USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=3 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+ 180:sc= -0.561 (180deg=-0.561) USER MOD Single : A 6 HIS : no HD1:sc= -0.254 K(o=-0.25,f=-0.76) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0958 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0963 X(o=-0.096,f=0) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -6.65! K(o=-6.6!,f=-1.4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 47:sc= 1 USER MOD Single : A 27 ASN : amide:sc= -2.49! C(o=-2.5!,f=-4.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 4.305 1.225 -3.596 1.00 2.41 N ATOM 2 CA ASP A 1 3.069 1.020 -4.342 1.00 63.31 C ATOM 3 C ASP A 1 2.749 -0.467 -4.464 1.00 11.14 C ATOM 4 O ASP A 1 1.584 -0.856 -4.547 1.00 25.12 O ATOM 5 CB ASP A 1 3.178 1.646 -5.733 1.00 61.02 C ATOM 6 CG ASP A 1 4.572 1.521 -6.317 1.00 74.10 C ATOM 7 OD1 ASP A 1 5.347 2.495 -6.217 1.00 52.32 O ATOM 8 OD2 ASP A 1 4.887 0.449 -6.873 1.00 64.50 O ATOM 0 H1 ASP A 1 4.503 2.244 -3.525 1.00 2.41 H new ATOM 0 H2 ASP A 1 4.205 0.825 -2.641 1.00 2.41 H new ATOM 0 H3 ASP A 1 5.090 0.753 -4.088 1.00 2.41 H new ATOM 0 HA ASP A 1 2.259 1.505 -3.796 1.00 63.31 H new ATOM 0 HB2 ASP A 1 2.463 1.166 -6.401 1.00 61.02 H new ATOM 0 HB3 ASP A 1 2.904 2.699 -5.677 1.00 61.02 H new ATOM 13 N ALA A 2 3.790 -1.292 -4.474 1.00 63.51 N ATOM 14 CA ALA A 2 3.620 -2.736 -4.585 1.00 12.15 C ATOM 15 C ALA A 2 2.759 -3.276 -3.447 1.00 41.43 C ATOM 16 O ALA A 2 1.927 -4.159 -3.652 1.00 41.43 O ATOM 17 CB ALA A 2 4.975 -3.428 -4.598 1.00 13.11 C ATOM 0 H ALA A 2 4.761 -0.986 -4.407 1.00 63.51 H new ATOM 0 HA ALA A 2 3.109 -2.946 -5.524 1.00 12.15 H new ATOM 0 HB1 ALA A 2 4.833 -4.505 -4.681 1.00 13.11 H new ATOM 0 HB2 ALA A 2 5.557 -3.072 -5.448 1.00 13.11 H new ATOM 0 HB3 ALA A 2 5.507 -3.203 -3.674 1.00 13.11 H new ATOM 23 N GLU A 3 2.966 -2.739 -2.249 1.00 21.24 N ATOM 24 CA GLU A 3 2.209 -3.169 -1.079 1.00 21.40 C ATOM 25 C GLU A 3 0.709 -3.038 -1.324 1.00 34.35 C ATOM 26 O GLU A 3 -0.070 -3.919 -0.959 1.00 75.32 O ATOM 27 CB GLU A 3 2.611 -2.347 0.147 1.00 11.20 C ATOM 28 CG GLU A 3 4.081 -2.473 0.509 1.00 2.33 C ATOM 29 CD GLU A 3 4.343 -2.220 1.981 1.00 10.14 C ATOM 30 OE1 GLU A 3 3.634 -2.815 2.820 1.00 12.40 O ATOM 31 OE2 GLU A 3 5.256 -1.428 2.295 1.00 61.02 O ATOM 0 H GLU A 3 3.651 -2.006 -2.063 1.00 21.24 H new ATOM 0 HA GLU A 3 2.439 -4.218 -0.894 1.00 21.40 H new ATOM 0 HB2 GLU A 3 2.380 -1.298 -0.038 1.00 11.20 H new ATOM 0 HB3 GLU A 3 2.008 -2.661 0.999 1.00 11.20 H new ATOM 0 HG2 GLU A 3 4.431 -3.472 0.248 1.00 2.33 H new ATOM 0 HG3 GLU A 3 4.660 -1.766 -0.086 1.00 2.33 H new ATOM 38 N PHE A 4 0.310 -1.932 -1.943 1.00 5.25 N ATOM 39 CA PHE A 4 -1.096 -1.683 -2.235 1.00 34.41 C ATOM 40 C PHE A 4 -1.632 -2.703 -3.236 1.00 32.03 C ATOM 41 O PHE A 4 -2.671 -3.324 -3.009 1.00 62.14 O ATOM 42 CB PHE A 4 -1.283 -0.267 -2.783 1.00 61.13 C ATOM 43 CG PHE A 4 -1.827 0.701 -1.772 1.00 33.53 C ATOM 44 CD1 PHE A 4 -1.141 1.866 -1.469 1.00 34.41 C ATOM 45 CD2 PHE A 4 -3.025 0.445 -1.123 1.00 63.41 C ATOM 46 CE1 PHE A 4 -1.640 2.758 -0.539 1.00 3.53 C ATOM 47 CE2 PHE A 4 -3.528 1.334 -0.193 1.00 31.25 C ATOM 48 CZ PHE A 4 -2.834 2.491 0.101 1.00 52.50 C ATOM 0 H PHE A 4 0.942 -1.193 -2.252 1.00 5.25 H new ATOM 0 HA PHE A 4 -1.657 -1.782 -1.306 1.00 34.41 H new ATOM 0 HB2 PHE A 4 -0.325 0.102 -3.148 1.00 61.13 H new ATOM 0 HB3 PHE A 4 -1.957 -0.303 -3.639 1.00 61.13 H new ATOM 0 HD1 PHE A 4 -0.206 2.079 -1.965 1.00 34.41 H new ATOM 0 HD2 PHE A 4 -3.571 -0.459 -1.347 1.00 63.41 H new ATOM 0 HE1 PHE A 4 -1.096 3.663 -0.313 1.00 3.53 H new ATOM 0 HE2 PHE A 4 -4.464 1.124 0.304 1.00 31.25 H new ATOM 0 HZ PHE A 4 -3.224 3.186 0.830 1.00 52.50 H new ATOM 58 N ARG A 5 -0.916 -2.869 -4.343 1.00 32.11 N ATOM 59 CA ARG A 5 -1.320 -3.811 -5.380 1.00 23.44 C ATOM 60 C ARG A 5 -1.176 -5.250 -4.892 1.00 71.32 C ATOM 61 O ARG A 5 -1.664 -6.184 -5.530 1.00 23.45 O ATOM 62 CB ARG A 5 -0.481 -3.603 -6.642 1.00 74.32 C ATOM 63 CG ARG A 5 -1.023 -2.521 -7.561 1.00 52.24 C ATOM 64 CD ARG A 5 -1.053 -1.167 -6.870 1.00 55.31 C ATOM 65 NE ARG A 5 -2.388 -0.832 -6.381 1.00 11.33 N ATOM 66 CZ ARG A 5 -3.363 -0.374 -7.159 1.00 23.03 C ATOM 67 NH1 ARG A 5 -3.153 -0.198 -8.456 1.00 24.30 N ATOM 68 NH2 ARG A 5 -4.551 -0.092 -6.639 1.00 44.43 N ATOM 0 H ARG A 5 -0.053 -2.364 -4.545 1.00 32.11 H new ATOM 0 HA ARG A 5 -2.369 -3.628 -5.615 1.00 23.44 H new ATOM 0 HB2 ARG A 5 0.538 -3.345 -6.353 1.00 74.32 H new ATOM 0 HB3 ARG A 5 -0.428 -4.542 -7.192 1.00 74.32 H new ATOM 