H new ATOM 0 HD2 ARG A 5 -2.727 3.902 -14.107 1.00 52.54 H new ATOM 0 HD3 ARG A 5 -2.552 2.412 -15.014 1.00 52.54 H new ATOM 0 HE ARG A 5 -4.465 2.944 -12.903 1.00 30.32 H new ATOM 0 HH11 ARG A 5 -2.510 0.423 -14.413 1.00 74.43 H new ATOM 0 HH12 ARG A 5 -3.609 -0.876 -13.938 1.00 74.43 H new ATOM 0 HH21 ARG A 5 -5.872 1.270 -12.295 1.00 75.03 H new ATOM 0 HH22 ARG A 5 -5.504 -0.399 -12.744 1.00 75.03 H new ATOM 82 N HIS A 6 -2.260 5.940 -12.034 1.00 72.24 N ATOM 83 CA HIS A 6 -3.599 6.438 -11.739 1.00 41.10 C ATOM 84 C HIS A 6 -4.617 5.879 -12.728 1.00 33.43 C ATOM 85 O HIS A 6 -5.607 5.262 -12.332 1.00 63.23 O ATOM 86 CB HIS A 6 -3.618 7.966 -11.780 1.00 4.42 C ATOM 87 CG HIS A 6 -4.658 8.577 -10.892 1.00 22.43 C ATOM 88 ND1 HIS A 6 -4.364 9.510 -9.920 1.00 33.10 N ATOM 89 CD2 HIS A 6 -5.996 8.383 -10.833 1.00 52.35 C ATOM 90 CE1 HIS A 6 -5.477 9.863 -9.301 1.00 61.13 C ATOM 91 NE2 HIS A 6 -6.482 9.194 -9.837 1.00 62.11 N ATOM 0 H HIS A 6 -1.730 6.516 -12.688 1.00 72.24 H new ATOM 0 HA HIS A 6 -3.871 6.105 -10.737 1.00 41.10 H new ATOM 0 HB2 HIS A 6 -2.637 8.341 -11.488 1.00 4.42 H new ATOM 0 HB3 HIS A 6 -3.791 8.291 -12.806 1.00 4.42 H new ATOM 0 HD2 HIS A 6 -6.574 7.715 -11.454 1.00 52.35 H new ATOM 0 HE1 HIS A 6 -5.552 10.577 -8.494 1.00 61.13 H new ATOM 0 HE2 HIS A 6 -7.460 9.268 -9.557 1.00 62.11 H new ATOM 99 N ASP A 7 -4.368 6.099 -14.014 1.00 34.31 N ATOM 100 CA ASP A 7 -5.263 5.616 -15.059 1.00 54.23 C ATOM 101 C ASP A 7 -4.529 5.497 -16.391 1.00 22.40 C ATOM 102 O ASP A 7 -3.573 6.228 -16.652 1.00 75.51 O ATOM 103 CB ASP A 7 -6.463 6.554 -15.207 1.00 4.13 C ATOM 104 CG ASP A 7 -7.671 5.859 -15.802 1.00 14.13 C ATOM 105 OD1 ASP A 7 -7.590 5.422 -16.969 1.00 5.54 O ATOM 106 OD2 ASP A 7 -8.700 5.753 -15.101 1.00 22.43 O ATOM 0 H ASP A 7 -3.554 6.609 -14.358 1.00 34.31 H new ATOM 0 HA ASP A 7 -5.618 4.627 -14.770 1.00 54.23 H new ATOM 0 HB2 ASP A 7 -6.726 6.960 -14.230 1.00 4.13 H new ATOM 0 HB3 ASP A 7 -6.185 7.398 -15.839 1.00 4.13 H new ATOM 111 N SER A 8 -4.981 4.569 -17.229 1.00 41.32 N ATOM 112 CA SER A 8 -4.364 4.350 -18.532 1.00 43.30 C ATOM 113 C SER A 8 -5.198 3.390 -19.374 1.00 52.01 C ATOM 114 O SER A 8 -5.828 2.473 -18.849 1.00 72.00 O ATOM 115 CB SER A 8 -2.947 3.799 -18.362 1.00 61.54 C ATOM 116 OG SER A 8 -2.962 2.388 -18.222 1.00 52.51 O ATOM 0 H SER A 8 -5.772 3.957 -17.029 1.00 41.32 H new ATOM 0 HA SER A 8 -4.314 5.308 -19.049 1.00 43.30 H new ATOM 0 HB2 SER A 8 -2.340 4.076 -19.224 1.00 61.54 H new ATOM 0 HB3 SER A 8 -2.481 4.250 -17.486 1.00 61.54 H new ATOM 0 HG SER A 8 -2.045 2.060 -18.116 1.00 52.51 H new ATOM 122 N GLY A 9 -5.197 3.609 -20.686 1.00 33.33 N ATOM 123 CA GLY A 9 -5.957 2.756 -21.580 1.00 73.25 C ATOM 124 C GLY A 9 -6.082 3.342 -22.973 1.00 35.41 C ATOM 125 O GLY A 9 -7.172 3.371 -23.546 1.00 63.31 O ATOM 0 H GLY A 9 -4.684 4.362 -21.145 1.00 33.33 H new ATOM 0 HA2 GLY A 9 -5.476 1.780 -21.642 1.00 73.25 H new ATOM 0 HA3 GLY A 9 -6.952 2.596 -21.166 1.00 73.25 H new ATOM 129 N TYR A 10 -4.966 3.811 -23.518 1.00 23.11 N ATOM 130 CA TYR A 10 -4.956 4.403 -24.850 1.00 63.14 C ATOM 131 C TYR A 10 -4.275 3.476 -25.853 1.00 51.21 C ATOM 132 O TYR A 10 -3.678 2.468 -25.476 1.00 51.35 O ATOM 133 CB TYR A 10 -4.243 5.756 -24.825 1.00 13.23 C ATOM 134 CG TYR A 10 -4.714 6.709 -25.900 1.00 72.13 C ATOM 135 CD1 TYR A 10 -6.042 7.114 -25.965 1.00 24.10 C ATOM 136 CD2 TYR A 10 -3.831 7.205 -26.852 1.00 21.25 C ATOM 137 CE1 TYR A 10 -6.476 7.983 -26.946 1.00 50.45 C ATOM 138 CE2 TYR A 10 -4.256 8.076 -27.836 1.00 33.12 C ATOM 139 CZ TYR A 10 -5.580 8.462 -27.879 1.00 63.23 C ATOM 140 OH TYR A 10 -6.008 9.329 -28.858 1.00 14.32 O ATOM 0 H TYR A 10 -4.056 3.793 -23.058 