USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 306 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+ -170:sc= 0 (180deg=-0.0883) USER MOD Single : A 6 HIS : no HD1:sc= -0.0393 X(o=-0.039,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= -0.126 X(o=-0.13,f=-0.00099) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -2.68 K(o=-2.7,f=-2.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 150:sc= -0.938 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -178:sc= -3.33! (180deg=-3.42!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.278 -2.254 -11.244 1.00 64.45 N ATOM 2 CA ASP A 1 0.976 -2.072 -9.977 1.00 21.51 C ATOM 3 C ASP A 1 1.056 -3.387 -9.207 1.00 62.12 C ATOM 4 O ASP A 1 0.050 -3.886 -8.705 1.00 13.25 O ATOM 5 CB ASP A 1 0.270 -1.013 -9.129 1.00 62.02 C ATOM 6 CG ASP A 1 0.260 0.349 -9.795 1.00 73.23 C ATOM 7 OD1 ASP A 1 1.315 1.018 -9.796 1.00 34.42 O ATOM 8 OD2 ASP A 1 -0.803 0.745 -10.317 1.00 51.40 O ATOM 0 H1 ASP A 1 0.382 -1.397 -11.824 1.00 64.45 H new ATOM 0 H2 ASP A 1 0.685 -3.066 -11.751 1.00 64.45 H new ATOM 0 H3 ASP A 1 -0.731 -2.429 -11.062 1.00 64.45 H new ATOM 0 HA ASP A 1 1.990 -1.736 -10.194 1.00 21.51 H new ATOM 0 HB2 ASP A 1 -0.756 -1.329 -8.939 1.00 62.02 H new ATOM 0 HB3 ASP A 1 0.765 -0.937 -8.161 1.00 62.02 H new ATOM 13 N ALA A 2 2.260 -3.944 -9.120 1.00 51.34 N ATOM 14 CA ALA A 2 2.472 -5.200 -8.412 1.00 15.45 C ATOM 15 C ALA A 2 2.655 -4.962 -6.916 1.00 70.04 C ATOM 16 O ALA A 2 2.149 -5.722 -6.092 1.00 34.02 O ATOM 17 CB ALA A 2 3.676 -5.932 -8.983 1.00 45.13 C ATOM 0 H ALA A 2 3.103 -3.544 -9.531 1.00 51.34 H new ATOM 0 HA ALA A 2 1.586 -5.820 -8.550 1.00 15.45 H new ATOM 0 HB1 ALA A 2 3.822 -6.868 -8.444 1.00 45.13 H new ATOM 0 HB2 ALA A 2 3.506 -6.144 -10.039 1.00 45.13 H new ATOM 0 HB3 ALA A 2 4.564 -5.310 -8.876 1.00 45.13 H new ATOM 23 N GLU A 3 3.383 -3.903 -6.575 1.00 33.20 N ATOM 24 CA GLU A 3 3.634 -3.568 -5.178 1.00 54.23 C ATOM 25 C GLU A 3 2.329 -3.251 -4.452 1.00 63.21 C ATOM 26 O GLU A 3 2.044 -3.810 -3.393 1.00 20.22 O ATOM 27 CB GLU A 3 4.587 -2.375 -5.080 1.00 60.14 C ATOM 28 CG GLU A 3 5.282 -2.261 -3.734 1.00 43.52 C ATOM 29 CD GLU A 3 4.771 -1.094 -2.911 1.00 21.31 C ATOM 30 OE1 GLU A 3 3.538 -0.901 -2.859 1.00 23.14 O ATOM 31 OE2 GLU A 3 5.603 -0.375 -2.320 1.00 11.14 O ATOM 0 H GLU A 3 3.809 -3.263 -7.246 1.00 33.20 H new ATOM 0 HA GLU A 3 4.095 -4.433 -4.701 1.00 54.23 H new ATOM 0 HB2 GLU A 3 5.341 -2.458 -5.863 1.00 60.14 H new ATOM 0 HB3 GLU A 3 4.029 -1.458 -5.270 1.00 60.14 H new ATOM 0 HG2 GLU A 3 5.138 -3.186 -3.175 1.00 43.52 H new ATOM 0 HG3 GLU A 3 6.355 -2.148 -3.891 1.00 43.52 H new ATOM 38 N PHE A 4 1.541 -2.350 -5.029 1.00 63.23 N ATOM 39 CA PHE A 4 0.268 -1.957 -4.437 1.00 71.13 C ATOM 40 C PHE A 4 -0.622 -3.174 -4.203 1.00 61.51 C ATOM 41 O PHE A 4 -1.408 -3.209 -3.256 1.00 61.22 O ATOM 42 CB PHE A 4 -0.450 -0.953 -5.341 1.00 14.32 C ATOM 43 CG PHE A 4 -1.606 -0.264 -4.672 1.00 45.11 C ATOM 44 CD1 PHE A 4 -1.474 0.255 -3.394 1.00 51.33 C ATOM 45 CD2 PHE A 4 -2.823 -0.136 -5.321 1.00 70.41 C ATOM 46 CE1 PHE A 4 -2.535 0.890 -2.776 1.00 51.11 C ATOM 47 CE2 PHE A 4 -3.887 0.498 -4.708 1.00 72.32 C ATOM 48 CZ PHE A 4 -3.744 1.010 -3.434 1.00 5.42 C ATOM 0 H PHE A 4 1.762 -1.878 -5.906 1.00 63.23 H new ATOM 0 HA PHE A 4 0.473 -1.488 -3.475 1.00 71.13 H new ATOM 0 HB2 PHE A 4 0.265 -0.202 -5.677 1.00 14.32 H new ATOM 0 HB3 PHE A 4 -0.811 -1.470 -6.230 1.00 14.32 H new ATOM 0 HD1 PHE A 4 -0.531 0.162 -2.875 1.00 51.33 H new ATOM 0 HD2 PHE A 4 -2.942 -0.536 -6.317 1.00 70.41 H new ATOM 0 HE1 PHE A 4 -2.419 1.292 -1.780 1.00 51.11 H new ATOM 0 HE2 PHE A 4 -4.830 0.593 -5.226 1.00 72.32 H new ATOM 0 HZ PHE A 4 -4.575 1.503 -2.953 1.00 5.42 H new ATOM 58 N ARG A 5 -0.492 -4.171 -5.073 1.00 11.20 N ATOM 59 CA ARG A 5 -1.285 -5.389 -4.963 1.00 21.32 C ATOM 60 C ARG A 5 -0.516 -6.472 -4.211 1.00 71.01 C ATOM 61 O ARG A 5 -0.792 -7.663 -4.362 1.00 41.34 O ATOM 62 CB ARG A 5 -1.675 -5.897 -6.352 1.00 43.03 C ATOM 63 CG ARG A 5 -2.971 -5.301 -6.877 1.00 30.52 C ATOM 64 CD ARG A 5 -2.882 -3.788 -6.994 1.00 5.00 C ATOM 65 NE ARG A 5 -3.488 -3.114 -5.849 1.00 51.44 N ATOM 66 CZ ARG A 5 -4.796 -2.919 -5.720 1.00 3.44 C ATOM 67 NH1 ARG A 5 -5.629 -3.345 -6.658 1.00 53.13 N ATOM 68 NH2 ARG A 5 -5.272 -2.296 -4.649 1.00 22.43 N ATOM 0 H ARG A 5 0.155 -4.159 -5.861 1.00 11.20 H new ATOM 0 HA ARG A 5 -2.190 -5.154 -4.403 1.00 21.32 H new ATOM 0 HB2 ARG A 5 -0.871 -5.670 -7.052 1.00 43.03 H new ATOM 0 HB3 ARG A 5 -1.771 -6.982 -6.319 1.00 43.03 H