0 HG2 ARG A 5 -0.405 -2.460 -8.457 1.00 52.24 H new ATOM 0 HG3 ARG A 5 -2.029 -2.788 -7.885 1.00 52.24 H new ATOM 0 HD2 ARG A 5 -0.351 -1.170 -6.036 1.00 55.31 H new ATOM 0 HD3 ARG A 5 -0.718 -0.397 -7.565 1.00 55.31 H new ATOM 0 HE ARG A 5 -2.583 -0.957 -5.387 1.00 11.33 H new ATOM 0 HH11 ARG A 5 -2.241 -0.414 -8.859 1.00 24.30 H new ATOM 0 HH12 ARG A 5 -3.903 0.154 -9.051 1.00 24.30 H new ATOM 0 HH21 ARG A 5 -4.716 -0.227 -5.642 1.00 44.43 H new ATOM 0 HH22 ARG A 5 -5.299 0.260 -7.237 1.00 44.43 H new ATOM 82 N HIS A 6 -0.503 -5.421 -3.759 1.00 32.34 N ATOM 83 CA HIS A 6 -0.295 -6.746 -3.186 1.00 32.44 C ATOM 84 C HIS A 6 -0.538 -6.731 -1.679 1.00 64.03 C ATOM 85 O HIS A 6 0.374 -6.462 -0.897 1.00 0.12 O ATOM 86 CB HIS A 6 1.123 -7.236 -3.481 1.00 32.03 C ATOM 87 CG HIS A 6 1.545 -8.396 -2.632 1.00 73.04 C ATOM 88 ND1 HIS A 6 2.427 -8.277 -1.580 1.00 3.13 N ATOM 89 CD2 HIS A 6 1.198 -9.704 -2.685 1.00 44.50 C ATOM 90 CE1 HIS A 6 2.607 -9.461 -1.023 1.00 21.24 C ATOM 91 NE2 HIS A 6 1.872 -10.344 -1.674 1.00 61.24 N ATOM 0 H HIS A 6 -0.092 -4.659 -3.219 1.00 32.34 H new ATOM 0 HA HIS A 6 -1.010 -7.429 -3.645 1.00 32.44 H new ATOM 0 HB2 HIS A 6 1.189 -7.522 -4.531 1.00 32.03 H new ATOM 0 HB3 HIS A 6 1.822 -6.413 -3.330 1.00 32.03 H new ATOM 0 HD2 HIS A 6 0.518 -10.159 -3.390 1.00 44.50 H new ATOM 0 HE1 HIS A 6 3.247 -9.671 -0.179 1.00 21.24 H new ATOM 0 HE2 HIS A 6 1.814 -11.340 -1.461 1.00 61.24 H new ATOM 99 N ASP A 7 -1.771 -7.021 -1.281 1.00 12.54 N ATOM 100 CA ASP A 7 -2.133 -7.040 0.132 1.00 74.31 C ATOM 101 C ASP A 7 -2.696 -8.401 0.530 1.00 61.44 C ATOM 102 O ASP A 7 -3.740 -8.822 0.032 1.00 32.11 O ATOM 103 CB ASP A 7 -3.156 -5.944 0.433 1.00 34.04 C ATOM 104 CG ASP A 7 -2.742 -5.071 1.601 1.00 2.51 C ATOM 105 OD1 ASP A 7 -2.926 -3.838 1.515 1.00 31.14 O ATOM 106 OD2 ASP A 7 -2.234 -5.619 2.601 1.00 62.41 O ATOM 0 H ASP A 7 -2.537 -7.246 -1.916 1.00 12.54 H new ATOM 0 HA ASP A 7 -1.231 -6.855 0.715 1.00 74.31 H new ATOM 0 HB2 ASP A 7 -3.289 -5.322 -0.452 1.00 34.04 H new ATOM 0 HB3 ASP A 7 -4.121 -6.402 0.649 1.00 34.04 H new ATOM 111 N SER A 8 -1.996 -9.086 1.429 1.00 44.43 N ATOM 112 CA SER A 8 -2.422 -10.402 1.890 1.00 54.43 C ATOM 113 C SER A 8 -3.643 -10.289 2.799 1.00 65.42 C ATOM 114 O SER A 8 -4.252 -11.293 3.166 1.00 64.32 O ATOM 115 CB SER A 8 -1.282 -11.100 2.632 1.00 5.13 C ATOM 116 OG SER A 8 -0.072 -10.371 2.511 1.00 15.32 O ATOM 0 H SER A 8 -1.131 -8.751 1.853 1.00 44.43 H new ATOM 0 HA SER A 8 -2.694 -10.996 1.017 1.00 54.43 H new ATOM 0 HB2 SER A 8 -1.542 -11.208 3.685 1.00 5.13 H new ATOM 0 HB3 SER A 8 -1.146 -12.105 2.233 1.00 5.13 H new ATOM 0 HG SER A 8 0.641 -10.837 2.996 1.00 15.32 H new ATOM 122 N GLY A 9 -3.994 -9.058 3.159 1.00 64.44 N ATOM 123 CA GLY A 9 -5.139 -8.836 4.022 1.00 61.13 C ATOM 124 C GLY A 9 -6.147 -7.882 3.413 1.00 75.54 C ATOM 125 O GLY A 9 -7.346 -7.985 3.674 1.00 32.34 O ATOM 0 H GLY A 9 -3.506 -8.211 2.868 1.00 64.44 H new ATOM 0 HA2 GLY A 9 -5.625 -9.790 4.229 1.00 61.13 H new ATOM 0 HA3 GLY A 9 -4.798 -8.438 4.978 1.00 61.13 H new ATOM 129 N TYR A 10 -5.662 -6.951 2.599 1.00 32.13 N ATOM 130 CA TYR A 10 -6.529 -5.972 1.955 1.00 75.35 C ATOM 131 C TYR A 10 -7.016 -6.483 0.602 1.00 43.25 C ATOM 132 O TYR A 10 -8.031 -6.023 0.081 1.00 14.54 O ATOM 133 CB TYR A 10 -5.791 -4.645 1.776 1.00 41.23 C ATOM 134 CG TYR A 10 -6.680 -3.432 1.928 1.00 13.33 C ATOM 135 CD1 TYR A 10 -7.291 -2.851 0.824 1.00 54.23 C ATOM 136 CD2 TYR A 10 -6.909 -2.866 3.176 1.00 10.43 C ATOM 137 CE1 TYR A 10 -8.104 -1.742 0.958 1.00 53.11 C ATOM 138 CE2 TYR A 10 -7.722 -1.758 3.320 1.00 4.21 C ATOM 139 CZ TYR A 10 -8.317 -1.199 2.208 1.00 23.51 C ATOM 140 OH TYR A 10 -9.126 -0.095 2.347 1.00 3.01 O ATOM 0 H TYR A 10 -4.673 -6.854 2.370 1.00 32.13 H new ATOM 0 HA TYR A 10 -7.396 -5.814 2.597 1.00 75.35 H new ATOM 0 HB2 TYR A 10 -4.983 -4.587 2.506 1.00 41.23 H new ATOM 0 HB3 TYR A 10 -5.330 -4.626 0.788 1.00 41.23 H new ATOM 0 HD1 TYR A 10 -7.128 -3.274 -0.156 1.00 54.23 H new ATOM 0 HD2 TYR A 10 -6.443 -3.300 4.049 1.00 10.43 H new ATOM 0 HE1 TYR A 10 -8.570 -1.303 0.089 1.00 53.11 H new ATOM 0 HE2 TYR A 10 -7.891 -1.332 4.298 1.00 4.21 H new ATOM 0 HH TYR A 10 -9.172 0.160 3.292 1.00 3.01 H new ATOM 150 N GLU A 11 -6.282 -7.438 0.038 1.00 12.32 N ATOM 151 CA GLU A 11 -6.638 -8.011 -1.254 1.00 72.33 C ATOM 152 C GLU A 11 -6.992 -9.489 -1.115 1.00 14.02 C ATOM 153 O GLU A 11 -6.478 -10.334 -1.848 1.00 32.15 O ATOM 154 CB GLU A 11 -5.486 -7.843 -2.247 1.00 24.34 C ATOM 155 CG GLU A 11 -5.939 -7.727 -3.692 1.00 71.11 C ATOM 156 CD GLU A 11 -5.473 -6.442 -4.348 1.00 42.03 C ATOM 157 OE1 GLU A 11 -4.539 -6.504 -5.175 1.00 3.20 O ATOM 158 OE2 GLU A 11 -6.041 -5.375 -4.035 1.00 73.24 O ATOM 0 H GLU A 11 -5.438 -7.830 0.456 1.00 12.32 H new ATOM 0 HA GLU A 11 -7.512 -7.479 -1.629 1.00 72.33 H new ATOM 0 HB2 GLU A 11 -4.916 -6.953 -1.981 1.00 24.34 H new ATOM 0 HB3 GLU A 11 -4.811 -8.694 -2.154 1.00 24.34 H new ATOM 0 HG2 GLU A 11 -5.559 -8.578 -4.257 1.00 71.11 H new ATOM 0 HG3 GLU A 11 -7.027 -7.778 -3.733 1.00 71.11 H new ATOM 165 N VAL A 12 -7.875 -9.793 -0.168 1.00 65.20 N ATOM 166 CA VAL A 12 -8.299 -11.168 0.068 1.00 2.03 C ATOM 167 C VAL A 12 -9.810 -11.309 -0.073 1.00 12.31 C ATOM 168 O VAL A 12 -10.462 -10.495 -0.729 1.00 62.41 O ATOM 169 CB VAL A 12 -7.878 -11.652 1.468 1.00 23.45 C ATOM 170 CG1 VAL A 12 -7.335 -13.072 1.402 1.00 41.23 C ATOM 171 CG2 VAL A 12 -6.850 -10.707 2.072 1.00 64.41 C ATOM 0 H VAL A 12 -8.310 -9.106 0.448 1.00 65.20 H new ATOM 0 HA VAL A 12 -7.808 -11.785 -0.685 1.00 2.03 H new ATOM 0 HB VAL A 12 -8.758 -11.655 2.112 1.00 23.45 H new ATOM 0 HG11 VAL A 12 -7.043 -13.397 2.401 1.00 41.23 H new ATOM 0 HG12 VAL A 12 -8.106 -13.739 1.015 1.00 41.23 H new ATOM 0 HG13 VAL A 12 -6.467 -13.099 0.743 1.00 41.23 H new ATOM 0 HG21 VAL A 12 -6.564 -11.065 3.061 1.00 64.41 H new ATOM 0 HG22 VAL A 12 -5.969 -10.670 1.431 1.00 64.41 H new ATOM 0 HG23 VAL A 12 -7.279 -9.709 2.157 1.00 64.41 H new ATOM 181 N HIS A 13 -10.363 -12.346 0.548 1.00 71.13 N ATOM 182 CA HIS A 13 -11.799 -12.593 0.492 1.00 35.34 C ATOM 183 C HIS A 13 -12.582 -11.323 0.810 1.00 11.22 C ATOM 184 O HIS A 13 -13.731 -11.169 0.395 1.00 33.12 O ATOM 185 CB HIS A 13 -12.186 -13.702 1.471 1.00 24.45 C ATOM 186 CG HIS A 13 -13.384 -13.373 2.307 1.00 73.31 C ATOM 187 ND1 HIS A 13 -14.672 -13.703 1.939 1.00 43.44 N ATOM 188 CD2 HIS A 13 -13.486 -12.742 3.500 1.00 63.11 C ATOM 189 CE1 HIS A 13 -15.513 -13.287 2.868 1.00 12.40 C ATOM 190 NE2 HIS A 13 -14.819 -12.701 3.827 1.00 42.32 N ATOM 0 H HIS A 13 -9.839 -13.028 1.096 1.00 71.13 H new ATOM 0 HA HIS A 13 -12.048 -12.909 -0.521 1.00 35.34 H new ATOM 0 HB2 HIS A 13 -12.384 -14.616 0.911 1.00 24.45 H new ATOM 0 HB3 HIS A 13 -11.340 -13.907 2.128 1.00 24.45 H new ATOM 0 HD2 HIS A 13 -12.670 -12.345 4.086 1.00 63.11 H new ATOM 0 HE1 HIS A 13 -16.586 -13.406 2.847 1.00 12.40 H new ATOM 0 HE2 HIS A 13 -15.210 -12.286 4.673 1.00 42.32 H new ATOM 198 N HIS A 14 -11.952 -10.415 1.549 1.00 15.14 N ATOM 199 CA HIS A 14 -12.590 -9.157 1.923 1.00 32.51 C ATOM 200 C HIS A 14 -13.309 -8.537 0.729 1.00 72.10 C ATOM 201 O HIS A 14 -14.383 -7.954 0.875 1.00 51.14 O ATOM 202 CB HIS A 14 -11.552 -8.179 2.473 1.00 14.32 C ATOM 203 CG HIS A 14 -12.041 -7.384 3.645 1.00 41.32 C ATOM 204 ND1 HIS A 14 -13.179 -6.607 3.605 1.00 13.30 N ATOM 205 CD2 HIS A 14 -11.539 -7.250 4.895 1.00 52.32 C ATOM 206 CE1 HIS A 14 -13.356 -6.028 4.779 1.00 2.23 C ATOM 207 NE2 HIS A 14 -12.374 -6.402 5.580 1.00 13.10 N ATOM 0 H HIS A 14 -11.001 -10.527 1.901 1.00 15.14 H new ATOM 0 HA HIS A 14 -13.326 -9.367 2.699 1.00 32.51 H new ATOM 0 HB2 HIS A 14 -10.661 -8.734 2.767 1.00 14.32 H new ATOM 0 HB3 HIS A 14 -11.253 -7.494 1.679 1.00 14.32 H new ATOM 0 HD2 HIS A 14 -10.648 -7.722 5.281 1.00 52.32 H new ATOM 0 HE1 HIS A 14 -14.165 -5.362 5.040 1.00 2.23 H new ATOM 0 HE2 HIS A 14 -12.255 -6.108 6.550 1.00 13.10 H new ATOM 215 N GLN A 15 -12.709 -8.667 -0.450 1.00 11.12 N ATOM 216 CA GLN A 15 -13.292 -8.117 -1.668 1.00 33.30 C ATOM 217 C GLN A 15 -12.777 -8.855 -2.899 1.00 62.22 C ATOM 218 O GLN A 15 -11.578 -8.855 -3.180 1.00 50.30 O ATOM 219 CB GLN A 15 -12.975 -6.625 -1.783 1.00 24.43 C ATOM 220 CG GLN A 15 -11.723 -6.210 -1.027 1.00 20.04 C ATOM 221 CD GLN A 15 -10.473 -6.892 -1.548 1.00 12.43 C ATOM 222 OE1 GLN A 15 -9.978 -6.565 -2.626 1.00 43.45 O ATOM 223 NE2 GLN A 15 -9.956 -7.845 -0.782 1.00 62.42 N ATOM 0 H GLN A 15 -11.820 -9.148 -0.587 1.00 11.12 H new ATOM 0 HA GLN A 15 -14.373 -8.248 -1.614 1.00 33.30 H new ATOM 0 HB2 GLN A 15 -12.856 -6.367 -2.835 1.00 24.43 H new ATOM 0 HB3 GLN A 15 -13.823 -6.052 -1.408 1.00 24.43 H new ATOM 0 HG2 GLN A 15 -11.600 -5.129 -1.101 1.00 20.04 H new ATOM 0 HG3 GLN A 15 -11.847 -6.445 0.030 1.00 20.04 H new ATOM 0 HE21 GLN A 15 -10.400 -8.083 0.105 1.00 62.42 H new ATOM 0 HE22 GLN A 15 -9.115 -8.339 -1.080 1.00 62.42 H new ATOM 232 N LYS A 16 -13.690 -9.485 -3.631 1.00 41.40 N ATOM 233 CA LYS A 16 -13.329 -10.226 -4.833 1.00 60.34 C ATOM 234 C LYS A 16 -14.280 -9.899 -5.980 1.00 63.04 C ATOM 235 O