USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 526 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 Set 1.1: A 33 MET CE :methyl -113:sc= -0.555 (180deg=-1.2) USER MOD Set 1.2: A 48 MET CE :methyl 166:sc= -2.23 (180deg=-2.89) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.00476 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.078) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0846 X(o=-0.085,f=-0.35) USER MOD Single : A 34 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 35 ASN :FLIP amide:sc= 1.14 F(o=-0.04,f=1.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0398 K(o=-0.04,f=-2.1) USER MOD Single : A 61 ASN : amide:sc=-0.00781 X(o=-0.0078,f=-0.43) USER MOD Single : A 62 TYR OH : rot 77:sc= -0.102 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl 144:sc= 0 (180deg=-0.118) USER MOD Single : A 69 MET CE :methyl -155:sc= -0.132 (180deg=-0.479) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.438 -6.664 7.129 1.00 13.10 N ATOM 2 CA MET A 1 10.500 -5.225 7.355 1.00 4.42 C ATOM 3 C MET A 1 10.166 -4.459 6.079 1.00 11.31 C ATOM 4 O MET A 1 9.090 -3.872 5.960 1.00 60.30 O ATOM 5 CB MET A 1 11.890 -4.825 7.854 1.00 24.22 C ATOM 6 CG MET A 1 12.059 -4.964 9.359 1.00 51.35 C ATOM 7 SD MET A 1 13.387 -6.098 9.807 1.00 1.42 S ATOM 8 CE MET A 1 13.745 -5.556 11.476 1.00 3.14 C ATOM 0 H1 MET A 1 10.669 -7.164 8.011 1.00 13.10 H new ATOM 0 H2 MET A 1 9.479 -6.926 6.823 1.00 13.10 H new ATOM 0 H3 MET A 1 11.122 -6.929 6.391 1.00 13.10 H new ATOM 0 HA MET A 1 9.761 -4.970 8.115 1.00 4.42 H new ATOM 0 HB2 MET A 1 12.638 -5.441 7.354 1.00 24.22 H new ATOM 0 HB3 MET A 1 12.086 -3.791 7.569 1.00 24.22 H new ATOM 0 HG2 MET A 1 12.263 -3.984 9.790 1.00 51.35 H new ATOM 0 HG3 MET A 1 11.124 -5.316 9.795 1.00 51.35 H new ATOM 0 HE1 MET A 1 14.549 -6.164 11.891 1.00 3.14 H new ATOM 0 HE2 MET A 1 14.051 -4.510 11.461 1.00 3.14 H new ATOM 0 HE3 MET A 1 12.853 -5.664 12.093 1.00 3.14 H new ATOM 18 N ASP A 2 11.094 -4.468 5.129 1.00 51.13 N ATOM 19 CA ASP A 2 10.897 -3.774 3.861 1.00 71.50 C ATOM 20 C ASP A 2 10.836 -4.766 2.703 1.00 13.11 C ATOM 21 O ASP A 2 11.866 -5.186 2.176 1.00 62.14 O ATOM 22 CB ASP A 2 12.023 -2.766 3.626 1.00 33.14 C ATOM 23 CG ASP A 2 11.777 -1.449 4.336 1.00 43.02 C ATOM 24 OD1 ASP A 2 12.077 -1.361 5.545 1.00 30.12 O ATOM 25 OD2 ASP A 2 11.286 -0.506 3.681 1.00 4.34 O ATOM 0 H ASP A 2 11.990 -4.948 5.212 1.00 51.13 H new ATOM 0 HA ASP A 2 9.948 -3.241 3.910 1.00 71.50 H new ATOM 0 HB2 ASP A 2 12.965 -3.191 3.971 1.00 33.14 H new ATOM 0 HB3 ASP A 2 12.128 -2.585 2.556 1.00 33.14 H new ATOM 30 N THR A 3 9.621 -5.137 2.312 1.00 34.53 N ATOM 31 CA THR A 3 9.425 -6.081 1.219 1.00 54.11 C ATOM 32 C THR A 3 7.947 -6.223 0.873 1.00 13.51 C ATOM 33 O THR A 3 7.077 -5.955 1.702 1.00 30.15 O ATOM 34 CB THR A 3 9.994 -7.469 1.566 1.00 22.40 C ATOM 35 OG1 THR A 3 9.951 -8.319 0.414 1.00 41.41 O ATOM 36 CG2 THR A 3 9.210 -8.108 2.702 1.00 14.54 C ATOM 0 H THR A 3 8.758 -4.798 2.736 1.00 34.53 H new ATOM 0 HA THR A 3 9.961 -5.682 0.358 1.00 54.11 H new ATOM 0 HB THR A 3 11.028 -7.342 1.886 1.00 22.40 H new ATOM 0 HG1 THR A 3 10.316 -9.199 0.643 1.00 41.41 H new ATOM 0 HG21 THR A 3 9.631 -9.088 2.929 1.00 14.54 H new ATOM 0 HG22 THR A 3 9.269 -7.474 3.587 1.00 14.54 H new ATOM 0 HG23 THR A 3 8.167 -8.221 2.406 1.00 14.54 H new ATOM 44 N ASP A 4 7.669 -6.645 -0.355 1.00 43.14 N ATOM 45 CA ASP A 4 6.295 -6.824 -0.810 1.00 44.14 C ATOM 46 C ASP A 4 6.215 -7.903 -1.886 1.00 3.30 C ATOM 47 O ASP A 4 5.434 -8.847 -1.775 1.00 31.32 O ATOM 48 CB ASP A 4 5.738 -5.506 -1.350 1.00 45.33 C ATOM 49 CG ASP A 4 4.509 -5.043 -0.593 1.00 62.21 C ATOM 50 OD1 ASP A 4 4.662 -4.563 0.550 1.00 52.43 O ATOM 51 OD2 ASP A 4 3.395 -5.161 -1.144 1.00 13.15 O ATOM 0 H ASP A 4 8.377 -6.870 -1.054 1.00 43.14 H new ATOM 0 HA ASP A 4 5.695 -7.141 0.043 1.00 44.14 H new ATOM 0 HB2 ASP A 4 6.509 -4.738 -1.290 1.00 45.33 H new ATOM 0 HB3 ASP A 4 5.488 -5.625 -2.404 1.00 45.33 H new ATOM 56 N SER A 5 7.028 -7.755 -2.927 1.00 41.53 N ATOM 57 CA SER A 5 7.046 -8.713 -4.026 1.00 32.53 C ATOM 58 C SER A 5 8.283 -8.519 -4.897 1.00 51.41 C ATOM 59 O SER A 5 8.303 -7.664 -5.782 1.00 53.10 O ATOM 60 CB SER A 5 5.782 -8.571 -4.876 1.00 13.14 C ATOM 61 OG SER A 5 5.395 -9.817 -5.428 1.00 22.31 O ATOM 0 H SER A 5 7.683 -6.980 -3.032 1.00 41.53 H new ATOM 0 HA SER A 5 7.078 -9.716 -3.600 1.00 32.53 H new ATOM 0 HB2 SER A 5 4.972 -8.173 -4.265 1.00 13.14 H new ATOM 0 HB3 SER A 5 5.958 -7.854 -5.678 1.00 13.14 H new ATOM 0 HG SER A 5 4.584 -9.699 -5.965 1.00 22.31 H new ATOM 67 N GLU A 6 9.313 -9.318 -4.639 1.00 20.23 N ATOM 68 CA GLU A 6 10.555 -9.233 -5.399 1.00 34.13 C ATOM 69 C GLU A 6 11.541 -10.307 -4.951 1.00 24.44 C ATOM 70 O GLU A 6 12.205 -10.937 -5.774 1.00 14.00 O ATOM 71 CB GLU A 6 11.184 -7.848 -5.237 1.00 13.31 C ATOM 72 CG GLU A 6 11.344 -7.418 -3.789 1.00 2.55 C ATOM 73 CD GLU A 6 11.821 -5.984 -3.655 1.00 61.30 C ATOM 74 OE1 GLU A 6 11.279 -5.111 -4.365 1.00 3.03 O ATOM 75 OE2 GLU A 6 12.736 -5.736 -2.842 1.00 15.11 O ATOM 0 H GLU A 6 9.312 -10.031 -3.910 1.00 20.23 H new ATOM 0 HA GLU A 6 10.320 -9.396 -6.451 1.00 34.13 H new ATOM 0 HB2 GLU A 6 12.162 -7.844 -5.719 1.00 13.31 H new ATOM 0 HB3 GLU A 6 10.568 -7.115 -5.759 1.00 13.31 H new ATOM 0 HG2 GLU A 6 10.390 -7.529 -3.273 1.00 2.55 H new ATOM 0 HG3 GLU A 6 12.053 -8.081 -3.293 1.00 2.55 H new ATOM 82 N GLU A 7 11.632 -10.510 -3.640 1.00 3.52 N ATOM 83 CA GLU A 7 12.539 -11.506 -3.082 1.00 60.24 C ATOM 84 C GLU A 7 11.975 -12.913 -3.258 1.00 62.30 C ATOM 85 O GLU A 7 12.723 -13.888 -3.327 1.00 41.02 O ATOM 86 CB GLU A 7 12.790 -11.227 -1.599 1.00 51.11 C ATOM 87 CG GLU A 7 13.992 -11.966 -1.035 1.00 41.34 C ATOM 88 CD GLU A 7 14.253 -11.631 0.420 1.00 13.23 C ATOM 89 OE1 GLU A 7 14.337 -10.428 0.746 1.00 45.03 O ATOM 90 OE2 GLU A 7 14.372 -12.571 1.234 1.00 41.43 O ATOM 0 H GLU A 7 11.089 -9.998 -2.945 1.00 3.52 H new ATOM 0 HA GLU A 7 13.484 -11.441 -3.621 1.00 60.24 H new ATOM 0 HB2 GLU A 7 12.934 -10.156 -1.459 1.00 51.11 H new ATOM 0 HB3 GLU A 7 11.903 -11.506 -1.030 1.00 51.11 H new ATOM 0 HG2 GLU A 7 13.833 -13.040 -1.134 1.00 41.34 H new ATOM 0 HG3 GLU A 7 14.875 -11.719 -1.625 1.00 41.34 H new ATOM 97 N GLU A 8 10.651 -13.010 -3.329 1.00 2.53 N ATOM 98 CA GLU A 8 9.987 -14.297 -3.495 1.00 23.14 C ATOM 99 C GLU A 8 10.336 -14.919 -4.844 1.00 22.34 C ATOM 100 O GLU A 8 10.104 -16.107 -5.070 1.00 34.23 O ATOM 101 CB GLU A 8 8.471 -14.133 -3.373 1.00 32.50 C ATOM 102 CG GLU A 8 7.801 -15.242 -2.579 1.00 73.31 C ATOM 103 CD GLU A 8 6.516 -14.789 -1.914 1.00 13.22 C ATOM 104 OE1 GLU A 8 5.647 -14.234 -2.619 1.00 42.31 O ATOM 105 OE2 GLU A 8 6.379 -14.988 -0.689 1.00 34.41 O ATOM 0 H GLU A 8 10.017 -12.213 -3.274 1.00 2.53 H new ATOM 0 HA GLU A 8 10.338 -14.963 -2.706 1.00 23.14 H new ATOM 0 HB2 GLU A 8 8.255 -13.176 -2.898 1.00 32.50 H new ATOM 0 HB3 GLU A 8 8.036 -14.099 -4.372 1.00 32.50 H new ATOM 0 HG2 GLU A 8 7.587 -16.080 -3.242 1.00 73.31 H new ATOM 0 HG3 GLU A 8 8.491 -15.606 -1.818 1.00 73.31 H new ATOM 112 N ILE A 9 10.894 -14.108 -5.736 1.00 25.32 N ATOM 113 CA ILE A 9 11.276 -14.579 -7.062 1.00 12.43 C ATOM 114 C ILE A 9 12.623 -15.292 -7.025 1.00 71.34 C ATOM 115 O ILE A 9 12.826 -16.292 -7.715 1.00 42.41 O ATOM 116 CB ILE A 9 11.349 -13.418 -8.071 1.00 44.22 C ATOM 117 CG1 ILE A 9 10.014 -12.673 -8.124 1.00 33.51 C ATOM 118 CG2 ILE A 9 11.727 -13.938 -9.450 1.00 72.31 C ATOM 119 CD1 ILE A 9 10.014 -11.498 -9.075 1.00 44.44 C ATOM 0 H ILE A 9 11.092 -13.122 -5.565 1.00 25.32 H new ATOM 0 HA ILE A 9 10.506 -15.280 -7.383 1.00 12.43 H new ATOM 0 HB ILE A 9 12.119 -12.720 -7.743 1.00 44.22 H new ATOM 0 HG12 ILE A 9 9.230 -13.370 -8.421 1.00 33.51 H new ATOM 0 HG13 ILE A 9 9.765 -12.320 -7.123 1.00 33.51 H new ATOM 0 HG21 ILE A 9 11.775 -13.106 -10.152 1.00 72.31 H new ATOM 0 HG22 ILE A 9 12.700 -14.427 -9.400 1.00 72.31 H new ATOM 0 HG23 ILE A 9 10.978 -14.654 -9.787 1.00 72.31 H new ATOM 0 HD11 ILE A 9 9.035 -11.018 -9.060 1.00 44.44 H new ATOM 0 HD12 ILE A 9 10.775 -10.781 -8.767 1.00 44.44 H new ATOM 0 HD13 ILE A 9 10.232 -11.847 -10.084 1.00 44.44 H new ATOM 131 N ARG A 10 13.540 -14.773 -6.215 1.00 74.32 N ATOM 132 CA ARG A 10 14.868 -15.361 -6.088 1.00 73.21 C ATOM 133 C ARG A 10 14.776 -16.831 -5.688 1.00 53.13 C ATOM 134 O ARG A 10 15.516 -17.670 -6.200 1.00 73.21 O ATOM 135 CB ARG A 10 15.693 -14.591 -5.055 1.00 72.33 C ATOM 136 CG ARG A 10 16.398 -13.372 -5.626 1.00 1.33 C ATOM 137 CD ARG A 10 17.634 -13.013 -4.815 1.00 54.21 C ATOM 138 NE ARG A 10 17.365 -11.951 -3.849 1.00 31.33 N ATOM 139 CZ ARG A 10 18.293 -11.425 -3.058 1.00 24.12 C ATOM 140 NH1 ARG A 10 19.545 -11.860 -3.119 1.00 14.43 N ATOM 141 NH2 ARG A 10 17.971 -10.462 -2.204 1.00 42.20 N ATOM 0 H ARG A 10 13.388 -13.947 -5.637 1.00 74.32 H new ATOM 0 HA ARG A 10 15.361 -15.296 -7.058 1.00 73.21 H new ATOM 0 HB2 ARG A 10 15.039 -14.275 -4.243 1.00 72.33 H new ATOM 0 HB3 ARG A 10 16.436 -15.261 -4.623 1.00 72.33 H new ATOM 0 HG2 ARG A 10 16.684 -13.566 -6.660 1.00 1.33 H new ATOM 0 HG3 ARG A 10 15.711 -12.526 -5.639 1.00 1.33 H new ATOM 0 HD2 ARG A 10 17.993 -13.898 -4.290 1.00 54.21 H new ATOM 0 HD3 ARG A 10 18.431 -12.697 -5.489 1.00 54.21 H new ATOM 0 HE ARG A 10 16.412 -11.594 -3.778 1.00 31.33 H new ATOM 0 HH11 ARG A 10 19.796 -12.600 -3.774 1.00 14.43 H new ATOM 0 HH12 ARG A 10 20.256 -11.454 -2.510 1.00 14.43 H new ATOM 0 HH21 ARG A 10 17.010 -10.125 -2.154 1.00 42.20 H new ATOM 0 HH22 ARG A 10 18.685 -10.059 -1.597 1.00 42.20 H new ATOM 155 N GLU A 11 13.863 -17.133 -4.770 1.00 72.24 N ATOM 156 CA GLU A 11 13.676 -18.501 -4.302 1.00 32.34 C ATOM 157 C GLU A 11 12.826 -19.302 -5.284 1.00 42.13 C ATOM 158 O GLU A 11 12.934 -20.525 -5.361 1.00 62.31 O ATOM 159 CB GLU A 11 13.017 -18.505 -2.920 1.00 65.14 C ATOM 160 CG GLU A 11 13.420 -19.689 -2.058 1.00 32.53 C ATOM 161 CD GLU A 11 12.645 -19.753 -0.756 1.00 1.43 C ATOM 162 OE1 GLU A 11 12.623 -18.737 -0.029 1.00 43.12 O ATOM 163 OE2 GLU A 11 12.061 -20.817 -0.463 1.00 42.20 O ATOM 0 H GLU A 11 13.242 -16.450 -4.336 1.00 72.24 H new ATOM 0 HA GLU A 11 14.657 -18.970 -4.231 1.00 32.34 H new ATOM 0 HB2 GLU A 11 13.276 -17.583 -2.400 1.00 65.14 H new ATOM 0 HB3 GLU A 11 11.934 -18.508 -3.043 1.00 65.14 H new ATOM 0 HG2 GLU A 11 13.261 -20.611 -2.617 1.00 32.53 H new ATOM 0 HG3 GLU A 11 14.486 -19.628 -1.839 1.00 32.53 H new ATOM 170 N ALA A 12 11.981 -18.602 -6.033 1.00 52.35 N ATOM 171 CA ALA A 12 11.114 -19.246 -7.012 1.00 54.21 C ATOM 172 C ALA A 12 11.924 -19.825 -8.167 1.00 21.24 C ATOM 173 O ALA A 12 11.606 -20.895 -8.687 1.00 13.15 O ATOM 174 CB ALA A 12 10.081 -18.258 -7.533 1.00 52.45 C ATOM 0 H ALA A 12 11.878 -17.589 -5.981 1.00 52.35 H new ATOM 0 HA ALA A 12 10.597 -20.068 -6.517 1.00 54.21 H new ATOM 0 HB1 ALA A 12 9.440 -18.753 -8.263 1.00 52.45 H new ATOM 0 HB2 ALA A 12 9.473 -17.896 -6.704 1.00 52.45 H new ATOM 0 HB3 ALA A 12 10.588 -17.417 -8.006 1.00 52.45 H new ATOM 180 N PHE A 13 12.973 -19.112 -8.564 1.00 32.03 N ATOM 181 CA PHE A 13 13.828 -19.555 -9.659 1.00 2.05 C ATOM 182 C PHE A 13 14.871 -20.554 -9.164 1.00 54.24 C ATOM 183 O PHE A 13 15.455 -21.298 -9.952 1.00 31.01 O ATOM 184 CB PHE A 13 14.522 -18.356 -10.309 1.00 20.31 C ATOM 185 CG PHE A 13 13.855 -17.890 -11.572 1.00 23.25 C ATOM 186 CD1 PHE A 13 14.141 -18.495 -12.785 1.00 52.11 C ATOM 187 CD2 PHE A 13 12.943 -16.848 -11.545 1.00 32.02 C ATOM 188 CE1 PHE A 13 13.529 -18.067 -13.948 1.00 63.35 C ATOM 189 CE2 PHE A 13 12.328 -16.416 -12.705 1.00 32.40 C ATOM 190 CZ PHE A 13 12.621 -17.028 -13.908 1.00 52.32 C ATOM 0 H PHE A 13 13.251 -18.225 -8.144 1.00 32.03 H new ATOM 0 HA PHE A 13 13.200 -20.049 -10.401 1.00 2.05 H new ATOM 0 HB2 PHE A 13 14.549 -17.532 -9.596 1.00 20.31 H new ATOM 0 HB3 PHE A 13 15.556 -18.621 -10.530 1.00 20.31 H new ATOM 0 HD1 PHE A 13 14.849 -19.309 -12.822 1.00 52.11 H new ATOM 0 HD2 PHE A 13 12.710 -16.367 -10.606 1.00 32.02 H new ATOM 0 HE1 PHE A 13 13.761 -18.545 -14.888 1.00 63.35 H new ATOM 0 HE2 PHE A 13 11.620 -15.601 -12.671 1.00 32.40 H new ATOM 0 HZ PHE A 13 12.141 -16.694 -14.816 1.00 52.32 H new ATOM 200 N ARG A 14 15.098 -20.563 -7.855 1.00 63.11 N ATOM 201 CA ARG A 14 16.071 -21.468 -7.255 1.00 61.43 C ATOM 202 C ARG A 14 15.451 -22.839 -6.997 1.00 4.30 C ATOM 203 O ARG A 14 16.108 -23.868 -7.154 1.00 30.22 O ATOM 204 CB ARG A 14 16.605 -20.883 -5.946 1.00 73.24 C ATOM 205 CG ARG A 14 17.478 -21.847 -5.160 1.00 10.13 C ATOM 206 CD ARG A 14 16.705 -22.499 -4.024 1.00 71.12 C ATOM 207 NE ARG A 14 16.953 -23.936 -3.948 1.00 33.41 N ATOM 208 CZ ARG A 14 18.076 -24.464 -3.475 1.00 31.35 C ATOM 209 NH1 ARG A 14 19.049 -23.678 -3.037 1.00 43.52 N ATOM 210 NH2 ARG A 14 18.227 -25.782 -3.437 1.00 71.14 N ATOM 0 H ARG A 14 14.622 -19.954 -7.190 1.00 63.11 H new ATOM 0 HA ARG A 14 16.898 -21.588 -7.955 1.00 61.43 H new ATOM 0 HB2 ARG A 14 17.180 -19.984 -6.167 1.00 73.24 H new ATOM 0 HB3 ARG A 14 15.763 -20.578 -5.324 1.00 73.24 H new ATOM 0 HG2 ARG A 14 17.864 -22.617 -5.828 1.00 10.13 H new ATOM 0 HG3 ARG A 14 18.339 -21.314 -4.757 1.00 10.13 H new ATOM 0 HD2 ARG A 14 16.986 -22.032 -3.080 1.00 71.12 H new ATOM 0 HD3 ARG A 14 15.638 -22.322 -4.163 1.00 71.12 H new ATOM 0 HE ARG A 14 16.224 -24.569 -4.276 1.00 33.41 H new ATOM 0 HH11 ARG A 14 18.936 -22.665 -3.063 1.00 43.52 H new ATOM 0 HH12 ARG A 14 19.910 -24.087 -2.674 1.00 43.52 H new ATOM 0 HH21 ARG A 14 17.480 -26.391 -3.771 1.00 71.14 H new ATOM 0 HH22 ARG A 14 19.090 -26.186 -3.073 1.00 71.14 H new ATOM 224 N VAL A 15 14.183 -22.843 -6.599 1.00 70.54 N ATOM 225 CA VAL A 15 13.474 -24.086 -6.320 1.00 22.52 C ATOM 226 C VAL A 15 13.164 -24.843 -7.606 1.00 75.42 C ATOM 227 O VAL A 15 13.001 -26.064 -7.597 1.00 53.33 O ATOM 228 CB VAL A 15 12.160 -23.825 -5.561 1.00 54.50 C ATOM 229 CG1 VAL A 15 11.394 -25.123 -5.354 1.00 43.33 C ATOM 230 CG2 VAL A 15 12.440 -23.143 -4.230 1.00 31.50 C ATOM 0 H VAL A 15 13.626 -22.000 -6.463 1.00 70.54 H new ATOM 0 HA VAL A 15 14.131 -24.691 -5.695 1.00 22.52 H new ATOM 0 HB VAL A 15 11.541 -23.159 -6.162 1.00 54.50 H new ATOM 0 HG11 VAL A 15 10.469 -24.918 -4.816 1.00 43.33 H new ATOM 0 HG12 VAL A 15 11.160 -25.566 -6.322 1.00 43.33 H new ATOM 0 HG13 VAL A 15 12.004 -25.817 -4.775 1.00 43.33 H new ATOM 0 HG21 VAL A 15 11.500 -22.966 -3.707 1.00 31.50 H new ATOM 0 HG22 VAL A 15 13.079 -23.782 -3.621 1.00 31.50 H new ATOM 0 HG23 VAL A 15 12.941 -22.191 -4.407 1.00 31.50 H new ATOM 240 N PHE A 16 13.083 -24.111 -8.712 1.00 62.22 N ATOM 241 CA PHE A 16 12.791 -24.713 -10.008 1.00 65.10 C ATOM 242 C PHE A 16 14.003 -25.474 -10.539 1.00 73.03 C ATOM 243 O PHE A 16 13.862 -26.456 -11.269 1.00 14.32 O ATOM 244 CB PHE A 16 12.371 -23.637 -11.011 1.00 50.11 C ATOM 245 CG PHE A 16 10.894 -23.613 -11.281 1.00 35.14 C ATOM 246 CD1 PHE A 16 9.984 -23.687 -10.238 1.00 24.13 C ATOM 247 CD2 PHE A 16 10.414 -23.517 -12.577 1.00 70.30 C ATOM 248 CE1 PHE A 16 8.624 -23.665 -10.482 1.00 61.12 C ATOM 249 CE2 PHE A 16 9.055 -23.494 -12.828 1.00 30.45 C ATOM 250 CZ PHE A 16 8.159 -23.570 -11.779 1.00 50.41 C ATOM 0 H PHE A 16 13.215 -23.100 -8.737 1.00 62.22 H new ATOM 0 HA PHE A 16 11.970 -25.418 -9.877 1.00 65.10 H new ATOM 0 HB2 PHE A 16 12.679 -22.661 -10.635 1.00 50.11 H new ATOM 0 HB3 PHE A 16 12.901 -23.800 -11.949 1.00 50.11 H new ATOM 0 HD1 PHE A 16 10.342 -23.763 -9.222 1.00 24.13 H new ATOM 0 HD2 PHE A 16 11.110 -23.459 -13.401 1.00 70.30 H new ATOM 0 HE1 PHE A 16 7.926 -23.722 -9.660 1.00 61.12 H new ATOM 0 HE2 PHE A 16 8.694 -23.417 -13.843 1.00 30.45 H new ATOM 0 HZ PHE A 16 7.097 -23.555 -11.973 1.00 50.41 H new ATOM 260 N ASP A 17 15.192 -25.013 -10.169 1.00 23.23 N ATOM 261 CA ASP A 17 16.429 -25.650 -10.607 1.00 1.43 C ATOM 262 C ASP A 17 16.919 -26.657 -9.571 1.00 14.44 C ATOM 263 O ASP A 17 17.158 -26.308 -8.414 1.00 53.13 O ATOM 264 CB ASP A 17 17.508 -24.596 -10.861 1.00 12.51 C ATOM 265 CG ASP A 17 18.681 -25.146 -11.648 1.00 51.31 C ATOM 266 OD1 ASP A 17 18.445 -25.889 -12.624 1.00 12.21 O ATOM 267 OD2 ASP A 17 19.835 -24.833 -11.289 1.00 11.32 O ATOM 0 H ASP A 17 15.326 -24.201 -9.567 1.00 