1.00 23.11 H new ATOM 0 HA TYR A 10 -5.990 4.550 -25.162 1.00 63.14 H new ATOM 0 HB2 TYR A 10 -4.394 6.219 -23.850 1.00 13.23 H new ATOM 0 HB3 TYR A 10 -3.171 5.594 -24.939 1.00 13.23 H new ATOM 0 HD1 TYR A 10 -6.746 6.742 -25.236 1.00 24.10 H new ATOM 0 HD2 TYR A 10 -2.794 6.904 -26.822 1.00 21.25 H new ATOM 0 HE1 TYR A 10 -7.512 8.286 -26.983 1.00 50.45 H new ATOM 0 HE2 TYR A 10 -3.556 8.453 -28.567 1.00 33.12 H new ATOM 0 HH TYR A 10 -5.253 9.572 -29.433 1.00 14.32 H new ATOM 150 N GLU A 11 -4.370 3.827 -27.132 1.00 22.20 N ATOM 151 CA GLU A 11 -3.764 3.027 -28.190 1.00 24.34 C ATOM 152 C GLU A 11 -2.265 3.300 -28.288 1.00 34.14 C ATOM 153 O GLU A 11 -1.508 2.488 -28.819 1.00 73.25 O ATOM 154 CB GLU A 11 -4.436 3.322 -29.532 1.00 41.10 C ATOM 155 CG GLU A 11 -4.469 4.800 -29.884 1.00 63.33 C ATOM 156 CD GLU A 11 -4.974 5.053 -31.291 1.00 54.02 C ATOM 157 OE1 GLU A 11 -4.319 4.594 -32.250 1.00 21.14 O ATOM 158 OE2 GLU A 11 -6.027 5.711 -31.433 1.00 62.42 O ATOM 0 H GLU A 11 -4.860 4.659 -27.460 1.00 22.20 H new ATOM 0 HA GLU A 11 -3.909 1.975 -27.943 1.00 24.34 H new ATOM 0 HB2 GLU A 11 -3.910 2.781 -30.319 1.00 41.10 H new ATOM 0 HB3 GLU A 11 -5.456 2.939 -29.510 1.00 41.10 H new ATOM 0 HG2 GLU A 11 -5.107 5.325 -29.173 1.00 63.33 H new ATOM 0 HG3 GLU A 11 -3.467 5.217 -29.781 1.00 63.33 H new ATOM 165 N VAL A 12 -1.845 4.450 -27.771 1.00 44.10 N ATOM 166 CA VAL A 12 -0.438 4.832 -27.799 1.00 64.52 C ATOM 167 C VAL A 12 0.445 3.716 -27.250 1.00 42.33 C ATOM 168 O VAL A 12 0.370 3.375 -26.070 1.00 22.45 O ATOM 169 CB VAL A 12 -0.188 6.116 -26.987 1.00 1.02 C ATOM 170 CG1 VAL A 12 -0.717 5.963 -25.569 1.00 74.21 C ATOM 171 CG2 VAL A 12 1.294 6.460 -26.977 1.00 11.01 C ATOM 0 H VAL A 12 -2.459 5.133 -27.328 1.00 44.10 H new ATOM 0 HA VAL A 12 -0.181 5.016 -28.842 1.00 64.52 H new ATOM 0 HB VAL A 12 -0.725 6.936 -27.463 1.00 1.02 H new ATOM 0 HG11 VAL A 12 -0.531 6.880 -25.010 1.00 74.21 H new ATOM 0 HG12 VAL A 12 -1.789 5.768 -25.600 1.00 74.21 H new ATOM 0 HG13 VAL A 12 -0.210 5.131 -25.079 1.00 74.21 H new ATOM 0 HG21 VAL A 12 1.452 7.370 -26.399 1.00 11.01 H new ATOM 0 HG22 VAL A 12 1.855 5.641 -26.526 1.00 11.01 H new ATOM 0 HG23 VAL A 12 1.638 6.615 -27.999 1.00 11.01 H new ATOM 181 N HIS A 13 1.282 3.152 -28.115 1.00 24.02 N ATOM 182 CA HIS A 13 2.182 2.075 -27.716 1.00 73.13 C ATOM 183 C HIS A 13 3.415 2.630 -27.010 1.00 12.11 C ATOM 184 O HIS A 13 4.080 1.923 -26.252 1.00 71.02 O ATOM 185 CB HIS A 13 2.604 1.257 -28.937 1.00 20.31 C ATOM 186 CG HIS A 13 1.637 0.170 -29.293 1.00 61.21 C ATOM 187 ND1 HIS A 13 1.828 -1.151 -28.946 1.00 63.02 N ATOM 188 CD2 HIS A 13 0.465 0.214 -29.968 1.00 73.01 C ATOM 189 CE1 HIS A 13 0.816 -1.872 -29.394 1.00 23.51 C ATOM 190 NE2 HIS A 13 -0.025 -1.068 -30.017 1.00 54.24 N ATOM 0 H HIS A 13 1.356 3.422 -29.096 1.00 24.02 H new ATOM 0 HA HIS A 13 1.648 1.428 -27.020 1.00 73.13 H new ATOM 0 HB2 HIS A 13 2.717 1.925 -29.791 1.00 20.31 H new ATOM 0 HB3 HIS A 13 3.582 0.814 -28.747 1.00 20.31 H new ATOM 0 HD2 HIS A 13 0.001 1.094 -30.390 1.00 73.01 H new ATOM 0 HE1 HIS A 13 0.697 -2.938 -29.271 1.00 23.51 H new ATOM 0 HE2 HIS A 13 -0.897 -1.353 -30.463 1.00 54.24 H new ATOM 198 N HIS A 14 3.715 3.900 -27.264 1.00 12.03 N ATOM 199 CA HIS A 14 4.868 4.550 -26.652 1.00 4.00 C ATOM 200 C HIS A 14 4.772 4.509 -25.130 1.00 34.41 C ATOM 201 O HIS A 14 5.785 4.561 -24.433 1.00 53.13 O ATOM 202 CB HIS A 14 4.976 5.999 -27.129 1.00 23.24 C ATOM 203 CG HIS A 14 5.100 6.133 -28.615 1.00 60.42 C ATOM 204 ND1 HIS A 14 4.123 6.703 -29.403 1.00 72.24 N ATOM 205 CD2 HIS A 14 6.095 5.768 -29.457 1.00 60.31 C ATOM 206 CE1 HIS A 14 4.511 6.681 -30.666 1.00 54.21 C ATOM 207 