new ATOM 0 HG2 ARG A 5 -3.201 -5.729 -7.853 1.00 30.52 H new ATOM 0 HG3 ARG A 5 -3.791 -5.568 -6.211 1.00 30.52 H new ATOM 0 HD2 ARG A 5 -1.836 -3.492 -7.077 1.00 5.00 H new ATOM 0 HD3 ARG A 5 -3.379 -3.465 -7.909 1.00 5.00 H new ATOM 0 HE ARG A 5 -2.874 -2.775 -5.108 1.00 51.44 H new ATOM 0 HH11 ARG A 5 -5.267 -3.824 -7.482 1.00 53.13 H new ATOM 0 HH12 ARG A 5 -6.633 -3.194 -6.556 1.00 53.13 H new ATOM 0 HH21 ARG A 5 -4.634 -1.967 -3.925 1.00 22.43 H new ATOM 0 HH22 ARG A 5 -6.276 -2.146 -4.550 1.00 22.43 H new ATOM 82 N HIS A 6 0.450 -6.051 -3.401 1.00 52.50 N ATOM 83 CA HIS A 6 1.259 -6.984 -2.625 1.00 72.15 C ATOM 84 C HIS A 6 0.871 -6.944 -1.150 1.00 53.05 C ATOM 85 O HIS A 6 1.701 -7.183 -0.273 1.00 40.24 O ATOM 86 CB HIS A 6 2.744 -6.658 -2.783 1.00 42.40 C ATOM 87 CG HIS A 6 3.620 -7.871 -2.857 1.00 55.41 C ATOM 88 ND1 HIS A 6 4.788 -7.912 -3.588 1.00 1.11 N ATOM 89 CD2 HIS A 6 3.492 -9.091 -2.285 1.00 1.43 C ATOM 90 CE1 HIS A 6 5.341 -9.105 -3.463 1.00 73.43 C ATOM 91 NE2 HIS A 6 4.574 -9.839 -2.677 1.00 62.51 N ATOM 0 H HIS A 6 0.692 -5.069 -3.265 1.00 52.50 H new ATOM 0 HA HIS A 6 1.073 -7.989 -3.004 1.00 72.15 H new ATOM 0 HB2 HIS A 6 2.883 -6.064 -3.686 1.00 42.40 H new ATOM 0 HB3 HIS A 6 3.063 -6.040 -1.943 1.00 42.40 H new ATOM 0 HD2 HIS A 6 2.688 -9.415 -1.640 1.00 1.43 H new ATOM 0 HE1 HIS A 6 6.263 -9.426 -3.925 1.00 73.43 H new ATOM 0 HE2 HIS A 6 4.756 -10.805 -2.405 1.00 62.51 H new ATOM 99 N ASP A 7 -0.395 -6.640 -0.885 1.00 1.11 N ATOM 100 CA ASP A 7 -0.893 -6.569 0.484 1.00 51.42 C ATOM 101 C ASP A 7 -1.551 -7.883 0.892 1.00 74.05 C ATOM 102 O ASP A 7 -2.569 -8.281 0.325 1.00 61.22 O ATOM 103 CB ASP A 7 -1.891 -5.418 0.627 1.00 60.33 C ATOM 104 CG ASP A 7 -1.521 -4.467 1.748 1.00 51.15 C ATOM 105 OD1 ASP A 7 -1.316 -3.268 1.465 1.00 43.32 O ATOM 106 OD2 ASP A 7 -1.438 -4.921 2.908 1.00 62.25 O ATOM 0 H ASP A 7 -1.095 -6.439 -1.600 1.00 1.11 H new ATOM 0 HA ASP A 7 -0.045 -6.388 1.144 1.00 51.42 H new ATOM 0 HB2 ASP A 7 -1.942 -4.866 -0.312 1.00 60.33 H new ATOM 0 HB3 ASP A 7 -2.885 -5.824 0.812 1.00 60.33 H new ATOM 111 N SER A 8 -0.963 -8.553 1.877 1.00 2.13 N ATOM 112 CA SER A 8 -1.489 -9.825 2.358 1.00 72.12 C ATOM 113 C SER A 8 -2.763 -9.614 3.171 1.00 41.24 C ATOM 114 O SER A 8 -3.438 -10.571 3.547 1.00 55.41 O ATOM 115 CB SER A 8 -0.442 -10.546 3.208 1.00 4.03 C ATOM 116 OG SER A 8 -0.736 -10.427 4.589 1.00 34.43 O ATOM 0 H SER A 8 -0.121 -8.236 2.358 1.00 2.13 H new ATOM 0 HA SER A 8 -1.729 -10.441 1.491 1.00 72.12 H new ATOM 0 HB2 SER A 8 -0.406 -11.599 2.930 1.00 4.03 H new ATOM 0 HB3 SER A 8 0.545 -10.129 3.006 1.00 4.03 H new ATOM 0 HG SER A 8 -0.053 -10.898 5.111 1.00 34.43 H new ATOM 122 N GLY A 9 -3.084 -8.352 3.438 1.00 55.41 N ATOM 123 CA GLY A 9 -4.276 -8.036 4.204 1.00 3.14 C ATOM 124 C GLY A 9 -5.181 -7.053 3.490 1.00 52.41 C ATOM 125 O GLY A 9 -6.398 -7.070 3.677 1.00 51.32 O ATOM 0 H GLY A 9 -2.540 -7.543 3.138 1.00 55.41 H new ATOM 0 HA2 GLY A 9 -4.829 -8.954 4.405 1.00 3.14 H new ATOM 0 HA3 GLY A 9 -3.985 -7.622 5.169 1.00 3.14 H new ATOM 129 N TYR A 10 -4.588 -6.192 2.671 1.00 45.14 N ATOM 130 CA TYR A 10 -5.348 -5.194 1.929 1.00 55.34 C ATOM 131 C TYR A 10 -5.721 -5.712 0.543 1.00 13.00 C ATOM 132 O TYR A 10 -6.627 -5.188 -0.104 1.00 51.30 O ATOM 133 CB TYR A 10 -4.544 -3.899 1.802 1.00 64.24 C ATOM 134 CG TYR A 10 -5.397 -2.651 1.823 1.00 61.13 C ATOM 135 CD1 TYR A 10 -5.522 -1.853 0.692 1.00 12.44 C ATOM 136 CD2 TYR A 10 -6.077 -2.270 2.973 1.00 42.33 C ATOM 137 CE1 TYR A 10 -6.300 -0.711 0.707 1.00 11.00 C ATOM 138 CE2 TYR A 10 -6.858 -1.131 2.996 1.00 10.30 C ATOM 139 CZ TYR A 10 -6.966 -0.355 1.861 1.00 54.40 C ATOM 140 OH TYR A 10 -7.742 0.782 1.881 1.00 75.44 O ATOM 0 H TYR A 10 -3.582 -6.165 2.504 1.00 45.14 H new ATOM 0 HA TYR A 10 -6.266 -4.991 2.481 1.00 55.34 H new ATOM 0 HB2 TYR A 10 -3.822 -3.849 2.617 1.00 64.24 H new ATOM 0 HB3 TYR A 10 -3.975 -3.924 0.873 1.00 64.24 H new ATOM 0 HD1 TYR A 10 -5.003 -2.130 -0.213 1.00 12.44 H new ATOM 0 HD2 TYR A 10 -5.994 -2.875 3.864 1.00 42.33 H new ATOM 0 HE1 TYR A 10 -6.386 -0.101 -0.180 1.00 11.00 H new ATOM 0 HE2 TYR A 10 -7.381 -0.850 3.898 1.00 10.30 H new ATOM 0 HH TYR A 10 -8.143 0.889 2.769 1.00 75.44 H new ATOM 150 N GLU A 11 -5.016 -6.746 0.095 1.00 5.24 N ATOM 151 CA GLU A 11 -5.272 -7.335 -1.213 1.00 61.54 C ATOM 152 C GLU A 11 -5.717 -8.789 -1.078 1.00 13.35 C ATOM 153 O GLU A 11 -5.247 -9.665 -1.804 1.00 3.55 O ATOM 154 CB GLU A 11 -4.019 -7.254 -2.088 1.00 72.23 C ATOM 155 CG GLU A 11 -4.320 -7.160 -3.575 