23.23 H new ATOM 0 HA ASP A 17 16.225 -26.182 -11.536 1.00 1.43 H new ATOM 0 HB2 ASP A 17 17.072 -23.757 -11.403 1.00 12.51 H new ATOM 0 HB3 ASP A 17 17.864 -24.208 -9.907 1.00 12.51 H new ATOM 272 N LYS A 18 17.065 -27.908 -9.992 1.00 72.14 N ATOM 273 CA LYS A 18 17.526 -28.967 -9.103 1.00 31.05 C ATOM 274 C LYS A 18 18.615 -29.802 -9.769 1.00 12.13 C ATOM 275 O LYS A 18 18.538 -31.030 -9.797 1.00 61.33 O ATOM 276 CB LYS A 18 16.356 -29.866 -8.697 1.00 13.02 C ATOM 277 CG LYS A 18 15.278 -29.143 -7.908 1.00 3.35 C ATOM 278 CD LYS A 18 14.392 -30.118 -7.151 1.00 54.23 C ATOM 279 CE LYS A 18 14.853 -30.289 -5.712 1.00 73.40 C ATOM 280 NZ LYS A 18 15.195 -31.706 -5.405 1.00 3.45 N ATOM 0 H LYS A 18 16.870 -28.214 -10.945 1.00 72.14 H new ATOM 0 HA LYS A 18 17.945 -28.501 -8.211 1.00 31.05 H new ATOM 0 HB2 LYS A 18 15.911 -30.296 -9.594 1.00 13.02 H new ATOM 0 HB3 LYS A 18 16.736 -30.696 -8.101 1.00 13.02 H new ATOM 0 HG2 LYS A 18 15.742 -28.451 -7.205 1.00 3.35 H new ATOM 0 HG3 LYS A 18 14.668 -28.547 -8.586 1.00 3.35 H new ATOM 0 HD2 LYS A 18 13.362 -29.761 -7.164 1.00 54.23 H new ATOM 0 HD3 LYS A 18 14.401 -31.085 -7.654 1.00 54.23 H new ATOM 0 HE2 LYS A 18 15.723 -29.658 -5.532 1.00 73.40 H new ATOM 0 HE3 LYS A 18 14.068 -29.950 -5.036 1.00 73.40 H new ATOM 0 HZ1 LYS A 18 15.505 -31.782 -4.415 1.00 3.45 H new ATOM 0 HZ2 LYS A 18 14.358 -32.305 -5.553 1.00 3.45 H new ATOM 0 HZ3 LYS A 18 15.962 -32.022 -6.033 1.00 3.45 H new ATOM 294 N ASP A 19 19.628 -29.128 -10.302 1.00 11.25 N ATOM 295 CA ASP A 19 20.734 -29.808 -10.965 1.00 41.11 C ATOM 296 C ASP A 19 21.774 -28.805 -11.455 1.00 13.43 C ATOM 297 O ASP A 19 22.976 -29.018 -11.305 1.00 70.10 O ATOM 298 CB ASP A 19 20.218 -30.640 -12.140 1.00 31.52 C ATOM 299 CG ASP A 19 20.260 -32.129 -11.857 1.00 34.33 C ATOM 300 OD1 ASP A 19 21.374 -32.689 -11.791 1.00 34.32 O ATOM 301 OD2 ASP A 19 19.178 -32.735 -11.702 1.00 1.31 O ATOM 0 H ASP A 19 19.706 -28.111 -10.288 1.00 11.25 H new ATOM 0 HA ASP A 19 21.207 -30.470 -10.240 1.00 41.11 H new ATOM 0 HB2 ASP A 19 19.194 -30.345 -12.368 1.00 31.52 H new ATOM 0 HB3 ASP A 19 20.817 -30.424 -13.025 1.00 31.52 H new ATOM 306 N GLY A 20 21.301 -27.709 -12.042 1.00 22.11 N ATOM 307 CA GLY A 20 22.203 -26.690 -12.546 1.00 10.22 C ATOM 308 C GLY A 20 22.849 -25.887 -11.434 1.00 45.04 C ATOM 309 O GLY A 20 22.919 -26.339 -10.292 1.00 75.24 O ATOM 0 H GLY A 20 20.310 -27.509 -12.177 1.00 22.11 H new ATOM 0 HA2 GLY A 20 22.980 -27.162 -13.148 1.00 10.22 H new ATOM 0 HA3 GLY A 20 21.654 -26.017 -13.205 1.00 10.22 H new ATOM 313 N ASN A 21 23.326 -24.692 -11.770 1.00 21.44 N ATOM 314 CA ASN A 21 23.973 -23.825 -10.791 1.00 73.52 C ATOM 315 C ASN A 21 23.441 -22.399 -10.892 1.00 74.24 C ATOM 316 O ASN A 21 24.198 -21.435 -10.799 1.00 3.43 O ATOM 317 CB ASN A 21 25.489 -23.832 -10.997 1.00 11.24 C ATOM 318 CG ASN A 21 26.015 -25.202 -11.380 1.00 13.34 C ATOM 319 OD1 ASN A 21 26.434 -25.980 -10.523 1.00 4.33 O ATOM 320 ND2 ASN A 21 25.994 -25.503 -12.673 1.00 3.31 N ATOM 0 H ASN A 21 23.277 -24.303 -12.711 1.00 21.44 H new ATOM 0 HA ASN A 21 23.746 -24.208 -9.796 1.00 73.52 H new ATOM 0 HB2 ASN A 21 25.750 -23.115 -11.775 1.00 11.24 H new ATOM 0 HB3 ASN A 21 25.979 -23.501 -10.081 1.00 11.24 H new ATOM 0 HD21 ASN A 21 26.334 -26.411 -12.991 1.00 3.31 H new ATOM 0 HD22 ASN A 21 25.638 -24.827 -13.348 1.00 3.31 H new ATOM 327 N GLY A 22 22.131 -22.274 -11.084 1.00 33.10 N ATOM 328 CA GLY A 22 21.519 -20.963 -11.194 1.00 41.32 C ATOM 329 C GLY A 22 21.199 -20.591 -12.628 1.00 43.25 C ATOM 330 O GLY A 22 21.297 -19.425 -13.011 1.00 43.34 O ATOM 0 H GLY A 22 21.483 -23.058 -11.165 1.00 33.10 H new ATOM 0 HA2 GLY A 22 20.603 -20.942 -10.604 1.00 41.32 H new ATOM 0 HA3 GLY A 22 22.189 -20.216 -10.769 1.00 41.32 H new ATOM 334 N TYR A 23 20.818 -21.584 -13.424 1.00 55.51 N ATOM 335 CA TYR A 23 20.486 -21.355 -14.826 1.00 24.53 C ATOM 336 C TYR A 23 19.421 -22.339 -15.301 1.00 0.23 C ATOM 337 O TYR A 23 19.608 -23.554 -15.234 1.00 23.03 O ATOM 338 CB TYR A 23 21.739 -21.484 -15.695 1.00 14.13 C ATOM 339 CG TYR A 23 22.895 -20.634 -15.220 1.00 1.44 C ATOM 340 CD1 TYR A 23 23.817 -21.128 -14.306 1.00 3.04 C ATOM 341 CD2 TYR A 23 23.066 -19.336 -15.686 1.00 1.21 C ATOM 342 CE1 TYR A 23 24.875 -20.354 -13.868 1.00 72.34 C ATOM 343 CE2 TYR A 23 24.122 -18.555 -15.255 1.00 74.43 C ATOM 344 CZ TYR A 23 25.023 -19.069 -14.346 1.00 51.12 C ATOM 345 OH TYR A 23 26.076 -18.295 -13.914 1.00 71.52 O ATOM 0 H TYR A 23 20.731 -22.555 -13.123 1.00 55.51 H new ATOM 0 HA TYR A 23 20.089 -20.344 -14.919 1.00 24.53 H new ATOM 0 HB2 TYR A 23 22.051 -22.528 -15.715 1.00 14.13 H new ATOM 0 HB3 TYR A 23 21.491 -21.206 -16.719 1.00 14.13 H new ATOM 0 HD1 TYR A 23 23.705 -22.135 -13.931 1.00 3.04 H new ATOM 0 HD2 TYR A 23 22.362 -18.930 -16.397 1.00 1.21 H new ATOM 0 HE1 TYR A 23 25.582 -20.753 -13.156 1.00 72.34 H new ATOM 0 HE2 TYR A 23 24.241 -17.548 -15.628 1.00 74.43 H new ATOM 0 HH TYR A 23 26.036 -17.417 -14.348 1.00 71.52 H new ATOM 355 N ILE A 24 18.304 -21.804 -15.781 1.00 53.21 N ATOM 356 CA ILE A 24 17.209 -22.633 -16.269 1.00 53.22 C ATOM 357 C ILE A 24 17.116 -22.581 -17.790 1.00 62.45 C ATOM 358 O ILE A 24 17.825 -21.813 -18.440 1.00 42.11 O ATOM 359 CB ILE A 24 15.860 -22.195 -15.669 1.00 52.50 C ATOM 360 CG1 ILE A 24 15.628 -20.702 -15.915 1.00 24.15 C ATOM 361 CG2 ILE A 24 15.817 -22.505 -14.180 1.00 53.13 C ATOM 362 CD1 ILE A 24 14.325 -20.401 -16.620 1.00 14.23 C ATOM 0 H ILE A 24 18.133 -20.800 -15.842 1.00 53.21 H new ATOM 0 HA ILE A 24 17.423 -23.655 -15.955 1.00 53.22 H new ATOM 0 HB ILE A 24 15.063 -22.753 -16.160 1.00 52.50 H new ATOM 0 HG12 ILE A 24 15.644 -20.178 -14.959 1.00 24.15 H new ATOM 0 HG13 ILE A 24 16.453 -20.308 -16.509 1.00 24.15 H new ATOM 0 HG21 ILE A 24 14.857 -22.190 -13.770 1.00 53.13 H new ATOM 0 HG22 ILE A 24 15.942 -23.577 -14.028 1.00 53.13 H new ATOM 0 HG23 ILE A 24 16.621 -21.971 -13.674 1.00 53.13 H new ATOM 0 HD11 ILE A 24 14.228 -19.325 -16.761 1.00 14.23 H new ATOM 0 HD12 ILE A 24 14.314 -20.896 -17.591 1.00 14.23 H new ATOM 0 HD13 ILE A 24 13.493 -20.765 -16.017 1.00 14.23 H new ATOM 374 N SER A 25 16.236 -23.404 -18.352 1.00 40.35 N ATOM 375 CA SER A 25 16.051 -23.454 -19.798 1.00 44.31 C ATOM 376 C SER A 25 14.916 -22.532 -20.233 1.00 33.51 C ATOM 377 O SER A 25 14.146 -22.045 -19.406 1.00 0.03 O ATOM 378 CB SER A 25 15.761 -24.887 -20.247 1.00 70.11 C ATOM 379 OG SER A 25 16.850 -25.423 -20.978 1.00 62.12 O ATOM 0 H SER A 25 15.640 -24.045 -17.828 1.00 40.35 H new ATOM 0 HA SER A 25 16.973 -23.113 -20.269 1.00 44.31 H new ATOM 0 HB2 SER A 25 15.562 -25.511 -19.376 1.00 70.11 H new ATOM 0 HB3 SER A 25 14.862 -24.903 -20.863 1.00 70.11 H new ATOM 0 HG SER A 25 16.640 -26.340 -21.252 1.00 62.12 H new ATOM 385 N ALA A 26 14.818 -22.299 -21.538 1.00 3.14 N ATOM 386 CA ALA A 26 13.776 -21.438 -22.084 1.00 24.31 C ATOM 387 C ALA A 26 12.411 -21.796 -21.507 1.00 52.21 C ATOM 388 O ALA A 26 11.644 -20.918 -21.112 1.00 42.23 O ATOM 389 CB ALA A 26 13.753 -21.537 -23.602 1.00 55.10 C ATOM 0 H ALA A 26 15.447 -22.694 -22.236 1.00 3.14 H new ATOM 0 HA ALA A 26 14.002 -20.410 -21.801 1.00 24.31 H new ATOM 0 HB1 ALA A 26 12.970 -20.889 -23.997 1.00 55.10 H new ATOM 0 HB2 ALA A 26 14.718 -21.225 -24.002 1.00 55.10 H new ATOM 0 HB3 ALA A 26 13.554 -22.567 -23.896 1.00 55.10 H new ATOM 395 N ALA A 27 12.113 -23.090 -21.462 1.00 71.23 N ATOM 396 CA ALA A 27 10.840 -23.563 -20.933 1.00 21.35 C ATOM 397 C ALA A 27 10.539 -22.928 -19.579 1.00 73.42 C ATOM 398 O ALA A 27 9.540 -22.227 -19.421 1.00 15.23 O ATOM 399 CB ALA A 27 10.848 -25.080 -20.816 1.00 21.30 C ATOM 0 H ALA A 27 12.736 -23.830 -21.786 1.00 71.23 H new ATOM 0 HA ALA A 27 10.053 -23.267 -21.627 1.00 21.35 H new ATOM 0 HB1 ALA A 27 9.891 -25.419 -20.420 1.00 21.30 H new ATOM 0 HB2 ALA A 27 11.010 -25.520 -21.800 1.00 21.30 H new ATOM 0 HB3 ALA A 27 11.649 -25.389 -20.144 1.00 21.30 H new ATOM 405 N ASP A 28 11.408 -23.180 -18.607 1.00 12.35 N ATOM 406 CA ASP A 28 11.235 -22.632 -17.266 1.00 74.11 C