NE2 HIS A 14 5.704 6.119 -30.726 1.00 4.22 N ATOM 0 H HIS A 14 3.176 4.499 -27.889 1.00 12.03 H new ATOM 0 HA HIS A 14 5.763 4.007 -26.956 1.00 4.00 H new ATOM 0 HB2 HIS A 14 4.096 6.549 -26.795 1.00 23.24 H new ATOM 0 HB3 HIS A 14 5.841 6.465 -26.657 1.00 23.24 H new ATOM 0 HD2 HIS A 14 7.024 5.290 -29.182 1.00 60.31 H new ATOM 0 HE1 HIS A 14 3.948 7.059 -31.507 1.00 54.21 H new ATOM 0 HE2 HIS A 14 6.247 5.970 -31.576 1.00 4.22 H new ATOM 215 N GLN A 15 3.547 4.415 -24.622 1.00 11.20 N ATOM 216 CA GLN A 15 3.319 4.368 -23.183 1.00 10.54 C ATOM 217 C GLN A 15 3.673 2.996 -22.620 1.00 34.14 C ATOM 218 O GLN A 15 3.659 2.788 -21.406 1.00 53.12 O ATOM 219 CB GLN A 15 1.861 4.703 -22.865 1.00 35.12 C ATOM 220 CG GLN A 15 0.934 3.499 -22.923 1.00 11.24 C ATOM 221 CD GLN A 15 -0.516 3.888 -23.135 1.00 42.41 C ATOM 222 OE1 GLN A 15 -0.929 4.997 -22.795 1.00 12.22 O ATOM 223 NE2 GLN A 15 -1.297 2.976 -23.701 1.00 32.12 N ATOM 0 H GLN A 15 2.698 4.370 -25.186 1.00 11.20 H new ATOM 0 HA GLN A 15 3.965 5.110 -22.714 1.00 10.54 H new ATOM 0 HB2 GLN A 15 1.807 5.145 -21.870 1.00 35.12 H new ATOM 0 HB3 GLN A 15 1.508 5.457 -23.569 1.00 35.12 H new ATOM 0 HG2 GLN A 15 1.251 2.840 -23.731 1.00 11.24 H new ATOM 0 HG3 GLN A 15 1.022 2.932 -21.996 1.00 11.24 H new ATOM 0 HE21 GLN A 15 -0.912 2.069 -23.967 1.00 32.12 H new ATOM 0 HE22 GLN A 15 -2.282 3.182 -23.870 1.00 32.12 H new ATOM 232 N LYS A 16 3.989 2.061 -23.509 1.00 23.10 N ATOM 233 CA LYS A 16 4.348 0.707 -23.102 1.00 52.42 C ATOM 234 C LYS A 16 5.442 0.730 -22.040 1.00 2.41 C ATOM 235 O LYS A 16 5.572 -0.204 -21.247 1.00 41.54 O ATOM 236 CB LYS A 16 4.814 -0.104 -24.313 1.00 23.43 C ATOM 237 CG LYS A 16 5.104 -1.561 -23.993 1.00 52.24 C ATOM 238 CD LYS A 16 3.823 -2.365 -23.850 1.00 31.54 C ATOM 239 CE LYS A 16 3.996 -3.518 -22.872 1.00 74.02 C ATOM 240 NZ LYS A 16 2.853 -4.472 -22.932 1.00 44.20 N ATOM 0 H LYS A 16 4.004 2.216 -24.517 1.00 23.10 H new ATOM 0 HA LYS A 16 3.463 0.235 -22.675 1.00 52.42 H new ATOM 0 HB2 LYS A 16 4.049 -0.056 -25.088 1.00 23.43 H new ATOM 0 HB3 LYS A 16 5.713 0.355 -24.723 1.00 23.43 H new ATOM 0 HG2 LYS A 16 5.719 -1.992 -24.782 1.00 52.24 H new ATOM 0 HG3 LYS A 16 5.680 -1.624 -23.070 1.00 52.24 H new ATOM 0 HD2 LYS A 16 3.019 -1.713 -23.508 1.00 31.54 H new ATOM 0 HD3 LYS A 16 3.525 -2.754 -24.824 1.00 31.54 H new ATOM 0 HE2 LYS A 16 4.923 -4.047 -23.094 1.00 74.02 H new ATOM 0 HE3 LYS A 16 4.088 -3.125 -21.860 1.00 74.02 H new ATOM 0 HZ1 LYS A 16 2.467 -4.612 -21.976 1.00 44.20 H new ATOM 0 HZ2 LYS A 16 2.112 -4.087 -23.551 1.00 44.20 H new ATOM 0 HZ3 LYS A 16 3.181 -5.384 -23.310 1.00 44.20 H new ATOM 254 N LEU A 17 6.226 1.803 -22.028 1.00 62.20 N ATOM 255 CA LEU A 17 7.309 1.948 -21.061 1.00 41.24 C ATOM 256 C LEU A 17 6.781 1.850 -19.634 1.00 2.44 C ATOM 257 O LEU A 17 7.533 1.568 -18.701 1.00 20.24 O ATOM 258 CB LEU A 17 8.023 3.286 -21.263 1.00 12.11 C ATOM 259 CG LEU A 17 8.753 3.847 -20.043 1.00 5.44 C ATOM 260 CD1 LEU A 17 9.967 4.657 -20.473 1.00 21.32 C ATOM 261 CD2 LEU A 17 7.813 4.699 -19.203 1.00 13.03 C ATOM 0 H LEU A 17 6.132 2.585 -22.676 1.00 62.20 H new ATOM 0 HA LEU A 17 8.019 1.137 -21.222 1.00 41.24 H new ATOM 0 HB2 LEU A 17 8.744 3.172 -22.072 1.00 12.11 H new ATOM 0 HB3 LEU A 17 7.288 4.021 -21.592 1.00 12.11 H new ATOM 0 HG LEU A 17 9.096 3.011 -19.433 1.00 5.44 H new ATOM 0 HD11 LEU A 17 10.474 5.048 -19.591 1.00 21.32 H new ATOM 0 HD12 LEU A 17 10.651 4.018 -21.032 1.00 21.32 H new ATOM 0 HD13 LEU A 17 9.647 5.485 -21.105 1.00 21.32 H new ATOM 0 HD21 LEU A 17 8.350 5.090 -18.339 1.00 13.03 H new ATOM 0 HD22 LEU A 17 7.439 5.528 -19.803 1.00 13.03 H new ATOM 0 HD23 LEU A 17 6.975 4.090 -18.864 