1.00 1.03 C ATOM 156 CD GLU A 11 -4.047 -8.458 -4.309 1.00 25.43 C ATOM 157 OE1 GLU A 11 -4.826 -8.797 -5.224 1.00 32.45 O ATOM 158 OE2 GLU A 11 -3.054 -9.135 -3.969 1.00 21.24 O ATOM 0 H GLU A 11 -4.263 -7.193 0.619 1.00 5.24 H new ATOM 0 HA GLU A 11 -6.075 -6.769 -1.686 1.00 61.54 H new ATOM 0 HB2 GLU A 11 -3.433 -6.385 -1.789 1.00 72.23 H new ATOM 0 HB3 GLU A 11 -3.401 -8.133 -1.906 1.00 72.23 H new ATOM 0 HG2 GLU A 11 -5.365 -6.882 -3.713 1.00 1.03 H new ATOM 0 HG3 GLU A 11 -3.717 -6.365 -4.014 1.00 1.03 H new ATOM 165 N VAL A 12 -6.628 -9.037 -0.141 1.00 63.44 N ATOM 166 CA VAL A 12 -7.138 -10.383 0.090 1.00 21.44 C ATOM 167 C VAL A 12 -8.625 -10.471 -0.234 1.00 10.15 C ATOM 168 O VAL A 12 -9.155 -9.659 -0.992 1.00 50.44 O ATOM 169 CB VAL A 12 -6.915 -10.825 1.549 1.00 4.31 C ATOM 170 CG1 VAL A 12 -6.450 -12.272 1.604 1.00 4.01 C ATOM 171 CG2 VAL A 12 -5.913 -9.908 2.235 1.00 13.14 C ATOM 0 H VAL A 12 -7.027 -8.324 0.469 1.00 63.44 H new ATOM 0 HA VAL A 12 -6.585 -11.049 -0.573 1.00 21.44 H new ATOM 0 HB VAL A 12 -7.863 -10.753 2.081 1.00 4.31 H new ATOM 0 HG11 VAL A 12 -6.298 -12.566 2.642 1.00 4.01 H new ATOM 0 HG12 VAL A 12 -7.206 -12.914 1.152 1.00 4.01 H new ATOM 0 HG13 VAL A 12 -5.513 -12.374 1.057 1.00 4.01 H new ATOM 0 HG21 VAL A 12 -5.767 -10.234 3.265 1.00 13.14 H new ATOM 0 HG22 VAL A 12 -4.962 -9.946 1.704 1.00 13.14 H new ATOM 0 HG23 VAL A 12 -6.291 -8.886 2.228 1.00 13.14 H new ATOM 181 N HIS A 13 -9.294 -11.462 0.347 1.00 13.22 N ATOM 182 CA HIS A 13 -10.722 -11.655 0.121 1.00 33.22 C ATOM 183 C HIS A 13 -11.477 -10.335 0.251 1.00 65.35 C ATOM 184 O HIS A 13 -12.535 -10.152 -0.351 1.00 50.35 O ATOM 185 CB HIS A 13 -11.283 -12.676 1.112 1.00 52.30 C ATOM 186 CG HIS A 13 -12.570 -12.248 1.748 1.00 21.12 C ATOM 187 ND1 HIS A 13 -13.808 -12.601 1.254 1.00 42.25 N ATOM 188 CD2 HIS A 13 -12.806 -11.494 2.847 1.00 15.01 C ATOM 189 CE1 HIS A 13 -14.750 -12.081 2.019 1.00 11.54 C ATOM 190 NE2 HIS A 13 -14.169 -11.405 2.994 1.00 42.50 N ATOM 0 H HIS A 13 -8.871 -12.143 0.977 1.00 13.22 H new ATOM 0 HA HIS A 13 -10.856 -12.031 -0.893 1.00 33.22 H new ATOM 0 HB2 HIS A 13 -11.440 -13.623 0.596 1.00 52.30 H new ATOM 0 HB3 HIS A 13 -10.544 -12.857 1.892 1.00 52.30 H new ATOM 0 HD2 HIS A 13 -12.062 -11.046 3.489 1.00 15.01 H new ATOM 0 HE1 HIS A 13 -15.814 -12.190 1.873 1.00 11.54 H new ATOM 0 HE2 HIS A 13 -14.654 -10.899 3.735 1.00 42.50 H new ATOM 198 N HIS A 14 -10.925 -9.419 1.040 1.00 32.01 N ATOM 199 CA HIS A 14 -11.546 -8.116 1.249 1.00 52.24 C ATOM 200 C HIS A 14 -12.037 -7.530 -0.072 1.00 70.42 C ATOM 201 O HIS A 14 -13.092 -6.898 -0.127 1.00 65.40 O ATOM 202 CB HIS A 14 -10.557 -7.155 1.909 1.00 24.50 C ATOM 203 CG HIS A 14 -11.174 -6.293 2.967 1.00 62.23 C ATOM 204 ND1 HIS A 14 -12.254 -5.470 2.730 1.00 13.35 N ATOM 205 CD2 HIS A 14 -10.857 -6.131 4.273 1.00 51.44 C ATOM 206 CE1 HIS A 14 -12.574 -4.837 3.845 1.00 55.51 C ATOM 207 NE2 HIS A 14 -11.742 -5.220 4.796 1.00 71.31 N ATOM 0 H HIS A 14 -10.049 -9.555 1.545 1.00 32.01 H new ATOM 0 HA HIS A 14 -12.404 -8.252 1.908 1.00 52.24 H new ATOM 0 HB2 HIS A 14 -9.743 -7.731 2.350 1.00 24.50 H new ATOM 0 HB3 HIS A 14 -10.117 -6.517 1.143 1.00 24.50 H new ATOM 0 HD2 HIS A 14 -10.058 -6.626 4.805 1.00 51.44 H new ATOM 0 HE1 HIS A 14 -13.380 -4.127 3.959 1.00 55.51 H new ATOM 0 HE2 HIS A 14 -11.754 -4.893 5.762 1.00 71.31 H new ATOM 215 N GLN A 15 -11.265 -7.745 -1.132 1.00 43.13 N ATOM 216 CA GLN A 15 -11.621 -7.237 -2.452 1.00 10.12 C ATOM 217 C GLN A 15 -11.465 -8.321 -3.513 1.00 30.10 C ATOM 218 O GLN A 15 -10.581 -9.173 -3.420 1.00 72.33 O ATOM 219 CB GLN A 15 -10.753 -6.029 -2.808 1.00 64.22 C ATOM 220 CG GLN A 15 -9.268 -6.257 -2.573 1.00 11.43 C ATOM 221 CD GLN A 15 -8.647 -7.175 -3.607 1.00 11.21 C ATOM 222 OE1 GLN A 15 -8.792 -6.961 -4.811 1.00 0.32 O ATOM 223 NE2 GLN A 15 -7.950 -8.205 -3.142 1.00 10.11 N ATOM 0 H GLN A 15 -10.389 -8.267 -1.103 1.00 43.13 H new ATOM 0 HA GLN A 15 -12.666 -6.929 -2.425 1.00 10.12 H new ATOM 0 HB2 GLN A 15 -10.912 -5.774 -3.856 1.00 64.22 H new ATOM 0 HB3 GLN A 15 -11.078 -5.172 -2.219 1.00 64.22 H new ATOM 0 HG2 GLN A 15 -8.751 -5.298 -2.587 1.00 11.43 H new ATOM 0 HG3 GLN A 15 -9.122 -6.683 -1.580 1.00 11.43 H new ATOM 0 HE21 GLN A 15 -7.856 -8.344 -2.136 1.00 10.11 H new ATOM 0 HE22 GLN A 15 -7.509 -8.857 -3.791 1.00 10.11 H new ATOM 232 N LYS A 16 -12.329 -8.284 -4.521 1.00 54.24 N ATOM 233 CA LYS A 16 -12.288 -9.262 -5.602 1.00 32.13 C ATOM 234 C LYS A 16 -13.433 -9.037 -6.584 1.00 12.50 C ATOM 235 O LYS A 16 -13.318 -9.348 -7.770 1.00 62.40 O ATOM 236 CB LYS A 16 -12.361 -10.682 -5.035 1.00 4.21 C ATOM 237 CG LYS A 16 -12.680 -11.738 -6.079 1.00 14.23 C ATOM 238 CD LYS A 16 -12.083 -13.085 -5.710 1.00 21.32 C ATOM 239 CE LYS A 16 -11.050 -13.536 -6.732 1.00 13.32 C ATOM 240 NZ LYS A 16 -9.698 -12.991 -6.431 1.00 4.42 N ATOM 0 H LYS A 16 -13.067 -7.586 -4.612 1.00 54.24 H new ATOM 0 HA LYS A 16 -11.346 -9.137 -6.135 1.00 32.13 H new ATOM 0 HB2 LYS A 16 -11.409 -10.925 -4.563 1.00 4.21 H new ATOM 0 HB3 LYS A 16 -13.121 -10.714 -4.254 1.00 4.21 H new ATOM 0 HG2 LYS A 16 -13.761 -11.834 -6.182 1.00 14.23 H new ATOM 0 HG3 LYS A 16 -12.294 -11.421 -7.048 1.00 14.23 H new ATOM 0 HD2 LYS A 16 -11.619 -13.021 -4.726 1.00 21.32 H new ATOM 0 HD3 LYS A 16 -12.876 -13.829 -5.640 1.00 21.32 H new ATOM 0 HE2 LYS A 16 -11.007 -14.625 -6.749 1.00 13.32 H new ATOM 0 HE3 LYS A 16 -11.358 -13.214 -7.727 1.00 13.32 H new ATOM 0 HZ1 LYS A 16 -9.023 -13.321 -7.150 1.00 4.42 H new ATOM 0 HZ2 LYS A 16 -9.733 -11.952 -6.440 1.00 4.42 H new ATOM 0 HZ3 LYS A 16 -9.392 -13.319 -5.493 1.00 4.42 H new ATOM 254 N LEU A 17 -14.537 -8.492 -6.084 1.00 2.11 N ATOM 255 CA LEU A 17 -15.703 -8.223 -6.918 1.00 41.22 C ATOM 256 C LEU A 17 -15.831 -6.731 -7.210 1.00 70.21 C ATOM 257 O LEU A 17 -16.418 -6.333 -8.216 1.00 52.12 O ATOM 258 CB LEU A 17 -16.973 -8.731 -6.233 1.00 42.02 C ATOM 259 CG LEU A 17 -17.685 -9.898 -6.919 1.00 45.43 C ATOM 260 CD1 LEU A 17 -18.274 -9.455 -8.250 1.00 25.42 C ATOM 261 CD2 LEU A 17 -16.727 -11.063 -7.119 1.00 31.42 C ATOM 0 H LEU A 17 -14.649 -8.228 -5.105 1.00 2.11 H new ATOM 0 HA LEU A 17 -15.572 -8.750 -7.863 1.00 41.22 H new ATOM 0 HB2 LEU A 17 -16.718 -9.034 -5.217 1.00 42.02 H new ATOM 0 HB3 LEU A 17 -17.675 -7.901 -6.151 1.00 42.02 H new ATOM 0 HG LEU A 17 -18.500 -10.230 -6.277 1.00 45.43 H new ATOM 0 HD11 LEU A 17 -18.777 -10.298 -8.724 1.00 25.42 H new ATOM 0 HD12 LEU A 17 -18.992 -8.653 -8.081 1.00 25.42 H new ATOM 0 HD13 LEU A 17 -17.476 -9.097 -8.900 1.00 25.42 H new ATOM 0 HD21 LEU A 17 -17.250 -11.884 -7.608 1.00 31.42 H new ATOM 0 HD22 LEU A 17 -15.891 -10.744 -7.741 1.00 31.42 H new ATOM 0 HD23 LEU A 17 -16.353 -11.397 -6.151 1.00 31.42 H new ATOM 273 N VAL A 18 -15.276 -5.910 -6.324 1.00 63.24 N ATOM 274 CA VAL A 18 -15.325 -4.462 -6.488 1.00 62.24 C ATOM 275 C VAL A 18 -14.429 -4.008 -7.635 1.00 62.54 C ATOM 276 O VAL A 18 -14.474 -2.851 -8.052 1.00 52.13 O ATOM 277 CB VAL A 18 -14.897 -3.737 -5.199 1.00 43.50 C ATOM 278 CG1 VAL A 18 -13.418 -3.963 -4.924 1.00 61.14 C ATOM 279 CG2 VAL A 18 -15.208 -2.251 -5.296 1.00 42.42 C ATOM 0 H VAL A 18 -14.787 -6.223 -5.485 1.00 63.24 H new ATOM 0 HA VAL A 18 -16.359 -4.204 -6.715 1.00 62.24 H new ATOM 0 HB VAL A 18 -15.464 -4.151 -4.365 1.00 43.50 H new ATOM 0 HG11 VAL A 18 -13.134 -3.443 -4.009 1.00 61.14 H new ATOM 0 HG12 VAL A 18 -13.228 -5.030 -4.808 1.00 61.14 H new ATOM 0 HG13 VAL A 18 -12.830 -3.578 -5.757 1.00 61.14 H new ATOM 0 HG21 VAL A 18 -14.899 -1.754 -4.376 1.00 42.42 H new ATOM 0 HG22 VAL A 18 -14.669 -1.821 -6.140 1.00 42.42 H new ATOM 0 HG23 VAL A 18 -16.279 -2.112 -5.441 1.00 42.42 H new ATOM 289 N PHE A 19 -13.615 -4.928 -8.142 1.00 64.33 N ATOM 290 CA PHE A 19 -12.707 -4.623 -9.242 1.00 4.01 C ATOM 291 C PHE A 19 -13.422 -4.734 -10.585 1.00 31.50 C ATOM 292 O PHE A 19 -12.930 -5.379 -11.511 1.00 74.44 O ATOM 293 CB PHE A 19 -11.502 -5.566 -9.213 1.00 41.22 C ATOM 294 CG PHE A 19 -10.224 -4.919 -9.666 1.00 21.43 C ATOM 295 CD1 PHE A 19 -9.506 -4.099 -8.810 1.00 72.03 C ATOM 296 CD2 PHE A 19 -9.740 -5.132 -10.947 1.00 15.32 C ATOM 297 CE1 PHE A 19 -8.330 -3.503 -9.223 1.00 44.14 C ATOM 298 CE2 PHE A 19 -8.564 -4.539 -11.365 1.00 53.43 C ATOM 299 CZ PHE A 19 -7.859 -3.722 -10.503 1.00 63.30 C ATOM 0 H PHE A 19 -13.565 -5.891 -7.809 1.00 64.33 H new ATOM 0 HA PHE A 19 -12.360 -3.597 -9.119 1.00 4.01 H new ATOM 0 HB2 PHE A 19 -11.370 -5.943 -8.199 1.00 41.22 H new ATOM 0 HB3 PHE A 19 -11.709 -6.427 -9.848 1.00 41.22 H new ATOM 0 HD1 PHE A 19 -9.870 -3.924 -7.808 1.00 72.03 H new ATOM 0 HD2 PHE A 19 -10.288 -5.768 -11.626 1.00 15.32 H new ATOM 0 HE1 PHE A 19 -7.780 -2.867 -8.546 1.00 44.14 H new ATOM 0 HE2 PHE A 19 -8.196 -4.714 -12.365 1.00 53.43 H new ATOM 0 HZ PHE A 19 -6.941 -3.255 -10.829 1.00 63.30 H new ATOM 309 N PHE A 20 -14.587 -4.102 -10.682 1.00 43.15 N ATOM 310 CA PHE A 20 -15.372 -4.131 -11.911 1.00 2.40 C ATOM 311 C PHE A 20 -16.660 -3.328 -11.752 1.00 71.50 C ATOM 312 O PHE A 20 -17.137 -2.705 -12.700 1.00 24.00 O ATOM 313 CB PHE A 20 -15.701 -5.574 -12.297 1.00 61.14 C ATOM 314 CG PHE A 20 -16.701 -5.683 -13.413 1.00 2.11 C ATOM 315 CD1 PHE A 20 -17.784 -6.541 -13.309 1.00 42.21 C ATOM 316 CD2 PHE A 20 -16.557 -4.928 -14.566 1.00 13.33 C ATOM 317 CE1 PHE A 20 -18.706 -6.643 -14.334 1.00 20.24 C ATOM 318 CE2 PHE A 20 -17.476 -5.025 -15.593 1.00 74.42 C ATOM 319 CZ PHE A 20 -18.551 -5.885 -15.478 1.00 33.14 C ATOM 0 H PHE A 20 -15.008 -3.564 -9.925 1.00 43.15 H new ATOM 0 HA PHE A 20 -14.777 -3.677 -12.704 1.00 2.40 H new ATOM 0 HB2 PHE A 20 -14.782 -6.081 -12.592 1.00 61.14 H new ATOM 0 HB3 PHE A 20 -16.087 -6.097 -11.422 1.00 61.14 H new ATOM 0 HD1 PHE A 20 -17.909 -7.137 -12.417 1.00 42.21 H new ATOM 0 HD2 PHE A 20 -15.717 -4.256 -14.663 1.00 13.33 H new ATOM 0 HE1 PHE A 20 -19.547 -7.315 -14.240 1.00 20.24 H new ATOM 0 HE2 PHE A 20 -17.354 -4.429 -16.485 1.00 74.42 H new ATOM 0 HZ PHE A 20 -19.269 -5.964 -16.281 1.00 33.14 H new ATOM 329 N ALA A 21 -17.219 -3.350 -10.546 1.00 63.33 N ATOM 330 CA ALA A 21 -18.450 -2.625 -10.262 1.00 14.32 C ATOM 331 C ALA A 21 -18.228 -1.118 -10.329 1.00 42.43 C ATOM 332 O ALA A 21 -19.168 -0.351 -10.535 1.00 33.32 O ATOM 333 CB ALA A 21 -18.992 -3.019 -8.896 1.00 20.52 C ATOM 0 H ALA A 21 -16.838 -3.862 -9.751 1.00 63.33 H new ATOM 0 HA ALA A 21 -19.183 -2.893 -11.023 1.00 14.32 H new ATOM 0 HB1 ALA A 21 -19.912 -2.469 -8.697 1.00 20.52 H new ATOM 0 HB2 ALA A 21 -19.198 -4.089 -8.881 1.00 20.52 H new ATOM 0 HB3 ALA A 21 -18.254 -2.781 -8.129 1.00 20.52 H new ATOM 339 N GLU A 22 -16.978 -0.700 -10.154 1.00 62.22 N ATOM 340 CA GLU A 22 -16.634 0.716 -10.194 1.00 4.21 C ATOM 341 C GLU A 22 -16.257 1.145 -11.609 1.00 65.01 C ATOM 342 O GLU A 22 -15.172 1.680 -11.839 1.00 23.22 O ATOM 343 CB GLU A 22 -15.478 1.010 -9.235 1.00 41.12 C ATOM 344 CG GLU A 22 -15.563 2.379 -8.581 1.00 64.02 C ATOM 345 CD GLU A 22 -16.875 2.598 -7.855 1.00 14.14 C ATOM 346 OE1 GLU A 22 -17.378 3.741 -7.871 1.00 55.14 O ATOM 347 OE2 GLU A 22 -17.399 1.628 -7.269 1.00 74.42 O ATOM 0 H GLU A 22 -16.188 -1.322 -9.983 1.00 62.22 H new ATOM 0 HA GLU A 22 -17.510 1.285 -9.882 1.00 4.21 H new ATOM 0 HB2 GLU A 22 -15.458 0.246 -8.458 1.00 41.12 H new ATOM 0 HB3 GLU A 22 -14.537 0.935 -9.780 1.00 41.12 H new ATOM 0 HG2 GLU A 22 -14.739 2.493 -7.877 1.00 64.02 H new ATOM 0 HG3 GLU A 22 -15.440 3.149 -9.342 1.00 64.02 H new ATOM 354 N ASP A 23 -17.159 0.906 -12.554 1.00 35.34 N ATOM 355 CA ASP A 23 -16.923 1.267 -13.947 1.00 30.15 C ATOM 356 C ASP A 23 -18.167 1.014 -14.792 1.00 52.02 C ATOM 357 O ASP A 23 -18.071 0.676 -15.972 1.00 24.20 O ATOM 358 CB ASP A 23 -15.741 0.475 -14.507 1.00 45.43 C ATOM 359 CG ASP A 23 -15.292 0.987 -15.862 1.00 63.10 C ATOM 360 OD1 ASP A 23 -15.402 2.208 -16.102 1.00 71.30 O ATOM 361 OD2 ASP A 23 -14.829 0.167 -16.682 1.00 34.40 O ATOM 0 H ASP A 23 -18.061 0.463 -12.381 1.00 35.34 H new ATOM 0 HA ASP A 23 -16.689 2.331 -13.987 1.00 30.15 H new ATOM 0 HB2 ASP A 23 -14.907 0.528 -13.807 1.00 45.43 H new ATOM 0 HB3 ASP A 23 -16.019 -0.576 -14.592 1.00 45.43 H new ATOM 366 N VAL A 24 -19.336 1.179 -14.181 1.00 1.43 N ATOM 367 CA VAL A 24 -20.600 0.969 -14.877 1.00 45.10 C ATOM 368 C VAL A 24 -21.377 2.274 -15.012 1.00 24.24 C ATOM 369 O VAL A 24 -22.092 2.485 -15.990 1.00 62.40 O ATOM 370 CB VAL A 24 -21.477 -0.065 -14.147 1.00 70.35 C ATOM 371 CG1 VAL A 24 -22.802 -0.248 -14.872 1.00 63.34 C ATOM 372 CG2 VAL A 24 -20.742 -1.391 -14.020 1.00 32.23 C ATOM 0 H VAL A 24 -19.434 1.458 -13.205 1.00 1.43 H new ATOM 0 HA VAL A 24 -20.356 0.591 -15.870 1.00 45.10 H new ATOM 0 HB VAL A 24 -21.687 0.306 -13.144 1.00 70.35 H new ATOM 0 HG11 VAL A 24 -23.408 -0.982 -14.342 1.00 63.34 H new ATOM 0 HG12 VAL A 24 -23.332 0.704 -14.907 1.00 63.34 H new ATOM 0 HG13 VAL A 24 -22.616 -0.597 -15.888 1.00 63.34 H new ATOM 0 HG21 VAL A 24 -21.376 -2.110 -13.502 1.00 32.23 H new ATOM 0 HG22 VAL A 24 -20.500 -1.770 -15.013 1.00 32.23 H new ATOM 0 HG23 VAL A 24 -19.822 -1.244 -13.454 1.00 32.23 H new ATOM 382 N GLY A 25 -21.230 3.148 -14.021 1.00 14.43 N ATOM 383 CA GLY A 25 -21.924 4.423 -14.048 1.00 33.35 C ATOM 384 C GLY A 25 -21.099 5.519 -14.692 1.00 72.33 C ATOM 385 O GLY A 25 -21.370 6.704 -14.500 1.00 74.11 O ATOM 0 H GLY A 25 -20.643 2.996 -13.200 1.00 14.43 H new ATOM 0 HA2 GLY A 25 -22.862 4.311 -14.592 1.00 33.35 H new ATOM 0 HA3 GLY A 25 -22.179 4.716 -13.030 1.00 33.35 H new ATOM 389 N SER A 26 -20.088 5.123 -15.458 1.00 63.24 N ATOM 390 CA SER A 26 -19.217 6.081 -16.129 1.00 65.44 C ATOM 391 C SER A 26 -20.025 7.018 -17.022 1.00 22.15 C ATOM 392 O SER