ATOM 407 C ASP A 28 11.108 -21.113 -17.312 1.00 1.40 C ATOM 408 O ASP A 28 10.444 -20.508 -16.468 1.00 63.34 O ATOM 409 CB ASP A 28 12.410 -23.032 -16.373 1.00 2.30 C ATOM 410 CG ASP A 28 12.171 -24.345 -15.655 1.00 65.40 C ATOM 411 OD1 ASP A 28 10.998 -24.656 -15.362 1.00 62.42 O ATOM 412 OD2 ASP A 28 13.158 -25.062 -15.385 1.00 61.42 O ATOM 0 H ASP A 28 12.239 -23.760 -18.722 1.00 12.35 H new ATOM 0 HA ASP A 28 10.316 -23.042 -16.848 1.00 74.11 H new ATOM 0 HB2 ASP A 28 13.312 -23.112 -16.979 1.00 2.30 H new ATOM 0 HB3 ASP A 28 12.588 -22.247 -15.638 1.00 2.30 H new ATOM 417 N LEU A 29 11.749 -20.500 -18.301 1.00 64.42 N ATOM 418 CA LEU A 29 11.710 -19.050 -18.457 1.00 32.40 C ATOM 419 C LEU A 29 10.323 -18.587 -18.892 1.00 20.15 C ATOM 420 O LEU A 29 9.689 -17.777 -18.216 1.00 15.20 O ATOM 421 CB LEU A 29 12.754 -18.599 -19.479 1.00 44.12 C ATOM 422 CG LEU A 29 13.129 -17.117 -19.446 1.00 54.44 C ATOM 423 CD1 LEU A 29 13.862 -16.780 -18.158 1.00 5.32 C ATOM 424 CD2 LEU A 29 13.977 -16.754 -20.656 1.00 64.02 C ATOM 0 H LEU A 29 12.302 -20.985 -19.007 1.00 64.42 H new ATOM 0 HA LEU A 29 11.938 -18.599 -17.491 1.00 32.40 H new ATOM 0 HB2 LEU A 29 13.660 -19.186 -19.326 1.00 44.12 H new ATOM 0 HB3 LEU A 29 12.384 -18.837 -20.476 1.00 44.12 H new ATOM 0 HG LEU A 29 12.212 -16.529 -19.481 1.00 54.44 H new ATOM 0 HD11 LEU A 29 14.121 -15.721 -18.153 1.00 5.32 H new ATOM 0 HD12 LEU A 29 13.220 -17.001 -17.305 1.00 5.32 H new ATOM 0 HD13 LEU A 29 14.772 -17.376 -18.091 1.00 5.32 H new ATOM 0 HD21 LEU A 29 14.234 -15.696 -20.616 1.00 64.02 H new ATOM 0 HD22 LEU A 29 14.890 -17.350 -20.653 1.00 64.02 H new ATOM 0 HD23 LEU A 29 13.415 -16.956 -21.568 1.00 64.02 H new ATOM 436 N ARG A 30 9.858 -19.108 -20.022 1.00 71.50 N ATOM 437 CA ARG A 30 8.546 -18.749 -20.546 1.00 72.11 C ATOM 438 C ARG A 30 7.455 -19.021 -19.514 1.00 61.12 C ATOM 439 O ARG A 30 6.431 -18.337 -19.482 1.00 64.33 O ATOM 440 CB ARG A 30 8.254 -19.529 -21.829 1.00 64.04 C ATOM 441 CG ARG A 30 7.050 -19.009 -22.598 1.00 24.41 C ATOM 442 CD ARG A 30 6.544 -20.035 -23.600 1.00 32.34 C ATOM 443 NE ARG A 30 7.441 -20.173 -24.743 1.00 65.13 N ATOM 444 CZ ARG A 30 7.472 -19.320 -25.761 1.00 11.43 C ATOM 445 NH1 ARG A 30 6.659 -18.272 -25.776 1.00 61.23 N ATOM 446 NH2 ARG A 30 8.317 -19.513 -26.765 1.00 41.33 N ATOM 0 H ARG A 30 10.370 -19.780 -20.593 1.00 71.50 H new ATOM 0 HA ARG A 30 8.552 -17.682 -20.771 1.00 72.11 H new ATOM 0 HB2 ARG A 30 9.131 -19.491 -22.475 1.00 64.04 H new ATOM 0 HB3 ARG A 30 8.089 -20.577 -21.578 1.00 64.04 H new ATOM 0 HG2 ARG A 30 6.252 -18.756 -21.900 1.00 24.41 H new ATOM 0 HG3 ARG A 30 7.319 -18.091 -23.120 1.00 24.41 H new ATOM 0 HD2 ARG A 30 6.435 -21.001 -23.106 1.00 32.34 H new ATOM 0 HD3 ARG A 30 5.554 -19.742 -23.950 1.00 32.34 H new ATOM 0 HE ARG A 30 8.079 -20.968 -24.761 1.00 65.13 H new ATOM 0 HH11 ARG A 30 6.009 -18.120 -25.005 1.00 61.23 H new ATOM 0 HH12 ARG A 30 6.684 -17.618 -26.558 1.00 61.23 H new ATOM 0 HH21 ARG A 30 8.944 -20.317 -26.756 1.00 41.33 H new ATOM 0 HH22 ARG A 30 8.340 -18.857 -27.546 1.00 41.33 H new ATOM 460 N HIS A 31 7.681 -20.024 -18.672 1.00 23.40 N ATOM 461 CA HIS A 31 6.718 -20.387 -17.639 1.00 11.05 C ATOM 462 C HIS A 31 6.616 -19.291 -16.582 1.00 42.00 C ATOM 463 O HIS A 31 5.559 -18.687 -16.399 1.00 43.33 O ATOM 464 CB HIS A 31 7.116 -21.709 -16.982 1.00 30.11 C ATOM 465 CG HIS A 31 6.499 -22.910 -17.631 1.00 1.23 C ATOM 466 ND1 HIS A 31 5.160 -22.989 -17.949 1.00 14.44 N ATOM 467 CD2 HIS A 31 7.047 -24.084 -18.023 1.00 40.42 C ATOM 468 CE1 HIS A 31 4.910 -24.160 -18.507 1.00 10.42 C ATOM 469 NE2 HIS A 31 6.039 -24.843 -18.564 1.00 51.12 N ATOM 0 H HIS A 31 8.523 -20.600 -18.685 1.00 23.40 H new ATOM 0 HA HIS A 31 5.743 -20.504 -18.112 1.00 11.05 H new ATOM 0 HB2 HIS A 31 8.201 -21.808 -17.011 1.00 30.11 H new ATOM 0 HB3 HIS A 31 6.826 -21.685 -15.931 1.00 30.11 H new ATOM 0 HD2 HIS A 31 8.084 -24.370 -17.928 1.00 40.42 H new ATOM 0 HE1 HIS A 31 3.947 -24.501 -18.857 1.00 10.42 H new ATOM 0 HE2 HIS A 31 6.145 -25.782 -18.948 1.00 51.12 H new ATOM 477 N VAL A 32 7.722 -19.040 -15.888 1.00 71.01 N ATOM 478 CA VAL A 32 7.757 -18.017 -14.850 1.00 43.20 C ATOM 479 C VAL A 32 7.228 -16.686 -15.372 1.00 44.32 C ATOM 480 O VAL A 32 6.546 -15.954 -14.656 1.00 41.40 O ATOM 481 CB VAL A 32 9.186 -17.813 -14.311 1.00 72.31 C ATOM 482 CG1 VAL A 32 9.182 -16.839 -13.143 1.00 42.11 C ATOM 483 CG2 VAL A 32 9.796 -19.146 -13.903 1.00 15.24 C ATOM 0 H VAL A 32 8.605 -19.531 -16.026 1.00 71.01 H new ATOM 0 HA VAL A 32 7.117 -18.366 -14.040 1.00 43.20 H new ATOM 0 HB VAL A 32 9.799 -17.387 -15.106 1.00 72.31 H new ATOM 0 HG11 VAL A 32 10.200 -16.707 -12.776 1.00 42.11 H new ATOM 0 HG12 VAL A 32 8.788 -15.878 -13.472 1.00 42.11 H new ATOM 0 HG13 VAL A 32 8.555 -17.233 -12.343 1.00 42.11 H new ATOM 0 HG21 VAL A 32 10.805 -18.984 -13.525 1.00 15.24 H new ATOM 0 HG22 VAL A 32 9.185 -19.602 -13.124 1.00 15.24 H new ATOM 0 HG23 VAL A 32 9.835 -19.808 -14.768 1.00 15.24 H new ATOM 493 N MET A 33 7.548 -16.379 -16.625 1.00 52.12 N ATOM 494 CA MET A 33 7.103 -15.136 -17.244 1.00 51.23 C ATOM 495 C MET A 33 5.585 -15.115 -17.392 1.00 51.11 C ATOM 496 O MET A 33 4.912 -14.225 -16.872 1.00 12.53 O ATOM 497 CB MET A 33 7.763 -14.958 -18.613 1.00 72.11 C ATOM 498 CG MET A 33 9.267 -14.749 -18.540 1.00 54.03 C ATOM 499 SD MET A 33 10.064 -14.875 -20.152 1.00 64.34 S ATOM 500 CE MET A 33 11.532 -13.885 -19.882 1.00 62.13 C ATOM 0 H MET A 33 8.113 -16.974 -17.231 1.00 52.12 H new ATOM 0 HA MET A 33 7.399 -14.311 -16.596 1.00 51.23 H new ATOM 0 HB2 MET A 33 7.556 -15.836 -19.224 1.00 72.11 H new ATOM 0 HB3 MET A 33 7.310 -14.105 -19.117 1.00 72.11 H new ATOM 0 HG2 MET A 33 9.473 -13.768 -18.113 1.00 54.03 H new ATOM 0 HG3 MET A 33 9.700 -15.488 -17.866 1.00 54.03 H new ATOM 0 HE1 MET A 33 11.482 -12.985 -20.495 1.00 62.13 H new ATOM 0 HE2 MET A 33 11.594 -13.605 -18.830 1.00 62.13 H new ATOM 0 HE3 MET A 33 12.415 -14.462 -20.156 1.00 62.13 H new ATOM 510 N THR A 34 5.050 -16.101 -18.105 1.00 64.35 N ATOM 511 CA THR A 34 3.612 -16.195 -18.323 1.00 23.12 C ATOM 512 C THR A 34 2.865 -16.337 -17.002 1.00 13.10 C ATOM 513 O THR A 34 1.684 -16.006 -16.908 1.00 13.31 O ATOM 514 CB THR A 34 3.258 -17.388 -19.231 1.00 0.21 C ATOM 515 OG1 THR A 34 4.115 -17.402 -20.378 1.00 53.42 O ATOM 516 CG2 THR A 34 1.805 -17.315 -19.677 1.00 65.41 C ATOM 0 H THR A 34 5.592 -16.847 -18.542 1.00 64.35 H new ATOM 0 HA THR A 34 3.305 -15.271 -18.814 1.00 23.12 H new ATOM 0 HB THR A 34 3.401 -18.306 -18.661 1.00 0.21 H new ATOM 0 HG1 THR A 34 4.928 -17.910 -20.173 1.00 53.42 H new ATOM 0 HG21 THR A 34 1.578 -18.167 -20.317 1.00 65.41 H new ATOM 0 HG22 THR A 34 1.155 -17.334 -18.803 1.00 65.41 H new ATOM 0 HG23 THR A 34 1.641 -16.391 -20.231 1.00 65.41 H new ATOM 524 N ASN A 35 3.561 -16.831 -15.983 1.00 40.23 N ATOM 525 CA ASN A 35 2.962 -17.016 -14.667 1.00 20.25 C ATOM 526 C ASN A 35 2.899 -15.695 -13.907 1.00 3.25 C ATOM 527 O ASN A 35 1.817 -15.173 -13.635 1.00 1.21 O ATOM 528 CB ASN A 35 3.759 -18.044 -13.861 1.00 4.44 C ATOM 529 CG ASN A 35 3.270 -19.461 -14.086 1.00 60.20 C ATOM 530 OD1 ASN A 35 2.462 -19.962 -13.159 1.00 11.23 O flip ATOM 531 ND2 ASN A 35 3.615 -20.098 -15.082 1.00 75.23 N flip ATOM 0 H ASN A 35 4.540 -17.110 -16.044 1.00 40.23 H new ATOM 0 HA ASN A 35 1.945 -17.383 -14.807 1.00 20.25 H new ATOM 0 HB2 ASN A 35 4.812 -17.978 -14.134 1.00 4.44 H new ATOM 0 HB3 ASN A 35 3.689 -17.803 -12.800 1.00 4.44 H new ATOM 0 HD21 ASN A 35 4.238 -19.673 -15.769 1.00 75.23 H new ATOM 0 HD22 ASN A 35 3.278 -21.051 -15.220 1.00 75.23 H new ATOM 538 N LEU A 36 4.066 -15.158 -13.566 1.00 61.54 N ATOM 539 CA LEU A 36 4.145 -13.897 -12.838 1.00 50.00 C ATOM 540 C LEU A 36 3.359 -12.804 -13.555 1.00 43.14 C ATOM 541 O LEU A 36 2.928 -12.981 -14.694 1.00 44.51 O ATOM 542 CB LEU A 36 5.605 -13.469 -12.676 1.00 73.23 C ATOM 543 CG LEU A 36 6.216 -13.678 -11.290 1.00 54.41 C ATOM 544 CD1 LEU A 36 7.201 -14.836 -11.310 1.00 34.04 C ATOM 545 CD2 LEU A 36 6.897 -12.404 -10.810 1.00 74.05 