1.00 13.03 H new ATOM 273 N VAL A 18 5.483 2.084 -19.471 1.00 32.12 N ATOM 274 CA VAL A 18 4.853 2.019 -18.157 1.00 61.14 C ATOM 275 C VAL A 18 5.099 0.667 -17.497 1.00 13.25 C ATOM 276 O VAL A 18 4.993 0.532 -16.277 1.00 73.34 O ATOM 277 CB VAL A 18 3.335 2.265 -18.250 1.00 24.32 C ATOM 278 CG1 VAL A 18 2.682 1.237 -19.162 1.00 5.23 C ATOM 279 CG2 VAL A 18 2.706 2.237 -16.865 1.00 63.01 C ATOM 0 H VAL A 18 4.847 2.320 -20.232 1.00 32.12 H new ATOM 0 HA VAL A 18 5.304 2.804 -17.550 1.00 61.14 H new ATOM 0 HB VAL A 18 3.170 3.253 -18.680 1.00 24.32 H new ATOM 0 HG11 VAL A 18 1.610 1.427 -19.215 1.00 5.23 H new ATOM 0 HG12 VAL A 18 3.114 1.310 -20.160 1.00 5.23 H new ATOM 0 HG13 VAL A 18 2.854 0.237 -18.765 1.00 5.23 H new ATOM 0 HG21 VAL A 18 1.633 2.412 -16.949 1.00 63.01 H new ATOM 0 HG22 VAL A 18 2.880 1.264 -16.406 1.00 63.01 H new ATOM 0 HG23 VAL A 18 3.154 3.015 -16.246 1.00 63.01 H new ATOM 289 N PHE A 19 5.428 -0.331 -18.309 1.00 70.41 N ATOM 290 CA PHE A 19 5.689 -1.674 -17.804 1.00 34.24 C ATOM 291 C PHE A 19 6.669 -1.635 -16.635 1.00 40.40 C ATOM 292 O PHE A 19 6.622 -2.480 -15.741 1.00 74.14 O ATOM 293 CB PHE A 19 6.243 -2.563 -18.919 1.00 34.31 C ATOM 294 CG PHE A 19 7.716 -2.387 -19.150 1.00 23.45 C ATOM 295 CD1 PHE A 19 8.203 -1.246 -19.766 1.00 50.10 C ATOM 296 CD2 PHE A 19 8.615 -3.363 -18.749 1.00 71.15 C ATOM 297 CE1 PHE A 19 9.559 -1.082 -19.980 1.00 75.01 C ATOM 298 CE2 PHE A 19 9.972 -3.205 -18.961 1.00 13.55 C ATOM 299 CZ PHE A 19 10.444 -2.062 -19.576 1.00 1.12 C ATOM 0 H PHE A 19 5.520 -0.236 -19.320 1.00 70.41 H new ATOM 0 HA PHE A 19 4.746 -2.091 -17.451 1.00 34.24 H new ATOM 0 HB2 PHE A 19 6.044 -3.606 -18.674 1.00 34.31 H new ATOM 0 HB3 PHE A 19 5.710 -2.346 -19.845 1.00 34.31 H new ATOM 0 HD1 PHE A 19 7.516 -0.476 -20.083 1.00 50.10 H new ATOM 0 HD2 PHE A 19 8.251 -4.257 -18.265 1.00 71.15 H new ATOM 0 HE1 PHE A 19 9.926 -0.188 -20.463 1.00 75.01 H new ATOM 0 HE2 PHE A 19 10.662 -3.974 -18.646 1.00 13.55 H new ATOM 0 HZ PHE A 19 11.504 -1.935 -19.741 1.00 1.12 H new ATOM 309 N PHE A 20 7.558 -0.647 -16.649 1.00 53.43 N ATOM 310 CA PHE A 20 8.551 -0.497 -15.592 1.00 40.53 C ATOM 311 C PHE A 20 7.890 -0.516 -14.217 1.00 75.14 C ATOM 312 O PHE A 20 8.493 -0.939 -13.232 1.00 64.53 O ATOM 313 CB PHE A 20 9.331 0.807 -15.777 1.00 55.12 C ATOM 314 CG PHE A 20 8.652 2.002 -15.172 1.00 54.40 C ATOM 315 CD1 PHE A 20 7.445 2.460 -15.677 1.00 21.20 C ATOM 316 CD2 PHE A 20 9.220 2.668 -14.098 1.00 14.31 C ATOM 317 CE1 PHE A 20 6.819 3.560 -15.122 1.00 72.04 C ATOM 318 CE2 PHE A 20 8.598 3.769 -13.539 1.00 33.11 C ATOM 319 CZ PHE A 20 7.395 4.215 -14.051 1.00 61.53 C ATOM 0 H PHE A 20 7.611 0.062 -17.381 1.00 53.43 H new ATOM 0 HA PHE A 20 9.241 -1.338 -15.655 1.00 40.53 H new ATOM 0 HB2 PHE A 20 10.319 0.696 -15.331 1.00 55.12 H new ATOM 0 HB3 PHE A 20 9.480 0.984 -16.842 1.00 55.12 H new ATOM 0 HD1 PHE A 20 6.989 1.952 -16.513 1.00 21.20 H new ATOM 0 HD2 PHE A 20 10.160 2.323 -13.693 1.00 14.31 H new ATOM 0 HE1 PHE A 20 5.879 3.907 -15.526 1.00 72.04 H new ATOM 0 HE2 PHE A 20 9.052 4.280 -12.703 1.00 33.11 H new ATOM 0 HZ PHE A 20 6.906 5.074 -13.615 1.00 61.53 H new ATOM 329 N ALA A 21 6.645 -0.054 -14.160 1.00 33.12 N ATOM 330 CA ALA A 21 5.900 -0.019 -12.907 1.00 60.52 C ATOM 331 C ALA A 21 5.040 -1.268 -12.745 1.00 55.15 C ATOM 332 O ALA A 21 4.699 -1.657 -11.629 1.00 21.20 O ATOM 333 CB ALA A 21 5.036 1.231 -12.841 1.00 44.41 C ATOM 0 H ALA A 21 6.131 0.301 -14.966 1.00 33.12 H new ATOM 0 HA ALA A 21 6.618 0.005 -12.087 1.00 60.52 H new ATOM 0 HB1 ALA A 21 4.486 1.244 -11.900 1.00 44.41 H new ATOM 0 HB2 ALA A 21 5.670 2.115 -12.902 1.00 44.41 H new ATOM 0 HB3 ALA A 21 4.332 