LYS A 16 -14.178 -10.471 -7.067 1.00 13.23 O ATOM 236 CB LYS A 16 -13.348 -11.731 -4.554 1.00 54.13 C ATOM 237 CG LYS A 16 -12.668 -12.558 -5.631 1.00 42.02 C ATOM 238 CD LYS A 16 -12.109 -13.854 -5.069 1.00 31.31 C ATOM 239 CE LYS A 16 -11.913 -14.896 -6.160 1.00 21.24 C ATOM 240 NZ LYS A 16 -13.193 -15.561 -6.528 1.00 74.13 N ATOM 0 H LYS A 16 -14.686 -9.497 -3.412 1.00 41.40 H new ATOM 0 HA LYS A 16 -12.321 -9.929 -5.124 1.00 60.34 H new ATOM 0 HB2 LYS A 16 -12.859 -11.921 -3.599 1.00 54.13 H new ATOM 0 HB3 LYS A 16 -14.382 -12.060 -4.454 1.00 54.13 H new ATOM 0 HG2 LYS A 16 -13.382 -12.782 -6.424 1.00 42.02 H new ATOM 0 HG3 LYS A 16 -11.862 -11.978 -6.082 1.00 42.02 H new ATOM 0 HD2 LYS A 16 -11.157 -13.657 -4.577 1.00 31.31 H new ATOM 0 HD3 LYS A 16 -12.786 -14.244 -4.309 1.00 31.31 H new ATOM 0 HE2 LYS A 16 -11.483 -14.422 -7.042 1.00 21.24 H new ATOM 0 HE3 LYS A 16 -11.198 -15.646 -5.822 1.00 21.24 H new ATOM 0 HZ1 LYS A 16 -13.017 -16.264 -7.274 1.00 74.13 H new ATOM 0 HZ2 LYS A 16 -13.591 -16.035 -5.692 1.00 74.13 H new ATOM 0 HZ3 LYS A 16 -13.867 -14.849 -6.875 1.00 74.13 H new ATOM 254 N LEU A 17 -15.202 -8.975 -5.733 1.00 61.41 N ATOM 255 CA LEU A 17 -16.170 -8.571 -6.746 1.00 52.43 C ATOM 256 C LEU A 17 -16.102 -7.067 -6.995 1.00 32.14 C ATOM 257 O LEU A 17 -16.729 -6.551 -7.920 1.00 61.11 O ATOM 258 CB LEU A 17 -17.584 -8.964 -6.315 1.00 30.21 C ATOM 259 CG LEU A 17 -17.804 -10.446 -6.007 1.00 3.23 C ATOM 260 CD1 LEU A 17 -19.199 -10.673 -5.446 1.00 61.20 C ATOM 261 CD2 LEU A 17 -17.585 -11.288 -7.255 1.00 24.31 C ATOM 0 H LEU A 17 -15.299 -8.492 -4.840 1.00 61.41 H new ATOM 0 HA LEU A 17 -15.923 -9.086 -7.674 1.00 52.43 H new ATOM 0 HB2 LEU A 17 -17.846 -8.386 -5.428 1.00 30.21 H new ATOM 0 HB3 LEU A 17 -18.277 -8.670 -7.103 1.00 30.21 H new ATOM 0 HG LEU A 17 -17.078 -10.753 -5.254 1.00 3.23 H new ATOM 0 HD11 LEU A 17 -19.337 -11.733 -5.233 1.00 61.20 H new ATOM 0 HD12 LEU A 17 -19.319 -10.099 -4.527 1.00 61.20 H new ATOM 0 HD13 LEU A 17 -19.942 -10.350 -6.175 1.00 61.20 H new ATOM 0 HD21 LEU A 17 -17.746 -12.340 -7.017 1.00 24.31 H new ATOM 0 HD22 LEU A 17 -18.287 -10.980 -8.030 1.00 24.31 H new ATOM 0 HD23 LEU A 17 -16.565 -11.149 -7.613 1.00 24.31 H new ATOM 273 N VAL A 18 -15.335 -6.369 -6.163 1.00 31.20 N ATOM 274 CA VAL A 18 -15.182 -4.925 -6.294 1.00 60.21 C ATOM 275 C VAL A 18 -14.067 -4.578 -7.275 1.00 15.45 C ATOM 276 O VAL A 18 -13.713 -3.410 -7.440 1.00 32.11 O ATOM 277 CB VAL A 18 -14.879 -4.267 -4.935 1.00 23.32 C ATOM 278 CG1 VAL A 18 -13.439 -4.532 -4.522 1.00 62.45 C ATOM 279 CG2 VAL A 18 -15.159 -2.773 -4.992 1.00 70.22 C ATOM 0 H VAL A 18 -14.810 -6.780 -5.391 1.00 31.20 H new ATOM 0 HA VAL A 18 -16.128 -4.539 -6.673 1.00 60.21 H new ATOM 0 HB VAL A 18 -15.534 -4.708 -4.184 1.00 23.32 H new ATOM 0 HG11 VAL A 18 -13.244 -4.059 -3.559 1.00 62.45 H new ATOM 0 HG12 VAL A 18 -13.276 -5.607 -4.438 1.00 62.45 H new ATOM 0 HG13 VAL A 18 -12.764 -4.120 -5.272 1.00 62.45 H new ATOM 0 HG21 VAL A 18 -14.939 -2.324 -4.023 1.00 70.22 H new ATOM 0 HG22 VAL A 18 -14.531 -2.314 -5.755 1.00 70.22 H new ATOM 0 HG23 VAL A 18 -16.208 -2.609 -5.239 1.00 70.22 H new ATOM 289 N PHE A 19 -13.518 -5.599 -7.924 1.00 11.24 N ATOM 290 CA PHE A 19 -12.443 -5.402 -8.889 1.00 4.25 C ATOM 291 C PHE A 19 -13.003 -5.197 -10.293 1.00 63.11 C ATOM 292 O PHE A 19 -12.281 -5.311 -11.284 1.00 50.01 O ATOM 293 CB PHE A 19 -11.492 -6.600 -8.876 1.00 63.40 C ATOM 294 CG PHE A 19 -10.040 -6.214 -8.861 1.00 34.12 C ATOM 295 CD1 PHE A 19 -9.522 -5.457 -7.823 1.00 12.14 C ATOM 296 CD2 PHE A 19 -9.194 -6.608 -9.885 1.00 53.20 C ATOM 297 CE1 PHE A 19 -8.187 -5.100 -7.805 1.00 40.13 C ATOM 298 CE2 PHE A 19 -7.858 -6.254 -9.873 1.00 33.31 C ATOM 299 CZ PHE A 19 -7.354 -5.498 -8.832 1.00 72.45 C ATOM 0 H PHE A 19 -13.800 -6.571 -7.799 1.00 11.24 H new ATOM 0 HA PHE A 19 -11.891 -4.506 -8.603 1.00 4.25 H new ATOM 0 HB2 PHE A 19 -11.705 -7.213 -8.001 1.00 63.40 H new ATOM 0 HB3 PHE A 19 -11.686 -7.217 -9.753 1.00 63.40 H new ATOM 0 HD1 PHE A 19 -10.169 -5.142 -7.018 1.00 12.14 H new ATOM 0 HD2 PHE A 19 -9.583 -7.198 -10.702 1.00 53.20 H new ATOM 0 HE1 PHE A 19 -7.796 -4.511 -6.989 1.00 40.13 H new ATOM 0 HE2 PHE A 19 -7.208 -6.568 -10.677 1.00 33.31 H new ATOM 0 HZ PHE A 19 -6.311 -5.219 -8.822 1.00 72.45 H new ATOM 309 N PHE A 20 -14.295 -4.895 -10.370 1.00 45.02 N ATOM 310 CA PHE A 20 -14.953 -4.676 -11.653 1.00 12.14 C ATOM 311 C PHE A 20 -16.113 -3.695 -11.508 1.00 1.22 C ATOM 312 O PHE A 20 -16.991 -3.624 -12.367 1.00 70.20 O ATOM 313 CB