C ATOM 0 H LEU A 36 4.970 -15.577 -13.782 1.00 61.54 H new ATOM 0 HA LEU A 36 3.706 -14.047 -11.852 1.00 50.00 H new ATOM 0 HB2 LEU A 36 6.206 -14.016 -13.402 1.00 73.23 H new ATOM 0 HB3 LEU A 36 5.683 -12.412 -12.930 1.00 73.23 H new ATOM 0 HG LEU A 36 5.414 -13.922 -10.593 1.00 54.41 H new ATOM 0 HD11 LEU A 36 7.626 -14.970 -10.315 1.00 34.04 H new ATOM 0 HD12 LEU A 36 6.684 -15.748 -11.610 1.00 34.04 H new ATOM 0 HD13 LEU A 36 8.000 -14.622 -12.020 1.00 34.04 H new ATOM 0 HD21 LEU A 36 7.326 -12.571 -9.822 1.00 74.05 H new ATOM 0 HD22 LEU A 36 7.688 -12.129 -11.508 1.00 74.05 H new ATOM 0 HD23 LEU A 36 6.165 -11.598 -10.756 1.00 74.05 H new ATOM 557 N GLY A 37 3.178 -11.672 -12.881 1.00 65.30 N ATOM 558 CA GLY A 37 2.447 -10.566 -13.470 1.00 71.35 C ATOM 559 C GLY A 37 3.059 -10.096 -14.775 1.00 2.42 C ATOM 560 O GLY A 37 4.127 -9.484 -14.781 1.00 30.21 O ATOM 0 H GLY A 37 3.525 -11.502 -11.937 1.00 65.30 H new ATOM 0 HA2 GLY A 37 1.415 -10.869 -13.645 1.00 71.35 H new ATOM 0 HA3 GLY A 37 2.421 -9.735 -12.765 1.00 71.35 H new ATOM 564 N GLU A 38 2.382 -10.383 -15.882 1.00 42.33 N ATOM 565 CA GLU A 38 2.869 -9.986 -17.199 1.00 34.35 C ATOM 566 C GLU A 38 1.829 -10.284 -18.275 1.00 62.52 C ATOM 567 O GLU A 38 1.785 -11.386 -18.824 1.00 51.31 O ATOM 568 CB GLU A 38 4.177 -10.711 -17.523 1.00 11.43 C ATOM 569 CG GLU A 38 5.395 -9.803 -17.506 1.00 24.02 C ATOM 570 CD GLU A 38 6.575 -10.424 -16.783 1.00 41.40 C ATOM 571 OE1 GLU A 38 6.447 -10.711 -15.575 1.00 1.34 O ATOM 572 OE2 GLU A 38 7.627 -10.622 -17.427 1.00 33.42 O ATOM 0 H GLU A 38 1.496 -10.888 -15.894 1.00 42.33 H new ATOM 0 HA GLU A 38 3.052 -8.912 -17.183 1.00 34.35 H new ATOM 0 HB2 GLU A 38 4.324 -11.516 -16.803 1.00 11.43 H new ATOM 0 HB3 GLU A 38 4.093 -11.174 -18.506 1.00 11.43 H new ATOM 0 HG2 GLU A 38 5.684 -9.569 -18.531 1.00 24.02 H new ATOM 0 HG3 GLU A 38 5.134 -8.860 -17.025 1.00 24.02 H new ATOM 579 N LYS A 39 0.993 -9.295 -18.572 1.00 63.33 N ATOM 580 CA LYS A 39 -0.046 -9.449 -19.583 1.00 52.21 C ATOM 581 C LYS A 39 0.542 -9.356 -20.987 1.00 43.02 C ATOM 582 O LYS A 39 0.442 -8.320 -21.646 1.00 43.01 O ATOM 583 CB LYS A 39 -1.127 -8.380 -19.400 1.00 25.53 C ATOM 584 CG LYS A 39 -1.868 -8.486 -18.078 1.00 73.04 C ATOM 585 CD LYS A 39 -3.373 -8.411 -18.276 1.00 60.11 C ATOM 586 CE LYS A 39 -4.034 -7.559 -17.204 1.00 33.14 C ATOM 587 NZ LYS A 39 -5.462 -7.278 -17.520 1.00 70.53 N ATOM 0 H LYS A 39 1.015 -8.378 -18.127 1.00 63.33 H new ATOM 0 HA LYS A 39 -0.493 -10.435 -19.460 1.00 52.21 H new ATOM 0 HB2 LYS A 39 -0.667 -7.394 -19.472 1.00 25.53 H new ATOM 0 HB3 LYS A 39 -1.845 -8.457 -20.217 1.00 25.53 H new ATOM 0 HG2 LYS A 39 -1.611 -9.426 -17.590 1.00 73.04 H new ATOM 0 HG3 LYS A 39 -1.547 -7.683 -17.414 1.00 73.04 H new ATOM 0 HD2 LYS A 39 -3.591 -7.994 -19.259 1.00 60.11 H new ATOM 0 HD3 LYS A 39 -3.794 -9.416 -18.255 1.00 60.11 H new ATOM 0 HE2 LYS A 39 -3.968 -8.069 -16.243 1.00 33.14 H new ATOM 0 HE3 LYS A 39 -3.493 -6.618 -17.103 1.00 33.14 H new ATOM 0 HZ1 LYS A 39 -5.876 -6.695 -16.765 1.00 70.53 H new ATOM 0 HZ2 LYS A 39 -5.524 -6.768 -18.425 1.00 70.53 H new ATOM 0 HZ3 LYS A 39 -5.985 -8.174 -17.591 1.00 70.53 H new ATOM 601 N LEU A 40 1.154 -10.444 -21.440 1.00 63.43 N ATOM 602 CA LEU A 40 1.758 -10.486 -22.768 1.00 33.32 C ATOM 603 C LEU A 40 1.430 -11.798 -23.474 1.00 25.34 C ATOM 604 O LEU A 40 1.302 -12.844 -22.836 1.00 71.22 O ATOM 605 CB LEU A 40 3.274 -10.313 -22.666 1.00 62.20 C ATOM 606 CG LEU A 40 3.761 -8.968 -22.126 1.00 24.20 C ATOM 607 CD1 LEU A 40 5.266 -8.994 -21.907 1.00 62.33 C ATOM 608 CD2 LEU A 40 3.378 -7.842 -23.075 1.00 10.02 C ATOM 0 H LEU A 40 1.245 -11.309 -20.908 1.00 63.43 H new ATOM 0 HA LEU A 40 1.344 -9.666 -23.355 1.00 33.32 H new ATOM 0 HB2 LEU A 40 3.667 -11.103 -22.026 1.00 62.20 H new ATOM 0 HB3 LEU A 40 3.704 -10.461 -23.657 1.00 62.20 H new ATOM 0 HG LEU A 40 3.278 -8.787 -21.166 1.00 24.20 H new ATOM 0 HD11 LEU A 40 5.594 -8.028 -21.523 1.00 62.33 H new ATOM 0 HD12 LEU A 40 5.516 -9.775 -21.188 1.00 62.33 H new ATOM 0 HD13 LEU A 40 5.768 -9.198 -22.853 1.00 62.33 H new ATOM 0 HD21 LEU A 40 3.733 -6.892 -22.675 1.00 10.02 H new ATOM 0 HD22 LEU A 40 3.833 -8.017 -24.050 1.00 10.02 H new ATOM 0 HD23 LEU A 40 2.294 -7.809 -23.181 1.00 10.02 H new ATOM 620 N THR A 41 1.299 -11.737 -24.795 1.00 54.31 N ATOM 621 CA THR A 41 0.988 -12.919 -25.588 1.00 73.31 C ATOM 622 C THR A 41 2.250 -13.709 -25.915 1.00 73.33 C ATOM 623 O THR A 41 3.364 -13.245 -25.675 1.00 2.40 O ATOM 624 CB THR A 41 0.276 -12.544 -26.901 1.00 51.25 C ATOM 625 OG1 THR A 41 1.208 -11.950 -27.812 1.00 23.22 O ATOM 626 CG2 THR A 41 -0.869 -11.578 -26.639 1.00 55.41 C ATOM 0 H THR A 41 1.404 -10.880 -25.339 1.00 54.31 H new ATOM 0 HA THR A 41 0.321 -13.537 -24.986 1.00 73.31 H new ATOM 0 HB THR A 41 -0.131 -13.455 -27.340 1.00 51.25 H new ATOM 0 HG1 THR A 41 0.748 -11.716 -28.645 1.00 23.22 H new ATOM 0 HG21 THR A 41 -1.357 -11.328 -27.581 1.00 55.41 H new ATOM 0 HG22 THR A 41 -1.592 -12.044 -25.969 1.00 55.41 H new ATOM 0 HG23 THR A 41 -0.480 -10.669 -26.179 1.00 55.41 H new ATOM 634 N ASP A 42 2.068 -14.905 -26.465 1.00 53.21 N ATOM 635 CA ASP A 42 3.193 -15.759 -26.827 1.00 74.13 C ATOM 636 C ASP A 42 4.177 -15.012 -27.721 1.00 40.53 C ATOM 637 O ASP A 42 5.381 -15.261 -27.678 1.00 41.04 O ATOM 638 CB ASP A 42 2.696 -17.019 -27.537 1.00 74.51 C ATOM 639 CG ASP A 42 1.913 -17.933 -26.615 1.00 13.14 C ATOM 640 OD1 ASP A 42 1.338 -17.428 -25.628 1.00 52.31 O ATOM 641 OD2 ASP A 42 1.876 -19.153 -26.879 1.00 34.14 O ATOM 0 H ASP A 42 1.152 -15.305 -26.670 1.00 53.21 H new ATOM 0 HA ASP A 42 3.708 -16.046 -25.911 1.00 74.13 H new ATOM 0 HB2 ASP A 42 2.067 -16.733 -28.380 1.00 74.51 H new ATOM 0 HB3 ASP A 42 3.548 -17.563 -27.945 1.00 74.51 H new ATOM 646 N GLU A 43 3.655 -14.095 -28.531 1.00 23.03 N ATOM 647 CA GLU A 43 4.489 -13.313 -29.436 1.00 71.02 C ATOM 648 C GLU A 43 5.298 -12.272 -28.668 1.00 41.11 C ATOM 649 O GLU A 43 6.496 -12.110 -28.897 1.00 62.22 O ATOM 650 CB GLU A 43 3.624 -12.624 -30.494 1.00 64.21 C ATOM 651 CG GLU A 43 3.098 -13.570 -31.560 1.00 35.30 C ATOM 652 CD GLU A 43 1.903 -13.004 -32.304 1.00 23.43 C ATOM 653 OE1 GLU A 43 0.816 -12.910 -31.697 1.00 21.10 O ATOM 654 OE2 GLU A 43 2.057 -12.656 -33.493 1.00 51.40 O ATOM 0 H GLU A 43 2.660 -13.876 -28.579 1.00 23.03 H new ATOM 0 HA GLU A 43 5.182 -13.994 -29.930 1.00 71.02 H new ATOM 0 HB2 GLU A 43 2.781 -12.139 -30.002 1.00 64.21 H new ATOM 0 HB3 GLU A 43 4.208 -11.838 -30.973 1.00 64.21 H new ATOM 0 HG2 GLU A 43 3.894 -13.788 -32.272 1.00 35.30 H new ATOM 0 HG3 GLU A 43 2.818 -14.515 -31.095 1.00 35.30 H new ATOM 661 N GLU A 44 4.633 -11.569 -27.757 1.00 3.43 N ATOM 662 CA GLU A 44 5.290 -10.542 -26.956 1.00 65.21 C ATOM 663 C GLU A 44 6.360 -11.156 -26.057 1.00 10.52 C ATOM 664 O GLU A 44 7.400 -10.546 -25.805 1.00 72.35 O ATOM 665 CB GLU A 44 4.263 -9.791 -26.106 1.00 62.43 C ATOM 666 CG GLU A 44 3.532 -8.695 -26.863 1.00 31.31 C ATOM 667 CD GLU A 44 4.120 -7.320 -26.611 1.00 34.41 C ATOM 668 OE1 GLU A 44 5.226 -7.047 -27.121 1.00 5.44 O ATOM 669 OE2 GLU A 44 3.474 -6.519 -25.904 1.00 53.23 O ATOM 0 H GLU A 44 3.641 -11.691 -27.555 1.00 3.43 H new ATOM 0 HA GLU A 44 5.771 -9.839 -27.636 1.00 65.21 H new ATOM 0 HB2 GLU A 44 3.534 -10.503 -25.719 1.00 62.43 H new ATOM 0 HB3 GLU A 44 4.767 -9.352 -25.245 1.00 62.43 H new ATOM 0 HG2 GLU A 44 3.567 -8.911 -27.931 1.00 31.31 H new ATOM 0 HG3 GLU A 44 2.482 -8.696 -26.572 1.00 31.31 H new ATOM 676 N VAL A 45 6.096 -12.366 -25.574 1.00 43.33 N ATOM 677 CA VAL A 45 7.035 -13.063 -24.703 1.00 42.24 C ATOM 678 C VAL A 45 8.297 -13.460 -25.461 1.00 51.14 C ATOM 679 O VAL A 45 9.395 -13.456 -24.905 1.00 0.41 O ATOM 680 CB VAL A 45 6.400 -14.324 -24.089 1.00 22.31 C ATOM 681 CG1 VAL A 45 7.381 -15.014 -23.153 1.00 70.31 C ATOM 682 CG2 VAL A 45 5.113 -13.971 -23.359 1.00 40.02 C ATOM 0 H VAL A 45 5.240 -12.884 -25.771 1.00 43.33 H new ATOM 0 HA VAL A 45 7.298 -12.371 -23.903 1.00 42.24 H new ATOM 0 HB VAL A 45 6.156 -15.016 -24.895 1.00 22.31 H new ATOM 