1.231 -13.673 1.00 44.41 H new ATOM 339 N GLU A 22 4.691 -1.890 -13.867 1.00 70.33 N ATOM 340 CA GLU A 22 3.868 -3.094 -13.848 1.00 64.22 C ATOM 341 C GLU A 22 4.699 -4.314 -13.460 1.00 35.34 C ATOM 342 O GLU A 22 4.172 -5.293 -12.930 1.00 64.43 O ATOM 343 CB GLU A 22 3.222 -3.319 -15.217 1.00 13.53 C ATOM 344 CG GLU A 22 1.969 -4.176 -15.164 1.00 75.14 C ATOM 345 CD GLU A 22 2.259 -5.648 -15.385 1.00 22.04 C ATOM 346 OE1 GLU A 22 2.738 -6.000 -16.483 1.00 54.34 O ATOM 347 OE2 GLU A 22 2.008 -6.448 -14.459 1.00 45.21 O ATOM 0 H GLU A 22 4.965 -1.581 -14.800 1.00 70.33 H new ATOM 0 HA GLU A 22 3.085 -2.956 -13.103 1.00 64.22 H new ATOM 0 HB2 GLU A 22 2.973 -2.353 -15.655 1.00 13.53 H new ATOM 0 HB3 GLU A 22 3.948 -3.792 -15.879 1.00 13.53 H new ATOM 0 HG2 GLU A 22 1.485 -4.046 -14.196 1.00 75.14 H new ATOM 0 HG3 GLU A 22 1.265 -3.831 -15.921 1.00 75.14 H new ATOM 354 N ASP A 23 5.998 -4.248 -13.727 1.00 1.52 N ATOM 355 CA ASP A 23 6.902 -5.346 -13.405 1.00 42.42 C ATOM 356 C ASP A 23 7.683 -5.051 -12.128 1.00 54.31 C ATOM 357 O ASP A 23 8.856 -5.404 -12.009 1.00 72.43 O ATOM 358 CB ASP A 23 7.870 -5.594 -14.563 1.00 51.44 C ATOM 359 CG ASP A 23 8.414 -7.009 -14.570 1.00 50.44 C ATOM 360 OD1 ASP A 23 7.699 -7.921 -14.106 1.00 1.11 O ATOM 361 OD2 ASP A 23 9.555 -7.204 -15.040 1.00 10.33 O ATOM 0 H ASP A 23 6.449 -3.445 -14.166 1.00 1.52 H new ATOM 0 HA ASP A 23 6.302 -6.242 -13.244 1.00 42.42 H new ATOM 0 HB2 ASP A 23 7.360 -5.399 -15.507 1.00 51.44 H new ATOM 0 HB3 ASP A 23 8.699 -4.889 -14.497 1.00 51.44 H new ATOM 366 N VAL A 24 7.024 -4.399 -11.175 1.00 33.41 N ATOM 367 CA VAL A 24 7.655 -4.057 -9.906 1.00 43.44 C ATOM 368 C VAL A 24 7.699 -5.260 -8.971 1.00 42.14 C ATOM 369 O VAL A 24 8.557 -5.346 -8.093 1.00 74.24 O ATOM 370 CB VAL A 24 6.915 -2.902 -9.205 1.00 24.01 C ATOM 371 CG1 VAL A 24 7.087 -1.607 -9.984 1.00 14.34 C ATOM 372 CG2 VAL A 24 5.442 -3.240 -9.034 1.00 22.04 C ATOM 0 H VAL A 24 6.053 -4.097 -11.258 1.00 33.41 H new ATOM 0 HA VAL A 24 8.673 -3.741 -10.134 1.00 43.44 H new ATOM 0 HB VAL A 24 7.349 -2.762 -8.215 1.00 24.01 H new ATOM 0 HG11 VAL A 24 6.557 -0.802 -9.474 1.00 14.34 H new ATOM 0 HG12 VAL A 24 8.147 -1.360 -10.049 1.00 14.34 H new ATOM 0 HG13 VAL A 24 6.680 -1.730 -10.988 1.00 14.34 H new ATOM 0 HG21 VAL A 24 4.934 -2.413 -8.537 1.00 22.04 H new ATOM 0 HG22 VAL A 24 4.991 -3.407 -10.012 1.00 22.04 H new ATOM 0 HG23 VAL A 24 5.343 -4.142 -8.430 1.00 22.04 H new ATOM 382 N GLY A 25 6.768 -6.189 -9.167 1.00 11.33 N ATOM 383 CA GLY A 25 6.718 -7.376 -8.334 1.00 10.15 C ATOM 384 C GLY A 25 7.344 -8.582 -9.005 1.00 31.20 C ATOM 385 O GLY A 25 7.585 -8.574 -10.212 1.00 53.21 O ATOM 0 H GLY A 25 6.048 -6.141 -9.888 1.00 11.33 H new ATOM 0 HA2 GLY A 25 7.234 -7.179 -7.394 1.00 10.15 H new ATOM 0 HA3 GLY A 25 5.680 -7.599 -8.087 1.00 10.15 H new ATOM 389 N SER A 26 7.610 -9.622 -8.221 1.00 75.32 N ATOM 390 CA SER A 26 8.217 -10.840 -8.746 1.00 53.32 C ATOM 391 C SER A 26 7.147 -11.855 -9.138 1.00 42.43 C ATOM 392 O SER A 26 6.223 -12.126 -8.373 1.00 50.40 O ATOM 393 CB SER A 26 9.161 -11.452 -7.710 1.00 2.31 C ATOM 394 OG SER A 26 9.839 -12.578 -8.240 1.00 12.13 O ATOM 0 H SER A 26 7.415 -9.646 -7.220 1.00 75.32 H new ATOM 0 HA SER A 26 8.788 -10.577 -9.637 1.00 53.32 H new ATOM 0 HB2 SER A 26 9.887 -10.705 -7.388 1.00 2.31 H new ATOM 0 HB3 SER A 26 8.595 -11.747 -6.827 1.00 2.31 H new ATOM 0 HG SER A 26 10.313 -13.044 -7.519 1.00 12.13 H new ATOM 400 N ASN A 27 7.281 -12.412 -10.337 1.00 60.53 N ATOM 401 CA ASN A 27 6.326 -13.397 -10.833 1.00 24.41 C ATOM 402 C ASN A 27 6.932 -14.798 -10.818 1.00 43.51 C ATOM 403 O ASN A 27 6.520 -15.656 -10.038 1.00 25.31 O ATOM 404 CB ASN