PHE A 20 -15.460 -6.002 -12.223 1.00 34.13 C ATOM 314 CG PHE A 20 -15.595 -5.999 -13.719 1.00 22.34 C ATOM 315 CD1 PHE A 20 -16.819 -6.248 -14.318 1.00 10.30 C ATOM 316 CD2 PHE A 20 -14.497 -5.749 -14.526 1.00 4.25 C ATOM 317 CE1 PHE A 20 -16.946 -6.246 -15.694 1.00 52.43 C ATOM 318 CE2 PHE A 20 -14.618 -5.745 -15.902 1.00 42.13 C ATOM 319 CZ PHE A 20 -15.844 -5.995 -16.487 1.00 42.24 C ATOM 0 H PHE A 20 -14.907 -4.796 -9.560 1.00 45.02 H new ATOM 0 HA PHE A 20 -14.222 -4.249 -12.340 1.00 12.14 H new ATOM 0 HB2 PHE A 20 -14.777 -6.799 -11.929 1.00 34.13 H new ATOM 0 HB3 PHE A 20 -16.429 -6.232 -11.779 1.00 34.13 H new ATOM 0 HD1 PHE A 20 -17.684 -6.446 -13.702 1.00 10.30 H new ATOM 0 HD2 PHE A 20 -13.535 -5.555 -14.074 1.00 4.25 H new ATOM 0 HE1 PHE A 20 -17.906 -6.441 -16.149 1.00 52.43 H new ATOM 0 HE2 PHE A 20 -13.755 -5.547 -16.520 1.00 42.13 H new ATOM 0 HZ PHE A 20 -15.940 -5.994 -17.563 1.00 42.24 H new ATOM 329 N ALA A 21 -16.109 -2.940 -10.414 1.00 25.11 N ATOM 330 CA ALA A 21 -17.158 -1.962 -10.156 1.00 73.33 C ATOM 331 C ALA A 21 -16.583 -0.554 -10.051 1.00 21.02 C ATOM 332 O ALA A 21 -17.255 0.426 -10.371 1.00 63.34 O ATOM 333 CB ALA A 21 -17.914 -2.322 -8.886 1.00 35.10 C ATOM 0 H ALA A 21 -15.390 -2.987 -9.692 1.00 25.11 H new ATOM 0 HA ALA A 21 -17.852 -1.980 -10.996 1.00 73.33 H new ATOM 0 HB1 ALA A 21 -18.695 -1.583 -8.705 1.00 35.10 H new ATOM 0 HB2 ALA A 21 -18.366 -3.307 -8.999 1.00 35.10 H new ATOM 0 HB3 ALA A 21 -17.224 -2.334 -8.043 1.00 35.10 H new ATOM 339 N GLU A 22 -15.336 -0.461 -9.599 1.00 32.32 N ATOM 340 CA GLU A 22 -14.672 0.828 -9.450 1.00 52.30 C ATOM 341 C GLU A 22 -14.047 1.274 -10.769 1.00 21.32 C ATOM 342 O GLU A 22 -12.843 1.521 -10.845 1.00 72.42 O ATOM 343 CB GLU A 22 -13.597 0.751 -8.364 1.00 15.44 C ATOM 344 CG GLU A 22 -13.413 2.050 -7.597 1.00 10.12 C ATOM 345 CD GLU A 22 -14.703 2.549 -6.976 1.00 11.14 C ATOM 346 OE1 GLU A 22 -15.197 3.612 -7.408 1.00 22.21 O ATOM 347 OE2 GLU A 22 -15.219 1.878 -6.058 1.00 22.14 O ATOM 0 H GLU A 22 -14.766 -1.263 -9.330 1.00 32.32 H new ATOM 0 HA GLU A 22 -15.422 1.562 -9.157 1.00 52.30 H new ATOM 0 HB2 GLU A 22 -13.857 -0.042 -7.663 1.00 15.44 H new ATOM 0 HB3 GLU A 22 -12.648 0.472 -8.823 1.00 15.44 H new ATOM 0 HG2 GLU A 22 -12.670 1.902 -6.813 1.00 10.12 H new ATOM 0 HG3 GLU A 22 -13.019 2.812 -8.270 1.00 10.12 H new ATOM 354 N ASP A 23 -14.873 1.373 -11.804 1.00 41.34 N ATOM 355 CA ASP A 23 -14.402 1.789 -13.121 1.00 12.14 C ATOM 356 C ASP A 23 -15.560 1.874 -14.110 1.00 13.11 C ATOM 357 O ASP A 23 -15.590 2.751 -14.973 1.00 50.22 O ATOM 358 CB ASP A 23 -13.343 0.815 -13.638 1.00 73.54 C ATOM 359 CG ASP A 23 -12.982 1.069 -15.089 1.00 11.03 C ATOM 360 OD1 ASP A 23 -12.282 2.067 -15.360 1.00 3.13 O ATOM 361 OD2 ASP A 23 -13.399 0.270 -15.953 1.00 20.35 O ATOM 0 H ASP A 23 -15.872 1.171 -11.757 1.00 41.34 H new ATOM 0 HA ASP A 23 -13.957 2.779 -13.025 1.00 12.14 H new ATOM 0 HB2 ASP A 23 -12.446 0.898 -13.024 1.00 73.54 H new ATOM 0 HB3 ASP A 23 -13.709 -0.206 -13.531 1.00 73.54 H new ATOM 366 N VAL A 24 -16.513 0.956 -13.979 1.00 24.21 N ATOM 367 CA VAL A 24 -17.673 0.927 -14.861 1.00 71.31 C ATOM 368 C VAL A 24 -18.355 2.289 -14.917 1.00 42.25 C ATOM 369 O VAL A 24 -18.952 2.655 -15.929 1.00 45.11 O ATOM 370 CB VAL A 24 -18.698 -0.129 -14.406 1.00 23.31 C ATOM 371 CG1 VAL A 24 -19.893 -0.154 -15.346 1.00 61.14 C ATOM 372 CG2 VAL A 24 -18.046 -1.501 -14.322 1.00 34.50 C ATOM 0 H VAL A 24 -16.504 0.223 -13.270 1.00 24.21 H new ATOM 0 HA VAL A 24 -17.309 0.665 -15.854 1.00 71.31 H new ATOM 0 HB VAL A 24 -19.055 0.141 -13.412 1.00 23.31 H new ATOM 0 HG11 VAL A 24 -20.606 -0.906 -15.008 1.00 61.14 H new ATOM 0 HG12 VAL A 24 -20.373 0.825 -15.351 1.00 61.14 H new ATOM 0 HG13 VAL A 24 -19.558 -0.399 -16.354 1.00 61.14 H new ATOM 0 HG21 VAL A 24 -18.784 -2.235 -13.999 1.00 34.50 H new ATOM 0 HG22 VAL A 24 -17.660 -1.781 -15.302 1.00 34.50 H new ATOM 0 HG23 VAL A 24 -17.226 -1.471 -13.604 1.00 34.50 H new ATOM 382 N GLY A 25 -18.261 3.038 -13.822 1.00 73.43 N ATOM 383 CA GLY A 25 -18.873 4.352 -13.768 1.00 14.32 C ATOM 384 C GLY A 25 -18.446 5.239 -14.921 1.00 11.04 C ATOM 385 O GLY A 25 -19.208 6.095 -15.370 1.00 74.42 O ATOM 0 H GLY A 25 -17.772 2.758 -12.972 1.00 73.43 H new ATOM 0 HA2 GLY A 25 -19.958 4.245 -13.779 1.00 14.32 H new ATOM 0 HA3 GLY A 25 -18.609 4.834 -12.826 1.00 14.32 H new ATOM 389 N SER A 26 -17.223 5.036 -15.399 1.00 41.13 N ATOM 390 CA SER A 26 -16.693 5.828 -16.503 1.00 70.13 C ATOM 391 C SER A 26 -16.435 4.952 -17.726 1.00 