0 HG11 VAL A 45 6.915 -15.903 -22.728 1.00 70.31 H new ATOM 0 HG12 VAL A 45 8.273 -15.302 -23.709 1.00 70.31 H new ATOM 0 HG13 VAL A 45 7.659 -14.331 -22.350 1.00 70.31 H new ATOM 0 HG21 VAL A 45 4.678 -14.874 -22.931 1.00 40.02 H new ATOM 0 HG22 VAL A 45 5.330 -13.260 -22.562 1.00 40.02 H new ATOM 0 HG23 VAL A 45 4.407 -13.525 -24.060 1.00 40.02 H new ATOM 692 N ASP A 46 8.132 -13.802 -26.734 1.00 64.33 N ATOM 693 CA ASP A 46 9.259 -14.201 -27.571 1.00 14.14 C ATOM 694 C ASP A 46 10.362 -13.148 -27.535 1.00 13.25 C ATOM 695 O ASP A 46 11.541 -13.475 -27.403 1.00 35.02 O ATOM 696 CB ASP A 46 8.797 -14.425 -29.012 1.00 23.05 C ATOM 697 CG ASP A 46 9.262 -15.757 -29.568 1.00 13.34 C ATOM 698 OD1 ASP A 46 8.656 -16.790 -29.216 1.00 33.05 O ATOM 699 OD2 ASP A 46 10.232 -15.766 -30.354 1.00 51.32 O ATOM 0 H ASP A 46 7.230 -13.811 -27.209 1.00 64.33 H new ATOM 0 HA ASP A 46 9.660 -15.135 -27.177 1.00 14.14 H new ATOM 0 HB2 ASP A 46 7.709 -14.377 -29.053 1.00 23.05 H new ATOM 0 HB3 ASP A 46 9.176 -13.620 -29.641 1.00 23.05 H new ATOM 704 N GLU A 47 9.970 -11.883 -27.654 1.00 32.14 N ATOM 705 CA GLU A 47 10.926 -10.783 -27.636 1.00 44.35 C ATOM 706 C GLU A 47 11.495 -10.577 -26.235 1.00 74.51 C ATOM 707 O GLU A 47 12.620 -10.106 -26.073 1.00 71.52 O ATOM 708 CB GLU A 47 10.263 -9.493 -28.124 1.00 12.15 C ATOM 709 CG GLU A 47 10.825 -8.978 -29.438 1.00 72.10 C ATOM 710 CD GLU A 47 10.748 -10.008 -30.548 1.00 43.14 C ATOM 711 OE1 GLU A 47 9.790 -10.808 -30.551 1.00 72.23 O ATOM 712 OE2 GLU A 47 11.648 -10.013 -31.415 1.00 12.11 O ATOM 0 H GLU A 47 8.998 -11.595 -27.764 1.00 32.14 H new ATOM 0 HA GLU A 47 11.746 -11.038 -28.307 1.00 44.35 H new ATOM 0 HB2 GLU A 47 9.193 -9.666 -28.239 1.00 12.15 H new ATOM 0 HB3 GLU A 47 10.381 -8.723 -27.362 1.00 12.15 H new ATOM 0 HG2 GLU A 47 10.278 -8.084 -29.738 1.00 72.10 H new ATOM 0 HG3 GLU A 47 11.864 -8.682 -29.293 1.00 72.10 H new ATOM 719 N MET A 48 10.707 -10.934 -25.226 1.00 21.23 N ATOM 720 CA MET A 48 11.132 -10.790 -23.838 1.00 15.10 C ATOM 721 C MET A 48 12.370 -11.635 -23.558 1.00 30.25 C ATOM 722 O MET A 48 13.309 -11.179 -22.904 1.00 71.14 O ATOM 723 CB MET A 48 9.999 -11.193 -22.891 1.00 63.34 C ATOM 724 CG MET A 48 9.418 -10.028 -22.108 1.00 2.24 C ATOM 725 SD MET A 48 9.833 -10.095 -20.354 1.00 55.30 S ATOM 726 CE MET A 48 8.925 -11.553 -19.847 1.00 72.11 C ATOM 0 H MET A 48 9.772 -11.325 -25.343 1.00 21.23 H new ATOM 0 HA MET A 48 11.383 -9.743 -23.668 1.00 15.10 H new ATOM 0 HB2 MET A 48 9.204 -11.664 -23.469 1.00 63.34 H new ATOM 0 HB3 MET A 48 10.371 -11.941 -22.191 1.00 63.34 H new ATOM 0 HG2 MET A 48 9.786 -9.092 -22.529 1.00 2.24 H new ATOM 0 HG3 MET A 48 8.334 -10.024 -22.221 1.00 2.24 H new ATOM 0 HE1 MET A 48 9.269 -11.872 -18.863 1.00 72.11 H new ATOM 0 HE2 MET A 48 7.861 -11.321 -19.802 1.00 72.11 H new ATOM 0 HE3 MET A 48 9.092 -12.354 -20.567 1.00 72.11 H new ATOM 736 N ILE A 49 12.365 -12.867 -24.055 1.00 33.44 N ATOM 737 CA ILE A 49 13.488 -13.775 -23.858 1.00 3.24 C ATOM 738 C ILE A 49 14.717 -13.305 -24.629 1.00 54.42 C ATOM 739 O ILE A 49 15.848 -13.647 -24.284 1.00 74.02 O ATOM 740 CB ILE A 49 13.138 -15.209 -24.297 1.00 53.41 C ATOM 741 CG1 ILE A 49 11.814 -15.649 -23.669 1.00 14.51 C ATOM 742 CG2 ILE A 49 14.255 -16.168 -23.916 1.00 5.31 C ATOM 743 CD1 ILE A 49 11.345 -17.009 -24.137 1.00 3.33 C ATOM 0 H ILE A 49 11.595 -13.260 -24.597 1.00 33.44 H new ATOM 0 HA ILE A 49 13.709 -13.775 -22.791 1.00 3.24 H new ATOM 0 HB ILE A 49 13.027 -15.224 -25.381 1.00 53.41 H new ATOM 0 HG12 ILE A 49 11.923 -15.665 -22.585 1.00 14.51 H new ATOM 0 HG13 ILE A 49 11.048 -14.910 -23.901 1.00 14.51 H new ATOM 0 HG21 ILE A 49 13.992 -17.177 -24.233 1.00 5.31 H new ATOM 0 HG22 ILE A 49 15.180 -15.863 -24.406 1.00 5.31 H new ATOM 0 HG23 ILE A 49 14.395 -16.152 -22.835 1.00 5.31 H new ATOM 0 HD11 ILE A 49 10.401 -17.256 -23.651 1.00 3.33 H new ATOM 0 HD12 ILE A 49 11.203 -16.993 -25.218 1.00 3.33 H new ATOM 0 HD13 ILE A 49 12.092 -17.760 -23.880 1.00 3.33 H new ATOM 755 N ARG A 50 14.486 -12.517 -25.674 1.00 41.43 N ATOM 756 CA ARG A 50 15.574 -11.998 -26.495 1.00 20.31 C ATOM 757 C ARG A 50 16.536 -11.162 -25.657 1.00 2.52 C ATOM 758 O ARG A 50 17.753 -11.260 -25.809 1.00 42.13 O ATOM 759 CB ARG A 50 15.018 -11.156 -27.645 1.00 34.44 C ATOM 760 CG ARG A 50 15.572 -11.543 -29.006 1.00 53.32 C ATOM 761 CD ARG A 50 16.950 -10.944 -29.237 1.00 3.21 C ATOM 762 NE ARG A 50 17.921 -11.950 -29.659 1.00 74.33 N ATOM 763 CZ ARG A 50 19.232 -11.740 -29.688 1.00 70.32 C ATOM 764 NH1 ARG A 50 19.727 -10.566 -29.321 1.00 20.52 N ATOM 765 NH2 ARG A 50 20.051 -12.706 -30.085 1.00 2.13 N ATOM 0 H ARG A 50 13.556 -12.224 -25.972 1.00 41.43 H new ATOM 0 HA ARG A 50 16.121 -12.846 -26.907 1.00 20.31 H new ATOM 0 HB2 ARG A 50 13.932 -11.253 -27.663 1.00 34.44 H new ATOM 0 HB3 ARG A 50 15.241 -10.106 -27.456 1.00 34.44 H new ATOM 0 HG2 ARG A 50 15.629 -12.629 -29.082 1.00 53.32 H new ATOM 0 HG3 ARG A 50 14.891 -11.204 -29.787 1.00 53.32 H new ATOM 0 HD2 ARG A 50 16.884 -10.164 -29.995 1.00 3.21 H new ATOM 0 HD3 ARG A 50 17.297 -10.468 -28.320 1.00 3.21 H new ATOM 0 HE ARG A 50 17.573 -12.864 -29.947 1.00 74.33 H new ATOM 0 HH11 ARG A 50 19.100 -9.821 -29.015 1.00 20.52 H new ATOM 0 HH12 ARG A 50 20.734 -10.407 -29.344 1.00 20.52 H new ATOM 0 HH21 ARG A 50 19.674 -13.610 -30.368 1.00 2.13 H new ATOM 0 HH22 ARG A 50 21.058 -12.544 -30.107 1.00 2.13 H new ATOM 779 N GLU A 51 15.981 -10.339 -24.773 1.00 12.44 N ATOM 780 CA GLU A 51 16.790 -9.484 -23.912 1.00 23.11 C ATOM 781 C GLU A 51 17.210 -10.228 -22.647 1.00 45.43 C ATOM 782 O GLU A 51 18.330 -10.067 -22.163 1.00 65.14 O ATOM 783 CB GLU A 51 16.016 -8.218 -23.539 1.00 61.11 C ATOM 784 CG GLU A 51 14.697 -8.496 -22.837 1.00 44.32 C ATOM 785 CD GLU A 51 13.948 -7.227 -22.481 1.00 54.31 C ATOM 786 OE1 GLU A 51 14.256 -6.630 -21.428 1.00 61.34 O ATOM 787 OE2 GLU A 51 13.052 -6.830 -23.256 1.00 61.11 O ATOM 0 H GLU A 51 14.975 -10.246 -24.634 1.00 12.44 H new ATOM 0 HA GLU A 51 17.687 -9.203 -24.463 1.00 23.11 H new ATOM 0 HB2 GLU A 51 16.638 -7.599 -22.893 1.00 61.11 H new ATOM 0 HB3 GLU A 51 15.822 -7.641 -24.443 1.00 61.11 H new ATOM 0 HG2 GLU A 51 14.071 -9.115 -23.480 1.00 44.32 H new ATOM 0 HG3 GLU A 51 14.886 -9.069 -21.929 1.00 44.32 H new ATOM 794 N ALA A 52 16.303 -11.041 -22.117 1.00 60.01 N ATOM 795 CA ALA A 52 16.579 -11.810 -20.910 1.00 71.42 C ATOM 796 C ALA A 52 17.269 -13.128 -21.245 1.00 70.31 C ATOM 797 O ALA A 52 16.761 -14.204 -20.928 1.00 71.01 O ATOM 798 CB ALA A 52 15.291 -12.067 -20.142 1.00 10.01 C ATOM 0 H ALA A 52 15.370 -11.184 -22.504 1.00 60.01 H new ATOM 0 HA ALA A 52 17.253 -11.226 -20.283 1.00 71.42 H new ATOM 0 HB1 ALA A 52 15.512 -12.642 -19.243 1.00 10.01 H new ATOM 0 HB2 ALA A 52 14.838 -11.116 -19.862 1.00 10.01 H new ATOM 0 HB3 ALA A 52 14.598 -12.627 -20.770 1.00 10.01 H new ATOM 804 N ASP A 53 18.428 -13.037 -21.888 1.00 20.23 N ATOM 805 CA ASP A 53 19.188 -14.223 -22.265 1.00 61.14 C ATOM 806 C ASP A 53 20.508 -13.835 -22.924 1.00 25.32 C ATOM 807 O ASP A 53 21.575 -13.968 -22.323 1.00 62.42 O ATOM 808 CB ASP A 53 18.369 -15.099 -23.214 1.00 71.32 C ATOM 809 CG ASP A 53 19.166 -16.269 -23.756 1.00 25.55 C ATOM 810 OD1 ASP A 53 19.219 -17.317 -23.077 1.00 52.10 O ATOM 811 OD2 ASP A 53 19.738 -16.138 -24.858 1.00 74.20 O ATOM 0 H ASP A 53 18.862 -12.154 -22.159 1.00 20.23 H new ATOM 0 HA ASP A 53 19.407 -14.788 -21.359 1.00 61.14 H new ATOM 0 HB2 ASP A 53 17.490 -15.474 -22.690 1.00 71.32 H new ATOM 0 HB3 ASP A 53 18.010 -14.492 -24.045 1.00 71.32 H new ATOM 816 N ILE A 54 20.429 -13.357 -24.161 1.00 12.33 N ATOM 817 CA ILE A 54 21.617 -12.950 -24.900 1.00 4.11 C ATOM 818 C ILE A 54 22.670 -14.053 -24.899 1.00 31.34 C ATOM 819 O ILE A 54 23.670 -13.970 -24.186 1.00 24.20 O ATOM 820 CB ILE A 54 22.234 -11.667 -24.312 1.00 42.13 C ATOM 821 CG1 ILE A 54 21.182 -10.559 -24.235 1.00 3.55 C ATOM 822 CG2 ILE A 54 23.423 -11.219 -25.150 1.00 14.12 C ATOM 823 CD1 ILE A 54 21.692 -9.286 -23.596 1.00 12.43 C ATOM 0 H ILE A 54 19.554 -13.242 -24.673 1.00 12.33 H new ATOM 0 HA ILE A 54 21.299 -12.755 -25.924 1.00 4.11 H new ATOM 0 HB ILE A 54 22.586 -11.880 -23.302 1.00 42.13 H new ATOM 0 HG12 ILE A 54 20.828 -10.335 -25.241 1.00 3.55 H new ATOM 0 HG13 ILE A 54 20.324 -10.922 -23.669 1.00 3.55 H new ATOM 0 HG21 ILE A 54 23.848 -10.311 -24.722 1.00 14.12 H new ATOM 0 HG22 ILE A 54 24.179 -12.005 -25.159 1.00 14.12 H new ATOM 0 HG23 ILE A 54 23.095 -11.020 -26.170 1.00 14.12 H new ATOM 0 HD11 ILE A 54 20.893 -8.544 -23.575 1.00 12.43 H new ATOM 0 HD12 ILE A 54 22.020 -9.496 -22.578 1.00 12.43 H new ATOM 0 HD13 ILE A 54 22.531 -8.899 -24.175 1.00 12.43 H new ATOM 835 N ASP A 55 22.438 -15.085 -25.703 1.00 22.25 N ATOM 836 CA ASP A 55 23.368 -16.205 -25.797 1.00 12.21 C ATOM 837 C ASP A 55 22.880 -17.232 -26.814 1.00 32.14 C ATOM 838 O ASP A 55 23.034 -18.437 -26.617 1.00 52.30 O ATOM 839 CB ASP A 55 23.543 -16.866 -24.429 1.00 64.31 C ATOM 840 CG ASP A 55 22.218 -17.202 -23.774 1.00 61.31 C ATOM 841 OD1 ASP A 55 21.522 -18.111 -24.274 1.00 50.35 O ATOM 842 OD2 ASP A 55 21.877 -16.558 -22.761 1.00 3.44 O ATOM 0 H ASP A 55 21.614 -15.169 -26.299 1.00 22.25 H new ATOM 0 HA ASP A 55 24.331 -15.819 -26.131 1.00 12.21 H new ATOM 0 HB2 ASP A 55 24.131 -17.777 -24.542 1.00 64.31 H new ATOM 0 HB3 ASP A 55 24.109 -16.200 -23.777 1.00 64.31 H new ATOM 847 N GLY A 56 22.289 -16.746 -27.901 1.00 61.44 N ATOM 848 CA GLY A 56 21.786 -17.636 -28.932 1.00 43.32 C ATOM 849 C GLY A 56 20.623 -18.480 -28.452 1.00 72.42 C ATOM 850 O GLY A 56 20.449 -19.617 -28.892 1.00 22.21 O ATOM 0 H GLY A 56 22.149 -15.753 -28.086 1.00 61.44 H new ATOM 0 HA2 GLY A 56 21.472 -17.048 -29.794 1.00 43.32 H new ATOM 0 HA3 GLY A 56 22.591 -18.290 -29.268 1.00 43.32 H new ATOM 854 N ASP A 57 19.825 -17.925 -27.547 1.00 32.32 N ATOM 855 CA ASP A 57 18.672 -18.636 -27.006 1.00 12.42 C ATOM 856 C ASP A 57 19.088 -19.980 -26.418 1.00 65.44 C ATOM 857 O ASP A 57 18.946 -21.020 -27.060 1.00 33.42 O ATOM 858 CB ASP A 57 17.618 -18.845 -28.094 1.00 41.04 C ATOM 859 CG ASP A 57 16.250 -19.161 -27.523 1.00 11.42 C ATOM 860 OD1 ASP A 57 16.182 -19.916 -26.531 1.00 74.21 O ATOM 861 OD2 ASP A 57 15.247 -18.653 -28.068 1.00 2.34 O ATOM 0 H ASP A 57 19.955 -16.985 -27.172 1.00 32.32 H new ATOM 0 HA ASP A 57 18.244 -18.029 -26.209 1.00 12.42 H new ATOM 0 HB2 ASP A 57 17.553 -17.948 -28.710 1.00 41.04 H new ATOM 0 HB3 ASP A 57 17.932 -19.658 -28.748 1.00 41.04 H new ATOM 866 N GLY A 58 19.606 -19.951 -25.194 1.00 32.12 N ATOM 867 CA GLY A 58 20.037 -21.174 -24.541 1.00 54.51 C ATOM 868 C GLY A 58 19.656 -21.213 -23.074 1.00 41.43 C ATOM 869 O GLY A 58 18.658 -21.829 -22.702 1.00 61.23 O ATOM 0 H GLY A 58 19.735 -19.103 -24.643 1.00 32.12 H new ATOM 0 HA2 GLY A 58 19.595 -22.030 -25.051 1.00 54.51 H new ATOM 0 HA3 GLY A 58 21.119 -21.271 -24.635 1.00 54.51 H new ATOM 873 N GLN A 59 20.454 -20.554 -22.240 1.00 21.32 N ATOM 874 CA GLN A 59 20.196 -20.519 -20.805 1.00 41.01 C ATOM 875 C GLN A 59 20.194 -19.084 -20.287 1.00 65.45 C ATOM 876 O GLN A 59 20.928 -18.232 -20.788 1.00 24.01 O ATOM 877 CB GLN A 59 21.245 -21.343 -20.056 1.00 43.35 C ATOM 878 CG GLN A 59 21.521 -22.697 -20.690 1.00 33.15 C ATOM 879 CD GLN A 59 22.767 -22.695 -21.552 1.00 63.41 C ATOM 880 OE1 GLN A 59 23.149 -21.666 -22.110 1.00 22.04 O ATOM 881 NE2 GLN A 59 23.410 -23.852 -21.667 1.00 12.13 N ATOM 0 H GLN A 59 21.284 -20.038 -22.533 1.00 21.32 H new ATOM 0 HA GLN A 59 19.211 -20.951 -20.628 1.00 41.01 H new ATOM 0 HB2 GLN A 59 22.175 -20.776 -20.010 1.00 43.35 H new ATOM 0 HB3 GLN A 59 20.912 -21.493 -19.029 1.00 43.35 H new ATOM 0 HG2 GLN A 59 21.628 -23.446 -19.905 1.00 33.15 H new ATOM 0 HG3 GLN A 59 20.665 -22.991 -21.297 1.00 33.15 H new ATOM 0 HE21 GLN A 59 23.059 -24.681 -21.187 1.00 12.13 H new ATOM 0 HE22 GLN A 59 24.255 -23.912 -22.235 1.00 12.13 H new ATOM 890 N VAL A 60 19.365 -18.824 -19.282 1.00 74.12 N ATOM 891 CA VAL A 60 19.268 -17.493 -18.696 1.00 12.31 C ATOM 892 C VAL A 60 19.996 -17.427 -17.358 1.00 44.14 C ATOM 893 O VAL A 60 19.981 -18.383 -16.584 1.00 44.13 O ATOM 894 CB VAL A 60 17.800 -17.076 -18.489 1.00 55.23 C ATOM 895 CG1 VAL A 60 17.717 -15.644 -17.984 1.00 0.43 C ATOM 896 CG2 VAL A 60 17.013 -17.240 -19.781 1.00 33.12 C ATOM 0 H VAL A 60 18.750 -19.518 -18.856 1.00 74.12 H new ATOM 0 HA VAL A 60 19.739 -16.804 -19.397 1.00 12.31 H new ATOM 0 HB VAL A 60 17.359 -17.728 -17.735 1.00 55.23 H new ATOM 0 HG11 VAL A 60 16.672 -15.368 -17.844 1.00 0.43 H new ATOM 0 HG12 VAL A 60 18.245 -15.562 -17.034 1.00 0.43 H new ATOM 0 HG13 VAL A 60 18.175 -14.974 -18.712 1.00 0.43 H new ATOM 0 HG21 VAL A 60 15.978 -16.941 -19.617 1.00 33.12 H new ATOM 0 HG22 VAL A 60 17.453 -16.614 -20.557 1.00 33.12 H new ATOM 0 HG23 VAL A 60 17.044 -18.283 -20.096 1.00 33.12 H new ATOM 906 N ASN A 61 20.633 -16.291 -17.093 1.00 45.00 N ATOM 907 CA ASN A 61 21.369 -16.100 -15.848 1.00 54.21 C ATOM 908 C ASN A 61 20.418 -15.779 -14.699 1.00 31.33 C ATOM 909 O ASN A 61 19.626 -14.840 -14.778 1.00 74.30 O ATOM 910 CB ASN A 61 22.395 -14.976 -16.005 1.00 15.52 C ATOM 911 CG ASN A 61 23.297 -15.179 -17.207 1.00 33.44 C ATOM 912 OD1 ASN A 61 23.634 -16.310 -17.559 1.00 1.22 O ATOM 913 ND2 ASN A 61 23.692 -14.083 -17.842 1.00 50.42 N ATOM 0 H ASN A 61 20.655 -15.489 -17.723 1.00 45.00 H new ATOM 0 HA ASN A 61 21.891 -17.029 -15.617 1.00 54.21 H new ATOM 0 HB2 ASN A 61 21.874 -14.023 -16.102 1.00 15.52 H new ATOM 0 HB3 ASN A 61 23.004 -14.916 -15.103 1.00 15.52 H new ATOM 0 HD21 ASN A 61 24.300 -14.157 -18.658 1.00 50.42 H new ATOM 0 HD22 ASN A 61 23.388 -13.166 -17.515 1.00 50.42 H new ATOM 920 N TYR A 62 20.503 -16.565 -13.631 1.00 62.33 N ATOM 921 CA TYR A 62 19.650 -16.367 -12.466 1.00 13.11 C ATOM 922 C TYR A 62 19.843 -14.972 -11.880 1.00 4.31 C ATOM 923 O TYR A 62 18.898 -14.358 -11.385 1.00 64.32 O ATOM 924 CB TYR A 62 19.949 -17.425 -11.402 1.00 51.14 C ATOM 925 CG TYR A 62 19.346 -17.113 -10.051 1.00 53.15 C ATOM 926 CD1 TYR A 62 18.020 -16.712 -9.937 1.00 2.03 C ATOM 927 CD2 TYR A 62 20.101 -17.218 -8.890 1.00 61.12 C ATOM 928 CE1 TYR A 62 17.465 -16.425 -8.705 1.00 31.24 C ATOM 929 CE2 TYR A 62 19.554 -16.935 -7.654 1.00 13.21 C ATOM 930 CZ TYR A 62 18.235 -16.539 -7.566 1.00 44.43 C ATOM 931 OH TYR A 62 17.687 -16.254 -6.337 1.00 31.13 O ATOM 0 H TYR A 62 21.155 -17.345 -13.549 1.00 62.33 H new ATOM 0 HA TYR A 62 18.613 -16.467 -12.786 1.00 13.11 H new ATOM 0 HB2 TYR A 62 19.573 -18.389 -11.744 1.00 51.14 H new ATOM 0 HB3 TYR A 62 21.029 -17.524 -11.294 1.00 51.14 H new ATOM 0 HD1 TYR A 62 17.414 -16.623 -10.826 1.00 2.03 H new ATOM 0 HD2 TYR A 62 21.134 -17.526 -8.955 1.00 61.12 H new ATOM 0 HE1 TYR A 62 16.434 -16.113 -8.634 1.00 31.24 H new ATOM 0 HE2 TYR A 62 20.155 -17.023 -6.761 1.00 13.21 H new ATOM 0 HH TYR A 62 17.124 -17.002 -6.049 1.00 31.13 H new ATOM 941 N GLU A 63 21.076 -14.477 -11.941 1.00 31.21 N ATOM 942 CA GLU A 63 21.394 -13.154 -11.416 1.00 64.53 C ATOM 943 C GLU A 63 20.755 -12.062 -12.269 1.00 62.53 C ATOM 944 O GLU A 63 20.072 -11.177 -11.754 1.00 24.11 O ATOM 945 CB GLU A 63 22.910 -12.954 -11.363 1.00 43.25 C ATOM 946 CG GLU A 63 23.598 -13.786 -10.294 1.00 74.44 C ATOM 947 CD GLU A 63 24.637 -12.999 -9.521 1.00 24.34 C ATOM 948 OE1 GLU A 63 24.290 -11.929 -8.979 1.00 23.10 O ATOM 949 OE2 GLU A 63 25.799 -13.454 -9.457 1.00 33.42 O ATOM 0 H GLU A 63 21.870 -14.972 -12.348 1.00 31.21 H new ATOM 0 HA GLU A 63 20.990 -13.085 -10.406 1.00 64.53 H new ATOM 0 HB2 GLU A 63 23.335 -13.204 -12.335 1.00 43.25 H new ATOM 0 HB3 GLU A 63 23.123 -11.900 -11.184 1.00 43.25 H new ATOM 0 HG2 GLU A 63 22.850 -14.171 -9.601 1.00 74.44 H new ATOM 0 HG3 GLU A 63 24.074 -14.648 -10.761 1.00 74.44 H new ATOM 956 N ASP A 64 20.982 -12.132 -13.576 1.00 63.33 N ATOM 957 CA ASP A 64 20.429 -11.151 -14.502 1.00 51.30 C ATOM 958 C ASP A 64 18.924 -11.001 -14.300 1.00 3.23 C ATOM 959 O ASP A 64 18.423 -9.897 -14.083 1.00 24.24 O ATOM 960 CB ASP A 64 20.724 -11.558 -15.947 1.00 13.44 C ATOM 961 CG ASP A 64 20.187 -10.557 -16.951 1.00 14.00 C ATOM 962 OD1 ASP A 64 19.872 -9.419 -16.545 1.00 12.43 O ATOM 963 OD2 ASP A 64 20.082 -10.912 -18.143 1.00 51.05 O ATOM 0 H ASP A 64 21.545 -12.858 -14.018 1.00 63.33 H new ATOM 0 HA ASP A 64 20.902 -10.190 -14.300 1.00 51.30 H new ATOM 0 HB2 ASP A 64 21.801 -11.660 -16.080 1.00 13.44 H new ATOM 0 HB3 ASP A 64 20.285 -12.536 -16.143 1.00 13.44 H new ATOM 968 N PHE A 65 18.208 -12.118 -14.373 1.00 44.13 N ATOM 969 CA PHE A 65 16.760 -12.111 -14.200 1.00 44.23 C ATOM 970 C PHE A 65 16.370 -11.387 -12.915 1.00 53.33 C ATOM 971 O PHE A 65 15.299 -10.785 -12.829 1.00 42.02 O ATOM 972 CB PHE A 65 16.221 -13.543 -14.176 1.00 43.44 C ATOM 973 CG PHE A 65 14.877 -13.688 -14.830 1.00 51.12 C ATOM 974 CD1 PHE A 65 14.766 -13.753 -16.210 1.00 21.33 C ATOM 975 CD2 PHE A 65 13.724 -13.759 -14.065 1.00 52.31 C ATOM 976 CE1 PHE A 65 13.531 -13.887 -16.815 1.00 35.44 C ATOM 977 CE2 PHE A 65 12.486 -13.893 -14.664 1.00 73.23 C ATOM 978 CZ PHE A 65 12.389 -13.956 -16.041 1.00 32.43 C ATOM 0 H PHE A 65 18.607 -13.040 -14.551 1.00 44.13 H new ATOM 0 HA PHE A 65 16.321 -11.579 -15.044 1.00 44.23 H new ATOM 0 HB2 PHE A 65 16.933 -14.199 -14.677 1.00 43.44 H new ATOM 0 HB3 PHE A 65 16.151 -13.879 -13.142 1.00 43.44 H new ATOM 0 HD1 PHE A 65 15.656 -13.698 -16.820 1.00 21.33 H new ATOM 0 HD2 PHE A 65 13.794 -13.709 -12.988 1.00 52.31 H new ATOM 0 HE1 PHE A 65 13.459 -13.938 -17.891 1.00 35.44 H new ATOM 0 HE2 PHE A 65 11.595 -13.948 -14.056 1.00 73.23 H new ATOM 0 HZ PHE A 65 11.422 -14.059 -16.511 1.00 32.43 H new ATOM 988 N VAL A 66 17.246 -11.450 -11.918 1.00 31.04 N ATOM 989 CA VAL A 66 16.994 -10.801 -10.637 1.00 1.43 C ATOM 990 C VAL A 66 17.385 -9.328 -10.681 1.00 41.20 C ATOM 991 O VAL A 66 16.779 -8.495 -10.008 1.00 51.31 O ATOM 992 CB VAL A 66 17.765 -11.491 -9.496 1.00 64.12 C ATOM 993 CG1 VAL A 66 17.543 -10.760 -8.181 1.00 54.43 C ATOM 994 CG2 VAL A 66 17.352 -12.950 -9.381 1.00 35.42 C ATOM 0 H VAL A 66 18.137 -11.944 -11.973 1.00 31.04 H new ATOM 0 HA VAL A 66 15.924 -10.885 -10.445 1.00 1.43 H new ATOM 0 HB VAL A 66 18.830 -11.455 -9.727 1.00 64.12 H new ATOM 0 HG11 VAL A 66 18.096 -11.263 -7.387 1.00 54.43 H new ATOM 0 HG12 VAL A 66 17.894 -9.732 -8.272 1.00 54.43 H new ATOM 0 HG13 VAL A 66 16.480 -10.761 -7.939 1.00 54.43 H new ATOM 0 HG21 VAL A 66 17.906 -13.422 -8.570 1.00 35.42 H new ATOM 0 HG22 VAL A 66 16.284 -13.010 -9.174 1.00 35.42 H new ATOM 0 HG23 VAL A 66 17.569 -13.465 -10.317 1.00 35.42 H new ATOM 1004 N GLN A 67 18.401 -9.015 -11.478 1.00 44.34 N ATOM 1005 CA GLN A 67 18.873 -7.641 -11.610 1.00 63.42 C ATOM 1006 C GLN A 67 17.755 -6.726 -12.095 1.00 54.55 C ATOM 1007 O GLN A 67 17.468 -5.699 -11.479 1.00 63.44 O ATOM 1008 CB GLN A 67 20.057 -7.577 -12.577 1.00 72.11 C ATOM 1009 CG GLN A 67 21.274 -6.871 -12.003 1.00 24.25 C ATOM 1010 CD GLN A 67 22.016 -6.050 -13.039 1.00 22.41 C ATOM 1011 OE1 GLN A 67 21.509 -5.039 -13.526 1.00 63.51 O ATOM 1012 NE2 GLN A 67 23.224 -6.481 -13.382 1.00 25.52 N ATOM 0 H GLN A 67 18.913 -9.693 -12.042 1.00 44.34 H new ATOM 0 HA GLN A 67 19.197 -7.299 -10.627 1.00 63.42 H new ATOM 0 HB2 GLN A 67 20.337 -8.591 -12.863 1.00 72.11 H new ATOM 0 HB3 GLN A 67 19.745 -7.064 -13.487 1.00 72.11 H new ATOM 0 HG2 GLN A 67 20.960 -6.221 -11.186 1.00 24.25 H new ATOM 0 HG3 GLN A 67 21.952 -7.611 -11.578 1.00 24.25 H new ATOM 0 HE21 GLN A 67 23.606 -7.324 -12.953 1.00 25.52 H new ATOM 0 HE22 GLN A 67 23.771 -5.969 -14.075 1.00 25.52 H new ATOM 1021 N MET A 68 17.126 -7.104 -13.204 1.00 11.43 N ATOM 1022 CA MET A 68 16.038 -6.316 -13.771 1.00 14.11 C ATOM 1023 C MET A 68 14.824 -6.321 -12.847 1.00 73.43 C ATOM 1024 O MET A 68 14.077 -5.346 -12.783 1.00 54.44 O ATOM 1025 CB MET A 68 15.649 -6.860 -15.147 1.00 33.43 C ATOM 1026 CG MET A 68 15.132 -5.794 -16.099 1.00 1.24 C ATOM 1027 SD MET A 68 14.947 -6.400 -17.787 1.00 21.14 S ATOM 1028 CE MET A 68 13.528 -5.453 -18.333 1.00 22.22 C ATOM 0 H MET A 68 17.351 -7.950 -13.727 1.00 11.43 H new ATOM 0 HA MET A 68 16.385 -5.288 -13.880 1.00 14.11 H new ATOM 0 HB2 MET A 68 16.516 -7.345 -15.595 1.00 33.43 H new ATOM 0 HB3 MET A 68 14.884 -7.626 -15.022 1.00 33.43 H new ATOM 0 HG2 MET A 68 14.170 -5.429 -15.741 1.00 1.24 H new ATOM 0 HG3 MET A 68 15.817 -4.946 -16.095 1.00 1.24 H new ATOM 0 HE1 MET A 68 13.647 -5.193 -19.385 1.00 22.22 H new ATOM 0 HE2 MET A 68 12.623 -6.048 -18.206 1.00 22.22 H new ATOM 0 HE3 MET A 68 13.449 -4.542 -17.740 1.00 22.22 H new ATOM 1038 N MET A 69 14.633 -7.427 -12.134 1.00 4.51 N ATOM 1039 CA MET A 69 13.510 -7.557 -11.213 1.00 61.42 C ATOM 1040 C MET A 69 13.576 -6.495 -10.120 1.00 63.24 C ATOM 1041 O MET A 69 12.568 -5.874 -9.782 1.00 44.51 O ATOM 1042 CB MET A 69 13.498 -8.952 -10.585 1.00 30.22 C ATOM 1043 CG MET A 69 12.177 -9.685 -10.757 1.00 2.33 C ATOM 1044 SD MET A 69 11.814 -10.066 -12.481 1.00 72.11 S ATOM 1045 CE MET A 69 10.430 -8.971 -12.786 1.00 10.41 C ATOM 0 H MET A 69 15.241 -8.245 -12.177 1.00 4.51 H new ATOM 0 HA MET A 69 12.590 -7.413 -11.779 1.00 61.42 H new ATOM 0 HB2 MET A 69 14.295 -9.548 -11.029 1.00 30.22 H new ATOM 0 HB3 MET A 69 13.720 -8.865 -9.521 1.00 30.22 H new ATOM 0 HG2 MET A 69 12.202 -10.611 -10.182 1.00 2.33 H new ATOM 0 HG3 MET A 69 11.372 -9.076 -10.346 1.00 2.33 H new ATOM 0 HE1 MET A 69 9.822 -9.370 -13.598 1.00 10.41 H new ATOM 0 HE2 MET A 69 9.824 -8.891 -11.884 1.00 10.41 H new ATOM 0 HE3 MET A 69 10.801 -7.984 -13.062 1.00 10.41 H new ATOM 1055 N THR A 70 14.769 -6.291 -9.571 1.00 25.44 N ATOM 1056 CA THR A 70 14.966 -5.306 -8.515 1.00 45.33 C ATOM 1057 C THR A 70 14.759 -3.890 -9.040 1.00 11.41 C ATOM 1058 O THR A 70 14.255 -3.022 -8.328 1.00 40.50 O ATOM 1059 CB THR A 70 16.376 -5.413 -7.903 1.00 13.43 C ATOM 1060 OG1 THR A 70 16.880 -6.743 -8.063 1.00 32.33 O ATOM 1061 CG2 THR A 70 16.353 -5.048 -6.426 1.00 50.30 C ATOM 0 H THR A 70 15.614 -6.795 -9.840 1.00 25.44 H new ATOM 0 HA THR A 70 14.226 -5.517 -7.743 1.00 45.33 H new ATOM 0 HB THR A 70 17.029 -4.713 -8.424 1.00 13.43 H new ATOM 0 HG1 THR A 70 17.777 -6.802 -7.673 1.00 32.33 H new ATOM 0 HG21 THR A 70 17.359 -5.131 -6.015 1.00 50.30 H new ATOM 0 HG22 THR A 70 15.996 -4.025 -6.310 1.00 50.30 H new ATOM 0 HG23 THR A 70 15.687 -5.727 -5.894 1.00 50.30 H new ATOM 1069 N ALA A 71 15.150 -3.663 -10.290 1.00 20.32 N ATOM 1070 CA ALA A 71 15.004 -2.353 -10.910 1.00 51.45 C ATOM 1071 C ALA A 71 13.533 -1.982 -11.071 1.00 65.25 C ATOM 1072 O ALA A 71 13.181 -0.804 -11.126 1.00 5.44 O ATOM 1073 CB ALA A 71 15.708 -2.326 -12.259 1.00 53.12 C ATOM 0 H ALA A 71 15.570 -4.370 -10.893 1.00 20.32 H new ATOM 0 HA ALA A 71 15.468 -1.615 -10.255 1.00 51.45 H new ATOM 0 HB1 ALA A 71 15.591 -1.341 -12.711 1.00 53.12 H new ATOM 0 HB2 ALA A 71 16.768 -2.538 -12.120 1.00 53.12 H new ATOM 0 HB3 ALA A 71 15.270 -3.080 -12.913 1.00 53.12 H new ATOM 1079 N LYS A 72 12.678 -2.996 -11.148 1.00 51.24 N ATOM 1080 CA LYS A 72 11.245 -2.778 -11.303 1.00 15.22 C ATOM 1081 C LYS A 72 10.624 -2.292 -9.997 1.00 2.12 C ATOM 1082 O LYS A 72 10.078 -3.104 -9.252 1.00 11.24 O ATOM 1083 CB LYS A 72 10.558 -4.068 -11.757 1.00 54.31 C ATOM 1084 CG LYS A 72 9.219 -3.837 -12.437 1.00 62.02 C ATOM 1085 CD LYS A 72 8.112 -3.604 -11.424 1.00 15.44 C ATOM 1086 CE LYS A 72 6.791 -4.194 -11.895 1.00 3.12 C ATOM 1087 NZ LYS A 72 5.780 -3.137 -12.174 1.00 74.40 N ATOM 0 H LYS A 72 12.953 -3.977 -11.106 1.00 51.24 H new ATOM 0 HA LYS A 72 11.100 -2.009 -12.062 1.00 15.22 H new ATOM 0 HB2 LYS A 72 11.218 -4.599 -12.443 1.00 54.31 H new ATOM 0 HB3 LYS A 72 10.410 -4.715 -10.892 1.00 54.31 H new ATOM 0 HG2 LYS A 72 9.291 -2.977 -13.102 1.00 62.02 H new ATOM 0 HG3 LYS A 72 8.971 -4.699 -13.056 1.00 62.02 H new ATOM 0 HD2 LYS A 72 8.391 -4.050 -10.470 1.00 15.44 H new ATOM 0 HD3 LYS A 72 7.993 -2.534 -11.253 1.00 15.44 H new ATOM 0 HE2 LYS A 72 6.958 -4.784 -12.796 1.00 3.12 H new ATOM 0 HE3 LYS A 72 6.405 -4.874 -11.135 1.00 3.12 H new ATOM 0 HZ1 LYS A 72 4.894 -3.579 -12.492 1.00 74.40 H new ATOM 0 HZ2 LYS A 72 5.602 -2.590 -11.308 1.00 74.40 H new ATOM 0 HZ3 LYS A 72 6.137 -2.503 -12.917 1.00 74.40 H new TER 1101 LYS A 72