A 27 5.881 -13.037 -12.252 1.00 33.45 C ATOM 405 CG ASN A 27 4.762 -13.932 -12.751 1.00 3.24 C ATOM 406 OD1 ASN A 27 4.327 -14.848 -12.053 1.00 65.53 O ATOM 407 ND2 ASN A 27 4.291 -13.669 -13.964 1.00 44.31 N ATOM 0 H ASN A 27 8.041 -12.199 -10.983 1.00 60.53 H new ATOM 0 HA ASN A 27 5.458 -13.389 -10.174 1.00 24.41 H new ATOM 0 HB2 ASN A 27 5.549 -11.999 -12.274 1.00 33.45 H new ATOM 0 HB3 ASN A 27 6.733 -13.114 -12.928 1.00 33.45 H new ATOM 0 HD21 ASN A 27 3.538 -14.237 -14.353 1.00 44.31 H new ATOM 0 HD22 ASN A 27 4.682 -12.899 -14.507 1.00 44.31 H new ATOM 414 N LYS A 28 7.914 -15.021 -11.686 1.00 15.23 N ATOM 415 CA LYS A 28 8.579 -16.315 -11.773 1.00 31.24 C ATOM 416 C LYS A 28 7.594 -17.407 -12.179 1.00 42.12 C ATOM 417 O LYS A 28 7.861 -18.595 -12.000 1.00 54.43 O ATOM 418 CB LYS A 28 9.225 -16.670 -10.432 1.00 25.52 C ATOM 419 CG LYS A 28 10.096 -15.563 -9.864 1.00 15.34 C ATOM 420 CD LYS A 28 11.365 -16.116 -9.238 1.00 11.11 C ATOM 421 CE LYS A 28 12.385 -15.017 -8.982 1.00 71.10 C ATOM 422 NZ LYS A 28 12.845 -14.381 -10.248 1.00 34.32 N ATOM 0 H LYS A 28 8.266 -14.321 -12.339 1.00 15.23 H new ATOM 0 HA LYS A 28 9.354 -16.247 -12.537 1.00 31.24 H new ATOM 0 HB2 LYS A 28 8.442 -16.909 -9.713 1.00 25.52 H new ATOM 0 HB3 LYS A 28 9.829 -17.569 -10.556 1.00 25.52 H new ATOM 0 HG2 LYS A 28 10.356 -14.861 -10.656 1.00 15.34 H new ATOM 0 HG3 LYS A 28 9.534 -15.005 -9.116 1.00 15.34 H new ATOM 0 HD2 LYS A 28 11.122 -16.614 -8.299 1.00 11.11 H new ATOM 0 HD3 LYS A 28 11.798 -16.870 -9.896 1.00 11.11 H new ATOM 0 HE2 LYS A 28 11.947 -14.259 -8.333 1.00 71.10 H new ATOM 0 HE3 LYS A 28 13.242 -15.433 -8.452 1.00 71.10 H new ATOM 0 HZ1 LYS A 28 13.760 -13.913 -10.089 1.00 34.32 H new ATOM 0 HZ2 LYS A 28 12.952 -15.109 -10.983 1.00 34.32 H new ATOM 0 HZ3 LYS A 28 12.145 -13.677 -10.557 1.00 34.32 H new ATOM 436 N GLY A 29 6.455 -16.996 -12.729 1.00 3.13 N ATOM 437 CA GLY A 29 5.449 -17.952 -13.153 1.00 42.43 C ATOM 438 C GLY A 29 4.955 -17.686 -14.561 1.00 55.23 C ATOM 439 O GLY A 29 3.772 -17.858 -14.853 1.00 54.35 O ATOM 0 H GLY A 29 6.211 -16.018 -12.888 1.00 3.13 H new ATOM 0 HA2 GLY A 29 5.864 -18.959 -13.101 1.00 42.43 H new ATOM 0 HA3 GLY A 29 4.606 -17.918 -12.463 1.00 42.43 H new ATOM 443 N ALA A 30 5.862 -17.264 -15.436 1.00 11.43 N ATOM 444 CA ALA A 30 5.511 -16.974 -16.820 1.00 43.35 C ATOM 445 C ALA A 30 6.403 -17.747 -17.786 1.00 4.40 C ATOM 446 O ALA A 30 6.667 -17.293 -18.900 1.00 73.53 O ATOM 447 CB ALA A 30 5.611 -15.479 -17.088 1.00 72.24 C ATOM 0 H ALA A 30 6.846 -17.115 -15.210 1.00 11.43 H new ATOM 0 HA ALA A 30 4.481 -17.293 -16.982 1.00 43.35 H new ATOM 0 HB1 ALA A 30 5.346 -15.277 -18.126 1.00 72.24 H new ATOM 0 HB2 ALA A 30 4.927 -14.945 -16.428 1.00 72.24 H new ATOM 0 HB3 ALA A 30 6.631 -15.143 -16.902 1.00 72.24 H new ATOM 453 N ILE A 31 6.866 -18.914 -17.351 1.00 53.03 N ATOM 454 CA ILE A 31 7.728 -19.749 -18.178 1.00 70.20 C ATOM 455 C ILE A 31 6.996 -20.227 -19.428 1.00 21.35 C ATOM 456 O ILE A 31 7.616 -20.501 -20.456 1.00 22.15 O ATOM 457 CB ILE A 31 8.242 -20.974 -17.398 1.00 12.43 C ATOM 458 CG1 ILE A 31 7.071 -21.859 -16.967 1.00 31.14 C ATOM 459 CG2 ILE A 31 9.051 -20.529 -16.188 1.00 74.41 C ATOM 460 CD1 ILE A 31 7.499 -23.114 -16.239 1.00 34.31 C ATOM 0 H ILE A 31 6.659 -19.302 -16.431 1.00 53.03 H new ATOM 0 HA ILE A 31 8.578 -19.132 -18.471 1.00 70.20 H new ATOM 0 HB ILE A 31 8.892 -21.557 -18.051 1.00 12.43 H new ATOM 0 HG12 ILE A 31 6.408 -21.282 -16.322 1.00 31.14 H new ATOM 0 HG13 ILE A 31 6.494 -22.139 -17.848 1.00 31.14 H new ATOM 0 HG21 ILE A 31 9.408 -21.405 -15.647 1.00 74.41 H new ATOM 0 HG22 ILE A 31 9.903 -19.935 -16.518 1.00 74.41 H new ATOM 0 