34.24 C ATOM 392 O SER A 26 -15.324 4.466 -17.931 1.00 72.22 O ATOM 393 CB SER A 26 -15.400 6.528 -16.082 1.00 3.01 C ATOM 394 OG SER A 26 -14.396 5.586 -15.746 1.00 63.12 O ATOM 0 H SER A 26 -16.580 4.330 -15.039 1.00 41.13 H new ATOM 0 HA SER A 26 -17.436 6.581 -16.767 1.00 70.13 H new ATOM 0 HB2 SER A 26 -15.048 7.166 -16.892 1.00 3.01 H new ATOM 0 HB3 SER A 26 -15.595 7.176 -15.228 1.00 3.01 H new ATOM 0 HG SER A 26 -14.355 4.891 -16.436 1.00 63.12 H new ATOM 400 N ASN A 27 -17.472 4.755 -18.534 1.00 10.22 N ATOM 401 CA ASN A 27 -17.359 3.937 -19.736 1.00 54.30 C ATOM 402 C ASN A 27 -16.187 4.396 -20.598 1.00 55.34 C ATOM 403 O ASN A 27 -15.189 3.689 -20.736 1.00 51.14 O ATOM 404 CB ASN A 27 -18.657 4.000 -20.544 1.00 51.11 C ATOM 405 CG ASN A 27 -18.791 2.842 -21.514 1.00 42.00 C ATOM 406 OD1 ASN A 27 -18.893 3.040 -22.725 1.00 5.42 O ATOM 407 ND2 ASN A 27 -18.792 1.624 -20.985 1.00 5.24 N ATOM 0 H ASN A 27 -18.399 5.150 -18.378 1.00 10.22 H new ATOM 0 HA ASN A 27 -17.179 2.907 -19.429 1.00 54.30 H new ATOM 0 HB2 ASN A 27 -19.507 3.999 -19.862 1.00 51.11 H new ATOM 0 HB3 ASN A 27 -18.693 4.939 -21.096 1.00 51.11 H new ATOM 0 HD21 ASN A 27 -18.880 0.806 -21.588 1.00 5.24 H new ATOM 0 HD22 ASN A 27 -18.705 1.506 -19.976 1.00 5.24 H new ATOM 414 N LYS A 28 -16.316 5.586 -21.177 1.00 22.43 N ATOM 415 CA LYS A 28 -15.268 6.142 -22.024 1.00 61.34 C ATOM 416 C LYS A 28 -15.117 5.330 -23.307 1.00 32.42 C ATOM 417 O LYS A 28 -14.995 4.106 -23.267 1.00 44.24 O ATOM 418 CB LYS A 28 -13.937 6.175 -21.270 1.00 21.12 C ATOM 419 CG LYS A 28 -13.313 7.558 -21.197 1.00 73.00 C ATOM 420 CD LYS A 28 -12.991 8.098 -22.580 1.00 63.33 C ATOM 421 CE LYS A 28 -12.417 9.505 -22.510 1.00 30.43 C ATOM 422 NZ LYS A 28 -13.354 10.515 -23.075 1.00 62.44 N ATOM 0 H LYS A 28 -17.136 6.183 -21.075 1.00 22.43 H new ATOM 0 HA LYS A 28 -15.553 7.160 -22.290 1.00 61.34 H new ATOM 0 HB2 LYS A 28 -14.093 5.802 -20.258 1.00 21.12 H new ATOM 0 HB3 LYS A 28 -13.237 5.495 -21.756 1.00 21.12 H new ATOM 0 HG2 LYS A 28 -13.995 8.240 -20.689 1.00 73.00 H new ATOM 0 HG3 LYS A 28 -12.402 7.516 -20.601 1.00 73.00 H new ATOM 0 HD2 LYS A 28 -12.278 7.437 -23.073 1.00 63.33 H new ATOM 0 HD3 LYS A 28 -13.895 8.103 -23.189 1.00 63.33 H new ATOM 0 HE2 LYS A 28 -12.195 9.756 -21.473 1.00 30.43 H new ATOM 0 HE3 LYS A 28 -11.474 9.540 -23.055 1.00 30.43 H new ATOM 0 HZ1 LYS A 28 -12.926 11.461 -23.009 1.00 62.44 H new ATOM 0 HZ2 LYS A 28 -13.546 10.291 -24.072 1.00 62.44 H new ATOM 0 HZ3 LYS A 28 -14.245 10.500 -22.539 1.00 62.44 H new ATOM 436 N GLY A 29 -15.126 6.019 -24.443 1.00 41.55 N ATOM 437 CA GLY A 29 -14.988 5.345 -25.721 1.00 40.53 C ATOM 438 C GLY A 29 -16.323 5.108 -26.398 1.00 71.34 C ATOM 439 O GLY A 29 -16.378 4.826 -27.595 1.00 73.20 O ATOM 0 H GLY A 29 -15.226 7.032 -24.502 1.00 41.55 H new ATOM 0 HA2 GLY A 29 -14.353 5.941 -26.376 1.00 40.53 H new ATOM 0 HA3 GLY A 29 -14.485 4.390 -25.572 1.00 40.53 H new ATOM 443 N ALA A 30 -17.402 5.220 -25.631 1.00 33.31 N ATOM 444 CA ALA A 30 -18.743 5.015 -26.164 1.00 54.21 C ATOM 445 C ALA A 30 -19.671 6.159 -25.770 1.00 52.52 C ATOM 446 O ALA A 30 -20.885 6.081 -25.962 1.00 31.44 O ATOM 447 CB ALA A 30 -19.306 3.687 -25.681 1.00 74.42 C ATOM 0 H ALA A 30 -17.374 5.452 -24.638 1.00 33.31 H new ATOM 0 HA ALA A 30 -18.675 4.994 -27.252 1.00 54.21 H new ATOM 0 HB1 ALA A 30 -20.308 3.547 -26.087 1.00 74.42 H new ATOM 0 HB2 ALA A 30 -18.662 2.875 -26.017 1.00 74.42 H new ATOM 0 HB3 ALA A 30 -19.352 3.686 -24.592 1.00 74.42 H new ATOM 453 N ILE A 31 -19.093 7.221 -25.219 1.00 3.00 N ATOM 454 CA ILE A 31 -19.869 8.381 -24.799 1.00 4.22 C ATOM 455 C ILE A 31 -19.154 9.680 -25.157 1.00 63.30 C ATOM 456 O ILE A 31 -19.097 10.611 -24.353 1.00 71.23 O ATOM 457 CB ILE A 31 -20.139 8.359 -23.283 1.00 21.42 C ATOM 458 CG1 ILE A 31 -20.077 6.925 -22.753 1.00 21.41 C ATOM 459 CG2 ILE A 31 -21.492 8.984 -22.977 1.00 4.14 C ATOM 460 CD1 ILE A 31 -20.697 6.759 -21.383 1.00 3.20 C ATOM 0 H ILE A 31 -18.090 7.302 -25.053 1.00 3.00 H new ATOM 0 HA ILE A 31 -20.820 8.333 -25.330 1.00 4.22 H new ATOM 0 HB ILE A 31 -19.368 8.945 -22.783 1.00 21.42 H new ATOM 0 HG12 ILE A 31 -20.586 6.265 -23.455 1.00 21.41 H new ATOM 0 HG13 ILE A 31 -19.035 6.606 -22.712 1.00 21.41 H new ATOM 0 HG21 ILE A 31 -21.669 8.961 -21.902 1.00 4.14 H new ATOM 0 HG22 ILE A 31 -21.503 10.017 -23.325 1.00 4.14 H new ATOM 0 HG23 ILE A 31 -22.276 8.422 -23.485 1.00 4.14 H new ATOM 0 HD11 ILE A 31 -20.617 5.718 -21.071 1.00 3.20 H new ATOM 0 HD12 ILE A 31 -20.174 7.393 -20.668 