USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 819 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 108 HIS : no HD1:sc= 0.0534 X(o=0.11,f=0) USER MOD Set 1.2: A 109 HIS :FLIP no HE2:sc= 0.0558 F(o=-0.54,f=0.11) USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= -0.433 USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0549 (180deg=-0.422) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.36 (180deg=0.758) USER MOD Single : A 3 MET CE :methyl -154:sc= -0.302 (180deg=-1.1) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= -0.0216 (180deg=-0.163) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -102:sc= 1.48 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 140:sc= -1.51 (180deg=-3.91!) USER MOD Single : A 15 CYS SG : rot -31:sc= 0.286 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0864 K(o=-0.086,f=-0.75) USER MOD Single : A 27 ASN : amide:sc= 1.28 K(o=1.3,f=-0.18) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -148:sc= 1.2 USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.682! (180deg=-2.98!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -169:sc= -0.876 USER MOD Single : A 44 SER OG : rot 60:sc= 1.22 USER MOD Single : A 46 MET CE :methyl 141:sc= -1.43 (180deg=-2.82) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 0.152 (180deg=0.119) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= -0.0964 (180deg=-0.471) USER MOD Single : A 57 SER OG : rot 51:sc= 1.3 USER MOD Single : A 58 SER OG : rot 60:sc= 0.303 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 93:sc= 0.654 USER MOD Single : A 87 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.5) USER MOD Single : A 90 MET CE :methyl -117:sc= -4.06! (180deg=-6.07!) USER MOD Single : A 96 SER OG : rot -36:sc= 1.29 USER MOD Single : A 99 SER OG : rot 137:sc= -1.29! USER MOD Single : A 104 HIS : no HD1:sc= -0.916 K(o=-0.92,f=-6.1!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 106 HIS : no HE2:sc=-0.00735 K(o=-0.0073,f=-5.3!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.405 21.473 -20.496 1.00 21.04 N ATOM 2 CA MET A 1 50.061 21.097 -20.998 1.00 53.55 C ATOM 3 C MET A 1 49.900 19.585 -21.004 1.00 1.22 C ATOM 4 O MET A 1 50.429 18.896 -21.879 1.00 74.31 O ATOM 5 CB MET A 1 49.822 21.648 -22.409 1.00 11.13 C ATOM 6 CG MET A 1 49.610 23.158 -22.465 1.00 43.33 C ATOM 7 SD MET A 1 51.087 24.103 -22.037 1.00 63.20 S ATOM 8 CE MET A 1 52.163 23.705 -23.416 1.00 60.31 C ATOM 0 H1 MET A 1 51.604 22.463 -20.746 1.00 21.04 H new ATOM 0 H2 MET A 1 51.432 21.364 -19.462 1.00 21.04 H new ATOM 0 H3 MET A 1 52.122 20.856 -20.928 1.00 21.04 H new ATOM 0 HA MET A 1 49.322 21.534 -20.327 1.00 53.55 H new ATOM 0 HB2 MET A 1 50.674 21.389 -23.037 1.00 11.13 H new ATOM 0 HB3 MET A 1 48.949 21.154 -22.836 1.00 11.13 H new ATOM 0 HG2 MET A 1 49.288 23.436 -23.469 1.00 43.33 H new ATOM 0 HG3 MET A 1 48.803 23.430 -21.784 1.00 43.33 H new ATOM 0 HE1 MET A 1 52.968 24.438 -23.473 1.00 60.31 H new ATOM 0 HE2 MET A 1 52.587 22.711 -23.272 1.00 60.31 H new ATOM 0 HE3 MET A 1 51.589 23.724 -24.343 1.00 60.31 H new ATOM 20 N ALA A 2 49.178 19.079 -20.012 1.00 41.52 N ATOM 21 CA ALA A 2 48.926 17.651 -19.878 1.00 20.11 C ATOM 22 C ALA A 2 47.883 17.404 -18.799 1.00 40.24 C ATOM 23 O ALA A 2 48.219 17.118 -17.648 1.00 73.22 O ATOM 24 CB ALA A 2 50.208 16.895 -19.553 1.00 51.04 C ATOM 0 H ALA A 2 48.752 19.646 -19.279 1.00 41.52 H new ATOM 0 HA ALA A 2 48.549 17.282 -20.831 1.00 20.11 H new ATOM 0 HB1 ALA A 2 49.989 15.831 -19.459 1.00 51.04 H new ATOM 0 HB2 ALA A 2 50.933 17.047 -20.353 1.00 51.04 H new ATOM 0 HB3 ALA A 2 50.621 17.265 -18.614 1.00 51.04 H new ATOM 30 N MET A 3 46.623 17.560 -19.163 1.00 61.44 N ATOM 31 CA MET A 3 45.530 17.363 -18.226 1.00 24.31 C ATOM 32 C MET A 3 44.346 16.696 -18.911 1.00 34.03 C ATOM 33 O MET A 3 43.633 17.313 -19.703 1.00 34.31 O ATOM 34 CB MET A 3 45.107 18.690 -17.571 1.00 4.41 C ATOM 35 CG MET A 3 44.858 19.833 -18.549 1.00 4.23 C ATOM 36 SD MET A 3 46.378 20.651 -19.081 1.00 74.14 S ATOM 37 CE MET A 3 46.947 21.338 -17.525 1.00 0.22 C ATOM 0 H MET A 3 46.330 17.823 -20.104 1.00 61.44 H new ATOM 0 HA MET A 3 45.885 16.702 -17.435 1.00 24.31 H new ATOM 0 HB2 MET A 3 44.199 18.521 -16.993 1.00 4.41 H new ATOM 0 HB3 MET A 3 45.881 18.995 -16.867 1.00 4.41 H new ATOM 0 HG2 MET A 3 44.334 19.448 -19.424 1.00 4.23 H new ATOM 0 HG3 MET A 3 44.201 20.567 -18.082 1.00 4.23 H new ATOM 0 HE1 MET A 3 47.566 22.214 -17.719 1.00 0.22 H new ATOM 0 HE2 MET A 3 46.088 21.628 -16.919 1.00 0.22 H new ATOM 0 HE3 MET A 3 47.533 20.591 -16.990 1.00 0.22 H new ATOM 47 N LYS A 4 44.166 15.417 -18.622 1.00 71.04 N ATOM 48 CA LYS A 4 43.035 14.655 -19.130 1.00 63.13 C ATOM 49 C LYS A 4 42.365 13.921 -17.977 1.00 34.32 C ATOM 50 O LYS A 4 41.813 12.832 -18.144 1.00 61.34 O ATOM 51 CB LYS A 4 43.497 13.659 -20.200 1.00 2.31 C ATOM 52 CG LYS A 4 44.033 14.329 -21.456 1.00 74.04 C ATOM 53 CD LYS A 4 44.570 13.320 -22.458 1.00 60.41 C ATOM 54 CE LYS A 4 43.493 12.356 -22.938 1.00 51.00 C ATOM 55 NZ LYS A 4 42.349 13.063 -23.572 1.00 45.51 N ATOM 0 H LYS A 4 44.798 14.878 -18.030 1.00 71.04 H new ATOM 0 HA LYS A 4 42.319 15.337 -19.588 1.00 63.13 H new ATOM 0 HB2 LYS A 4 44.272 13.019 -19.779 1.00 2.31 H new ATOM 0 HB3 LYS A 4 42.662 13.013 -20.470 1.00 2.31 H new ATOM 0 HG2 LYS A 4 43.239 14.914 -21.921 1.00 74.04 H new ATOM 0 HG3 LYS A 4 44.825 15.026 -21.184 1.00 74.04 H new ATOM 0 HD2 LYS A 4 44.990 13.849 -23.314 1.00 60.41 H new ATOM 0 HD3 LYS A 4 45.383 12.755 -22.002 1.00 60.41 H new ATOM 0 HE2 LYS A 4 43.926 11.656 -23.652 1.00 51.00 H new ATOM 0 HE3 LYS A 4 43.132 11.768 -22.094 1.00 51.00 H new ATOM 0 HZ1 LYS A 4 41.725 12.370 -24.032 1.00 45.51 H new ATOM 0 HZ2 LYS A 4 41.815 13.581 -22.845 1.00 45.51 H new ATOM 0 HZ3 LYS A 4 42.706 13.733 -24.283 1.00 45.51 H new ATOM 69 N ASP A 5 42.395 14.550 -16.809 1.00 4.40 N ATOM 70 CA ASP A 5 41.901 13.933 -15.586 1.00 70.35 C ATOM 71 C ASP A 5 40.386 14.087 -15.451 1.00 44.35 C ATOM 72 O ASP A 5 39.867 15.147 -15.105 1.00 73.04 O ATOM 73 CB ASP A 5 42.627 14.503 -14.353 1.00 43.14 C ATOM 74 CG ASP A 5 42.419 15.994 -14.151 1.00 12.22 C ATOM 75 OD1 ASP A 5 43.004 16.796 -14.915 1.00 74.42 O ATOM 76 OD2 ASP A 5 41.679 16.373 -13.223 1.00 24.25 O ATOM 0 H ASP A 5 42.759 15.494 -16.683 1.00 4.40 H new ATOM 0 HA ASP A 5 42.116 12.866 -15.644 1.00 70.35 H new ATOM 0 HB2 ASP A 5 42.283 13.974 -13.464 1.00 43.14 H new ATOM 0 HB3 ASP A 5 43.695 14.305 -14.448 1.00 43.14 H new ATOM 81 N VAL A 6 39.687 13.011 -15.777 1.00 14.52 N ATOM 82 CA VAL A 6 38.240 12.922 -15.609 1.00 63.33 C ATOM 83 C VAL A 6 37.869 11.518 -15.162 1.00 61.12 C ATOM 84 O VAL A 6 36.817 10.982 -15.521 1.00 10.31 O ATOM 85 CB VAL A 6 37.482 13.243 -16.913 1.00 41.41 C ATOM 86 CG1 VAL A 6 37.458 14.741 -17.176 1.00 14.24 C ATOM 87 CG2 VAL A 6 38.092 12.496 -18.093 1.00 53.55 C ATOM 0 H VAL A 6 40.108 12.168 -16.168 1.00 14.52 H new ATOM 0 HA VAL A 6 37.952 13.659 -14.859 1.00 63.33 H new ATOM 0 HB VAL A 6 36.452 12.906 -16.794 1.00 41.41 H new ATOM 0 HG11 VAL A 6 36.917 14.939 -18.101 1.00 14.24 H new ATOM 0 HG12 VAL A 6 36.960 15.248 -16.349 1.00 14.24 H new ATOM 0 HG13 VAL A 6 38.479 15.111 -17.266 1.00 14.24 H new ATOM 0 HG21 VAL A 6 37.541 12.738 -19.001 1.00 53.55 H new ATOM 0 HG22 VAL A 6 39.134 12.792 -18.211 1.00 53.55 H new ATOM 0 HG23 VAL A 6 38.038 11.423 -17.911 1.00 53.55 H new ATOM 97 N VAL A 7 38.737 10.946 -14.355 1.00 12.21 N ATOM 98 CA VAL A 7 38.640 9.546 -13.975 1.00 11.14 C ATOM 99 C VAL A 7 37.729 9.355 -12.768 1.00 31.14 C ATOM 100 O VAL A 7 38.158 9.499 -11.622 1.00 53.25 O ATOM 101 CB VAL A 7 40.030 8.953 -13.658 1.00 30.23 C ATOM 102 CG1 VAL A 7 39.932 7.461 -13.373 1.00 22.52 C ATOM 103 CG2 VAL A 7 41.001 9.220 -14.796 1.00 44.32 C ATOM 0 H VAL A 7 39.531 11.435 -13.942 1.00 12.21 H new ATOM 0 HA VAL A 7 38.212 9.020 -14.828 1.00 11.14 H new ATOM 0 HB VAL A 7 40.410 9.444 -12.762 1.00 30.23 H new ATOM 0 HG11 VAL A 7 40.924 7.067 -13.153 1.00 22.52 H new ATOM 0 HG12 VAL A 7 39.278 7.296 -12.517 1.00 22.52 H new ATOM 0 HG13 VAL A 7 39.524 6.950 -14.245 1.00 22.52 H new ATOM 0 HG21 VAL A 7 41.974 8.794 -14.552 1.00 44.32 H new ATOM 0 HG22 VAL A 7 40.624 8.763 -15.711 1.00 44.32 H new ATOM 0 HG23 VAL A 7 41.103 10.295 -14.943 1.00 44.32 H new ATOM 113 N ASP A 8 36.469 9.062 -13.035 1.00 21.10 N ATOM 114 CA ASP A 8 35.531 8.681 -11.991 1.00 13.21 C ATOM 115 C ASP A 8 34.549 7.679 -12.552 1.00 13.34 C ATOM 116 O ASP A 8 34.223 7.710 -13.743 1.00 11.11 O ATOM 117 CB ASP A 8 34.785 9.897 -11.413 1.00 0.20 C ATOM 118 CG ASP A 8 33.632 10.369 -12.281 1.00 73.22 C ATOM 119 OD1 ASP A 8 33.872 11.136 -13.237 1.00 15.11 O ATOM 120 OD2 ASP A 8 32.474 9.981 -12.005 1.00 41.44 O ATOM 0 H ASP A 8 36.068 9.081 -13.973 1.00 21.10 H new ATOM 0 HA ASP A 8 36.093 8.234 -11.171 1.00 13.21 H new ATOM 0 HB2 ASP A 8 34.404 9.643 -10.424 1.00 0.20 H new ATOM 0 HB3 ASP A 8 35.490 10.718 -11.282 1.00 0.20 H new ATOM 125 N LYS A 9 34.105 6.777 -11.703 1.00 14.14 N ATOM 126 CA LYS A 9 33.222 5.714 -12.121 1.00 22.21 C ATOM 127 C LYS A 9 32.017 5.629 -11.191 1.00 41.15 C ATOM 128 O LYS A 9 32.033 4.950 -10.162 1.00 45.12 O ATOM 129 CB LYS A 9 33.989 4.388 -12.198 1.00 5.01 C ATOM 130 CG LYS A 9 34.750 4.019 -10.932 1.00 70.14 C ATOM 131 CD LYS A 9 35.598 2.777 -11.146 1.00 13.24 C ATOM 132 CE LYS A 9 36.753 3.057 -12.094 1.00 34.01 C ATOM 133 NZ LYS A 9 37.460 1.816 -12.493 1.00 33.41 N ATOM 0 H LYS A 9 34.345 6.761 -10.712 1.00 14.14 H new ATOM 0 HA LYS A 9 32.844 5.930 -13.120 1.00 22.21 H new ATOM 0 HB2 LYS A 9 33.284 3.589 -12.428 1.00 5.01 H new ATOM 0 HB3 LYS A 9 34.694 4.439 -13.028 1.00 5.01 H new ATOM 0 HG2 LYS A 9 35.387 4.851 -10.632 1.00 70.14 H new ATOM 0 HG3 LYS A 9 34.046 3.847 -10.118 1.00 70.14 H new ATOM 0 HD2 LYS A 9 35.986 2.429 -10.189 1.00 13.24 H new ATOM 0 HD3 LYS A 9 34.979 1.976 -11.549 1.00 13.24 H new ATOM 0 HE2 LYS A 9 36.377 3.562 -12.984 1.00 34.01 H new ATOM 0 HE3 LYS A 9 37.458 3.737 -11.616 1.00 34.01 H new ATOM 0 HZ1 LYS A 9 38.240 2.053 -13.139 1.00 33.41 H new ATOM 0 HZ2 LYS A 9 37.842 1.347 -11.647 1.00 33.41 H new ATOM 0 HZ3 LYS A 9 36.795 1.177 -12.973 1.00 33.41 H new ATOM 147 N CYS A 10 30.983 6.360 -11.558 1.00 22.41 N ATOM 148 CA CYS A 10 29.777 6.449 -10.762 1.00 13.52 C ATOM 149 C CYS A 10 28.668 5.585 -11.348 1.00 1.45 C ATOM 150 O CYS A 10 28.162 5.855 -12.439 1.00 63.42 O ATOM 151 CB CYS A 10 29.340 7.909 -10.683 1.00 14.14 C ATOM 152 SG CYS A 10 29.715 8.858 -12.180 1.00 53.44 S ATOM 0 H CYS A 10 30.956 6.909 -12.417 1.00 22.41 H new ATOM 0 HA CYS A 10 29.983 6.076 -9.759 1.00 13.52 H new ATOM 0 HB2 CYS A 10 28.267 7.949 -10.496 1.00 14.14 H new ATOM 0 HB3 CYS A 10 29.830 8.381 -9.831 1.00 14.14 H new ATOM 0 HG CYS A 10 30.776 9.582 -11.980 1.00 53.44 H new ATOM 158 N SER A 11 28.315 4.536 -10.625 1.00 33.25 N ATOM 159 CA SER A 11 27.222 3.667 -11.022 1.00 1.00 C ATOM 160 C SER A 11 26.461 3.195 -9.790 1.00 11.35 C ATOM 161 O SER A 11 26.818 2.193 -9.161 1.00 33.25 O ATOM 162 CB SER A 11 27.745 2.471 -11.826 1.00 51.25 C ATOM 163 OG SER A 11 26.681 1.645 -12.272 1.00 31.31 O ATOM 0 H SER A 11 28.773 4.265 -9.755 1.00 33.25 H new ATOM 0 HA SER A 11 26.541 4.230 -11.661 1.00 1.00 H new ATOM 0 HB2 SER A 11 28.315 2.828 -12.684 1.00 51.25 H new ATOM 0 HB3 SER A 11 28.428 1.887 -11.210 1.00 51.25 H new ATOM 0 HG SER A 11 27.044 0.892 -12.783 1.00 31.31 H new ATOM 169 N THR A 12 25.437 3.945 -9.423 