A 26 -19.605 8.140 -17.303 1.00 35.34 O ATOM 393 CB SER A 26 -18.163 5.348 -16.962 1.00 71.42 C ATOM 394 OG SER A 26 -17.719 6.149 -18.043 1.00 55.23 O ATOM 0 H SER A 26 -19.852 4.146 -15.630 1.00 63.24 H new ATOM 0 HA SER A 26 -18.717 6.676 -15.365 1.00 65.44 H new ATOM 0 HB2 SER A 26 -17.316 5.083 -16.330 1.00 71.42 H new ATOM 0 HB3 SER A 26 -18.580 4.416 -17.343 1.00 71.42 H new ATOM 0 HG SER A 26 -16.789 5.925 -18.255 1.00 55.23 H new ATOM 400 N ASN A 27 -21.187 6.548 -17.464 1.00 22.04 N ATOM 401 CA ASN A 27 -22.055 7.343 -18.325 1.00 21.13 C ATOM 402 C ASN A 27 -21.333 7.738 -19.609 1.00 62.34 C ATOM 403 O ASN A 27 -21.022 8.909 -19.826 1.00 14.44 O ATOM 404 CB ASN A 27 -22.530 8.597 -17.587 1.00 62.34 C ATOM 405 CG ASN A 27 -23.406 8.268 -16.394 1.00 2.52 C ATOM 406 OD1 ASN A 27 -24.304 7.431 -16.481 1.00 11.14 O ATOM 407 ND2 ASN A 27 -23.148 8.929 -15.271 1.00 44.12 N ATOM 0 H ASN A 27 -21.549 5.621 -17.240 1.00 22.04 H new ATOM 0 HA ASN A 27 -22.920 6.735 -18.588 1.00 21.13 H new ATOM 0 HB2 ASN A 27 -21.664 9.168 -17.252 1.00 62.34 H new ATOM 0 HB3 ASN A 27 -23.084 9.233 -18.277 1.00 62.34 H new ATOM 0 HD21 ASN A 27 -23.705 8.751 -14.435 1.00 44.12 H new ATOM 0 HD22 ASN A 27 -22.393 9.615 -15.245 1.00 44.12 H new ATOM 414 N LYS A 28 -21.069 6.752 -20.460 1.00 63.20 N ATOM 415 CA LYS A 28 -20.385 6.994 -21.725 1.00 12.41 C ATOM 416 C LYS A 28 -21.116 6.313 -22.878 1.00 24.35 C ATOM 417 O LYS A 28 -22.297 5.986 -22.770 1.00 24.51 O ATOM 418 CB LYS A 28 -18.942 6.491 -21.653 1.00 22.01 C ATOM 419 CG LYS A 28 -18.828 4.978 -21.580 1.00 11.12 C ATOM 420 CD LYS A 28 -18.833 4.487 -20.142 1.00 1.43 C ATOM 421 CE LYS A 28 -19.288 3.039 -20.048 1.00 54.25 C ATOM 422 NZ LYS A 28 -18.171 2.089 -20.306 1.00 32.23 N ATOM 0 H LYS A 28 -21.319 5.777 -20.296 1.00 63.20 H new ATOM 0 HA LYS A 28 -20.379 8.069 -21.906 1.00 12.41 H new ATOM 0 HB2 LYS A 28 -18.398 6.846 -22.528 1.00 22.01 H new ATOM 0 HB3 LYS A 28 -18.458 6.926 -20.779 1.00 22.01 H new ATOM 0 HG2 LYS A 28 -19.656 4.523 -22.124 1.00 11.12 H new ATOM 0 HG3 LYS A 28 -17.910 4.657 -22.072 1.00 11.12 H new ATOM 0 HD2 LYS A 28 -17.832 4.583 -19.720 1.00 1.43 H new ATOM 0 HD3 LYS A 28 -19.492 5.116 -19.544 1.00 1.43 H new ATOM 0 HE2 LYS A 28 -19.702 2.852 -19.057 1.00 54.25 H new ATOM 0 HE3 LYS A 28 -20.088 2.862 -20.767 1.00 54.25 H new ATOM 0 HZ1 LYS A 28 -18.522 1.113 -20.233 1.00 32.23 H new ATOM 0 HZ2 LYS A 28 -17.792 2.250 -21.261 1.00 32.23 H new ATOM 0 HZ3 LYS A 28 -17.418 2.240 -19.605 1.00 32.23 H new ATOM 436 N GLY A 29 -20.404 6.100 -23.980 1.00 42.34 N ATOM 437 CA GLY A 29 -21.001 5.457 -25.136 1.00 41.43 C ATOM 438 C GLY A 29 -22.311 6.101 -25.545 1.00 70.13 C ATOM 439 O GLY A 29 -23.220 5.424 -26.025 1.00 65.25 O ATOM 0 H GLY A 29 -19.424 6.361 -24.093 1.00 42.34 H new ATOM 0 HA2 GLY A 29 -20.303 5.498 -25.972 1.00 41.43 H new ATOM 0 HA3 GLY A 29 -21.171 4.403 -24.914 1.00 41.43 H new ATOM 443 N ALA A 30 -22.410 7.412 -25.353 1.00 44.34 N ATOM 444 CA ALA A 30 -23.618 8.147 -25.706 1.00 50.21 C ATOM 445 C ALA A 30 -23.429 9.646 -25.499 1.00 12.05 C ATOM 446 O ALA A 30 -23.984 10.459 -26.238 1.00 51.22 O ATOM 447 CB ALA A 30 -24.799 7.644 -24.890 1.00 31.14 C ATOM 0 H ALA A 30 -21.668 7.987 -24.955 1.00 44.34 H new ATOM 0 HA ALA A 30 -23.822 7.976 -26.763 1.00 50.21 H new ATOM 0 HB1 ALA A 30 -25.694 8.202 -25.164 1.00 31.14 H new ATOM 0 HB2 ALA A 30 -24.956 6.584 -25.092 1.00 31.14 H new ATOM 0 HB3 ALA A 30 -24.594 7.785 -23.829 1.00 31.14 H new ATOM 453 N ILE A 31 -22.644 10.004 -24.488 1.00 52.42 N ATOM 454 CA ILE A 31 -22.383 11.406 -24.184 1.00 62.24 C ATOM 455 C ILE A 31 -20.899 11.730 -24.318 1.00 63.24 C ATOM 456 O ILE A 31 -20.346 12.495 -23.528 1.00 14.24 O ATOM 457 CB ILE A 31 -22.850 11.770 -22.763 1.00 10.41 C ATOM 458 CG1 ILE A 31 -23.730 10.657 -22.191 1.00 2.15 C ATOM 459 CG2 ILE A 31 -23.601 13.093 -22.775 1.00 54.24 C ATOM 460 CD1 ILE A 31 -24.491 11.066 -20.949 1.00 2.41 C ATOM 0 H ILE A 31 -22.178 9.343 -23.866 1.00 52.42 H new ATOM 0 HA ILE A 31 -22.948 11.996 -24.905 1.00 62.24 H new ATOM 0 HB ILE A 31 -21.973 11.878 -22.125 1.00 10.41 H new ATOM 0 HG12 ILE A 31 -24.440 10.338 -22.954 1.00 2.15 H new ATOM 0 HG13 ILE A 31 -23.105 9.795 -21.957 1.00 2.15 H new ATOM 0 HG21 ILE A 31 -23.925 13.337 -21.763 1.00 54.24 H new ATOM 0 HG22 ILE A 31 -22.945 13.881 -23.146 1.00 54.24 H new ATOM 0 HG23 ILE A 31 -24.472 13.011 -23.425 1.00 54.24 H new ATOM 0 HD11 ILE A 31 -25.093 10.228 -20.599 1.00 2.41 H new ATOM 0 HD12 ILE A 31 -23.786 11.357 -20.170 