1.00 3.20 H new ATOM 0 HD13 ILE A 31 -21.748 7.046 -21.422 1.00 3.20 H new ATOM 472 N ILE A 32 -18.611 9.735 -26.369 1.00 20.14 N ATOM 473 CA ILE A 32 -17.902 10.921 -26.834 1.00 75.53 C ATOM 474 C ILE A 32 -18.878 12.010 -27.265 1.00 13.41 C ATOM 475 O ILE A 32 -18.522 13.186 -27.332 1.00 12.13 O ATOM 476 CB ILE A 32 -16.967 10.591 -28.012 1.00 65.31 C ATOM 477 CG1 ILE A 32 -16.289 11.863 -28.526 1.00 14.04 C ATOM 478 CG2 ILE A 32 -17.742 9.909 -29.130 1.00 25.45 C ATOM 479 CD1 ILE A 32 -17.019 12.511 -29.682 1.00 3.25 C ATOM 0 H ILE A 32 -18.648 8.973 -27.046 1.00 20.14 H new ATOM 0 HA ILE A 32 -17.305 11.281 -25.996 1.00 75.53 H new ATOM 0 HB ILE A 32 -16.195 9.906 -27.662 1.00 65.31 H new ATOM 0 HG12 ILE A 32 -16.211 12.580 -27.708 1.00 14.04 H new ATOM 0 HG13 ILE A 32 -15.272 11.623 -28.837 1.00 14.04 H new ATOM 0 HG21 ILE A 32 -17.067 9.682 -29.955 1.00 25.45 H new ATOM 0 HG22 ILE A 32 -18.182 8.984 -28.756 1.00 25.45 H new ATOM 0 HG23 ILE A 32 -18.534 10.571 -29.480 1.00 25.45 H new ATOM 0 HD11 ILE A 32 -16.483 13.407 -29.995 1.00 3.25 H new ATOM 0 HD12 ILE A 32 -17.074 11.811 -30.516 1.00 3.25 H new ATOM 0 HD13 ILE A 32 -18.027 12.783 -29.369 1.00 3.25 H new ATOM 491 N GLY A 33 -20.113 11.611 -27.555 1.00 10.03 N ATOM 492 CA GLY A 33 -21.122 12.566 -27.973 1.00 74.15 C ATOM 493 C GLY A 33 -22.092 12.910 -26.861 1.00 35.34 C ATOM 494 O GLY A 33 -22.914 13.817 -27.001 1.00 22.11 O ATOM 0 H GLY A 33 -20.432 10.643 -27.508 1.00 10.03 H new ATOM 0 HA2 GLY A 33 -20.634 13.477 -28.320 1.00 74.15 H new ATOM 0 HA3 GLY A 33 -21.675 12.159 -28.820 1.00 74.15 H new ATOM 498 N LEU A 34 -22.000 12.183 -25.752 1.00 52.33 N ATOM 499 CA LEU A 34 -22.878 12.415 -24.610 1.00 70.14 C ATOM 500 C LEU A 34 -22.077 12.851 -23.387 1.00 73.35 C ATOM 501 O LEU A 34 -22.602 13.517 -22.495 1.00 63.52 O ATOM 502 CB LEU A 34 -23.674 11.149 -24.288 1.00 65.45 C ATOM 503 CG LEU A 34 -25.125 11.128 -24.768 1.00 72.23 C ATOM 504 CD1 LEU A 34 -25.686 9.715 -24.713 1.00 3.15 C ATOM 505 CD2 LEU A 34 -25.976 12.074 -23.934 1.00 52.43 C ATOM 0 H LEU A 34 -21.327 11.428 -25.620 1.00 52.33 H new ATOM 0 HA LEU A 34 -23.570 13.215 -24.872 1.00 70.14 H new ATOM 0 HB2 LEU A 34 -23.155 10.296 -24.726 1.00 65.45 H new ATOM 0 HB3 LEU A 34 -23.668 11.005 -23.208 1.00 65.45 H new ATOM 0 HG LEU A 34 -25.149 11.466 -25.804 1.00 72.23 H new ATOM 0 HD11 LEU A 34 -26.720 9.720 -25.058 1.00 3.15 H new ATOM 0 HD12 LEU A 34 -25.093 9.063 -25.354 1.00 3.15 H new ATOM 0 HD13 LEU A 34 -25.648 9.348 -23.687 1.00 3.15 H new ATOM 0 HD21 LEU A 34 -27.006 12.046 -24.290 1.00 52.43 H new ATOM 0 HD22 LEU A 34 -25.945 11.766 -22.889 1.00 52.43 H new ATOM 0 HD23 LEU A 34 -25.588 13.089 -24.025 1.00 52.43 H new ATOM 517 N MET A 35 -20.804 12.472 -23.355 1.00 2.12 N ATOM 518 CA MET A 35 -19.930 12.827 -22.243 1.00 3.12 C ATOM 519 C MET A 35 -18.729 13.632 -22.730 1.00 72.14 C ATOM 520 O MET A 35 -17.692 13.682 -22.069 1.00 32.53 O ATOM 521 CB MET A 35 -19.453 11.567 -21.518 1.00 72.21 C ATOM 522 CG MET A 35 -19.434 11.706 -20.005 1.00 12.54 C ATOM 523 SD MET A 35 -17.920 11.064 -19.267 1.00 23.23 S ATOM 524 CE MET A 35 -18.119 9.308 -19.560 1.00 45.25 C ATOM 0 H MET A 35 -20.355 11.920 -24.085 1.00 2.12 H new ATOM 0 HA MET A 35 -20.501 13.443 -21.548 1.00 3.12 H new ATOM 0 HB2 MET A 35 -20.101 10.734 -21.790 1.00 72.21 H new ATOM 0 HB3 MET A 35 -18.450 11.316 -21.864 1.00 72.21 H new ATOM 0 HG2 MET A 35 -19.546 12.757 -19.739 1.00 12.54 H new ATOM 0 HG3 MET A 35 -20.290 11.178 -19.585 1.00 12.54 H new ATOM 0 HE1 MET A 35 -17.259 8.772 -19.159 1.00 45.25 H new ATOM 0 HE2 MET A 35 -19.026 8.958 -19.068 1.00 45.25 H new ATOM 0 HE3 MET A 35 -18.193 9.124 -20.632 1.00 45.25 H new ATOM 534 N VAL A 36 -18.876 14.261 -23.892 1.00 73.12 N ATOM 535 CA VAL A 36 -17.804 15.064 -24.468 1.00 13.11 C ATOM 536 C VAL A 36 -18.346 16.041 -25.506 1.00 22.51 C ATOM 537 O VAL A 36 -17.894 17.181 -25.596 1.00 43.11 O ATOM 538 CB VAL A 36 -16.729 14.178 -25.125 1.00 34.44 C ATOM 539 CG1 VAL A 36 -16.104 14.889 -26.315 1.00 12.34 C ATOM 540 CG2 VAL A 36 -15.667 13.787 -24.108 1.00 13.41 C ATOM 0 H VAL A 36 -19.727 14.230 -24.453 1.00 73.12 H new ATOM 0 HA VAL A 36 -17.352 15.623 -23.648 1.00 13.11 H new ATOM 0 HB VAL A 36 -17.206 13.267 -25.487 1.00 34.44 H new ATOM 0 HG11 VAL A 36 -15.347 14.247 -26.766 1.00 12.34 H new ATOM 0 HG12 VAL A 36 -16.876 15.113 -27.052 1.00 12.34 H new ATOM 0 HG13 VAL A 36 -15.641 15.818 -25.982 1.00 12.34 H new ATOM 0 HG21 VAL A 36 -14.915 13.161 -24.589 1.00 13.41 H new ATOM 0 