1.00 64.42 N ATOM 170 CA THR A 12 24.614 3.603 -8.285 1.00 33.23 C ATOM 171 C THR A 12 23.280 3.048 -8.757 1.00 4.14 C ATOM 172 O THR A 12 22.659 3.586 -9.680 1.00 24.02 O ATOM 173 CB THR A 12 24.382 4.822 -7.363 1.00 0.14 C ATOM 174 OG1 THR A 12 23.870 5.928 -8.116 1.00 71.35 O ATOM 175 CG2 THR A 12 25.673 5.232 -6.672 1.00 64.43 C ATOM 0 H THR A 12 25.157 4.800 -9.903 1.00 64.42 H new ATOM 0 HA THR A 12 25.141 2.843 -7.708 1.00 33.23 H new ATOM 0 HB THR A 12 23.653 4.535 -6.605 1.00 0.14 H new ATOM 0 HG1 THR A 12 23.726 6.692 -7.519 1.00 71.35 H new ATOM 0 HG21 THR A 12 25.484 6.092 -6.029 1.00 64.43 H new ATOM 0 HG22 THR A 12 26.043 4.402 -6.070 1.00 64.43 H new ATOM 0 HG23 THR A 12 26.419 5.497 -7.422 1.00 64.43 H new ATOM 183 N LYS A 13 22.868 1.955 -8.154 1.00 32.22 N ATOM 184 CA LYS A 13 21.601 1.330 -8.489 1.00 3.12 C ATOM 185 C LYS A 13 20.512 1.833 -7.554 1.00 51.42 C ATOM 186 O LYS A 13 19.424 2.209 -7.993 1.00 74.40 O ATOM 187 CB LYS A 13 21.729 -0.191 -8.399 1.00 12.43 C ATOM 188 CG LYS A 13 20.466 -0.946 -8.778 1.00 2.43 C ATOM 189 CD LYS A 13 20.665 -2.457 -8.728 1.00 24.14 C ATOM 190 CE LYS A 13 21.466 -2.986 -9.916 1.00 51.35 C ATOM 191 NZ LYS A 13 22.916 -2.663 -9.835 1.00 51.13 N ATOM 0 H LYS A 13 23.394 1.475 -7.423 1.00 32.22 H new ATOM 0 HA LYS A 13 21.329 1.594 -9.511 1.00 3.12 H new ATOM 0 HB2 LYS A 13 22.541 -0.515 -9.049 1.00 12.43 H new ATOM 0 HB3 LYS A 13 22.009 -0.461 -7.381 1.00 12.43 H new ATOM 0 HG2 LYS A 13 19.659 -0.664 -8.102 1.00 2.43 H new ATOM 0 HG3 LYS A 13 20.157 -0.654 -9.782 1.00 2.43 H new ATOM 0 HD2 LYS A 13 21.177 -2.721 -7.803 1.00 24.14 H new ATOM 0 HD3 LYS A 13 19.692 -2.947 -8.704 1.00 24.14 H new ATOM 0 HE2 LYS A 13 21.344 -4.068 -9.976 1.00 51.35 H new ATOM 0 HE3 LYS A 13 21.058 -2.568 -10.836 1.00 51.35 H new ATOM 0 HZ1 LYS A 13 23.472 -3.480 -10.160 1.00 51.13 H new ATOM 0 HZ2 LYS A 13 23.123 -1.841 -10.438 1.00 51.13 H new ATOM 0 HZ3 LYS A 13 23.168 -2.442 -8.851 1.00 51.13 H new ATOM 205 N GLY A 14 20.822 1.856 -6.268 1.00 41.34 N ATOM 206 CA GLY A 14 19.875 2.333 -5.284 1.00 22.02 C ATOM 207 C GLY A 14 19.161 1.200 -4.578 1.00 74.32 C ATOM 208 O GLY A 14 19.793 0.419 -3.866 1.00 30.22 O ATOM 0 H GLY A 14 21.718 1.551 -5.887 1.00 41.34 H new ATOM 0 HA2 GLY A 14 20.396 2.946 -4.548 1.00 22.02 H new ATOM 0 HA3 GLY A 14 19.141 2.975 -5.771 1.00 22.02 H new ATOM 212 N CYS A 15 17.840 1.124 -4.770 1.00 45.14 N ATOM 213 CA CYS A 15 17.007 0.070 -4.184 1.00 34.12 C ATOM 214 C CYS A 15 16.909 0.214 -2.659 1.00 25.44 C ATOM 215 O CYS A 15 16.309 -0.621 -1.980 1.00 64.31 O ATOM 216 CB CYS A 15 17.551 -1.318 -4.567 1.00 11.22 C ATOM 217 SG CYS A 15 16.561 -2.707 -3.971 1.00 1.34 S ATOM 0 H CYS A 15 17.318 1.792 -5.337 1.00 45.14 H new ATOM 0 HA CYS A 15 16.000 0.174 -4.589 1.00 34.12 H new ATOM 0 HB2 CYS A 15 17.621 -1.379 -5.653 1.00 11.22 H new ATOM 0 HB3 CYS A 15 18.564 -1.417 -4.176 1.00 11.22 H new ATOM 0 HG CYS A 15 15.984 -2.380 -2.853 1.00 1.34 H new ATOM 223 N ALA A 16 17.462 1.296 -2.128 1.00 1.33 N ATOM 224 CA ALA A 16 17.490 1.509 -0.690 1.00 34.24 C ATOM 225 C ALA A 16 16.242 2.242 -0.214 1.00 45.53 C ATOM 226 O ALA A 16 16.159 3.466 -0.324 1.00 24.52 O ATOM 227 CB ALA A 16 18.742 2.275 -0.290 1.00 25.22 C ATOM 0 H ALA A 16 17.897 2.040 -2.673 1.00 1.33 H new ATOM 0 HA ALA A 16 17.508 0.532 -0.208 1.00 34.24 H new ATOM 0 HB1 ALA A 16 18.747 2.426 0.790 1.00 25.22 H new ATOM 0 HB2 ALA A 16 19.625 1.706 -0.581 1.00 25.22 H new ATOM 0 HB3 ALA A 16 18.752 3.243 -0.792 1.00 25.22 H new ATOM 233 N ILE A 17 15.273 1.474 0.293 1.00 25.21 N ATOM 234 CA ILE A 17 14.038 2.013 0.871 1.00 75.45 C ATOM 235 C ILE A 17 13.128 2.613 -0.208 1.00 74.35 C ATOM 236 O ILE A 17 13.583 3.341 -1.088 1.00 65.00 O ATOM 237 CB ILE A 17 14.326 3.083 1.957 1.00 44.44 C ATOM 238 CG1 ILE A 17 15.343 2.567 2.984 1.00 34.12 C ATOM 239 CG2 ILE A 17 13.041 3.492 2.662 1.00 35.41 C ATOM 240 CD1 ILE A 17 14.891 1.335 3.742 1.00 24.52 C ATOM 0 H ILE A 17 15.323 0.455 0.314 1.00 25.21 H new ATOM 0 HA ILE A 17 13.526 1.173 1.340 1.00 75.45 H new ATOM 0 HB ILE A 17 14.749 3.955 1.459 1.00 44.44 H new ATOM 0 HG12 ILE A 17 16.278 2.341 2.471 1.00 34.12 H new ATOM 0 HG13 ILE A 17 15.556 3.362 3.699 1.00 34.12 H new ATOM 0 HG21 ILE A 17 13.265 4.243 3.420 1.00 35.41 H new ATOM 0 HG22 ILE A 17 12.343 3.907 1.935 1.00 35.41 H new ATOM 0 HG23 ILE A 17 12.593 2.619 3.137 1.00 35.41 H new ATOM 0 HD11 ILE A 17 15.667 1.036 4.447 1.00 24.52 H new ATOM 0 HD12 ILE A 17 13.973 1.559 4.286 1.00 24.52 H new ATOM 0 HD13 ILE A 17 14.707 0.522 3.039 1.00 24.52 H new ATOM 252 N ASP A 18 11.838 2.305 -0.140 1.00 5.25 N ATOM 253 CA ASP A 18 10.883 2.820 -1.124 1.00 52.41 C ATOM 254 C ASP A 18 10.704 4.325 -0.954 1.00 10.22 C ATOM 255 O ASP A 18 10.880 5.095 -1.899 1.00 71.40 O ATOM 256 CB ASP A 18 9.527 2.119 -0.993 1.00 23.11 C ATOM 257 CG ASP A 18 8.610 2.398 -2.174 1.00 52.44 C ATOM 258 OD1 ASP A 18 8.125 3.539 -2.316 1.00 2.23 O ATOM 259 OD2 ASP A 18 8.371 1.465 -2.973 1.00 43.24 O ATOM 0 H ASP A 18 11.428 1.707 0.578 1.00 5.25 H new ATOM 0 HA ASP A 18 11.284 2.617 -2.117 1.00 52.41 H new ATOM 0 HB2 ASP A 18 9.684 1.044 -0.906 1.00 23.11 H new ATOM 0 HB3 ASP A 18 9.040 2.446 -0.074 1.00 23.11 H new ATOM 264 N ILE A 19 10.365 4.740 0.259 1.00 4.22 N ATOM 265 CA ILE A 19 10.162 6.153 0.549 1.00 45.03 C ATOM 266 C ILE A 19 11.257 6.667 1.472 1.00 5.31 C ATOM 267 O ILE A 19 12.175 7.371 1.057 1.00 23.20 O ATOM 268 CB ILE A 19 8.815 6.411 1.256 1.00 63.04 C ATOM 269 CG1 ILE A 19 7.711 5.521 0.690 1.00 75.31 C ATOM 270 CG2 ILE A 19 8.430 7.879 1.132 1.00 1.50 C ATOM 271 CD1 ILE A 19 6.404 5.651 1.438 1.00 1.31 C ATOM 0 H ILE A 19 10.225 4.120 1.057 1.00 4.22 H new ATOM 0 HA ILE A 19 10.177 6.669 -0.411 1.00 45.03 H new ATOM 0 HB ILE A 19 8.934 6.163 2.311 1.00 63.04 H new ATOM 0 HG12 ILE A 19 7.550 5.774 -0.358 1.00 75.31 H new ATOM 0 HG13 ILE A 19 8.039 4.482 0.720 1.00 75.31 H new ATOM 0 HG21 ILE A 19 7.478 8.049 1.635 1.00 1.50 H new ATOM 0 HG22 ILE A 19 9.200 8.497 1.594 1.00 1.50 H new ATOM 0 HG23 ILE A 19 8.336 8.143 0.079 1.00 1.50 H new ATOM 0 HD11 ILE A 19 5.660 4.994 0.988 1.00 1.31 H new ATOM 0 HD12 ILE A 19 6.552 5.371 2.481 1.00 1.31 H new ATOM 0 HD13 ILE A 19 6.056 6.683 1.386 1.00 1.31 H new ATOM 283 N GLY A 20 11.140 6.278 2.732 1.00 50.20 N ATOM 284 CA GLY A 20 12.021 6.763 3.772 1.00 11.24 C ATOM 285 C GLY A 20 11.311 6.732 5.103 1.00 12.25 C ATOM 286 O GLY A 20 11.927 6.582 6.158 1.00 12.12 O ATOM 0 H GLY A 20 10.433 5.619 3.057 1.00 50.20 H new ATOM 0 HA2 GLY A 20 12.920 6.148 3.815 1.00 11.24 H new ATOM 0 HA3 GLY A 20 12.341 7.780 3.544 1.00 11.24 H new ATOM 290 N THR A 21 9.997 6.880 5.039 1.00 72.43 N ATOM 291 CA THR A 21 9.147 6.740 6.204 1.00 32.10 C ATOM 292 C THR A 21 8.776 5.271 6.384 1.00 22.42 C ATOM 293 O THR A 21 8.382 4.610 5.422 1.00 54.13 O ATOM 294 CB THR A 21 7.860 7.564 6.038 1.00 40.12 C ATOM 295 OG1 THR A 21 8.139 8.773 5.315 1.00 73.51 O ATOM 296 CG2 THR A 21 7.263 7.907 7.392 1.00 30.20 C ATOM 0 H THR A 21 9.494 7.100 4.179 1.00 72.43 H new ATOM 0 HA THR A 21 9.690 7.103 7.077 1.00 32.10 H new ATOM 0 HB THR A 21 7.141 6.965 5.479 1.00 40.12 H new ATOM 0 HG1 THR A 21 7.313 9.291 5.212 1.00 73.51 H new ATOM 0 HG21 THR A 21 6.353 8.490 7.251 1.00 30.20 H new ATOM 0 HG22 THR A 21 7.026 6.988 7.928 1.00 30.20 H new ATOM 0 HG23 THR A 21 7.981 8.489 7.969 1.00 30.20 H new ATOM 304 N VAL A 22 8.936 4.753 7.592 1.00 71.55 N ATOM 305 CA VAL A 22 8.596 3.368 7.866 1.00 52.34 C ATOM 306 C VAL A 22 7.536 3.264 8.955 1.00 43.23 C ATOM 307 O VAL A 22 7.139 4.272 9.547 1.00 20.24 O ATOM 308 CB VAL A 22 9.836 2.548 8.282 1.00 2.34 C ATOM 309 CG1 VAL A 22 10.819 2.436 7.127 1.00 55.13 C ATOM 310 CG2 VAL A 22 10.512 3.157 9.505 1.00 23.42 C ATOM 0 H VAL A 22 9.298 5.269 8.394 1.00 71.55 H new ATOM 0 HA VAL A 22 8.198 2.955 6.939 1.00 52.34 H new ATOM 0 HB VAL A 22 9.501 1.545 8.547 1.00 2.34 H new ATOM 0 HG11 VAL A 22 11.685 1.854 7.442 1.00 55.13 H new ATOM 0 HG12 VAL A 22 10.336 1.941 6.285 1.00 55.13 H new ATOM 0 HG13 VAL A 22 11.141 3.433 6.825 1.00 55.13 H new ATOM 0 HG21 VAL A 22 11.382 2.559 9.775 1.00 23.42 H new ATOM 0 HG22 VAL A 22 10.828 4.175 9.277 1.00 23.42 H new ATOM 0 HG23 VAL A 22 9.810 3.173 10.338 1.00 23.42 H new ATOM 320 N ILE A 23 7.106 2.032 9.217 1.00 45.15 N ATOM 321 CA ILE A 23 6.078 1.736 10.209 1.00 44.44 C ATOM 322 C ILE A 23 4.719 2.310 9.791 1.00 70.03 C ATOM 323 O ILE A 23 4.283 3.362 10.261 1.00 64.34 O ATOM 324 CB ILE A 23 6.470 2.225 11.621 1.00 44.11 C ATOM 325 CG1 ILE A 23 7.800 1.588 12.040 1.00 62.13 C ATOM 326 CG2 ILE A 23 5.377 1.887 12.634 1.00 62.34 C ATOM 327 CD1 ILE A 23 8.319 2.076 13.377 1.00 74.40 C ATOM 0 H ILE A 23 7.465 1.204 8.742 1.00 45.15 H new ATOM 0 HA ILE A 23 5.990 0.651 10.256 1.00 44.44 H new ATOM 0 HB ILE A 23 6.585 3.309 11.596 1.00 44.11 H new ATOM 0 HG12 ILE A 23 7.676 0.506 12.082 1.00 62.13 H new ATOM 0 HG13 ILE A 23 8.548 1.794 11.274 1.00 62.13 H new ATOM 0 HG21 ILE A 23 5.674 2.240 13.621 1.00 62.34 H new ATOM 0 HG22 ILE A 23 4.446 2.372 12.340 1.00 62.34 H new ATOM 0 HG23 ILE A 23 5.230 0.807 12.664 1.00 62.34 H new ATOM 0 HD11 ILE A 23 9.263 1.580 13.604 1.00 74.40 H new ATOM 0 HD12 ILE A 23 8.477 3.154 13.335 1.00 74.40 H new ATOM 0 HD13 ILE A 23 7.592 1.846 14.156 1.00 74.40 H new ATOM 339 N ASP A 24 4.085 1.610 8.862 1.00 0.31 N ATOM 340 CA ASP A 24 2.733 1.929 8.422 1.00 31.22 C ATOM 341 C ASP A 24 1.887 0.667 8.484 1.00 21.24 C ATOM 342 O ASP A 24 0.849 0.559 7.837 1.00 24.44 O ATOM 343 CB ASP A 24 2.738 2.484 6.989 1.00 24.22 C ATOM 344 CG ASP A 24 3.177 3.935 6.905 1.00 42.14 C ATOM 345 OD1 ASP A 24 4.393 4.198 6.959 1.00 65.44 O ATOM 346 OD2 ASP A 24 2.298 4.818 6.770 1.00 25.21 O ATOM 0 H ASP A 24 4.494 0.803 8.391 1.00 0.31 H new ATOM 0 HA ASP A 24 2.316 2.694 9.078 1.00 31.22 H new ATOM 0 HB2 ASP A 24 3.401 1.876 6.374 1.00 24.22 H new ATOM 0 HB3 ASP A 24 1.737 2.390 6.568 1.00 24.22 H new ATOM 351 N ASN A 25 2.347 -0.283 9.287 1.00 12.11 N ATOM 352 CA ASN A 25 1.722 -1.593 9.375 1.00 75.25 C ATOM 353 C ASN A 25 0.540 -1.584 10.333 1.00 50.04 C ATOM 354 O ASN A 25 0.410 -0.697 11.174 1.00 20.31 O ATOM 355 CB ASN A 25 2.751 -2.646 9.805 1.00 13.04 C ATOM 356 CG ASN A 25 3.463 -2.293 11.098 1.00 54.44 C ATOM 357 OD1 ASN A 25 4.444 -1.546 11.090 1.00 10.22 O ATOM 358 ND2 ASN A 25 3.004 -2.845 12.209 1.00 3.32 N ATOM 0 H ASN A 25 3.160 -0.167 9.892 1.00 12.11 H new ATOM 0 HA ASN A 25 1.345 -1.850 8.385 1.00 75.25 H new ATOM 0 HB2 ASN A 25 2.250 -3.607 9.924 1.00 13.04 H new ATOM 0 HB3 ASN A 25 3.490 -2.768 9.013 1.00 13.04 H new ATOM 0 HD21 ASN A 25 3.465 -2.658 13.100 1.00 3.32 H new ATOM 0 HD22 ASN A 25 2.189 -3.458 12.175 1.00 3.32 H new ATOM 365 N ASP A 26 -0.317 -2.583 10.188 1.00 34.24 N ATOM 366 CA ASP A 26 -1.524 -2.705 10.996 1.00 24.10 C ATOM 367 C ASP A 26 -1.957 -4.164 11.050 1.00 40.12 C ATOM 368 O ASP A 26 -1.965 -4.787 12.110 1.00 51.34 O ATOM 369 CB ASP A 26 -2.647 -1.847 10.404 1.00 45.34 C ATOM 370 CG ASP A 26 -3.969 -2.039 11.122 1.00 41.04 C ATOM 371 OD1 ASP A 26 -4.176 -1.411 12.179 1.00 15.14 O ATOM 372 OD2 ASP A 26 -4.808 -2.820 10.631 1.00 72.03 O ATOM 0 H ASP A 26 -0.197 -3.333 9.507 1.00 34.24 H new ATOM 0 HA ASP A 26 -1.313 -2.354 12.006 1.00 24.10 H new ATOM 0 HB2 ASP A 26 -2.361 -0.796 10.453 1.00 45.34 H new ATOM 0 HB3 ASP A 26 -2.771 -2.095 9.350 1.00 45.34 H new ATOM 377 N ASN A 27 -2.303 -4.702 9.888 1.00 14.31 N ATOM 378 