1.00 2.41 H new ATOM 0 HD13 ILE A 31 -25.142 11.908 -21.182 1.00 2.41 H new ATOM 472 N ILE A 32 -20.259 11.144 -25.325 1.00 34.30 N ATOM 473 CA ILE A 32 -18.840 11.372 -25.564 1.00 41.53 C ATOM 474 C ILE A 32 -18.604 12.733 -26.212 1.00 62.53 C ATOM 475 O ILE A 32 -17.508 13.287 -26.135 1.00 72.24 O ATOM 476 CB ILE A 32 -18.237 10.277 -26.463 1.00 23.32 C ATOM 477 CG1 ILE A 32 -16.771 10.589 -26.771 1.00 41.01 C ATOM 478 CG2 ILE A 32 -19.038 10.146 -27.749 1.00 51.14 C ATOM 479 CD1 ILE A 32 -15.908 10.721 -25.536 1.00 33.25 C ATOM 0 H ILE A 32 -20.701 10.508 -25.988 1.00 34.30 H new ATOM 0 HA ILE A 32 -18.348 11.344 -24.592 1.00 41.53 H new ATOM 0 HB ILE A 32 -18.283 9.326 -25.932 1.00 23.32 H new ATOM 0 HG12 ILE A 32 -16.366 9.800 -27.405 1.00 41.01 H new ATOM 0 HG13 ILE A 32 -16.718 11.516 -27.342 1.00 41.01 H new ATOM 0 HG21 ILE A 32 -18.599 9.368 -28.373 1.00 51.14 H new ATOM 0 HG22 ILE A 32 -20.068 9.882 -27.511 1.00 51.14 H new ATOM 0 HG23 ILE A 32 -19.022 11.094 -28.286 1.00 51.14 H new ATOM 0 HD11 ILE A 32 -14.882 10.942 -25.831 1.00 33.25 H new ATOM 0 HD12 ILE A 32 -16.288 11.529 -24.911 1.00 33.25 H new ATOM 0 HD13 ILE A 32 -15.931 9.787 -24.975 1.00 33.25 H new ATOM 491 N GLY A 33 -19.641 13.266 -26.850 1.00 53.31 N ATOM 492 CA GLY A 33 -19.527 14.558 -27.501 1.00 11.40 C ATOM 493 C GLY A 33 -20.218 15.662 -26.725 1.00 31.24 C ATOM 494 O GLY A 33 -20.050 16.844 -27.028 1.00 72.31 O ATOM 0 H GLY A 33 -20.558 12.826 -26.928 1.00 53.31 H new ATOM 0 HA2 GLY A 33 -18.473 14.808 -27.622 1.00 11.40 H new ATOM 0 HA3 GLY A 33 -19.957 14.497 -28.501 1.00 11.40 H new ATOM 498 N LEU A 34 -20.999 15.277 -25.721 1.00 3.10 N ATOM 499 CA LEU A 34 -21.720 16.243 -24.899 1.00 62.20 C ATOM 500 C LEU A 34 -21.162 16.274 -23.480 1.00 2.02 C ATOM 501 O LEU A 34 -21.295 17.272 -22.772 1.00 20.11 O ATOM 502 CB LEU A 34 -23.211 15.901 -24.866 1.00 5.43 C ATOM 503 CG LEU A 34 -23.657 14.755 -25.773 1.00 60.35 C ATOM 504 CD1 LEU A 34 -25.063 14.303 -25.411 1.00 12.41 C ATOM 505 CD2 LEU A 34 -23.590 15.174 -27.235 1.00 5.13 C ATOM 0 H LEU A 34 -21.149 14.303 -25.457 1.00 3.10 H new ATOM 0 HA LEU A 34 -21.589 17.230 -25.342 1.00 62.20 H new ATOM 0 HB2 LEU A 34 -23.484 15.653 -23.840 1.00 5.43 H new ATOM 0 HB3 LEU A 34 -23.774 16.794 -25.139 1.00 5.43 H new ATOM 0 HG LEU A 34 -22.978 13.915 -25.625 1.00 60.35 H new ATOM 0 HD11 LEU A 34 -25.363 13.486 -26.068 1.00 12.41 H new ATOM 0 HD12 LEU A 34 -25.080 13.961 -24.376 1.00 12.41 H new ATOM 0 HD13 LEU A 34 -25.755 15.137 -25.529 1.00 12.41 H new ATOM 0 HD21 LEU A 34 -23.911 14.345 -27.866 1.00 5.13 H new ATOM 0 HD22 LEU A 34 -24.245 16.030 -27.399 1.00 5.13 H new ATOM 0 HD23 LEU A 34 -22.566 15.447 -27.489 1.00 5.13 H new ATOM 517 N MET A 35 -20.535 15.176 -23.072 1.00 20.54 N ATOM 518 CA MET A 35 -19.953 15.079 -21.738 1.00 35.13 C ATOM 519 C MET A 35 -18.446 14.861 -21.816 1.00 62.55 C ATOM 520 O MET A 35 -17.827 14.384 -20.865 1.00 30.01 O ATOM 521 CB MET A 35 -20.606 13.938 -20.955 1.00 63.52 C ATOM 522 CG MET A 35 -20.858 14.269 -19.493 1.00 42.43 C ATOM 523 SD MET A 35 -20.411 12.917 -18.387 1.00 41.51 S ATOM 524 CE MET A 35 -21.711 11.740 -18.750 1.00 23.44 C ATOM 0 H MET A 35 -20.417 14.341 -23.646 1.00 20.54 H new ATOM 0 HA MET A 35 -20.139 16.019 -21.219 1.00 35.13 H new ATOM 0 HB2 MET A 35 -21.553 13.679 -21.429 1.00 63.52 H new ATOM 0 HB3 MET A 35 -19.968 13.056 -21.014 1.00 63.52 H new ATOM 0 HG2 MET A 35 -20.288 15.158 -19.222 1.00 42.43 H new ATOM 0 HG3 MET A 35 -21.912 14.512 -19.356 1.00 42.43 H new ATOM 0 HE1 MET A 35 -21.593 10.861 -18.117 1.00 23.44 H new ATOM 0 HE2 MET A 35 -22.681 12.198 -18.558 1.00 23.44 H new ATOM 0 HE3 MET A 35 -21.651 11.443 -19.797 1.00 23.44 H new ATOM 534 N VAL A 36 -17.860 15.212 -22.957 1.00 32.30 N ATOM 535 CA VAL A 36 -16.425 15.055 -23.159 1.00 62.33 C ATOM 536 C VAL A 36 -15.933 15.929 -24.308 1.00 21.54 C ATOM 537 O VAL A 36 -14.852 16.512 -24.239 1.00 21.14 O ATOM 538 CB VAL A 36 -16.056 13.588 -23.451 1.00 32.14 C ATOM 539 CG1 VAL A 36 -14.858 13.514 -24.384 1.00 62.44 C ATOM 540 CG2 VAL A 36 -15.780 12.841 -22.154 1.00 63.05 C ATOM 0 H VAL A 36 -18.357 15.607 -23.755 1.00 32.30 H new ATOM 0 HA VAL A 36 -15.939 15.367 -22.234 1.00 62.33 H new ATOM 0 HB VAL A 36 -16.901 13.110 -23.947 1.00 32.14 H new ATOM 0 HG11 VAL A 36 -14.612 12.470 -24.579 1.00 62.44 H new ATOM 0 HG12 VAL A 36 -15.097 14.012 -25.324 1.00 62.44 H new ATOM 0 HG13 VAL A 36 -14.004 14.007 -23.920 1.00 62.44 H new ATOM 0 HG21 VAL A 36 -15.521 11.806 -22.378 1.00 63.05 