HG23 ILE A 31 8.422 -19.928 -15.531 1.00 74.41 H new ATOM 0 HD11 ILE A 31 6.618 -23.693 -15.963 1.00 34.31 H new ATOM 0 HD12 ILE A 31 8.137 -23.712 -16.889 1.00 34.31 H new ATOM 0 HD13 ILE A 31 8.051 -22.842 -15.339 1.00 34.31 H new ATOM 472 N ILE A 32 5.674 -20.324 -19.332 1.00 4.52 N ATOM 473 CA ILE A 32 4.858 -20.765 -20.455 1.00 72.54 C ATOM 474 C ILE A 32 4.871 -19.738 -21.582 1.00 55.10 C ATOM 475 O ILE A 32 4.713 -20.082 -22.752 1.00 75.44 O ATOM 476 CB ILE A 32 3.401 -21.022 -20.026 1.00 61.02 C ATOM 477 CG1 ILE A 32 3.351 -22.074 -18.916 1.00 3.52 C ATOM 478 CG2 ILE A 32 2.567 -21.464 -21.219 1.00 64.15 C ATOM 479 CD1 ILE A 32 3.329 -21.482 -17.524 1.00 14.22 C ATOM 0 H ILE A 32 5.146 -20.103 -18.488 1.00 4.52 H new ATOM 0 HA ILE A 32 5.293 -21.698 -20.813 1.00 72.54 H new ATOM 0 HB ILE A 32 2.983 -20.093 -19.640 1.00 61.02 H new ATOM 0 HG12 ILE A 32 2.465 -22.693 -19.053 1.00 3.52 H new ATOM 0 HG13 ILE A 32 4.216 -22.731 -19.009 1.00 3.52 H new ATOM 0 HG21 ILE A 32 1.540 -21.642 -20.899 1.00 64.15 H new ATOM 0 HG22 ILE A 32 2.580 -20.685 -21.981 1.00 64.15 H new ATOM 0 HG23 ILE A 32 2.982 -22.383 -21.633 1.00 64.15 H new ATOM 0 HD11 ILE A 32 3.294 -22.285 -16.788 1.00 14.22 H new ATOM 0 HD12 ILE A 32 4.228 -20.886 -17.368 1.00 14.22 H new ATOM 0 HD13 ILE A 32 2.449 -20.848 -17.412 1.00 14.22 H new ATOM 491 N GLY A 33 5.062 -18.473 -21.220 1.00 14.21 N ATOM 492 CA GLY A 33 5.093 -17.414 -22.212 1.00 5.02 C ATOM 493 C GLY A 33 6.504 -17.069 -22.647 1.00 20.41 C ATOM 494 O GLY A 33 7.332 -16.663 -21.830 1.00 52.34 O ATOM 0 H GLY A 33 5.196 -18.163 -20.258 1.00 14.21 H new ATOM 0 HA2 GLY A 33 4.512 -17.718 -23.082 1.00 5.02 H new ATOM 0 HA3 GLY A 33 4.614 -16.524 -21.804 1.00 5.02 H new ATOM 498 N LEU A 34 6.780 -17.233 -23.936 1.00 23.31 N ATOM 499 CA LEU A 34 8.102 -16.938 -24.479 1.00 31.14 C ATOM 500 C LEU A 34 8.543 -15.528 -24.100 1.00 65.02 C ATOM 501 O LEU A 34 9.720 -15.286 -23.835 1.00 24.05 O ATOM 502 CB LEU A 34 8.096 -17.092 -26.001 1.00 12.25 C ATOM 503 CG LEU A 34 9.449 -16.938 -26.696 1.00 51.01 C ATOM 504 CD1 LEU A 34 10.153 -18.282 -26.798 1.00 34.31 C ATOM 505 CD2 LEU A 34 9.272 -16.321 -28.076 1.00 2.54 C ATOM 0 H LEU A 34 6.107 -17.569 -24.625 1.00 23.31 H new ATOM 0 HA LEU A 34 8.811 -17.648 -24.052 1.00 31.14 H new ATOM 0 HB2 LEU A 34 7.694 -18.075 -26.245 1.00 12.25 H new ATOM 0 HB3 LEU A 34 7.410 -16.355 -26.418 1.00 12.25 H new ATOM 0 HG LEU A 34 10.069 -16.271 -26.098 1.00 51.01 H new ATOM 0 HD11 LEU A 34 11.114 -18.152 -27.295 1.00 34.31 H new ATOM 0 HD12 LEU A 34 10.313 -18.686 -25.798 1.00 34.31 H new ATOM 0 HD13 LEU A 34 9.537 -18.973 -27.374 1.00 34.31 H new ATOM 0 HD21 LEU A 34 10.245 -16.219 -28.556 1.00 2.54 H new ATOM 0 HD22 LEU A 34 8.634 -16.963 -28.683 1.00 2.54 H new ATOM 0 HD23 LEU A 34 8.810 -15.338 -27.979 1.00 2.54 H new ATOM 517 N MET A 35 7.591 -14.602 -24.076 1.00 12.31 N ATOM 518 CA MET A 35 7.881 -13.216 -23.726 1.00 64.13 C ATOM 519 C MET A 35 6.797 -12.646 -22.818 1.00 0.34 C ATOM 520 O MET A 35 5.625 -13.003 -22.934 1.00 13.03 O ATOM 521 CB MET A 35 8.004 -12.364 -24.991 1.00 1.43 C ATOM 522 CG MET A 35 6.734 -12.327 -25.825 1.00 13.15 C ATOM 523 SD MET A 35 6.666 -13.652 -27.045 1.00 72.05 S ATOM 524 CE MET A 35 5.415 -13.020 -28.161 1.00 63.35 C ATOM 0 H MET A 35 6.612 -14.786 -24.295 1.00 12.31 H new ATOM 0 HA MET A 35 8.829 -13.194 -23.188 1.00 64.13 H new ATOM 0 HB2 MET A 35 8.273 -11.346 -24.709 1.00 1.43 H new ATOM 0 HB3 MET A 35 8.819 -12.751 -25.602 1.00 1.43 H new ATOM 0 HG2 MET A 35 5.869 -12.400 -25.166 1.00 13.15 H new ATOM 0 HG3 MET A 35 6.666 -11.366 -26.334 1.00 13.15 H new ATOM 0 HE1 MET A 35 5.259 -13.730 -28.973 1.00 