CA ASN A 27 -2.655 -6.108 9.751 1.00 4.32 C ATOM 379 C ASN A 27 -2.105 -6.641 8.436 1.00 63.44 C ATOM 380 O ASN A 27 -1.344 -5.948 7.762 1.00 60.21 O ATOM 381 CB ASN A 27 -4.176 -6.298 9.798 1.00 43.34 C ATOM 382 CG ASN A 27 -4.721 -6.361 11.214 1.00 64.32 C ATOM 383 OD1 ASN A 27 -4.798 -7.435 11.809 1.00 44.34 O ATOM 384 ND2 ASN A 27 -5.107 -5.222 11.761 1.00 10.33 N ATOM 0 H ASN A 27 -2.347 -4.176 9.015 1.00 14.31 H new ATOM 0 HA ASN A 27 -2.218 -6.661 10.583 1.00 4.32 H new ATOM 0 HB2 ASN A 27 -4.656 -5.477 9.266 1.00 43.34 H new ATOM 0 HB3 ASN A 27 -4.439 -7.216 9.272 1.00 43.34 H new ATOM 0 HD21 ASN A 27 -5.484 -5.213 12.709 1.00 10.33 H new ATOM 0 HD22 ASN A 27 -5.028 -4.351 11.236 1.00 10.33 H new ATOM 391 N CYS A 28 -2.470 -7.864 8.077 1.00 33.15 N ATOM 392 CA CYS A 28 -2.087 -8.420 6.784 1.00 63.14 C ATOM 393 C CYS A 28 -3.071 -7.955 5.718 1.00 13.44 C ATOM 394 O CYS A 28 -2.804 -8.024 4.516 1.00 63.41 O ATOM 395 CB CYS A 28 -2.047 -9.948 6.845 1.00 20.01 C ATOM 396 SG CYS A 28 -0.928 -10.605 8.103 1.00 22.24 S ATOM 0 H CYS A 28 -3.028 -8.489 8.659 1.00 33.15 H new ATOM 0 HA CYS A 28 -1.088 -8.066 6.528 1.00 63.14 H new ATOM 0 HB2 CYS A 28 -3.053 -10.320 7.039 1.00 20.01 H new ATOM 0 HB3 CYS A 28 -1.747 -10.332 5.870 1.00 20.01 H new ATOM 0 HG CYS A 28 -0.964 -11.904 8.080 1.00 22.24 H new ATOM 402 N THR A 29 -4.216 -7.475 6.181 1.00 34.42 N ATOM 403 CA THR A 29 -5.226 -6.914 5.304 1.00 43.33 C ATOM 404 C THR A 29 -5.216 -5.393 5.406 1.00 42.22 C ATOM 405 O THR A 29 -5.390 -4.835 6.490 1.00 13.34 O ATOM 406 CB THR A 29 -6.631 -7.436 5.663 1.00 1.51 C ATOM 407 OG1 THR A 29 -6.627 -8.870 5.690 1.00 2.45 O ATOM 408 CG2 THR A 29 -7.668 -6.948 4.657 1.00 44.20 C ATOM 0 H THR A 29 -4.468 -7.464 7.169 1.00 34.42 H new ATOM 0 HA THR A 29 -4.991 -7.221 4.285 1.00 43.33 H new ATOM 0 HB THR A 29 -6.895 -7.051 6.648 1.00 1.51 H new ATOM 0 HG1 THR A 29 -7.522 -9.195 5.920 1.00 2.45 H new ATOM 0 HG21 THR A 29 -8.651 -7.330 4.933 1.00 44.20 H new ATOM 0 HG22 THR A 29 -7.690 -5.858 4.656 1.00 44.20 H new ATOM 0 HG23 THR A 29 -7.406 -7.306 3.661 1.00 44.20 H new ATOM 416 N SER A 30 -4.996 -4.728 4.285 1.00 44.14 N ATOM 417 CA SER A 30 -4.993 -3.278 4.252 1.00 3.22 C ATOM 418 C SER A 30 -6.274 -2.778 3.599 1.00 2.23 C ATOM 419 O SER A 30 -6.698 -3.301 2.566 1.00 11.23 O ATOM 420 CB SER A 30 -3.765 -2.767 3.492 1.00 30.54 C ATOM 421 OG SER A 30 -3.592 -1.371 3.676 1.00 21.04 O ATOM 0 H SER A 30 -4.817 -5.172 3.384 1.00 44.14 H new ATOM 0 HA SER A 30 -4.946 -2.896 5.272 1.00 3.22 H new ATOM 0 HB2 SER A 30 -2.876 -3.295 3.836 1.00 30.54 H new ATOM 0 HB3 SER A 30 -3.874 -2.986 2.430 1.00 30.54 H new ATOM 0 HG SER A 30 -3.193 -0.982 2.870 1.00 21.04 H new ATOM 427 N LYS A 31 -6.907 -1.794 4.219 1.00 34.00 N ATOM 428 CA LYS A 31 -8.111 -1.199 3.664 1.00 40.13 C ATOM 429 C LYS A 31 -7.760 0.098 2.956 1.00 74.42 C ATOM 430 O LYS A 31 -7.371 1.078 3.589 1.00 14.04 O ATOM 431 CB LYS A 31 -9.139 -0.933 4.763 1.00 52.50 C ATOM 432 CG LYS A 31 -9.630 -2.192 5.463 1.00 61.54 C ATOM 433 CD LYS A 31 -10.350 -3.138 4.510 1.00 22.21 C ATOM 434 CE LYS A 31 -11.815 -2.759 4.298 1.00 25.22 C ATOM 435 NZ LYS A 31 -11.982 -1.398 3.722 1.00 42.03 N ATOM 0 H LYS A 31 -6.606 -1.391 5.107 1.00 34.00 H new ATOM 0 HA LYS A 31 -8.547 -1.896 2.948 1.00 40.13 H new ATOM 0 HB2 LYS A 31 -8.700 -0.264 5.504 1.00 52.50 H new ATOM 0 HB3 LYS A 31 -9.993 -0.413 4.330 1.00 52.50 H new ATOM 0 HG2 LYS A 31 -8.783 -2.709 5.914 1.00 61.54 H new ATOM 0 HG3 LYS A 31 -10.303 -1.915 6.275 1.00 61.54 H new ATOM 0 HD2 LYS A 31 -9.836 -3.139 3.549 1.00 22.21 H new ATOM 0 HD3 LYS A 31 -10.295 -4.154 4.902 1.00 22.21 H new ATOM 0 HE2 LYS A 31 -12.282 -3.488 3.636 1.00 25.22 H new ATOM 0 HE3 LYS A 31 -12.341 -2.812 5.251 1.00 25.22 H new ATOM 0 HZ1 LYS A 31 -12.918 -1.323 3.275 1.00 42.03 H new ATOM 0 HZ2 LYS A 31 -11.901 -0.689 4.478 1.00 42.03 H new ATOM 0 HZ3 LYS A 31 -11.244 -1.230 3.009 1.00 42.03 H new ATOM 449 N PHE A 32 -7.903 0.095 1.651 1.00 10.43 N ATOM 450 CA PHE A 32 -7.517 1.231 0.836 1.00 10.53 C ATOM 451 C PHE A 32 -8.743 1.839 0.166 1.00 1.41 C ATOM 452 O PHE A 32 -9.445 1.162 -0.584 1.00 1.31 O ATOM 453 CB PHE A 32 -6.498 0.776 -0.213 1.00 72.44 C ATOM 454 CG PHE A 32 -6.006 1.874 -1.111 1.00 61.40 C ATOM 455 CD1 PHE A 32 -5.138 2.842 -0.635 1.00 20.04 C ATOM 456 CD2 PHE A 32 -6.411 1.932 -2.433 1.00 62.22 C ATOM 457 CE1 PHE A 32 -4.682 3.851 -1.463 1.00 14.35 C ATOM 458 CE2 PHE A 32 -5.961 2.935 -3.263 1.00 50.32 C ATOM 459 CZ PHE A 32 -5.095 3.898 -2.779 1.00 43.14 C ATOM 0 H PHE A 32 -8.288 -0.689 1.124 1.00 10.43 H new ATOM 0 HA PHE A 32 -7.062 1.995 1.467 1.00 10.53 H new ATOM 0 HB2 PHE A 32 -5.644 0.329 0.296 1.00 72.44 H new ATOM 0 HB3 PHE A 32 -6.948 -0.005 -0.826 1.00 72.44 H new ATOM 0 HD1 PHE A 32 -4.814 2.809 0.395 1.00 20.04 H new ATOM 0 HD2 PHE A 32 -7.087 1.183 -2.818 1.00 62.22 H new ATOM 0 HE1 PHE A 32 -4.004 4.600 -1.081 1.00 14.35 H new ATOM 0 HE2 PHE A 32 -6.285 2.969 -4.293 1.00 50.32 H new ATOM 0 HZ PHE A 32 -4.743 4.685 -3.429 1.00 43.14 H new ATOM 469 N SER A 33 -9.007 3.106 0.454 1.00 10.04 N ATOM 470 CA SER A 33 -10.150 3.792 -0.126 1.00 23.44 C ATOM 471 C SER A 33 -9.710 4.934 -1.037 1.00 22.23 C ATOM 472 O SER A 33 -8.745 5.650 -0.755 1.00 51.43 O ATOM 473 CB SER A 33 -11.084 4.312 0.973 1.00 41.42 C ATOM 474 OG SER A 33 -10.356 4.960 2.008 1.00 2.10 O ATOM 0 H SER A 33 -8.445 3.678 1.085 1.00 10.04 H new ATOM 0 HA SER A 33 -10.696 3.070 -0.734 1.00 23.44 H new ATOM 0 HB2 SER A 33 -11.804 5.008 0.542 1.00 41.42 H new ATOM 0 HB3 SER A 33 -11.654 3.482 1.391 1.00 41.42 H new ATOM 0 HG SER A 33 -10.978 5.282 2.693 1.00 2.10 H new ATOM 480 N ARG A 34 -10.410 5.065 -2.152 1.00 51.23 N ATOM 481 CA ARG A 34 -10.200 6.152 -3.090 1.00 55.10 C ATOM 482 C ARG A 34 -11.542 6.656 -3.593 1.00 10.03 C ATOM 483 O ARG A 34 -12.478 5.876 -3.763 1.00 32.55 O ATOM 484 CB ARG A 34 -9.332 5.691 -4.260 1.00 23.21 C ATOM 485 CG ARG A 34 -7.845 5.697 -3.959 1.00 54.44 C ATOM 486 CD ARG A 34 -7.329 7.112 -3.752 1.00 14.10 C ATOM 487 NE ARG A 34 -5.920 7.137 -3.356 1.00 61.31 N ATOM 488 CZ ARG A 34 -5.031 8.022 -3.811 1.00 14.31 C ATOM 489 NH1 ARG A 34 -5.380 8.907 -4.739 1.00 13.24 N ATOM 490 NH2 ARG A 34 -3.786 8.011 -3.344 1.00 33.21 N ATOM 0 H ARG A 34 -11.144 4.415 -2.432 1.00 51.23 H new ATOM 0 HA ARG A 34 -9.680 6.964 -2.581 1.00 55.10 H new ATOM 0 HB2 ARG A 34 -9.631 4.683 -4.547 1.00 23.21 H new ATOM 0 HB3 ARG A 34 -9.522 6.336 -5.118 1.00 23.21 H new ATOM 0 HG2 ARG A 34 -7.650 5.102 -3.067 1.00 54.44 H new ATOM 0 HG3 ARG A 34 -7.304 5.227 -4.780 1.00 54.44 H new ATOM 0 HD2 ARG A 34 -7.455 7.681 -4.673 1.00 14.10 H new ATOM 0 HD3 ARG A 34 -7.928 7.607 -2.987 1.00 14.10 H new ATOM 0 HE ARG A 34 -5.598 6.434 -2.691 1.00 61.31 H new ATOM 0 HH11 ARG A 34 -6.331 8.912 -5.107 1.00 13.24 H new ATOM 0 HH12 ARG A 34 -4.697 9.581 -5.083 1.00 13.24 H new ATOM 0 HH21 ARG A 34 -3.512 7.327 -2.639 1.00 33.21 H new ATOM 0 HH22 ARG A 34 -3.105 8.687 -3.691 1.00 33.21 H new ATOM 504 N PHE A 35 -11.641 7.951 -3.820 1.00 21.44 N ATOM 505 CA PHE A 35 -12.901 8.550 -4.227 1.00 1.33 C ATOM 506 C PHE A 35 -12.788 9.118 -5.629 1.00 11.31 C ATOM 507 O PHE A 35 -11.853 9.858 -5.941 1.00 41.24 O ATOM 508 CB PHE A 35 -13.321 9.636 -3.235 1.00 71.02 C ATOM 509 CG PHE A 35 -13.466 9.125 -1.829 1.00 64.42 C ATOM 510 CD1 PHE A 35 -12.383 9.117 -0.965 1.00 24.21 C ATOM 511 CD2 PHE A 35 -14.682 8.640 -1.379 1.00 31.02 C ATOM 512 CE1 PHE A 35 -12.511 8.636 0.323 1.00 13.44 C ATOM 513 CE2 PHE A 35 -14.816 8.157 -0.092 1.00 5.44 C ATOM 514 CZ PHE A 35 -13.729 8.155 0.761 1.00 13.12 C ATOM 0 H PHE A 35 -10.867 8.609 -3.730 1.00 21.44 H new ATOM 0 HA PHE A 35 -13.669 7.776 -4.232 1.00 1.33 H new ATOM 0 HB2 PHE A 35 -12.583 10.438 -3.250 1.00 71.02 H new ATOM 0 HB3 PHE A 35 -14.268 10.068 -3.558 1.00 71.02 H new ATOM 0 HD1 PHE A 35 -11.428 9.491 -1.303 1.00 24.21 H new ATOM 0 HD2 PHE A 35 -15.535 8.639 -2.041 1.00 31.02 H new ATOM 0 HE1 PHE A 35 -11.659 8.636 0.987 1.00 13.44 H new ATOM 0 HE2 PHE A 35 -15.770 7.781 0.247 1.00 5.44 H new ATOM 0 HZ PHE A 35 -13.832 7.778 1.768 1.00 13.12 H new ATOM 524 N PHE A 36 -13.739 8.756 -6.470 1.00 3.45 N ATOM 525 CA PHE A 36 -13.718 9.152 -7.869 1.00 3.14 C ATOM 526 C PHE A 36 -15.068 9.709 -8.286 1.00 34.00 C ATOM 527 O PHE A 36 -16.027 9.674 -7.512 1.00 1.11 O ATOM 528 CB PHE A 36 -13.349 7.965 -8.764 1.00 23.14 C ATOM 529 CG PHE A 36 -11.934 7.489 -8.596 1.00 30.23 C ATOM 530 CD1 PHE A 36 -10.896 8.121 -9.262 1.00 34.14 C ATOM 531 CD2 PHE A 36 -11.640 6.414 -7.773 1.00 32.43 C ATOM 532 CE1 PHE A 36 -9.593 7.688 -9.113 1.00 4.43 C ATOM 533 CE2 PHE A 36 -10.338 5.978 -7.620 1.00 52.01 C ATOM 534 CZ PHE A 36 -9.313 6.615 -8.289 1.00 23.35 C ATOM 0 H PHE A 36 -14.542 8.184 -6.208 1.00 3.45 H new ATOM 0 HA PHE A 36 -12.962 9.928 -7.987 1.00 3.14 H new ATOM 0 HB2 PHE A 36 -14.027 7.138 -8.551 1.00 23.14 H new ATOM 0 HB3 PHE A 36 -13.506 8.246 -9.805 1.00 23.14 H new ATOM 0 HD1 PHE A 36 -11.108 8.962 -9.905 1.00 34.14 H new ATOM 0 HD2 PHE A 36 -12.437 5.911 -7.245 1.00 32.43 H new ATOM 0 HE1 PHE A 36 -8.794 8.188 -9.640 1.00 4.43 H new ATOM 0 HE2 PHE A 36 -10.122 5.138 -6.976 1.00 52.01 H new ATOM 0 HZ PHE A 36 -8.295 6.276 -8.169 1.00 23.35 H new ATOM 544 N ALA A 37 -15.132 10.218 -9.511 1.00 54.51 N ATOM 545 CA ALA A 37 -16.363 10.770 -10.055 1.00 64.33 C ATOM 546 C ALA A 37 -17.394 9.673 -10.285 1.00 12.01 C ATOM 547 O ALA A 37 -18.489 9.714 -9.730 1.00 32.34 O ATOM 548 CB ALA A 37 -16.077 11.517 -11.352 1.00 4.40 C ATOM 0 H ALA A 37 -14.338 10.259 -10.149 1.00 54.51 H new ATOM 0 HA ALA A 37 -16.775 11.473 -9.331 1.00 64.33 H new ATOM 0 HB1 ALA A 37 -17.006 11.925 -11.749 1.00 4.40 H new ATOM 0 HB2 ALA A 37 -15.377 12.330 -11.157 1.00 4.40 H new ATOM 0 HB3 ALA A 37 -15.642 10.831 -12.079 1.00 4.40 H new ATOM 554 N THR A 38 -17.036 8.684 -11.092 1.00 40.11 N ATOM 555 CA THR A 38 -17.947 7.594 -11.399 1.00 42.44 C ATOM 556 C THR A 38 -17.325 6.257 -11.025 1.00 61.23 C ATOM 557 O THR A 38 -16.105 6.156 -10.869 1.00 10.13 O ATOM 558 CB THR A 38 -18.332 7.579 -12.895 1.00 12.24 C ATOM 559 OG1 THR A 38 -17.154 7.522 -13.714 1.00 62.41 O ATOM 560 CG2 THR A 38 -19.147 8.810 -13.265 1.00 25.43 C ATOM 0 H THR A 38 -16.124 8.615 -11.544 1.00 40.11 H new ATOM 0 HA THR A 38 -18.851 7.753 -10.811 1.00 42.44 H new ATOM 0 HB THR A 38 -18.940 6.692 -13.071 1.00 12.24 H new ATOM 0 HG1 THR A 38 -17.397 7.687 -14.649 1.00 62.41 H new ATOM 0 HG21 THR A 38 -19.403 8.772 -14.324 1.00 25.43 H new ATOM 0 HG22 THR A 38 -20.061 8.834 -12.671 1.00 25.43 H new ATOM 0 HG23 THR A 38 -18.561 9.707 -13.066 1.00 25.43 H new ATOM 568 N ARG A 39 -18.166 5.237 -10.872 1.00 30.41 N ATOM 569 CA ARG A 39 -17.698 3.880 -10.604 1.00 41.44 C ATOM 570 C ARG A 39 -16.711 3.440 -11.679 1.00 24.02 C ATOM 571 O ARG A 39 -15.768 2.697 -11.410 1.00 32.23 O ATOM 572 CB ARG A 39 -18.889 2.918 -10.533 1.00 52.11 C ATOM 573 CG ARG A 39 -18.495 1.449 -10.540 1.00 55.31 C ATOM 574 CD ARG A 39 -19.698 0.541 -10.358 1.00 71.20 C ATOM 575 NE ARG A 39 -19.349 -0.871 -10.512 1.00 3.21 N ATOM 576 CZ ARG A 39 -19.915 -1.859 -9.820 1.00 2.14 C ATOM 577 NH1 ARG A 39 -20.835 -1.586 -8.901 1.00 21.22 N ATOM 578 NH2 ARG A 39 -19.568 -3.119 -10.052 1.00 71.31 N ATOM 0 H ARG A 39 -19.180 5.326 -10.930 1.00 30.41 H new ATOM 0 HA ARG A 39 -17.184 3.865 -9.643 1.00 41.44 H new ATOM 0 HB2 ARG A 39 -19.459 3.127 -9.628 1.00 52.11 H new ATOM 0 HB3 ARG A 39 -19.550 3.111 -11.378 1.00 52.11 H new ATOM 0 HG2 ARG A 39 -17.999 1.210 -11.481 1.00 55.31 H new ATOM 0 HG3 ARG A 39 -17.775 1.262 -9.743 1.00 55.31 H new ATOM 0 HD2 ARG A 39 -20.127 0.702 -9.369 1.00 71.20 H new ATOM 0 HD3 ARG A 39 -20.465 0.806 -11.086 1.00 71.20 H new ATOM 0 HE ARG A 39 -18.628 -1.114 -11.191 1.00 3.21 H new ATOM 0 HH11 ARG A 39 -21.109 -0.619 -8.725 1.00 21.22 H new ATOM 0 HH12 ARG A 39 -21.268 -2.343 -8.372 1.00 21.22 H new ATOM 0 HH21 ARG A 39 -18.867 -3.333 -10.761 1.00 71.31 H new ATOM 0 HH22 ARG A 39 -20.003 -3.874 -9.521 1.00 71.31 H new ATOM 592 N GLU A 40 -16.926 3.936 -12.889 1.00 54.03 N ATOM 593 CA GLU A 40 -16.015 3.709 -14.003 1.00 22.22 C ATOM 594 C GLU A 40 -14.603 4.139 -13.631 1.00 13.21 C ATOM 595 O GLU A 40 -13.645 3.376 -13.758 1.00 33.12 O ATOM 596 CB GLU A 40 -16.476 4.521 -15.204 1.00 31.13 C ATOM 597 CG GLU A 40 -17.912 4.252 -15.608 1.00 34.33 C ATOM 598 CD GLU A 40 -18.409 5.223 -16.654 1.00 4.35 C ATOM 599 OE1 GLU A 40 -18.502 6.430 -16.344 1.00 73.15 O ATOM 600 OE2 GLU A 40 -18.725 4.786 -17.781 1.00 34.14 O ATOM 0 H GLU A 40 -17.737 4.507 -13.127 1.00 54.03 H new ATOM 0 HA GLU A 40 -16.014 2.646 -14.243 1.00 22.22 H new ATOM 0 HB2 GLU A 40 -16.364 5.582 -14.979 1.00 31.13 H new ATOM 0 HB3 GLU A 40 -15.823 4.304 -16.050 1.00 31.13 H new ATOM 0 HG2 GLU A 40 -17.994 3.235 -15.992 1.00 34.33 H new ATOM 0 HG3 GLU A 40 -18.551 4.312 -14.727 1.00 34.33 H new ATOM 607 N GLU A 41 -14.499 5.373 -13.152 1.00 65.21 N ATOM 608 CA GLU A 41 -13.227 5.951 -12.745 1.00 51.43 C ATOM 609 C GLU A 41 -12.621 5.155 -11.594 1.00 11.32 C ATOM 610 O GLU A 41 -11.403 5.072 -11.452 1.00 70.44 O ATOM 611 CB GLU A 41 -13.441 7.407 -12.325 1.00 72.13 C ATOM 612 CG GLU A 41 -13.982 8.289 -13.439 1.00 61.24 C ATOM 613 CD GLU A 41 -12.992 8.477 -14.570 1.00 5.22 C ATOM 614 OE1 GLU A 41 -12.714 7.500 -15.295 1.00 71.24 O ATOM 615 OE2 GLU A 41 -12.485 9.607 -14.736 1.00 32.11 O ATOM 0 H GLU A 41 -15.295 6.000 -13.035 1.00 65.21 H new ATOM 0 HA GLU A 41 -12.535 5.915 -13.586 1.00 51.43 H new ATOM 0 HB2 GLU A 41 -14.132 7.435 -11.482 1.00 72.13 H new ATOM 0 HB3 GLU A 41 -12.494 7.818 -11.975 1.00 72.13 H new ATOM 0 HG2 GLU A 41 -14.898 7.849 -13.833 1.00 61.24 H new ATOM 0 HG3 GLU A 41 -14.248 9.263 -13.029 1.00 61.24 H new ATOM 622 N ALA A 42 -13.488 4.546 -10.794 1.00 62.12 N ATOM 623 CA ALA A 42 -13.050 3.785 -9.631 1.00 23.45 C ATOM 624 C ALA A 42 -12.465 2.443 -10.051 1.00 45.14 C ATOM 625 O ALA A 42 -11.375 2.065 -9.617 1.00 43.23 O ATOM 626 CB ALA A 42 -14.205 3.585 -8.660 1.00 24.54 C ATOM 0 H ALA A 42 -14.499 4.565 -10.930 1.00 62.12 H new ATOM 0 HA ALA A 42 -12.268 4.353 -9.126 1.00 23.45 H new ATOM 0 HB1 ALA A 42 -13.860 3.015 -7.797 1.00 24.54 H new ATOM 0 HB2 ALA A 42 -14.575 4.556 -8.329 1.00 24.54 H new ATOM 0 HB3 ALA A 42 -15.008 3.041 -9.157 1.00 24.54 H new ATOM 632 N GLU A 43 -13.188 1.733 -10.910 1.00 3.02 N ATOM 633 CA GLU A 43 -12.742 0.434 -11.395 1.00 73.24 C ATOM 634 C GLU A 43 -11.490 0.580 -12.255 1.00 25.01 C ATOM 635 O GLU A 43 -10.682 -0.344 -12.353 1.00 40.45 O ATOM 636 CB GLU A 43 -13.860 -0.256 -12.180 1.00 73.53 C ATOM 637 CG GLU A 43 -15.107 -0.497 -11.345 1.00 3.45 C ATOM 638 CD GLU A 43 -16.111 -1.406 -12.018 1.00 23.15 C ATOM 639 OE1 GLU A 43 -15.832 -2.618 -12.132 1.00 64.35 O ATOM 640 OE2 GLU A 43 -17.189 -0.921 -12.423 1.00 4.12 O ATOM 0 H GLU A 43 -14.087 2.037 -11.285 1.00 3.02 H new ATOM 0 HA GLU A 43 -12.492 -0.187 -10.535 1.00 73.24 H new ATOM 0 HB2 GLU A 43 -14.120 0.355 -13.045 1.00 73.53 H new ATOM 0 HB3 GLU A 43 -13.494 -1.209 -12.561 1.00 73.53 H new ATOM 0 HG2 GLU A 43 -14.817 -0.932 -10.389 1.00 3.45 H new ATOM 0 HG3 GLU A 43 -15.582 0.460 -11.129 1.00 3.45 H new ATOM 647 N SER A 44 -11.321 1.755 -12.853 1.00 25.23 N ATOM 648 CA SER A 44 -10.137 2.048 -13.653 1.00 3.04 C ATOM 649 C SER A 44 -8.882 2.056 -12.784 1.00 43.44 C ATOM 650 O SER A 44 -7.786 1.750 -13.255 1.00 64.40 O ATOM 651 CB SER A 44 -10.294 3.396 -14.361 1.00 24.21 C ATOM 652 OG SER A 44 -11.432 3.394 -15.210 1.00 12.42 O ATOM 0 H SER A 44 -11.991 2.522 -12.798 1.00 25.23 H new ATOM 0 HA SER A 44 -10.032 1.264 -14.403 1.00 3.04 H new ATOM 0 HB2 SER A 44 -10.389 4.191 -13.621 1.00 24.21 H new ATOM 0 HB3 SER A 44 -9.400 3.610 -14.946 1.00 24.21 H new ATOM 0 HG SER A 44 -12.237 3.225 -14.677 1.00 12.42 H new ATOM 658 N PHE A 45 -9.044 2.395 -11.512 1.00 33.02 N ATOM 659 CA PHE A 45 -7.919 2.442 -10.597 1.00 3.14 C ATOM 660 C PHE A 45 -7.575 1.029 -10.140 1.00 35.55 C ATOM 661 O PHE A 45 -6.410 0.682 -9.961 1.00 42.14 O ATOM 662 CB PHE A 45 -8.254 3.337 -9.400 1.00 14.12 C ATOM 663 CG PHE A 45 -7.063 3.718 -8.566 1.00 63.23 C ATOM 664 CD1 PHE A 45 -6.125 4.617 -9.049 1.00 2.22 C ATOM 665 CD2 PHE A 45 -6.886 3.185 -7.301 1.00 4.41 C ATOM 666 CE1 PHE A 45 -5.031 4.976 -8.286 1.00 3.13 C ATOM 667 CE2 PHE A 45 -5.795 3.541 -6.533 1.00 32.33 C ATOM 668 CZ PHE A 45 -4.867 4.438 -7.026 1.00 31.45 C ATOM 0 H PHE A 45 -9.942 2.640 -11.094 1.00 33.02 H new ATOM 0 HA PHE A 45 -7.052 2.865 -11.105 1.00 3.14 H new ATOM 0 HB2 PHE A 45 -8.736 4.245 -9.763 1.00 14.12 H new ATOM 0 HB3 PHE A 45 -8.978 2.823 -8.767 1.00 14.12 H new ATOM 0 HD1 PHE A 45 -6.251 5.042 -10.034 1.00 2.22 H new ATOM 0 HD2 PHE A 45 -7.608 2.484 -6.911 1.00 4.41 H new ATOM 0 HE1 PHE A 45 -4.306 5.676 -8.675 1.00 3.13 H new ATOM 0 HE2 PHE A 45 -5.667 3.118 -5.547 1.00 32.33 H new ATOM 0 HZ PHE A 45 -4.014 4.718 -6.426 1.00 31.45 H new ATOM 678 N MET A 46 -8.608 0.207 -9.996 1.00 41.01 N ATOM 679 CA MET A 46 -8.446 -1.171 -9.545 1.00 22.14 C ATOM 680 C MET A 46 -7.661 -2.001 -10.559 1.00 75.32 C ATOM 681 O MET A 46 -6.863 -2.857 -10.182 1.00 70.04 O ATOM 682 CB MET A 46 -9.821 -1.802 -9.293 1.00 10.34 C ATOM 683 CG MET A 46 -9.767 -3.260 -8.853 1.00 11.44 C ATOM 684 SD MET A 46 -8.757 -3.512 -7.377 1.00 3.35 S ATOM 685 CE MET A 46 -9.551 -2.397 -6.222 1.00 72.44 C ATOM 0 H MET A 46 -9.574 0.473 -10.187 1.00 41.01 H new ATOM 0 HA MET A 46 -7.878 -1.159 -8.615 1.00 22.14 H new ATOM 0 HB2 MET A 46 -10.340 -1.223 -8.529 1.00 10.34 H new ATOM 0 HB3 MET A 46 -10.414 -1.731 -10.205 1.00 10.34 H new ATOM 0 HG2 MET A 46 -10.780 -3.613 -8.659 1.00 11.44 H new ATOM 0 HG3 MET A 46 -9.369 -3.865 -9.667 1.00 11.44 H new ATOM 0 HE1 MET A 46 -9.582 -2.858 -5.235 1.00 72.44 H new ATOM 0 HE2 MET A 46 -8.988 -1.465 -6.170 1.00 72.44 H new ATOM 0 HE3 MET A 46 -10.567 -2.188 -6.558 1.00 72.44 H new ATOM 695 N THR A 47 -7.878 -1.730 -11.841 1.00 44.54 N ATOM 696 CA THR A 47 -7.225 -2.475 -12.912 1.00 20.21 C ATOM 697 C THR A 47 -5.698 -2.440 -12.781 1.00 52.02 C ATOM 698 O THR A 47 -5.046 -3.484 -12.777 1.00 44.53 O ATOM 699 CB THR A 47 -7.638 -1.914 -14.287 1.00 53.03 C ATOM 700 OG1 THR A 47 -9.068 -1.837 -14.363 1.00 21.44 O ATOM 701 CG2 THR A 47 -7.115 -2.787 -15.417 1.00 33.11 C ATOM 0 H THR A 47 -8.506 -0.995 -12.166 1.00 44.54 H new ATOM 0 HA THR A 47 -7.549 -3.512 -12.828 1.00 20.21 H new ATOM 0 HB THR A 47 -7.205 -0.920 -14.395 1.00 53.03 H new ATOM 0 HG1 THR A 47 -9.330 -1.479 -15.237 1.00 21.44 H new ATOM 0 HG21 THR A 47 -7.422 -2.366 -16.374 1.00 33.11 H new ATOM 0 HG22 THR A 47 -6.027 -2.828 -15.371 1.00 33.11 H new ATOM 0 HG23 THR A 47 -7.521 -3.794 -15.317 1.00 33.11 H new ATOM 709 N LYS A 48 -5.136 -1.245 -12.650 1.00 35.51 N ATOM 710 CA LYS A 48 -3.689 -1.092 -12.546 1.00 52.14 C ATOM 711 C LYS A 48 -3.174 -1.564 -11.186 1.00 43.31 C ATOM 712 O LYS A 48 -2.038 -2.019 -11.064 1.00 23.35 O ATOM 713 CB LYS A 48 -3.279 0.355 -12.804 1.00 11.24 C ATOM 714 CG LYS A 48 -3.988 1.361 -11.922 1.00 53.11 C ATOM 715 CD LYS A 48 -3.547 2.774 -12.235 1.00 34.22 C ATOM 716 CE LYS A 48 -3.925 3.188 -13.651 1.00 72.44 C ATOM 717 NZ LYS A 48 -5.398 3.208 -13.853 1.00 20.33 N ATOM 0 H LYS A 48 -5.658 -0.369 -12.613 1.00 35.51 H new ATOM 0 HA LYS A 48 -3.234 -1.722 -13.311 1.00 52.14 H new ATOM 0 HB2 LYS A 48 -2.204 0.450 -12.654 1.00 11.24 H new ATOM 0 HB3 LYS A 48 -3.478 0.598 -13.848 1.00 11.24 H new ATOM 0 HG2 LYS A 48 -5.066 1.275 -12.062 1.00 53.11 H new ATOM 0 HG3 LYS A 48 -3.784 1.138 -10.875 1.00 53.11 H new ATOM 0 HD2 LYS A 48 -4.002 3.462 -11.522 1.00 34.22 H new ATOM 0 HD3 LYS A 48 -2.467 2.853 -12.110 1.00 34.22 H new ATOM 0 HE2 LYS A 48 -3.517 4.177 -13.860 1.00 72.44 H new ATOM 0 HE3 LYS A 48 -3.471 2.499 -14.363 1.00 72.44 H new ATOM 0 HZ1 LYS A 48 -5.615 3.607 -14.789 1.00 20.33 H new ATOM 0 HZ2 LYS A 48 -5.769 2.238 -13.796 1.00 20.33 H new ATOM 0 HZ3 LYS A 48 -5.842 3.793 -13.116 1.00 20.33 H new ATOM 731 N LEU A 49 -4.020 -1.463 -10.165 1.00 30.33 N ATOM 732 CA LEU A 49 -3.655 -1.891 -8.817 1.00 75.52 C ATOM 733 C LEU A 49 -3.540 -3.411 -8.732 1.00 40.34 C ATOM 734 O LEU A 49 -2.821 -3.938 -7.885 1.00 35.10 O ATOM 735 CB LEU A 49 -4.669 -1.366 -7.795 1.00 53.33 C ATOM 736 CG LEU A 49 -4.285 -0.049 -7.106 1.00 23.31 C ATOM 737 CD1 LEU A 49 -3.137 -0.272 -6.139 1.00 71.21 C ATOM 738 CD2 LEU A 49 -3.904 1.013 -8.126 1.00 30.12 C ATOM 0 H LEU A 49 -4.965 -1.088 -10.245 1.00 30.33 H new ATOM 0 HA LEU A 49 -2.677 -1.470 -8.583 1.00 75.52 H new ATOM 0 HB2 LEU A 49 -5.627 -1.229 -8.296 1.00 53.33 H new ATOM 0 HB3 LEU A 49 -4.816 -2.128 -7.029 1.00 53.33 H new ATOM 0 HG LEU A 49 -5.155 0.303 -6.552 1.00 23.31 H new ATOM 0 HD11 LEU A 49 -2.877 0.671 -5.659 1.00 71.21 H new ATOM 0 HD12 LEU A 49 -3.436 -0.995 -5.380 1.00 71.21 H new ATOM 0 HD13 LEU A 49 -2.272 -0.653 -6.682 1.00 71.21 H new ATOM 0 HD21 LEU A 49 -3.637 1.935 -7.609 1.00 30.12 H new ATOM 0 HD22 LEU A 49 -3.053 0.666 -8.712 1.00 30.12 H new ATOM 0 HD23 LEU A 49 -4.749 1.201 -8.789 1.00 30.12 H new ATOM 750 N LYS A 50 -4.240 -4.107 -9.622 1.00 52.23 N ATOM 751 CA LYS A 50 -4.156 -5.565 -9.699 1.00 70.12 C ATOM 752 C LYS A 50 -2.716 -6.015 -9.920 1.00 24.50 C ATOM 753 O LYS A 50 -2.237 -6.956 -9.279 1.00 22.13 O ATOM 754 CB LYS A 50 -5.036 -6.098 -10.831 1.00 41.44 C ATOM 755 CG LYS A 50 -6.209 -6.938 -10.357 1.00 34.44 C ATOM 756 CD LYS A 50 -7.214 -6.115 -9.573 1.00 15.12 C ATOM 757 CE LYS A 50 -8.403 -6.958 -9.142 1.00 63.41 C ATOM 758 NZ LYS A 50 -9.028 -7.660 -10.296 1.00 34.04 N ATOM 0 H LYS A 50 -4.873 -3.686 -10.302 1.00 52.23 H new ATOM 0 HA LYS A 50 -4.511 -5.968 -8.750 1.00 70.12 H new ATOM 0 HB2 LYS A 50 -5.416 -5.256 -11.410 1.00 41.44 H new ATOM 0 HB3 LYS A 50 -4.422 -6.696 -11.504 1.00 41.44 H new ATOM 0 HG2 LYS A 50 -6.702 -7.391 -11.217 1.00 34.44 H new ATOM 0 HG3 LYS A 50 -5.843 -7.754 -9.734 1.00 34.44 H new ATOM 0 HD2 LYS A 50 -6.731 -5.688 -8.694 1.00 15.12 H new ATOM 0 HD3 LYS A 50 -7.559 -5.281 -10.184 1.00 15.12 H new ATOM 0 HE2 LYS A 50 -8.081 -7.690 -8.402 1.00 63.41 H new ATOM 0 HE3 LYS A 50 -9.144 -6.321 -8.659 1.00 63.41 H new ATOM 0 HZ1 LYS A 50 -9.974 -7.998 -10.026 1.00 34.04 H new ATOM 0 HZ2 LYS A 50 -9.111 -7.003 -11.098 1.00 34.04 H new ATOM 0 HZ3 LYS A 50 -8.436 -8.470 -10.571 1.00 34.04 H new ATOM 772 N GLU A 51 -2.033 -5.328 -10.825 1.00 71.21 N ATOM 773 CA GLU A 51 -0.638 -5.615 -11.125 1.00 5.31 C ATOM 774 C GLU A 51 0.228 -5.370 -9.899 1.00 44.55 C ATOM 775 O GLU A 51 1.087 -6.183 -9.550 1.00 62.53 O ATOM 776 CB GLU A 51 -0.150 -4.730 -12.270 1.00 24.20 C ATOM 777 CG GLU A 51 -0.920 -4.912 -13.564 1.00 31.15 C ATOM 778 CD GLU A 51 -0.348 -4.082 -14.694 1.00 4.24 C ATOM 779 OE1 GLU A 51 0.786 -4.374 -15.129 1.00 13.50 O ATOM 780 OE2 GLU A 51 -1.026 -3.137 -15.155 1.00 65.20 O ATOM 0 H GLU A 51 -2.428 -4.561 -11.369 1.00 71.21 H new ATOM 0 HA GLU A 51 -0.560 -6.662 -11.418 1.00 5.31 H new