HG22 VAL A 36 -15.193 14.686 -23.714 1.00 13.41 H new ATOM 0 HG23 VAL A 36 -16.131 13.234 -23.292 1.00 13.41 H new ATOM 550 N GLY A 37 -19.319 15.584 -26.289 1.00 0.22 N ATOM 551 CA GLY A 37 -19.907 16.430 -27.311 1.00 12.33 C ATOM 552 C GLY A 37 -20.402 17.751 -26.756 1.00 5.43 C ATOM 553 O GLY A 37 -19.957 18.817 -27.181 1.00 74.35 O ATOM 0 H GLY A 37 -19.710 14.644 -26.234 1.00 0.22 H new ATOM 0 HA2 GLY A 37 -19.168 16.621 -28.090 1.00 12.33 H new ATOM 0 HA3 GLY A 37 -20.737 15.903 -27.781 1.00 12.33 H new ATOM 557 N GLY A 38 -21.326 17.682 -25.802 1.00 40.54 N ATOM 558 CA GLY A 38 -21.867 18.889 -25.205 1.00 53.45 C ATOM 559 C GLY A 38 -21.107 19.314 -23.964 1.00 73.44 C ATOM 560 O GLY A 38 -21.620 20.073 -23.143 1.00 14.14 O ATOM 0 H GLY A 38 -21.709 16.812 -25.432 1.00 40.54 H new ATOM 0 HA2 GLY A 38 -21.841 19.696 -25.937 1.00 53.45 H new ATOM 0 HA3 GLY A 38 -22.914 18.726 -24.948 1.00 53.45 H new ATOM 564 N VAL A 39 -19.881 18.821 -23.826 1.00 65.33 N ATOM 565 CA VAL A 39 -19.048 19.153 -22.676 1.00 73.30 C ATOM 566 C VAL A 39 -17.750 19.823 -23.112 1.00 32.20 C ATOM 567 O VAL A 39 -17.542 21.012 -22.873 1.00 11.35 O ATOM 568 CB VAL A 39 -18.713 17.899 -21.846 1.00 4.52 C ATOM 569 CG1 VAL A 39 -17.821 18.262 -20.668 1.00 42.12 C ATOM 570 CG2 VAL A 39 -19.987 17.219 -21.370 1.00 72.23 C ATOM 0 H VAL A 39 -19.442 18.190 -24.496 1.00 65.33 H new ATOM 0 HA VAL A 39 -19.621 19.846 -22.059 1.00 73.30 H new ATOM 0 HB VAL A 39 -18.170 17.199 -22.481 1.00 4.52 H new ATOM 0 HG11 VAL A 39 -17.595 17.364 -20.093 1.00 42.12 H new ATOM 0 HG12 VAL A 39 -16.894 18.701 -21.036 1.00 42.12 H new ATOM 0 HG13 VAL A 39 -18.335 18.981 -20.030 1.00 42.12 H new ATOM 0 HG21 VAL A 39 -19.731 16.335 -20.785 1.00 72.23 H new ATOM 0 HG22 VAL A 39 -20.559 17.910 -20.751 1.00 72.23 H new ATOM 0 HG23 VAL A 39 -20.585 16.923 -22.232 1.00 72.23 H new ATOM 580 N VAL A 40 -16.879 19.051 -23.754 1.00 40.33 N ATOM 581 CA VAL A 40 -15.601 19.570 -24.226 1.00 3.21 C ATOM 582 C VAL A 40 -15.704 20.060 -25.666 1.00 20.10 C ATOM 583 O VAL A 40 -16.201 19.349 -26.540 1.00 24.41 O ATOM 584 CB VAL A 40 -14.494 18.503 -24.136 1.00 71.45 C ATOM 585 CG1 VAL A 40 -13.159 19.078 -24.585 1.00 74.11 C ATOM 586 CG2 VAL A 40 -14.398 17.952 -22.721 1.00 53.55 C ATOM 0 H VAL A 40 -17.035 18.064 -23.959 1.00 40.33 H new ATOM 0 HA VAL A 40 -15.341 20.408 -23.579 1.00 3.21 H new ATOM 0 HB VAL A 40 -14.751 17.681 -24.804 1.00 71.45 H new ATOM 0 HG11 VAL A 40 -12.389 18.309 -24.514 1.00 74.11 H new ATOM 0 HG12 VAL A 40 -13.238 19.418 -25.617 1.00 74.11 H new ATOM 0 HG13 VAL A 40 -12.891 19.919 -23.945 1.00 74.11 H new ATOM 0 HG21 VAL A 40 -13.611 17.199 -22.676 1.00 53.55 H new ATOM 0 HG22 VAL A 40 -14.165 18.762 -22.030 1.00 53.55 H new ATOM 0 HG23 VAL A 40 -15.349 17.499 -22.442 1.00 53.55 H new ATOM 596 N ILE A 41 -15.232 21.278 -25.906 1.00 5.40 N ATOM 597 CA ILE A 41 -15.269 21.863 -27.241 1.00 33.41 C ATOM 598 C ILE A 41 -13.867 22.210 -27.729 1.00 21.41 C ATOM 599 O ILE A 41 -13.339 23.279 -27.424 1.00 34.32 O ATOM 600 CB ILE A 41 -16.141 23.131 -27.276 1.00 15.54 C ATOM 601 CG1 ILE A 41 -17.494 22.865 -26.611 1.00 41.44 C ATOM 602 CG2 ILE A 41 -16.333 23.603 -28.709 1.00 41.52 C ATOM 603 CD1 ILE A 41 -18.267 21.731 -27.247 1.00 42.35 C ATOM 0 H ILE A 41 -14.819 21.880 -25.193 1.00 5.40 H new ATOM 0 HA ILE A 41 -15.705 21.114 -27.901 1.00 33.41 H new ATOM 0 HB ILE A 41 -15.633 23.919 -26.720 1.00 15.54 H new ATOM 0 HG12 ILE A 41 -17.333 22.638 -25.557 1.00 41.44 H new ATOM 0 HG13 ILE A 41 -18.096 23.773 -26.654 1.00 41.44 H new ATOM 0 HG21 ILE A 41 -16.952 24.500 -28.717 1.00 41.52 H new ATOM 0 HG22 ILE A 41 -15.362 23.828 -29.151 1.00 41.52 H new ATOM 0 HG23 ILE A 41 -16.823 22.820 -29.288 1.00 41.52 H new ATOM 0 HD11 ILE A 41 -19.215 21.599 -26.725 1.00 42.35 H new ATOM 0 HD12 ILE A 41 -18.459 21.964 -28.294 1.00 42.35 H new ATOM 0 HD13 ILE A 41 -17.685 20.812 -27.181 1.00 42.35 H new ATOM 615 N ALA A 42 -13.269 21.299 -28.490 1.00 52.14 N ATOM 616 CA ALA A 42 -11.929 21.510 -29.024 1.00 55.35 C ATOM 617 C ALA A 42 -11.887 22.735 -29.932 1.00 1.45 C ATOM 618 O ALA A 42 -10.989 22.873 -30.763 1.00 63.00 O ATOM 619 CB ALA A 42 -11.462 20.275 -29.780 1.00 42.31 C ATOM 0 H ALA A 42 -13.691 20.408 -28.750 1.00 52.14 H new ATOM 0 HA ALA A 42 -11.254 21.687 -28.186 1.00 55.35 H new ATOM 0 HB1 ALA A 42 -10.460 20.446 -30.173 1.00 42.31 H new ATOM 0 HB2 ALA A 42 -11.445 19.420 -29.105 1.00 42.31 H new ATOM 0 HB3 ALA A 42 -12.146 20.073 -30.604 1.00 42.31 H new TER 625 ALA A 42