63.35 H new ATOM 0 HE2 MET A 35 4.481 -12.879 -27.618 1.00 63.35 H new ATOM 0 HE3 MET A 35 5.743 -12.065 -28.572 1.00 63.35 H new ATOM 534 N VAL A 36 7.196 -11.757 -21.913 1.00 21.42 N ATOM 535 CA VAL A 36 6.258 -11.137 -20.985 1.00 30.21 C ATOM 536 C VAL A 36 5.877 -9.734 -21.444 1.00 74.55 C ATOM 537 O VAL A 36 6.542 -9.147 -22.297 1.00 14.24 O ATOM 538 CB VAL A 36 6.845 -11.058 -19.563 1.00 13.21 C ATOM 539 CG1 VAL A 36 7.003 -12.450 -18.972 1.00 32.41 C ATOM 540 CG2 VAL A 36 8.176 -10.321 -19.577 1.00 35.15 C ATOM 0 H VAL A 36 8.163 -11.450 -21.803 1.00 21.42 H new ATOM 0 HA VAL A 36 5.367 -11.765 -20.968 1.00 30.21 H new ATOM 0 HB VAL A 36 6.153 -10.499 -18.933 1.00 13.21 H new ATOM 0 HG11 VAL A 36 7.419 -12.374 -17.967 1.00 32.41 H new ATOM 0 HG12 VAL A 36 6.030 -12.938 -18.926 1.00 32.41 H new ATOM 0 HG13 VAL A 36 7.674 -13.037 -19.599 1.00 32.41 H new ATOM 0 HG21 VAL A 36 8.577 -10.274 -18.564 1.00 35.15 H new ATOM 0 HG22 VAL A 36 8.878 -10.850 -20.221 1.00 35.15 H new ATOM 0 HG23 VAL A 36 8.028 -9.310 -19.956 1.00 35.15 H new ATOM 550 N GLY A 37 4.800 -9.202 -20.873 1.00 63.41 N ATOM 551 CA GLY A 37 4.349 -7.872 -21.236 1.00 53.05 C ATOM 552 C GLY A 37 5.404 -6.813 -20.986 1.00 13.14 C ATOM 553 O GLY A 37 5.344 -5.721 -21.549 1.00 73.14 O ATOM 0 H GLY A 37 4.232 -9.669 -20.166 1.00 63.41 H new ATOM 0 HA2 GLY A 37 4.071 -7.861 -22.290 1.00 53.05 H new ATOM 0 HA3 GLY A 37 3.452 -7.628 -20.667 1.00 53.05 H new ATOM 557 N GLY A 38 6.373 -7.135 -20.135 1.00 24.22 N ATOM 558 CA GLY A 38 7.431 -6.192 -19.824 1.00 4.11 C ATOM 559 C GLY A 38 8.357 -5.951 -21.000 1.00 25.14 C ATOM 560 O GLY A 38 8.760 -4.817 -21.260 1.00 62.31 O ATOM 0 H GLY A 38 6.444 -8.032 -19.655 1.00 24.22 H new ATOM 0 HA2 GLY A 38 6.990 -5.245 -19.513 1.00 4.11 H new ATOM 0 HA3 GLY A 38 8.010 -6.566 -18.980 1.00 4.11 H new ATOM 564 N VAL A 39 8.698 -7.021 -21.711 1.00 41.24 N ATOM 565 CA VAL A 39 9.583 -6.921 -22.866 1.00 3.14 C ATOM 566 C VAL A 39 8.821 -6.468 -24.105 1.00 53.35 C ATOM 567 O VAL A 39 9.398 -5.888 -25.025 1.00 51.42 O ATOM 568 CB VAL A 39 10.272 -8.266 -23.163 1.00 72.21 C ATOM 569 CG1 VAL A 39 11.247 -8.624 -22.052 1.00 31.40 C ATOM 570 CG2 VAL A 39 9.236 -9.365 -23.349 1.00 50.42 C ATOM 0 H VAL A 39 8.375 -7.967 -21.508 1.00 41.24 H new ATOM 0 HA VAL A 39 10.342 -6.179 -22.619 1.00 3.14 H new ATOM 0 HB VAL A 39 10.836 -8.168 -24.091 1.00 72.21 H new ATOM 0 HG11 VAL A 39 11.724 -9.577 -22.280 1.00 31.40 H new ATOM 0 HG12 VAL A 39 12.008 -7.848 -21.971 1.00 31.40 H new ATOM 0 HG13 VAL A 39 10.709 -8.704 -21.107 1.00 31.40 H new ATOM 0 HG21 VAL A 39 9.740 -10.309 -23.558 1.00 50.42 H new ATOM 0 HG22 VAL A 39 8.643 -9.464 -22.440 1.00 50.42 H new ATOM 0 HG23 VAL A 39 8.582 -9.111 -24.183 1.00 50.42 H new ATOM 580 N VAL A 40 7.519 -6.736 -24.124 1.00 11.12 N ATOM 581 CA VAL A 40 6.675 -6.354 -25.250 1.00 64.32 C ATOM 582 C VAL A 40 5.310 -5.870 -24.775 1.00 61.12 C ATOM 583 O VAL A 40 4.531 -6.636 -24.207 1.00 44.15 O ATOM 584 CB VAL A 40 6.480 -7.528 -26.228 1.00 30.20 C ATOM 585 CG1 VAL A 40 7.762 -7.798 -27.002 1.00 35.04 C ATOM 586 CG2 VAL A 40 6.026 -8.773 -25.481 1.00 62.30 C ATOM 0 H VAL A 40 7.026 -7.217 -23.372 1.00 11.12 H new ATOM 0 HA VAL A 40 7.185 -5.541 -25.767 1.00 64.32 H new ATOM 0 HB VAL A 40 5.703 -7.257 -26.943 1.00 30.20 H new ATOM 0 HG11 VAL A 40 7.605 -8.631 -27.688 1.00 35.04 H new ATOM 0 HG12 VAL A 40 8.039 -6.909 -27.568 1.00 35.04 H new ATOM 0 HG13 VAL A 40 8.562 -8.048 -26.305 1.00 35.04 H new ATOM 0 HG21 VAL A 40 5.893 -9.593 -26.187 1.00 62.30 H new ATOM 0 HG22 VAL A 40 6.779 -9.049 -24.742 1.00 62.30 H new ATOM 0 HG23 VAL A 40 5.081 -8.571 -24.978 1.00 62.30 H new TER 596 VAL A 40