ATOM 0 HB2 GLU A 51 -0.218 -3.686 -11.963 1.00 24.20 H new ATOM 0 HB3 GLU A 51 0.904 -4.940 -12.454 1.00 24.20 H new ATOM 0 HG2 GLU A 51 -0.908 -5.965 -13.847 1.00 31.15 H new ATOM 0 HG3 GLU A 51 -1.963 -4.637 -13.406 1.00 31.15 H new ATOM 787 N LEU A 52 -0.024 -4.248 -9.245 1.00 4.23 N ATOM 788 CA LEU A 52 0.751 -3.836 -8.086 1.00 1.14 C ATOM 789 C LEU A 52 0.570 -4.809 -6.926 1.00 41.13 C ATOM 790 O LEU A 52 1.539 -5.174 -6.267 1.00 53.45 O ATOM 791 CB LEU A 52 0.352 -2.421 -7.658 1.00 15.53 C ATOM 792 CG LEU A 52 0.547 -1.344 -8.727 1.00 60.11 C ATOM 793 CD1 LEU A 52 0.082 0.010 -8.215 1.00 53.34 C ATOM 794 CD2 LEU A 52 2.004 -1.279 -9.160 1.00 32.31 C ATOM 0 H LEU A 52 -0.768 -3.599 -9.501 1.00 4.23 H new ATOM 0 HA LEU A 52 1.804 -3.839 -8.367 1.00 1.14 H new ATOM 0 HB2 LEU A 52 -0.696 -2.430 -7.359 1.00 15.53 H new ATOM 0 HB3 LEU A 52 0.932 -2.147 -6.777 1.00 15.53 H new ATOM 0 HG LEU A 52 -0.058 -1.609 -9.594 1.00 60.11 H new ATOM 0 HD11 LEU A 52 0.229 0.762 -8.990 1.00 53.34 H new ATOM 0 HD12 LEU A 52 -0.976 -0.042 -7.956 1.00 53.34 H new ATOM 0 HD13 LEU A 52 0.659 0.282 -7.331 1.00 53.34 H new ATOM 0 HD21 LEU A 52 2.123 -0.507 -9.921 1.00 32.31 H new ATOM 0 HD22 LEU A 52 2.629 -1.040 -8.300 1.00 32.31 H new ATOM 0 HD23 LEU A 52 2.305 -2.243 -9.570 1.00 32.31 H new ATOM 806 N ALA A 53 -0.665 -5.239 -6.697 1.00 32.34 N ATOM 807 CA ALA A 53 -0.972 -6.156 -5.603 1.00 40.15 C ATOM 808 C ALA A 53 -0.233 -7.484 -5.762 1.00 5.45 C ATOM 809 O ALA A 53 0.317 -8.018 -4.796 1.00 65.03 O ATOM 810 CB ALA A 53 -2.472 -6.392 -5.515 1.00 12.42 C ATOM 0 H ALA A 53 -1.474 -4.967 -7.256 1.00 32.34 H new ATOM 0 HA ALA A 53 -0.631 -5.694 -4.676 1.00 40.15 H new ATOM 0 HB1 ALA A 53 -2.685 -7.078 -4.695 1.00 12.42 H new ATOM 0 HB2 ALA A 53 -2.980 -5.444 -5.337 1.00 12.42 H new ATOM 0 HB3 ALA A 53 -2.828 -6.824 -6.450 1.00 12.42 H new ATOM 816 N ALA A 54 -0.212 -8.006 -6.985 1.00 61.51 N ATOM 817 CA ALA A 54 0.446 -9.276 -7.263 1.00 11.32 C ATOM 818 C ALA A 54 1.951 -9.165 -7.049 1.00 13.23 C ATOM 819 O ALA A 54 2.568 -10.026 -6.416 1.00 75.25 O ATOM 820 CB ALA A 54 0.138 -9.733 -8.683 1.00 53.11 C ATOM 0 H ALA A 54 -0.644 -7.568 -7.799 1.00 61.51 H new ATOM 0 HA ALA A 54 0.060 -10.021 -6.568 1.00 11.32 H new ATOM 0 HB1 ALA A 54 0.637 -10.683 -8.876 1.00 53.11 H new ATOM 0 HB2 ALA A 54 -0.939 -9.858 -8.800 1.00 53.11 H new ATOM 0 HB3 ALA A 54 0.495 -8.986 -9.391 1.00 53.11 H new ATOM 826 N ALA A 55 2.533 -8.088 -7.562 1.00 32.14 N ATOM 827 CA ALA A 55 3.962 -7.847 -7.413 1.00 43.43 C ATOM 828 C ALA A 55 4.320 -7.601 -5.952 1.00 14.41 C ATOM 829 O ALA A 55 5.383 -8.010 -5.482 1.00 1.32 O ATOM 830 CB ALA A 55 4.392 -6.669 -8.270 1.00 35.24 C ATOM 0 H ALA A 55 2.036 -7.367 -8.085 1.00 32.14 H new ATOM 0 HA ALA A 55 4.495 -8.736 -7.749 1.00 43.43 H new ATOM 0 HB1 ALA A 55 5.462 -6.502 -8.148 1.00 35.24 H new ATOM 0 HB2 ALA A 55 4.175 -6.882 -9.317 1.00 35.24 H new ATOM 0 HB3 ALA A 55 3.848 -5.777 -7.961 1.00 35.24 H new ATOM 836 N ALA A 56 3.416 -6.939 -5.242 1.00 65.02 N ATOM 837 CA ALA A 56 3.606 -6.647 -3.830 1.00 14.02 C ATOM 838 C ALA A 56 3.658 -7.927 -3.007 1.00 65.32 C ATOM 839 O ALA A 56 4.566 -8.119 -2.200 1.00 20.11 O ATOM 840 CB ALA A 56 2.497 -5.744 -3.322 1.00 10.44 C ATOM 0 H ALA A 56 2.537 -6.592 -5.626 1.00 65.02 H new ATOM 0 HA ALA A 56 4.560 -6.132 -3.720 1.00 14.02 H new ATOM 0 HB1 ALA A 56 2.654 -5.535 -2.264 1.00 10.44 H new ATOM 0 HB2 ALA A 56 2.504 -4.809 -3.882 1.00 10.44 H new ATOM 0 HB3 ALA A 56 1.535 -6.239 -3.455 1.00 10.44 H new ATOM 846 N SER A 57 2.690 -8.813 -3.227 1.00 41.52 N ATOM 847 CA SER A 57 2.644 -10.077 -2.506 1.00 44.02 C ATOM 848 C SER A 57 3.858 -10.929 -2.865 1.00 34.05 C ATOM 849 O SER A 57 4.267 -11.808 -2.104 1.00 4.30 O ATOM 850 CB SER A 57 1.347 -10.837 -2.816 1.00 32.32 C ATOM 851 OG SER A 57 1.157 -11.910 -1.908 1.00 13.30 O ATOM 0 H SER A 57 1.932 -8.678 -3.896 1.00 41.52 H new ATOM 0 HA SER A 57 2.664 -9.865 -1.437 1.00 44.02 H new ATOM 0 HB2 SER A 57 0.499 -10.154 -2.760 1.00 32.32 H new ATOM 0 HB3 SER A 57 1.381 -11.221 -3.836 1.00 32.32 H new ATOM 0 HG SER A 57 1.244 -11.580 -0.989 1.00 13.30 H new ATOM 857 N SER A 58 4.417 -10.661 -4.044 1.00 20.02 N ATOM 858 CA SER A 58 5.649 -11.302 -4.505 1.00 10.43 C ATOM 859 C SER A 58 5.450 -12.797 -4.744 1.00 34.40 C ATOM 860 O SER A 58 6.405 -13.532 -4.993 1.00 2.45 O ATOM 861 CB SER A 58 6.764 -11.089 -3.481 1.00 52.41 C ATOM 862 OG SER A 58 6.846 -9.727 -3.083 1.00 22.23 O ATOM 0 H SER A 58 4.028 -9.992 -4.708 1.00 20.02 H new ATOM 0 HA SER A 58 5.927 -10.842 -5.453 1.00 10.43 H new ATOM 0 HB2 SER A 58 6.583 -11.715 -2.607 1.00 52.41 H new ATOM 0 HB3 SER A 58 7.717 -11.404 -3.907 1.00 52.41 H new ATOM 0 HG SER A 58 5.995 -9.451 -2.683 1.00 22.23 H new ATOM 868 N ALA A 59 4.205 -13.233 -4.686 1.00 52.42 N ATOM 869 CA ALA A 59 3.882 -14.645 -4.806 1.00 5.22 C ATOM 870 C ALA A 59 3.367 -14.980 -6.197 1.00 63.23 C ATOM 871 O ALA A 59 2.717 -16.007 -6.382 1.00 13.25 O ATOM 872 CB ALA A 59 2.858 -15.034 -3.754 1.00 31.11 C ATOM 0 H ALA A 59 3.396 -12.626 -4.556 1.00 52.42 H new ATOM 0 HA ALA A 59 4.796 -15.217 -4.645 1.00 5.22 H new ATOM 0 HB1 ALA A 59 2.621 -16.094 -3.851 1.00 31.11 H new ATOM 0 HB2 ALA A 59 3.265 -14.842 -2.761 1.00 31.11 H new ATOM 0 HB3 ALA A 59 1.951 -14.446 -3.894 1.00 31.11 H new ATOM 878 N ASP A 60 3.664 -14.106 -7.162 1.00 71.03 N ATOM 879 CA ASP A 60 3.296 -14.307 -8.573 1.00 14.41 C ATOM 880 C ASP A 60 1.783 -14.255 -8.766 1.00 5.25 C ATOM 881 O ASP A 60 1.240 -13.286 -9.298 1.00 73.20 O ATOM 882 CB ASP A 60 3.827 -15.648 -9.109 1.00 71.23 C ATOM 883 CG ASP A 60 5.327 -15.800 -8.966 1.00 31.14 C ATOM 884 OD1 ASP A 60 6.061 -15.390 -9.883 1.00 21.52 O ATOM 885 OD2 ASP A 60 5.777 -16.350 -7.940 1.00 11.01 O ATOM 0 H ASP A 60 4.168 -13.236 -6.990 1.00 71.03 H new ATOM 0 HA ASP A 60 3.756 -13.494 -9.134 1.00 14.41 H new ATOM 0 HB2 ASP A 60 3.334 -16.463 -8.579 1.00 71.23 H new ATOM 0 HB3 ASP A 60 3.558 -15.743 -10.161 1.00 71.23 H new ATOM 890 N GLU A 61 1.116 -15.308 -8.323 1.00 14.42 N ATOM 891 CA GLU A 61 -0.323 -15.442 -8.465 1.00 12.13 C ATOM 892 C GLU A 61 -1.022 -15.061 -7.162 1.00 40.32 C ATOM 893 O GLU A 61 -2.208 -14.723 -7.150 1.00 34.33 O ATOM 894 CB GLU A 61 -0.654 -16.887 -8.841 1.00 21.54 C ATOM 895 CG GLU A 61 -2.134 -17.158 -9.041 1.00 22.33 C ATOM 896 CD GLU A 61 -2.409 -18.612 -9.341 1.00 43.43 C ATOM 897 OE1 GLU A 61 -2.494 -19.413 -8.390 1.00 71.33 O ATOM 898 OE2 GLU A 61 -2.527 -18.964 -10.532 1.00 73.32 O ATOM 0 H GLU A 61 1.560 -16.097 -7.853 1.00 14.42 H new ATOM 0 HA GLU A 61 -0.675 -14.772 -9.249 1.00 12.13 H new ATOM 0 HB2 GLU A 61 -0.123 -17.142 -9.758 1.00 21.54 H new ATOM 0 HB3 GLU A 61 -0.278 -17.548 -8.060 1.00 21.54 H new ATOM 0 HG2 GLU A 61 -2.680 -16.863 -8.145 1.00 22.33 H new ATOM 0 HG3 GLU A 61 -2.508 -16.542 -9.859 1.00 22.33 H new ATOM 905 N GLY A 62 -0.269 -15.121 -6.069 1.00 73.14 N ATOM 906 CA GLY A 62 -0.815 -14.823 -4.761 1.00 30.31 C ATOM 907 C GLY A 62 -1.274 -13.385 -4.636 1.00 5.52 C ATOM 908 O GLY A 62 -0.465 -12.462 -4.727 1.00 2.11 O ATOM 0 H GLY A 62 0.719 -15.373 -6.068 1.00 73.14 H new ATOM 0 HA2 GLY A 62 -1.656 -15.488 -4.562 1.00 30.31 H new ATOM 0 HA3 GLY A 62 -0.061 -15.027 -4.001 1.00 30.31 H new ATOM 912 N ALA A 63 -2.577 -13.207 -4.443 1.00 23.11 N ATOM 913 CA ALA A 63 -3.175 -11.890 -4.275 1.00 60.23 C ATOM 914 C ALA A 63 -4.645 -12.030 -3.904 1.00 61.32 C ATOM 915 O ALA A 63 -5.414 -12.682 -4.613 1.00 71.24 O ATOM 916 CB ALA A 63 -3.034 -11.067 -5.551 1.00 43.12 C ATOM 0 H ALA A 63 -3.248 -13.974 -4.399 1.00 23.11 H new ATOM 0 HA ALA A 63 -2.651 -11.372 -3.472 1.00 60.23 H new ATOM 0 HB1 ALA A 63 -3.487 -10.087 -5.404 1.00 43.12 H new ATOM 0 HB2 ALA A 63 -1.978 -10.946 -5.791 1.00 43.12 H new ATOM 0 HB3 ALA A 63 -3.536 -11.579 -6.372 1.00 43.12 H new ATOM 922 N SER A 64 -5.028 -11.431 -2.791 1.00 64.13 N ATOM 923 CA SER A 64 -6.418 -11.419 -2.369 1.00 61.32 C ATOM 924 C SER A 64 -6.914 -9.987 -2.271 1.00 15.13 C ATOM 925 O SER A 64 -6.364 -9.184 -1.516 1.00 73.42 O ATOM 926 CB SER A 64 -6.571 -12.123 -1.022 1.00 41.54 C ATOM 927 OG SER A 64 -6.189 -13.486 -1.109 1.00 61.41 O ATOM 0 H SER A 64 -4.392 -10.944 -2.159 1.00 64.13 H new ATOM 0 HA SER A 64 -7.015 -11.953 -3.108 1.00 61.32 H new ATOM 0 HB2 SER A 64 -5.960 -11.618 -0.274 1.00 41.54 H new ATOM 0 HB3 SER A 64 -7.606 -12.053 -0.688 1.00 41.54 H new ATOM 0 HG SER A 64 -6.295 -13.912 -0.233 1.00 61.41 H new ATOM 933 N VAL A 65 -7.932 -9.658 -3.048 1.00 53.31 N ATOM 934 CA VAL A 65 -8.484 -8.318 -3.026 1.00 40.33 C ATOM 935 C VAL A 65 -10.008 -8.348 -2.970 1.00 34.43 C ATOM 936 O VAL A 65 -10.676 -8.828 -3.884 1.00 23.42 O ATOM 937 CB VAL A 65 -8.007 -7.488 -4.246 1.00 13.33 C ATOM 938 CG1 VAL A 65 -8.286 -8.214 -5.557 1.00 2.03 C ATOM 939 CG2 VAL A 65 -8.651 -6.109 -4.250 1.00 54.41 C ATOM 0 H VAL A 65 -8.389 -10.298 -3.698 1.00 53.31 H new ATOM 0 HA VAL A 65 -8.117 -7.834 -2.121 1.00 40.33 H new ATOM 0 HB VAL A 65 -6.928 -7.363 -4.156 1.00 13.33 H new ATOM 0 HG11 VAL A 65 -7.939 -7.604 -6.391 1.00 2.03 H new ATOM 0 HG12 VAL A 65 -7.761 -9.169 -5.563 1.00 2.03 H new ATOM 0 HG13 VAL A 65 -9.357 -8.388 -5.656 1.00 2.03 H new ATOM 0 HG21 VAL A 65 -8.301 -5.546 -5.115 1.00 54.41 H new ATOM 0 HG22 VAL A 65 -9.735 -6.214 -4.300 1.00 54.41 H new ATOM 0 HG23 VAL A 65 -8.380 -5.578 -3.338 1.00 54.41 H new ATOM 949 N ALA A 66 -10.551 -7.842 -1.879 1.00 12.41 N ATOM 950 CA ALA A 66 -11.988 -7.704 -1.740 1.00 5.21 C ATOM 951 C ALA A 66 -12.353 -6.235 -1.822 1.00 12.43 C ATOM 952 O ALA A 66 -12.245 -5.504 -0.839 1.00 54.44 O ATOM 953 CB ALA A 66 -12.469 -8.314 -0.428 1.00 55.10 C ATOM 0 H ALA A 66 -10.016 -7.519 -1.073 1.00 12.41 H new ATOM 0 HA ALA A 66 -12.482 -8.243 -2.548 1.00 5.21 H new ATOM 0 HB1 ALA A 66 -13.550 -8.198 -0.347 1.00 55.10 H new ATOM 0 HB2 ALA A 66 -12.215 -9.374 -0.405 1.00 55.10 H new ATOM 0 HB3 ALA A 66 -11.986 -7.807 0.408 1.00 55.10 H new ATOM 959 N TYR A 67 -12.746 -5.792 -3.001 1.00 25.15 N ATOM 960 CA TYR A 67 -13.029 -4.387 -3.208 1.00 60.34 C ATOM 961 C TYR A 67 -14.526 -4.136 -3.315 1.00 13.25 C ATOM 962 O TYR A 67 -15.256 -4.881 -3.969 1.00 62.11 O ATOM 963 CB TYR A 67 -12.295 -3.856 -4.448 1.00 62.51 C ATOM 964 CG TYR A 67 -12.744 -4.456 -5.765 1.00 61.31 C ATOM 965 CD1 TYR A 67 -12.283 -5.699 -6.186 1.00 53.44 C ATOM 966 CD2 TYR A 67 -13.617 -3.766 -6.597 1.00 45.50 C ATOM 967 CE1 TYR A 67 -12.690 -6.237 -7.393 1.00 54.14 C ATOM 968 CE2 TYR A 67 -14.025 -4.298 -7.803 1.00 52.43 C ATOM 969 CZ TYR A 67 -13.556 -5.531 -8.198 1.00 72.41 C ATOM 970 OH TYR A 67 -13.959 -6.060 -9.402 1.00 64.14 O ATOM 0 H TYR A 67 -12.876 -6.381 -3.824 1.00 25.15 H new ATOM 0 HA TYR A 67 -12.661 -3.843 -2.338 1.00 60.34 H new ATOM 0 HB2 TYR A 67 -12.427 -2.775 -4.495 1.00 62.51 H new ATOM 0 HB3 TYR A 67 -11.228 -4.041 -4.327 1.00 62.51 H new ATOM 0 HD1 TYR A 67 -11.597 -6.252 -5.561 1.00 53.44 H new ATOM 0 HD2 TYR A 67 -13.983 -2.796 -6.294 1.00 45.50 H new ATOM 0 HE1 TYR A 67 -12.330 -7.207 -7.703 1.00 54.14 H new ATOM 0 HE2 TYR A 67 -14.709 -3.750 -8.434 1.00 52.43 H new ATOM 0 HH TYR A 67 -14.570 -5.435 -9.846 1.00 64.14 H new ATOM 980 N LYS A 68 -14.968 -3.098 -2.636 1.00 0.15 N ATOM 981 CA LYS A 68 -16.342 -2.654 -2.705 1.00 40.11 C ATOM 982 C LYS A 68 -16.403 -1.317 -3.408 1.00 54.01 C ATOM 983 O LYS A 68 -15.550 -0.455 -3.199 1.00 22.14 O ATOM 984 CB LYS A 68 -16.944 -2.539 -1.307 1.00 52.35 C ATOM 985 CG LYS A 68 -17.177 -3.878 -0.639 1.00 12.04 C ATOM 986 CD LYS A 68 -17.402 -3.729 0.856 1.00 50.52 C ATOM 987 CE LYS A 68 -16.145 -3.252 1.571 1.00 53.05 C ATOM 988 NZ LYS A 68 -16.366 -3.097 3.036 1.00 0.14 N ATOM 0 H LYS A 68 -14.381 -2.537 -2.019 1.00 0.15 H new ATOM 0 HA LYS A 68 -16.922 -3.388 -3.265 1.00 40.11 H new ATOM 0 HB2 LYS A 68 -16.281 -1.940 -0.682 1.00 52.35 H new ATOM 0 HB3 LYS A 68 -17.891 -2.004 -1.371 1.00 52.35 H new ATOM 0 HG2 LYS A 68 -18.042 -4.364 -1.090 1.00 12.04 H new ATOM 0 HG3 LYS A 68 -16.319 -4.527 -0.815 1.00 12.04 H new ATOM 0 HD2 LYS A 68 -18.212 -3.021 1.033 1.00 50.52 H new ATOM 0 HD3 LYS A 68 -17.717 -4.685 1.273 1.00 50.52 H new ATOM 0 HE2 LYS A 68 -15.337 -3.963 1.399 1.00 53.05 H new ATOM 0 HE3 LYS A 68 -15.826 -2.299 1.149 1.00 53.05 H new ATOM 0 HZ1 LYS A 68 -15.487 -2.771 3.487 1.00 0.14 H new ATOM 0 HZ2 LYS A 68 -17.120 -2.400 3.202 1.00 0.14 H new ATOM 0 HZ3 LYS A 68 -16.645 -4.012 3.444 1.00 0.14 H new ATOM 1002 N ILE A 69 -17.391 -1.160 -4.251 1.00 10.11 N ATOM 1003 CA ILE A 69 -17.567 0.075 -4.989 1.00 51.25 C ATOM 1004 C ILE A 69 -18.938 0.640 -4.704 1.00 12.01 C ATOM 1005 O ILE A 69 -19.944 0.104 -5.168 1.00 13.51 O ATOM 1006 CB ILE A 69 -17.414 -0.131 -6.505 1.00 44.43 C ATOM 1007 CG1 ILE A 69 -16.157 -0.944 -6.807 1.00 60.23 C ATOM 1008 CG2 ILE A 69 -17.358 1.220 -7.205 1.00 45.13 C ATOM 1009 CD1 ILE A 69 -16.020 -1.326 -8.261 1.00 60.12 C ATOM 0 H ILE A 69 -18.093 -1.874 -4.448 1.00 10.11 H new ATOM 0 HA ILE A 69 -16.790 0.767 -4.663 1.00 51.25 H new ATOM 0 HB ILE A 69 -18.276 -0.685 -6.877 1.00 44.43 H new ATOM 0 HG12 ILE A 69 -15.281 -0.369 -6.507 1.00 60.23 H new ATOM 0 HG13 ILE A 69 -16.166 -1.850 -6.201 1.00 60.23 H new ATOM 0 HG21 ILE A 69 -17.250 1.069 -8.279 1.00 45.13 H new ATOM 0 HG22 ILE A 69 -18.278 1.771 -7.007 1.00 45.13 H new ATOM 0 HG23 ILE A 69 -16.507 1.789 -6.831 1.00 45.13 H new ATOM 0 HD11 ILE A 69 -15.105 -1.901 -8.401 1.00 60.12 H new ATOM 0 HD12 ILE A 69 -16.877 -1.929 -8.561 1.00 60.12 H new ATOM 0 HD13 ILE A 69 -15.979 -0.424 -8.872 1.00 60.12 H new ATOM 1021 N LYS A 70 -18.985 1.704 -3.928 1.00 14.44 N ATOM 1022 CA LYS A 70 -20.257 2.272 -3.544 1.00 33.11 C ATOM 1023 C LYS A 70 -20.566 3.488 -4.387 1.00 24.31 C ATOM 1024 O LYS A 70 -19.840 4.486 -4.360 1.00 44.12 O ATOM 1025 CB LYS A 70 -20.259 2.635 -2.064 1.00 3.53 C ATOM 1026 CG LYS A 70 -21.642 2.900 -1.490 1.00 71.44 C ATOM 1027 CD LYS A 70 -22.466 1.623 -1.435 1.00 14.14 C ATOM 1028 CE LYS A 70 -23.809 1.855 -0.768 1.00 31.41 C ATOM 1029 NZ LYS A 70 -24.579 0.594 -0.624 1.00 53.14 N ATOM 0 H LYS A 70 -18.167 2.186 -3.556 1.00 14.44 H new ATOM 0 HA LYS A 70 -21.033 1.525 -3.714 1.00 33.11 H new ATOM 0 HB2 LYS A 70 -19.794 1.825 -1.502 1.00 3.53 H new ATOM 0 HB3 LYS A 70 -19.641 3.521 -1.918 1.00 3.53 H new ATOM 0 HG2 LYS A 70 -21.549 3.320 -0.488 1.00 71.44 H new ATOM 0 HG3 LYS A 70 -22.156 3.642 -2.100 1.00 71.44 H new ATOM 0 HD2 LYS A 70 -22.621 1.245 -2.446 1.00 14.14 H new ATOM 0 HD3 LYS A 70 -21.915 0.857 -0.889 1.00 14.14 H new ATOM 0 HE2 LYS A 70 -23.654 2.301 0.215 1.00 31.41 H new ATOM 0 HE3 LYS A 70 -24.387 2.569 -1.354 1.00 31.41 H new ATOM 0 HZ1 LYS A 70 -25.490 0.794 -0.164 1.00 53.14 H new ATOM 0 HZ2 LYS A 70 -24.749 0.182 -1.564 1.00 53.14 H new ATOM 0 HZ3 LYS A 70 -24.038 -0.078 -0.043 1.00 53.14 H new ATOM 1043 N ASP A 71 -21.630 3.376 -5.151 1.00 1.32 N ATOM 1044 CA ASP A 71 -22.103 4.475 -5.969 1.00 73.41 C ATOM 1045 C ASP A 71 -22.789 5.498 -5.082 1.00 30.25 C ATOM 1046 O ASP A 71 -23.912 5.289 -4.621 1.00 31.41 O ATOM 1047 CB ASP A 71 -23.061 3.979 -7.054 1.00 72.33 C ATOM 1048 CG ASP A 71 -22.347 3.272 -8.193 1.00 11.13 C ATOM 1049 OD1 ASP A 71 -22.124 2.045 -8.093 1.00 52.25 O ATOM 1050 OD2 ASP A 71 -22.017 3.938 -9.197 1.00 5.55 O ATOM 0 H ASP A 71 -22.190 2.527 -5.224 1.00 1.32 H new ATOM 0 HA ASP A 71 -21.251 4.938 -6.467 1.00 73.41 H new ATOM 0 HB2 ASP A 71 -23.786 3.298 -6.608 1.00 72.33 H new ATOM 0 HB3 ASP A 71 -23.621 4.825 -7.452 1.00 72.33 H new ATOM 1055 N LEU A 72 -22.095 6.590 -4.821 1.00 63.22 N ATOM 1056 CA LEU A 72 -22.573 7.591 -3.885 1.00 23.41 C ATOM 1057 C LEU A 72 -23.250 8.738 -4.615 1.00 72.44 C ATOM 1058 O LEU A 72 -23.513 8.668 -5.817 1.00 33.42 O ATOM 1059 CB LEU A 72 -21.408 8.133 -3.049 1.00 20.42 C ATOM 1060 CG LEU A 72 -20.607 7.084 -2.278 1.00 21.24 C ATOM 1061 CD1 LEU A 72 -19.404 7.728 -1.607 1.00 74.10 C ATOM 1062 CD2 LEU A 72 -21.486 6.399 -1.247 1.00 21.54 C ATOM 0 H LEU A 72 -21.194 6.807 -5.246 1.00 63.22 H new ATOM 0 HA LEU A 72 -23.302 7.116 -3.228 1.00 23.41 H new ATOM 0 HB2 LEU A 72 -20.728 8.670 -3.710 1.00 20.42 H new ATOM 0 HB3 LEU A 72 -21.801 8.860 -2.338 1.00 20.42 H new ATOM 0 HG LEU A 72 -20.251 6.332 -2.982 1.00 21.24 H new ATOM 0 HD11 LEU A 72 -18.842 6.970 -1.061 1.00 74.10 H new ATOM 0 HD12 LEU A 72 -18.763 8.179 -2.365 1.00 74.10 H new ATOM 0 HD13 LEU A 72 -19.743 8.498 -0.913 1.00 74.10 H new ATOM 0 HD21 LEU A 72 -20.901 5.655 -0.707 1.00 21.54 H new ATOM 0 HD22 LEU A 72 -21.868 7.140 -0.545 1.00 21.54 H new ATOM 0 HD23 LEU A 72 -22.321 5.910 -1.748 1.00 21.54 H new ATOM 1074 N GLU A 73 -23.529 9.794 -3.876 1.00 43.04 N ATOM 1075 CA GLU A 73 -24.157 10.976 -4.431 1.00 52.51 C ATOM 1076 C GLU A 73 -23.104 11.960 -4.935 1.00 34.14 C ATOM 1077 O GLU A 73 -22.450 12.653 -4.152 1.00 41.24 O ATOM 1078 CB GLU A 73 -25.058 11.615 -3.375 1.00 54.22 C ATOM 1079 CG GLU A 73 -24.403 11.709 -2.005 1.00 3.15 C ATOM 1080 CD GLU A 73 -25.389 12.038 -0.911 1.00 60.32 C ATOM 1081 OE1 GLU A 73 -26.048 11.110 -0.396 1.00 22.22 O ATOM 1082 OE2 GLU A 73 -25.504 13.224 -0.547 1.00 60.14 O ATOM 0 H GLU A 73 -23.328 9.857 -2.878 1.00 43.04 H new ATOM 0 HA GLU A 73 -24.770 10.692 -5.286 1.00 52.51 H new ATOM 0 HB2 GLU A 73 -25.341 12.615 -3.705 1.00 54.22 H new ATOM 0 HB3 GLU A 73 -25.977 11.035 -3.292 1.00 54.22 H new ATOM 0 HG2 GLU A 73 -23.913 10.763 -1.775 1.00 3.15 H new ATOM 0 HG3 GLU A 73 -23.626 12.473 -2.030 1.00 3.15 H new ATOM 1089 N GLY A 74 -22.909 11.971 -6.247 1.00 40.01 N ATOM 1090 CA GLY A 74 -21.974 12.900 -6.855 1.00 51.43 C ATOM 1091 C GLY A 74 -20.575 12.325 -6.977 1.00 41.01 C ATOM 1092 O GLY A 74 -19.718 12.895 -7.653 1.00 33.34 O ATOM 0 H GLY A 74 -23.383 11.351 -6.904 1.00 40.01 H new ATOM 0 HA2 GLY A 74 -22.336 13.178 -7.845 1.00 51.43 H new ATOM 0 HA3 GLY A 74 -21.937 13.813 -6.261 1.00 51.43 H new ATOM 1096 N GLN A 75 -20.346 11.192 -6.330 1.00 45.22 N ATOM 1097 CA GLN A 75 -19.038 10.554 -6.323 1.00 33.44 C ATOM 1098 C GLN A 75 -19.192 9.070 -6.034 1.00 12.21 C ATOM 1099 O GLN A 75 -20.304 8.589 -5.832 1.00 11.52 O ATOM 1100 CB GLN A 75 -18.138 11.191 -5.259 1.00 34.50 C ATOM 1101 CG GLN A 75 -18.681 11.051 -3.843 1.00 72.13 C ATOM 1102 CD GLN A 75 -17.785 11.689 -2.800 1.00 71.15 C ATOM 1103 OE1 GLN A 75 -17.937 12.865 -2.472 1.00 74.34 O ATOM 1104 NE2 GLN A 75 -16.851 10.918 -2.267 1.00 21.44 N ATOM 0 H GLN A 75 -21.057 10.691 -5.798 1.00 45.22 H new ATOM 0 HA GLN A 75 -18.579 10.690 -7.302 1.00 33.44 H new ATOM 0 HB2 GLN A 75 -17.150 10.733 -5.308 1.00 34.50 H new ATOM 0 HB3 GLN A 75 -18.010 12.249 -5.488 1.00 34.50 H new ATOM 0 HG2 GLN A 75 -19.670 11.506 -3.792 1.00 72.13 H new ATOM 0 HG3 GLN A 75 -18.805 9.993 -3.610 1.00 72.13 H new ATOM 0 HE21 GLN A 75 -16.758 9.948 -2.567 1.00 21.44 H new ATOM 0 HE22 GLN A 75 -16.224 11.294 -1.556 1.00 21.44 H new ATOM 1113 N VAL A 76 -18.084 8.352 -6.016 1.00 30.32 N ATOM 1114 CA VAL A 76 -18.081 6.948 -5.630 1.00 22.41 C ATOM 1115 C VAL A 76 -16.899 6.660 -4.722 1.00 41.15 C ATOM 1116 O VAL A 76 -15.890 7.371 -4.762 1.00 61.40 O ATOM 1117 CB VAL A 76 -18.007 6.006 -6.852 1.00 60.41 C ATOM 1118 CG1 VAL A 76 -19.256 6.128 -7.713 1.00 10.12 C ATOM 1119 CG2 VAL A 76 -16.757 6.289 -7.672 1.00 62.25 C ATOM 0 H VAL A 76 -17.166 8.720 -6.266 1.00 30.32 H new ATOM 0 HA VAL A 76 -19.020 6.761 -5.109 1.00 22.41 H new ATOM 0 HB VAL A 76 -17.952 4.981 -6.485 1.00 60.41 H new ATOM 0 HG11 VAL A 76 -19.177 5.454 -8.566 1.00 10.12 H new ATOM 0 HG12 VAL A 76 -20.133 5.864 -7.122 1.00 10.12 H new ATOM 0 HG13 VAL A 76 -19.354 7.154 -8.069 1.00 10.12 H new ATOM 0 HG21 VAL A 76 -16.723 5.615 -8.528 1.00 62.25 H new ATOM 0 HG22 VAL A 76 -16.778 7.321 -8.023 1.00 62.25 H new ATOM 0 HG23 VAL A 76 -15.873 6.134 -7.053 1.00 62.25 H new ATOM 1129 N GLU A 77 -17.018 5.633 -3.898 1.00 24.30 N ATOM 1130 CA GLU A 77 -15.902 5.216 -3.075 1.00 52.42 C ATOM 1131 C GLU A 77 -15.424 3.838 -3.498 1.00 73.44 C ATOM 1132 O GLU A 77 -16.204 2.889 -3.610 1.00 50.02 O ATOM 1133 CB GLU A 77 -16.248 5.234 -1.581 1.00 24.52 C ATOM 1134 CG GLU A 77 -17.314 4.238 -1.179 1.00 71.44 C ATOM 1135 CD GLU A 77 -17.679 4.324 0.289 1.00 53.11 C ATOM 1136 OE1 GLU A 77 -18.270 5.346 0.707 1.00 64.33 O ATOM 1137 OE2 GLU A 77 -17.366 3.373 1.040 1.00 25.40 O ATOM 0 H GLU A 77 -17.867 5.080 -3.783 1.00 24.30 H new ATOM 0 HA GLU A 77 -15.096 5.934 -3.225 1.00 52.42 H new ATOM 0 HB2 GLU A 77 -15.343 5.032 -1.008 1.00 24.52 H new ATOM 0 HB3 GLU A 77 -16.581 6.235 -1.309 1.00 24.52 H new ATOM 0 HG2 GLU A 77 -18.207 4.407 -1.781 1.00 71.44 H new ATOM 0 HG3 GLU A 77 -16.965 3.230 -1.403 1.00 71.44 H new ATOM 1144 N LEU A 78 -14.142 3.764 -3.778 1.00 54.25 N ATOM 1145 CA LEU A 78 -13.487 2.511 -4.085 1.00 34.33 C ATOM 1146 C LEU A 78 -12.820 2.009 -2.816 1.00 62.24 C ATOM 1147 O LEU A 78 -11.826 2.573 -2.356 1.00 4.52 O ATOM 1148 CB LEU A 78 -12.470 2.703 -5.227 1.00 1.33 C ATOM 1149 CG LEU A 78 -11.855 1.424 -5.822 1.00 73.45 C ATOM 1150 CD1 LEU A 78 -10.718 0.897 -4.957 1.00 55.13 C ATOM 1151 CD2 LEU A 78 -12.918 0.350 -6.012 1.00 1.02 C ATOM 0 H LEU A 78 -13.522 4.574 -3.799 1.00 54.25 H new ATOM 0 HA LEU A 78 -14.211 1.772 -4.428 1.00 34.33 H new ATOM 0 HB2 LEU A 78 -12.960 3.252 -6.031 1.00 1.33 H new ATOM 0 HB3 LEU A 78 -11.659 3.332 -4.860 1.00 1.33 H new ATOM 0 HG LEU A 78 -11.443 1.683 -6.797 1.00 73.45 H new ATOM 0 HD11 LEU A 78 -10.307 -0.007 -5.407 1.00 55.13 H new ATOM 0 HD12 LEU A 78 -9.936 1.653 -4.883 1.00 55.13 H new ATOM 0 HD13 LEU A 78 -11.095 0.667 -3.961 1.00 55.13 H new ATOM 0 HD21 LEU A 78 -12.460 -0.545 -6.434 1.00 1.02 H new ATOM 0 HD22 LEU A 78 -13.367 0.108 -5.049 1.00 1.02 H new ATOM 0 HD23 LEU A 78 -13.689 0.717 -6.690 1.00 1.02 H new ATOM 1163 N ASP A 79 -13.394 0.970 -2.246 1.00 42.14 N ATOM 1164 CA ASP A 79 -12.959 0.460 -0.953 1.00 73.01 C ATOM 1165 C ASP A 79 -12.359 -0.924 -1.128 1.00 32.01 C ATOM 1166 O ASP A 79 -13.081 -1.909 -1.250 1.00 73.34 O ATOM 1167 CB ASP A 79 -14.150 0.410 0.015 1.00 70.40 C ATOM 1168 CG ASP A 79 -13.755 0.036 1.431 1.00 73.52 C ATOM 1169 OD1 ASP A 79 -13.698 -1.169 1.747 1.00 5.33 O ATOM 1170 OD2 ASP A 79 -13.522 0.953 2.246 1.00 12.53 O ATOM 0 H ASP A 79 -14.171 0.455 -2.659 1.00 42.14 H new ATOM 0 HA ASP A 79 -12.201 1.123 -0.537 1.00 73.01 H new ATOM 0 HB2 ASP A 79 -14.641 1.383 0.027 1.00 70.40 H new ATOM 0 HB3 ASP A 79 -14.880 -0.311 -0.354 1.00 70.40 H new ATOM 1175 N ALA A 80 -11.042 -0.997 -1.158 1.00 43.12 N ATOM 1176 CA ALA A 80 -10.369 -2.248 -1.448 1.00 14.13 C ATOM 1177 C ALA A 80 -9.696 -2.829 -0.214 1.00 13.42 C ATOM 1178 O ALA A 80 -8.894 -2.166 0.447 1.00 35.43 O ATOM 1179 CB ALA A 80 -9.352 -2.044 -2.557 1.00 51.14 C ATOM 0 H ALA A 80 -10.419 -0.208 -0.986 1.00 43.12 H new ATOM 0 HA ALA A 80 -11.123 -2.964 -1.775 1.00 14.13 H new ATOM 0 HB1 ALA A 80 -8.851 -2.988 -2.769 1.00 51.14 H new ATOM 0 HB2 ALA A 80 -9.859 -1.693 -3.456 1.00 51.14 H new ATOM 0 HB3 ALA A 80 -8.615 -1.304 -2.243 1.00 51.14 H new ATOM 