H new ATOM 0 HG22 VAL A 36 -14.952 13.317 -21.629 1.00 63.05 H new ATOM 0 HG23 VAL A 36 -16.670 12.864 -21.524 1.00 63.05 H new ATOM 550 N GLY A 37 -16.735 16.015 -25.364 1.00 72.34 N ATOM 551 CA GLY A 37 -16.365 16.820 -26.513 1.00 44.04 C ATOM 552 C GLY A 37 -16.040 18.252 -26.137 1.00 50.13 C ATOM 553 O GLY A 37 -16.933 19.035 -25.817 1.00 34.23 O ATOM 0 H GLY A 37 -17.635 15.541 -25.445 1.00 72.34 H new ATOM 0 HA2 GLY A 37 -15.501 16.372 -27.004 1.00 44.04 H new ATOM 0 HA3 GLY A 37 -17.181 16.814 -27.235 1.00 44.04 H new ATOM 557 N GLY A 38 -14.756 18.596 -26.175 1.00 11.01 N ATOM 558 CA GLY A 38 -14.339 19.943 -25.831 1.00 65.32 C ATOM 559 C GLY A 38 -14.277 20.166 -24.333 1.00 40.02 C ATOM 560 O GLY A 38 -14.384 21.298 -23.862 1.00 4.30 O ATOM 0 H GLY A 38 -13.998 17.966 -26.438 1.00 11.01 H new ATOM 0 HA2 GLY A 38 -13.359 20.138 -26.265 1.00 65.32 H new ATOM 0 HA3 GLY A 38 -15.032 20.659 -26.273 1.00 65.32 H new ATOM 564 N VAL A 39 -14.106 19.083 -23.581 1.00 50.14 N ATOM 565 CA VAL A 39 -14.031 19.166 -22.128 1.00 32.43 C ATOM 566 C VAL A 39 -12.784 18.465 -21.601 1.00 1.01 C ATOM 567 O VAL A 39 -11.979 19.061 -20.885 1.00 50.54 O ATOM 568 CB VAL A 39 -15.275 18.543 -21.465 1.00 43.14 C ATOM 569 CG1 VAL A 39 -15.171 18.626 -19.950 1.00 41.22 C ATOM 570 CG2 VAL A 39 -16.540 19.228 -21.960 1.00 31.52 C ATOM 0 H VAL A 39 -14.017 18.138 -23.955 1.00 50.14 H new ATOM 0 HA VAL A 39 -13.984 20.225 -21.874 1.00 32.43 H new ATOM 0 HB VAL A 39 -15.326 17.490 -21.744 1.00 43.14 H new ATOM 0 HG11 VAL A 39 -16.058 18.181 -19.499 1.00 41.22 H new ATOM 0 HG12 VAL A 39 -14.285 18.086 -19.616 1.00 41.22 H new ATOM 0 HG13 VAL A 39 -15.095 19.670 -19.647 1.00 41.22 H new ATOM 0 HG21 VAL A 39 -17.409 18.776 -21.482 1.00 31.52 H new ATOM 0 HG22 VAL A 39 -16.500 20.289 -21.712 1.00 31.52 H new ATOM 0 HG23 VAL A 39 -16.618 19.111 -23.041 1.00 31.52 H new ATOM 580 N VAL A 40 -12.629 17.195 -21.960 1.00 71.42 N ATOM 581 CA VAL A 40 -11.478 16.412 -21.525 1.00 74.13 C ATOM 582 C VAL A 40 -10.746 15.803 -22.716 1.00 13.11 C ATOM 583 O VAL A 40 -9.517 15.732 -22.731 1.00 70.30 O ATOM 584 CB VAL A 40 -11.898 15.284 -20.563 1.00 42.53 C ATOM 585 CG1 VAL A 40 -12.954 14.399 -21.206 1.00 54.12 C ATOM 586 CG2 VAL A 40 -10.687 14.465 -20.144 1.00 21.32 C ATOM 0 H VAL A 40 -13.286 16.686 -22.551 1.00 71.42 H new ATOM 0 HA VAL A 40 -10.809 17.096 -21.002 1.00 74.13 H new ATOM 0 HB VAL A 40 -12.331 15.734 -19.670 1.00 42.53 H new ATOM 0 HG11 VAL A 40 -13.238 13.608 -20.512 1.00 54.12 H new ATOM 0 HG12 VAL A 40 -13.831 14.998 -21.452 1.00 54.12 H new ATOM 0 HG13 VAL A 40 -12.551 13.955 -22.116 1.00 54.12 H new ATOM 0 HG21 VAL A 40 -11.001 13.673 -19.465 1.00 21.32 H new ATOM 0 HG22 VAL A 40 -10.223 14.024 -21.026 1.00 21.32 H new ATOM 0 HG23 VAL A 40 -9.968 15.111 -19.640 1.00 21.32 H new ATOM 596 N ILE A 41 -11.509 15.366 -23.712 1.00 72.00 N ATOM 597 CA ILE A 41 -10.933 14.765 -24.908 1.00 65.41 C ATOM 598 C ILE A 41 -10.350 13.388 -24.605 1.00 43.41 C ATOM 599 O ILE A 41 -10.888 12.368 -25.032 1.00 63.54 O ATOM 600 CB ILE A 41 -9.830 15.655 -25.510 1.00 40.34 C ATOM 601 CG1 ILE A 41 -10.291 17.114 -25.557 1.00 62.41 C ATOM 602 CG2 ILE A 41 -9.456 15.167 -26.902 1.00 53.42 C ATOM 603 CD1 ILE A 41 -9.588 18.002 -24.554 1.00 73.33 C ATOM 0 H ILE A 41 -12.528 15.417 -23.714 1.00 72.00 H new ATOM 0 HA ILE A 41 -11.742 14.664 -25.631 1.00 65.41 H new ATOM 0 HB ILE A 41 -8.946 15.593 -24.875 1.00 40.34 H new ATOM 0 HG12 ILE A 41 -10.123 17.508 -26.559 1.00 62.41 H new ATOM 0 HG13 ILE A 41 -11.365 17.153 -25.375 1.00 62.41 H new ATOM 0 HG21 ILE A 41 -8.675 15.806 -27.314 1.00 53.42 H new ATOM 0 HG22 ILE A 41 -9.091 14.142 -26.842 1.00 53.42 H new ATOM 0 HG23 ILE A 41 -10.333 15.203 -27.548 1.00 53.42 H new ATOM 0 HD11 ILE A 41 -9.964 19.021 -24.644 1.00 73.33 H new ATOM 0 HD12 ILE A 41 -9.777 17.633 -23.546 1.00 73.33 H new ATOM 0 HD13 ILE A 41 -8.516 17.993 -24.749 1.00 73.33 H new ATOM 615 N ALA A 42 -9.247 13.369 -23.863 1.00 52.12 N ATOM 616 CA ALA A 42 -8.593 12.118 -23.499 1.00 52.33 C ATOM 617 C ALA A 42 -8.868 11.759 -22.043 1.00 24.11 C ATOM 618 O ALA A 42 -8.356 10.761 -21.533 1.00 2.42 O ATOM 619 CB ALA A 42 -7.095 12.214 -23.748 1.00 53.11 C ATOM 0 H ALA A 42 -8.788 14.206 -23.503 1.00 52.12 H new ATOM 0 HA ALA A 42 -9.004 11.326 -24.125 1.00 52.33 H new ATOM 0 HB1 ALA A 42 -6.619 11.273 -23.472 1.00 53.11 H new ATOM 0 HB2 ALA A 42 -6.914 12.416 -24.804 1.00 53.11 H new ATOM 0 HB3 ALA A 42 -6.677 13.022 -23.147 1.00 53.11 H new TER 625 ALA A 42