1185 N ALA A 81 -10.045 -4.062 0.100 1.00 24.24 N ATOM 1186 CA ALA A 81 -9.382 -4.807 1.151 1.00 24.42 C ATOM 1187 C ALA A 81 -8.321 -5.721 0.553 1.00 4.42 C ATOM 1188 O ALA A 81 -8.635 -6.782 0.010 1.00 65.21 O ATOM 1189 CB ALA A 81 -10.393 -5.614 1.951 1.00 14.03 C ATOM 0 H ALA A 81 -10.794 -4.574 -0.366 1.00 24.24 H new ATOM 0 HA ALA A 81 -8.896 -4.103 1.827 1.00 24.42 H new ATOM 0 HB1 ALA A 81 -9.878 -6.167 2.736 1.00 14.03 H new ATOM 0 HB2 ALA A 81 -11.122 -4.940 2.401 1.00 14.03 H new ATOM 0 HB3 ALA A 81 -10.905 -6.314 1.290 1.00 14.03 H new ATOM 1195 N PHE A 82 -7.071 -5.298 0.634 1.00 22.11 N ATOM 1196 CA PHE A 82 -5.968 -6.081 0.102 1.00 53.13 C ATOM 1197 C PHE A 82 -5.438 -7.012 1.175 1.00 75.01 C ATOM 1198 O PHE A 82 -4.960 -6.567 2.217 1.00 23.42 O ATOM 1199 CB PHE A 82 -4.840 -5.174 -0.402 1.00 12.44 C ATOM 1200 CG PHE A 82 -5.196 -4.359 -1.613 1.00 61.11 C ATOM 1201 CD1 PHE A 82 -5.159 -4.926 -2.878 1.00 2.13 C ATOM 1202 CD2 PHE A 82 -5.561 -3.029 -1.488 1.00 41.31 C ATOM 1203 CE1 PHE A 82 -5.478 -4.180 -3.996 1.00 73.40 C ATOM 1204 CE2 PHE A 82 -5.880 -2.277 -2.602 1.00 0.35 C ATOM 1205 CZ PHE A 82 -5.840 -2.853 -3.858 1.00 22.41 C ATOM 0 H PHE A 82 -6.794 -4.415 1.064 1.00 22.11 H new ATOM 0 HA PHE A 82 -6.338 -6.665 -0.741 1.00 53.13 H new ATOM 0 HB2 PHE A 82 -4.546 -4.499 0.402 1.00 12.44 H new ATOM 0 HB3 PHE A 82 -3.971 -5.790 -0.635 1.00 12.44 H new ATOM 0 HD1 PHE A 82 -4.878 -5.963 -2.990 1.00 2.13 H new ATOM 0 HD2 PHE A 82 -5.597 -2.575 -0.509 1.00 41.31 H new ATOM 0 HE1 PHE A 82 -5.445 -4.633 -4.976 1.00 73.40 H new ATOM 0 HE2 PHE A 82 -6.160 -1.240 -2.492 1.00 0.35 H new ATOM 0 HZ PHE A 82 -6.091 -2.267 -4.730 1.00 22.41 H new ATOM 1215 N THR A 83 -5.545 -8.303 0.926 1.00 43.14 N ATOM 1216 CA THR A 83 -5.145 -9.297 1.896 1.00 40.03 C ATOM 1217 C THR A 83 -3.884 -10.012 1.434 1.00 14.12 C ATOM 1218 O THR A 83 -3.916 -10.834 0.514 1.00 1.33 O ATOM 1219 CB THR A 83 -6.272 -10.317 2.117 1.00 61.25 C ATOM 1220 OG1 THR A 83 -7.512 -9.616 2.294 1.00 20.21 O ATOM 1221 CG2 THR A 83 -5.989 -11.184 3.336 1.00 30.30 C ATOM 0 H THR A 83 -5.908 -8.687 0.054 1.00 43.14 H new ATOM 0 HA THR A 83 -4.939 -8.791 2.839 1.00 40.03 H new ATOM 0 HB THR A 83 -6.334 -10.968 1.245 1.00 61.25 H new ATOM 0 HG1 THR A 83 -8.236 -10.262 2.434 1.00 20.21 H new ATOM 0 HG21 THR A 83 -6.801 -11.898 3.471 1.00 30.30 H new ATOM 0 HG22 THR A 83 -5.053 -11.723 3.190 1.00 30.30 H new ATOM 0 HG23 THR A 83 -5.910 -10.553 4.221 1.00 30.30 H new ATOM 1229 N PHE A 84 -2.772 -9.675 2.057 1.00 2.03 N ATOM 1230 CA PHE A 84 -1.502 -10.288 1.726 1.00 44.33 C ATOM 1231 C PHE A 84 -1.211 -11.423 2.692 1.00 54.34 C ATOM 1232 O PHE A 84 -1.743 -11.453 3.802 1.00 5.51 O ATOM 1233 CB PHE A 84 -0.385 -9.246 1.768 1.00 34.23 C ATOM 1234 CG PHE A 84 -0.559 -8.148 0.754 1.00 30.35 C ATOM 1235 CD1 PHE A 84 -0.108 -8.311 -0.545 1.00 11.22 C ATOM 1236 CD2 PHE A 84 -1.181 -6.956 1.097 1.00 33.33 C ATOM 1237 CE1 PHE A 84 -0.272 -7.311 -1.481 1.00 13.20 C ATOM 1238 CE2 PHE A 84 -1.348 -5.952 0.163 1.00 55.52 C ATOM 1239 CZ PHE A 84 -0.891 -6.131 -1.128 1.00 20.51 C ATOM 0 H PHE A 84 -2.723 -8.976 2.799 1.00 2.03 H new ATOM 0 HA PHE A 84 -1.554 -10.693 0.715 1.00 44.33 H new ATOM 0 HB2 PHE A 84 -0.344 -8.807 2.765 1.00 34.23 H new ATOM 0 HB3 PHE A 84 0.571 -9.741 1.597 1.00 34.23 H new ATOM 0 HD1 PHE A 84 0.378 -9.233 -0.829 1.00 11.22 H new ATOM 0 HD2 PHE A 84 -1.539 -6.812 2.106 1.00 33.33 H new ATOM 0 HE1 PHE A 84 0.085 -7.453 -2.491 1.00 13.20 H new ATOM 0 HE2 PHE A 84 -1.835 -5.029 0.442 1.00 55.52 H new ATOM 0 HZ PHE A 84 -1.018 -5.347 -1.860 1.00 20.51 H new ATOM 1249 N SER A 85 -0.375 -12.356 2.273 1.00 74.22 N ATOM 1250 CA SER A 85 -0.072 -13.516 3.092 1.00 55.21 C ATOM 1251 C SER A 85 1.020 -13.182 4.103 1.00 71.13 C ATOM 1252 O SER A 85 1.221 -13.898 5.086 1.00 25.34 O ATOM 1253 CB SER A 85 0.333 -14.690 2.202 1.00 23.12 C ATOM 1254 OG SER A 85 -0.711 -15.010 1.291 1.00 52.32 O ATOM 0 H SER A 85 0.105 -12.334 1.373 1.00 74.22 H new ATOM 0 HA SER A 85 -0.963 -13.804 3.650 1.00 55.21 H new ATOM 0 HB2 SER A 85 1.240 -14.440 1.651 1.00 23.12 H new ATOM 0 HB3 SER A 85 0.564 -15.559 2.819 1.00 23.12 H new ATOM 0 HG SER A 85 -0.434 -15.763 0.728 1.00 52.32 H new ATOM 1260 N CYS A 86 1.713 -12.081 3.857 1.00 1.04 N ATOM 1261 CA CYS A 86 2.698 -11.566 4.790 1.00 21.42 C ATOM 1262 C CYS A 86 2.499 -10.066 4.948 1.00 1.32 C ATOM 1263 O CYS A 86 2.204 -9.373 3.974 1.00 72.31 O ATOM 1264 CB CYS A 86 4.114 -11.849 4.287 1.00 74.00 C ATOM 1265 SG CYS A 86 4.386 -13.551 3.751 1.00 15.12 S ATOM 0 H CYS A 86 1.608 -11.523 3.009 1.00 1.04 H new ATOM 0 HA CYS A 86 2.569 -12.061 5.753 1.00 21.42 H new ATOM 0 HB2 CYS A 86 4.332 -11.179 3.455 1.00 74.00 H new ATOM 0 HB3 CYS A 86 4.823 -11.613 5.081 1.00 74.00 H new ATOM 0 HG CYS A 86 4.178 -13.641 2.471 1.00 15.12 H new ATOM 1271 N GLN A 87 2.656 -9.561 6.163 1.00 50.11 N ATOM 1272 CA GLN A 87 2.502 -8.134 6.407 1.00 65.32 C ATOM 1273 C GLN A 87 3.593 -7.356 5.687 1.00 65.51 C ATOM 1274 O GLN A 87 3.402 -6.196 5.319 1.00 24.11 O ATOM 1275 CB GLN A 87 2.525 -7.829 7.903 1.00 3.35 C ATOM 1276 CG GLN A 87 2.536 -6.346 8.215 1.00 1.15 C ATOM 1277 CD GLN A 87 2.247 -6.061 9.670 1.00 71.13 C ATOM 1278 OE1 GLN A 87 3.156 -5.994 10.492 1.00 54.31 O ATOM 1279 NE2 GLN A 87 0.977 -5.896 10.000 1.00 25.15 N ATOM 0 H GLN A 87 2.888 -10.113 6.989 1.00 50.11 H new ATOM 0 HA GLN A 87 1.533 -7.823 6.015 1.00 65.32 H new ATOM 0 HB2 GLN A 87 1.653 -8.285 8.373 1.00 3.35 H new ATOM 0 HB3 GLN A 87 3.406 -8.293 8.347 1.00 3.35 H new ATOM 0 HG2 GLN A 87 3.508 -5.930 7.952 1.00 1.15 H new ATOM 0 HG3 GLN A 87 1.795 -5.842 7.595 1.00 1.15 H new ATOM 0 HE21 GLN A 87 0.252 -5.960 9.285 1.00 25.15 H new ATOM 0 HE22 GLN A 87 0.723 -5.705 10.969 1.00 25.15 H new ATOM 1288 N ALA A 88 4.730 -8.011 5.474 1.00 34.42 N ATOM 1289 CA ALA A 88 5.822 -7.425 4.708 1.00 2.31 C ATOM 1290 C ALA A 88 5.340 -7.013 3.323 1.00 24.41 C ATOM 1291 O ALA A 88 5.653 -5.927 2.848 1.00 74.41 O ATOM 1292 CB ALA A 88 6.977 -8.409 4.600 1.00 11.04 C ATOM 0 H ALA A 88 4.918 -8.951 5.823 1.00 34.42 H new ATOM 0 HA ALA A 88 6.173 -6.534 5.228 1.00 2.31 H new ATOM 0 HB1 ALA A 88 7.786 -7.959 4.025 1.00 11.04 H new ATOM 0 HB2 ALA A 88 7.336 -8.659 5.598 1.00 11.04 H new ATOM 0 HB3 ALA A 88 6.637 -9.315 4.099 1.00 11.04 H new ATOM 1298 N GLU A 89 4.543 -7.882 2.704 1.00 43.13 N ATOM 1299 CA GLU A 89 3.986 -7.626 1.380 1.00 21.52 C ATOM 1300 C GLU A 89 3.014 -6.449 1.432 1.00 32.42 C ATOM 1301 O GLU A 89 2.873 -5.697 0.470 1.00 35.02 O ATOM 1302 CB GLU A 89 3.242 -8.868 0.883 1.00 44.41 C ATOM 1303 CG GLU A 89 4.024 -10.165 1.033 1.00 70.44 C ATOM 1304 CD GLU A 89 3.157 -11.400 0.842 1.00 62.54 C ATOM 1305 OE1 GLU A 89 1.952 -11.258 0.542 1.00 41.52 O ATOM 1306 OE2 GLU A 89 3.680 -12.525 1.002 1.00 4.02 O ATOM 0 H GLU A 89 4.267 -8.778 3.105 1.00 43.13 H new ATOM 0 HA GLU A 89 4.803 -7.387 0.699 1.00 21.52 H new ATOM 0 HB2 GLU A 89 2.303 -8.958 1.429 1.00 44.41 H new ATOM 0 HB3 GLU A 89 2.988 -8.729 -0.168 1.00 44.41 H new ATOM 0 HG2 GLU A 89 4.836 -10.181 0.306 1.00 70.44 H new ATOM 0 HG3 GLU A 89 4.481 -10.196 2.022 1.00 70.44 H new ATOM 1313 N MET A 90 2.349 -6.302 2.571 1.00 51.22 N ATOM 1314 CA MET A 90 1.358 -5.252 2.753 1.00 11.31 C ATOM 1315 C MET A 90 2.035 -3.890 2.884 1.00 44.43 C ATOM 1316 O MET A 90 1.682 -2.944 2.183 1.00 24.10 O ATOM 1317 CB MET A 90 0.496 -5.558 3.989 1.00 63.44 C ATOM 1318 CG MET A 90 -0.700 -4.629 4.174 1.00 32.54 C ATOM 1319 SD MET A 90 -0.270 -3.036 4.907 1.00 62.51 S ATOM 1320 CE MET A 90 0.300 -3.547 6.524 1.00 10.04 C ATOM 0 H MET A 90 2.480 -6.901 3.386 1.00 51.22 H new ATOM 0 HA MET A 90 0.711 -5.219 1.876 1.00 11.31 H new ATOM 0 HB2 MET A 90 0.135 -6.584 3.919 1.00 63.44 H new ATOM 0 HB3 MET A 90 1.125 -5.501 4.878 1.00 63.44 H new ATOM 0 HG2 MET A 90 -1.171 -4.459 3.206 1.00 32.54 H new ATOM 0 HG3 MET A 90 -1.439 -5.123 4.805 1.00 32.54 H new ATOM 0 HE1 MET A 90 -0.352 -3.126 7.289 1.00 10.04 H new ATOM 0 HE2 MET A 90 0.281 -4.635 6.590 1.00 10.04 H new ATOM 0 HE3 MET A 90 1.319 -3.192 6.680 1.00 10.04 H new ATOM 1330 N ILE A 91 3.033 -3.803 3.758 1.00 43.21 N ATOM 1331 CA ILE A 91 3.701 -2.535 4.015 1.00 35.24 C ATOM 1332 C ILE A 91 4.498 -2.050 2.809 1.00 23.32 C ATOM 1333 O ILE A 91 4.508 -0.857 2.520 1.00 63.22 O ATOM 1334 CB ILE A 91 4.619 -2.594 5.253 1.00 34.01 C ATOM 1335 CG1 ILE A 91 5.429 -3.891 5.280 1.00 22.21 C ATOM 1336 CG2 ILE A 91 3.796 -2.446 6.520 1.00 42.33 C ATOM 1337 CD1 ILE A 91 6.477 -3.934 6.371 1.00 21.25 C ATOM 0 H ILE A 91 3.394 -4.591 4.296 1.00 43.21 H new ATOM 0 HA ILE A 91 2.903 -1.820 4.214 1.00 35.24 H new ATOM 0 HB ILE A 91 5.325 -1.766 5.195 1.00 34.01 H new ATOM 0 HG12 ILE A 91 4.747 -4.731 5.411 1.00 22.21 H new ATOM 0 HG13 ILE A 91 5.917 -4.024 4.315 1.00 22.21 H new ATOM 0 HG21 ILE A 91 4.454 -2.489 7.388 1.00 42.33 H new ATOM 0 HG22 ILE A 91 3.276 -1.488 6.506 1.00 42.33 H new ATOM 0 HG23 ILE A 91 3.067 -3.254 6.577 1.00 42.33 H new ATOM 0 HD11 ILE A 91 7.010 -4.884 6.326 1.00 21.25 H new ATOM 0 HD12 ILE A 91 7.183 -3.115 6.230 1.00 21.25 H new ATOM 0 HD13 ILE A 91 5.994 -3.834 7.343 1.00 21.25 H new ATOM 1349 N ILE A 92 5.154 -2.966 2.093 1.00 54.44 N ATOM 1350 CA ILE A 92 5.923 -2.586 0.914 1.00 52.35 C ATOM 1351 C ILE A 92 4.990 -2.065 -0.177 1.00 71.44 C ATOM 1352 O ILE A 92 5.362 -1.200 -0.972 1.00 63.23 O ATOM 1353 CB ILE A 92 6.802 -3.751 0.385 1.00 3.50 C ATOM 1354 CG1 ILE A 92 5.970 -4.966 -0.029 1.00 34.15 C ATOM 1355 CG2 ILE A 92 7.831 -4.149 1.429 1.00 22.43 C ATOM 1356 CD1 ILE A 92 5.619 -4.985 -1.502 1.00 53.33 C ATOM 0 H ILE A 92 5.167 -3.963 2.308 1.00 54.44 H new ATOM 0 HA ILE A 92 6.605 -1.788 1.208 1.00 52.35 H new ATOM 0 HB ILE A 92 7.312 -3.390 -0.508 1.00 3.50 H new ATOM 0 HG12 ILE A 92 6.521 -5.874 0.217 1.00 34.15 H new ATOM 0 HG13 ILE A 92 5.050 -4.983 0.556 1.00 34.15 H new ATOM 0 HG21 ILE A 92 8.441 -4.967 1.045 1.00 22.43 H new ATOM 0 HG22 ILE A 92 8.470 -3.295 1.654 1.00 22.43 H new ATOM 0 HG23 ILE A 92 7.322 -4.471 2.337 1.00 22.43 H new ATOM 0 HD11 ILE A 92 5.029 -5.874 -1.724 1.00 53.33 H new ATOM 0 HD12 ILE A 92 5.041 -4.095 -1.750 1.00 53.33 H new ATOM 0 HD13 ILE A 92 6.534 -5.000 -2.094 1.00 53.33 H new ATOM 1368 N PHE A 93 3.769 -2.588 -0.184 1.00 35.32 N ATOM 1369 CA PHE A 93 2.732 -2.135 -1.099 1.00 71.03 C ATOM 1370 C PHE A 93 2.297 -0.720 -0.728 1.00 63.33 C ATOM 1371 O PHE A 93 2.269 0.176 -1.571 1.00 24.03 O ATOM 1372 CB PHE A 93 1.545 -3.102 -1.037 1.00 40.24 C ATOM 1373 CG PHE A 93 0.400 -2.757 -1.946 1.00 55.13 C ATOM 1374 CD1 PHE A 93 0.570 -2.721 -3.320 1.00 73.41 C ATOM 1375 CD2 PHE A 93 -0.854 -2.481 -1.422 1.00 63.24 C ATOM 1376 CE1 PHE A 93 -0.487 -2.417 -4.154 1.00 44.11 C ATOM 1377 CE2 PHE A 93 -1.915 -2.179 -2.252 1.00 12.12 C ATOM 1378 CZ PHE A 93 -1.731 -2.146 -3.620 1.00 1.21 C ATOM 0 H PHE A 93 3.472 -3.336 0.443 1.00 35.32 H new ATOM 0 HA PHE A 93 3.120 -2.118 -2.118 1.00 71.03 H new ATOM 0 HB2 PHE A 93 1.897 -4.103 -1.285 1.00 40.24 H new ATOM 0 HB3 PHE A 93 1.178 -3.138 -0.011 1.00 40.24 H new ATOM 0 HD1 PHE A 93 1.541 -2.933 -3.744 1.00 73.41 H new ATOM 0 HD2 PHE A 93 -1.002 -2.503 -0.352 1.00 63.24 H new ATOM 0 HE1 PHE A 93 -0.341 -2.391 -5.224 1.00 44.11 H new ATOM 0 HE2 PHE A 93 -2.888 -1.969 -1.832 1.00 12.12 H new ATOM 0 HZ PHE A 93 -2.559 -1.909 -4.271 1.00 1.21 H new ATOM 1388 N GLU A 94 1.985 -0.532 0.551 1.00 35.33 N ATOM 1389 CA GLU A 94 1.589 0.769 1.077 1.00 73.10 C ATOM 1390 C GLU A 94 2.645 1.838 0.817 1.00 50.31 C ATOM 1391 O GLU A 94 2.307 2.990 0.527 1.00 71.43 O ATOM 1392 CB GLU A 94 1.323 0.674 2.576 1.00 23.03 C ATOM 1393 CG GLU A 94 0.111 -0.165 2.931 1.00 22.23 C ATOM 1394 CD GLU A 94 -1.182 0.469 2.457 1.00 2.43 C ATOM 1395 OE1 GLU A 94 -1.353 1.696 2.653 1.00 70.32 O ATOM 1396 OE2 GLU A 94 -2.033 -0.247 1.897 1.00 41.01 O ATOM 0 H GLU A 94 2.000 -1.275 1.249 1.00 35.33 H new ATOM 0 HA GLU A 94 0.677 1.062 0.556 1.00 73.10 H new ATOM 0 HB2 GLU A 94 2.201 0.252 3.065 1.00 23.03 H new ATOM 0 HB3 GLU A 94 1.187 1.679 2.976 1.00 23.03 H new ATOM 0 HG2 GLU A 94 0.213 -1.155 2.486 1.00 22.23 H new ATOM 0 HG3 GLU A 94 0.071 -0.304 4.011 1.00 22.23 H new ATOM 1403 N LEU A 95 3.915 1.462 0.931 1.00 44.10 N ATOM 1404 CA LEU A 95 5.013 2.392 0.693 1.00 5.02 C ATOM 1405 C LEU A 95 4.967 2.939 -0.730 1.00 53.02 C ATOM 1406 O LEU A 95 4.946 4.152 -0.934 1.00 40.43 O ATOM 1407 CB LEU A 95 6.362 1.716 0.955 1.00 11.22 C ATOM 1408 CG LEU A 95 6.611 1.283 2.403 1.00 72.20 C ATOM 1409 CD1 LEU A 95 7.984 0.644 2.537 1.00 54.32 C ATOM 1410 CD2 LEU A 95 6.481 2.467 3.353 1.00 21.11 C ATOM 0 H LEU A 95 4.209 0.519 1.187 1.00 44.10 H new ATOM 0 HA LEU A 95 4.900 3.226 1.386 1.00 5.02 H new ATOM 0 HB2 LEU A 95 6.440 0.839 0.313 1.00 11.22 H new ATOM 0 HB3 LEU A 95 7.156 2.401 0.657 1.00 11.22 H new ATOM 0 HG LEU A 95 5.855 0.545 2.673 1.00 72.20 H new ATOM 0 HD11 LEU A 95 8.145 0.342 3.572 1.00 54.32 H new ATOM 0 HD12 LEU A 95 8.043 -0.231 1.890 1.00 54.32 H new ATOM 0 HD13 LEU A 95 8.750 1.363 2.245 1.00 54.32 H new ATOM 0 HD21 LEU A 95 6.662 2.135 4.375 1.00 21.11 H new ATOM 0 HD22 LEU A 95 7.211 3.231 3.085 1.00 21.11 H new ATOM 0 HD23 LEU A 95 5.477 2.884 3.280 1.00 21.11 H new ATOM 1422 N SER A 96 4.919 2.044 -1.709 1.00 13.13 N ATOM 1423 CA SER A 96 4.894 2.448 -3.106 1.00 71.21 C ATOM 1424 C SER A 96 3.660 3.304 -3.406 1.00 32.34 C ATOM 1425 O SER A 96 3.721 4.236 -4.215 1.00 73.00 O ATOM 1426 CB SER A 96 4.923 1.214 -4.005 1.00 32.12 C ATOM 1427 OG SER A 96 6.028 0.384 -3.683 1.00 62.40 O ATOM 0 H SER A 96 4.897 1.035 -1.560 1.00 13.13 H new ATOM 0 HA SER A 96 5.778 3.053 -3.308 1.00 71.21 H new ATOM 0 HB2 SER A 96 3.995 0.653 -3.891 1.00 32.12 H new ATOM 0 HB3 SER A 96 4.984 1.520 -5.049 1.00 32.12 H new ATOM 0 HG SER A 96 6.794 0.942 -3.433 1.00 62.40 H new ATOM 1433 N LEU A 97 2.547 2.996 -2.740 1.00 3.34 N ATOM 1434 CA LEU A 97 1.320 3.773 -2.897 1.00 64.24 C ATOM 1435 C LEU A 97 1.527 5.207 -2.423 1.00 4.14 C ATOM 1436 O LEU A 97 1.053 6.154 -3.047 1.00 63.21 O ATOM 1437 CB LEU A 97 0.165 3.147 -2.108 1.00 41.24 C ATOM 1438 CG LEU A 97 -0.208 1.716 -2.495 1.00 74.05 C ATOM 1439 CD1 LEU A 97 -1.412 1.256 -1.689 1.00 51.44 C ATOM 1440 CD2 LEU A 97 -0.490 1.616 -3.987 1.00 53.22 C ATOM 0 H LEU A 97 2.471 2.215 -2.088 1.00 3.34 H new ATOM 0 HA LEU A 97 1.068 3.773 -3.957 1.00 64.24 H new ATOM 0 HB2 LEU A 97 0.424 3.161 -1.049 1.00 41.24 H new ATOM 0 HB3 LEU A 97 -0.716 3.777 -2.229 1.00 41.24 H new ATOM 0 HG LEU A 97 0.635 1.063 -2.268 1.00 74.05 H new ATOM 0 HD11 LEU A 97 -1.671 0.235 -1.971 1.00 51.44 H new ATOM 0 HD12 LEU A 97 -1.172 1.289 -0.626 1.00 51.44 H new ATOM 0 HD13 LEU A 97 -2.258 1.914 -1.891 1.00 51.44 H new ATOM 0 HD21 LEU A 97 -0.753 0.589 -4.239 1.00 53.22 H new ATOM 0 HD22 LEU A 97 -1.317 2.277 -4.246 1.00 53.22 H new ATOM 0 HD23 LEU A 97 0.398 1.911 -4.546 1.00 53.22 H new ATOM 1452 N ARG A 98 2.241 5.354 -1.313 1.00 32.20 N ATOM 1453 CA ARG A 98 2.509 6.664 -0.732 1.00 2.44 C ATOM 1454 C ARG A 98 3.432 7.481 -1.627 1.00 32.32 C ATOM 1455 O ARG A 98 3.225 8.678 -1.809 1.00 55.02 O ATOM 1456 CB ARG A 98 3.122 6.502 0.660 1.00 4.11 C ATOM 1457 CG ARG A 98 2.125 6.043 1.712 1.00 74.42 C ATOM 1458 CD ARG A 98 2.818 5.326 2.862 1.00 4.24 C ATOM 1459 NE ARG A 98 1.909 5.036 3.977 1.00 22.40 N ATOM 1460 CZ ARG A 98 0.838 4.240 3.907 1.00 75.44 C ATOM 1461 NH1 ARG A 98 0.495 3.662 2.763 1.00 55.22 N ATOM 1462 NH2 ARG A 98 0.111 4.031 4.994 1.00 14.35 N ATOM 0 H ARG A 98 2.647 4.576 -0.794 1.00 32.20 H new ATOM 0 HA ARG A 98 1.565 7.201 -0.645 1.00 2.44 H new ATOM 0 HB2 ARG A 98 3.939 5.783 0.607 1.00 4.11 H new ATOM 0 HB3 ARG A 98 3.554 7.453 0.971 1.00 4.11 H new ATOM 0 HG2 ARG A 98 1.577 6.904 2.096 1.00 74.42 H new ATOM 0 HG3 ARG A 98 1.393 5.377 1.255 1.00 74.42 H new ATOM 0 HD2 ARG A 98 3.248 4.393 2.497 1.00 4.24 H new ATOM 0 HD3 ARG A 98 3.644 5.939 3.222 1.00 4.24 H new ATOM 0 HE ARG A 98 2.110 5.476 4.875 1.00 22.40 H new ATOM 0 HH11 ARG A 98 1.051 3.823 1.923 1.00 55.22 H new ATOM 0 HH12 ARG A 98 -0.325 3.057 2.723 1.00 55.22 H new ATOM 0 HH21 ARG A 98 0.370 4.476 5.874 1.00 14.35 H new ATOM 0 HH22 ARG A 98 -0.708 3.425 4.951 1.00 14.35 H new ATOM 1476 N SER A 99 4.439 6.826 -2.192 1.00 34.20 N ATOM 1477 CA SER A 99 5.357 7.489 -3.110 1.00 5.43 C ATOM 1478 C SER A 99 4.630 7.945 -4.375 1.00 23.11 C ATOM 1479 O SER A 99 4.936 8.995 -4.938 1.00 50.33 O ATOM 1480 CB SER A 99 6.504 6.547 -3.473 1.00 31.33 C ATOM 1481 OG SER A 99 7.182 6.109 -2.310 1.00 64.44 O ATOM 0 H SER A 99 4.640 5.839 -2.031 1.00 34.20 H new ATOM 0 HA SER A 99 5.762 8.371 -2.613 1.00 5.43 H new ATOM 0 HB2 SER A 99 6.115 5.687 -4.019 1.00 31.33 H new ATOM 0 HB3 SER A 99 7.203 7.056 -4.137 1.00 31.33 H new ATOM 0 HG SER A 99 7.370 5.150 -2.383 1.00 64.44 H new ATOM 1487 N LEU A 100 3.649 7.160 -4.804 1.00 44.20 N ATOM 1488 CA LEU A 100 2.871 7.486 -5.993 1.00 12.00 C ATOM 1489 C LEU A 100 1.883 8.612 -5.696 1.00 53.24 C ATOM 1490 O LEU A 100 1.408 9.293 -6.599 1.00 42.11 O ATOM 1491 CB LEU A 100 2.130 6.244 -6.494 1.00 52.01 C ATOM 1492 CG LEU A 100 1.382 6.416 -7.818 1.00 24.54 C ATOM 1493 CD1 LEU A 100 2.352 6.753 -8.943 1.00 74.42 C ATOM 1494 CD2 LEU A 100 0.594 5.160 -8.155 1.00 52.40 C ATOM 0 H LEU A 100 3.373 6.292 -4.345 1.00 44.20 H new ATOM 0 HA LEU A 100 3.553 7.826 -6.772 1.00 12.00 H new ATOM 0 HB2 LEU A 100 2.849 5.433 -6.605 1.00 52.01 H new ATOM 0 HB3 LEU A 100 1.416 5.935 -5.730 1.00 52.01 H new ATOM 0 HG LEU A 100 0.681 7.244 -7.708 1.00 24.54 H new ATOM 0 HD11 LEU A 100 1.801 6.871 -9.876 1.00 74.42 H new ATOM 0 HD12 LEU A 100 2.872 7.682 -8.709 1.00 74.42 H new ATOM 0 HD13 LEU A 100 3.078 5.947 -9.051 1.00 74.42 H new ATOM 0 HD21 LEU A 100 0.069 5.302 -9.100 1.00 52.40 H new ATOM 0 HD22 LEU A 100 1.277 4.315 -8.243 1.00 52.40 H new ATOM 0 HD23 LEU A 100 -0.130 4.961 -7.364 1.00 52.40 H new ATOM 1506 N ALA A 101 1.594 8.816 -4.420 1.00 23.53 N ATOM 1507 CA ALA A 101 0.674 9.864 -4.008 1.00 70.42 C ATOM 1508 C ALA A 101 1.408 11.190 -3.835 1.00 45.10 C ATOM 1509 O ALA A 101 0.825 12.179 -3.393 1.00 31.45 O ATOM 1510 CB ALA A 101 -0.030 9.470 -2.718 1.00 41.31 C ATOM 0 H ALA A 101 1.984 8.269 -3.652 1.00 23.53 H new ATOM 0 HA ALA A 101 -0.076 9.991 -4.789 1.00 70.42 H new ATOM 0 HB1 ALA A 101 -0.716 10.263 -2.421 1.00 41.31 H new ATOM 0 HB2 ALA A 101 -0.589 8.547 -2.876 1.00 41.31 H new ATOM 0 HB3 ALA A 101 0.710 9.316 -1.932 1.00 41.31 H new ATOM 1516 N LEU A 102 2.688 11.203 -4.184 1.00 13.50 N ATOM 1517 CA LEU A 102 3.500 12.406 -4.062 1.00 43.43 C ATOM 1518 C LEU A 102 3.486 13.217 -5.355 1.00 61.24 C ATOM 1519 O LEU A 102 3.684 14.434 -5.339 1.00 32.22 O ATOM 1520 CB LEU A 102 4.942 12.047 -3.688 1.00 24.32 C ATOM 1521 CG LEU A 102 5.113 11.358 -2.332 1.00 54.35 C ATOM 1522 CD1 LEU A 102 6.576 11.018 -2.088 1.00 24.21 C ATOM 1523 CD2 LEU A 102 4.578 12.238 -1.212 1.00 15.52 C ATOM 0 H LEU A 102 3.186 10.393 -4.554 1.00 13.50 H new ATOM 0 HA LEU A 102 3.068 13.017 -3.269 1.00 43.43 H new ATOM 0 HB2 LEU A 102 5.349 11.396 -4.462 1.00 24.32 H new ATOM 0 HB3 LEU A 102 5.539 12.959 -3.692 1.00 24.32 H new ATOM 0 HG LEU A 102 4.540 10.431 -2.344 1.00 54.35 H new ATOM 0 HD11 LEU A 102 6.679 10.529 -1.119 1.00 24.21 H new ATOM 0 HD12 LEU A 102 6.930 10.349 -2.872 1.00 24.21 H new ATOM 0 HD13 LEU A 102 7.169 11.933 -2.097 1.00 24.21 H new ATOM 0 HD21 LEU A 102 4.709 11.730 -0.256 1.00 15.52 H new ATOM 0 HD22 LEU A 102 5.123 13.182 -1.199 1.00 15.52 H new ATOM 0 HD23 LEU A 102 3.518 12.433 -1.377 1.00 15.52 H new ATOM 1535 N GLU A 103 3.248 12.549 -6.476 1.00 0.21 N ATOM 1536 CA GLU A 103 3.240 13.226 -7.765 1.00 45.05 C ATOM 1537 C GLU A 103 1.868 13.838 -8.054 1.00 31.01 C ATOM 1538 O GLU A 103 1.769 14.883 -8.697 1.00 55.20 O ATOM 1539 CB GLU A 103 3.710 12.284 -8.884 1.00 42.24 C ATOM 1540 CG GLU A 103 3.045 10.915 -8.899 1.00 52.33 C ATOM 1541 CD GLU A 103 1.798 10.879 -9.752 1.00 42.24 C ATOM 1542 OE1 GLU A 103 1.916 10.927 -10.993 1.00 74.12 O ATOM 1543 OE2 GLU A 103 0.690 10.811 -9.194 1.00 0.45 O ATOM 0 H GLU A 103 3.059 11.548 -6.519 1.00 0.21 H new ATOM 0 HA GLU A 103 3.952 14.051 -7.726 1.00 45.05 H new ATOM 0 HB2 GLU A 103 3.531 12.768 -9.844 1.00 42.24 H new ATOM 0 HB3 GLU A 103 4.787 12.146 -8.793 1.00 42.24 H new ATOM 0 HG2 GLU A 103 3.755 10.175 -9.270 1.00 52.33 H new ATOM 0 HG3 GLU A 103 2.790 10.629 -7.879 1.00 52.33 H new ATOM 1550 N HIS A 104 0.815 13.197 -7.568 1.00 24.45 N ATOM 1551 CA HIS A 104 -0.520 13.787 -7.598 1.00 35.20 C ATOM 1552 C HIS A 104 -1.052 13.938 -6.184 1.00 42.02 C ATOM 1553 O HIS A 104 -1.688 13.032 -5.637 1.00 62.42 O ATOM 1554 CB HIS A 104 -1.492 12.964 -8.448 1.00 44.34 C ATOM 1555 CG HIS A 104 -1.408 13.259 -9.915 1.00 55.14 C ATOM 1556 ND1 HIS A 104 -0.562 12.594 -10.770 1.00 31.11 N ATOM 1557 CD2 HIS A 104 -2.074 14.158 -10.676 1.00 21.31 C ATOM 1558 CE1 HIS A 104 -0.704 13.071 -11.990 1.00 71.15 C ATOM 1559 NE2 HIS A 104 -1.618 14.022 -11.965 1.00 73.14 N ATOM 0 H HIS A 104 0.857 12.268 -7.148 1.00 24.45 H new ATOM 0 HA HIS A 104 -0.437 14.770 -8.061 1.00 35.20 H new ATOM 0 HB2 HIS A 104 -1.293 11.904 -8.288 1.00 44.34 H new ATOM 0 HB3 HIS A 104 -2.510 13.153 -8.106 1.00 44.34 H new ATOM 0 HD2 HIS A 104 -2.825 14.854 -10.333 1.00 21.31 H new ATOM 0 HE1 HIS A 104 -0.163 12.739 -12.864 1.00 71.15 H new ATOM 0 HE2 HIS A 104 -1.933 14.566 -12.768 1.00 73.14 H new ATOM 1568 N HIS A 105 -0.764 15.083 -5.591 1.00 60.44 N ATOM 1569 CA HIS A 105 -1.136 15.352 -4.216 1.00 5.05 C ATOM 1570 C HIS A 105 -1.662 16.772 -4.081 1.00 12.33 C ATOM 1571 O HIS A 105 -0.882 17.720 -4.020 1.00 70.11 O ATOM 1572 CB HIS A 105 0.080 15.160 -3.296 1.00 21.14 C ATOM 1573 CG HIS A 105 -0.201 15.349 -1.830 1.00 55.42 C ATOM 1574 ND1 HIS A 105 -0.001 16.543 -1.171 1.00 65.43 N ATOM 1575 CD2 HIS A 105 -0.639 14.476 -0.892 1.00 1.30 C ATOM 1576 CE1 HIS A 105 -0.302 16.395 0.107 1.00 2.14 C ATOM 1577 NE2 HIS A 105 -0.693 15.149 0.307 1.00 5.32 N ATOM 0 H HIS A 105 -0.268 15.848 -6.048 1.00 60.44 H new ATOM 0 HA HIS A 105 -1.921 14.655 -3.924 1.00 5.05 H new ATOM 0 HB2 HIS A 105 0.478 14.157 -3.449 1.00 21.14 H new ATOM 0 HB3 HIS A 105 0.859 15.861 -3.596 1.00 21.14 H new ATOM 0 HD2 HIS A 105 -0.899 13.440 -1.055 1.00 1.30 H new ATOM 0 HE1 HIS A 105 -0.239 17.164 0.862 1.00 2.14 H new ATOM 0 HE2 HIS A 105 -0.986 14.753 1.200 1.00 5.32 H new ATOM 1586 N HIS A 106 -2.977 16.926 -4.087 1.00 51.02 N ATOM 1587 CA HIS A 106 -3.574 18.203 -3.721 1.00 0.41 C ATOM 1588 C HIS A 106 -3.287 18.471 -2.247 1.00 4.12 C ATOM 1589 O HIS A 106 -3.241 17.534 -1.446 1.00 33.25 O ATOM 1590 CB HIS A 106 -5.084 18.240 -4.026 1.00 25.45 C ATOM 1591 CG HIS A 106 -5.912 17.193 -3.333 1.00 35.02 C ATOM 1592 ND1 HIS A 106 -7.130 17.467 -2.757 1.00 64.32 N ATOM 1593 CD2 HIS A 106 -5.713 15.862 -3.163 1.00 43.01 C ATOM 1594 CE1 HIS A 106 -7.642 16.358 -2.261 1.00 30.24 C ATOM 1595 NE2 HIS A 106 -6.804 15.366 -2.495 1.00 2.25 N ATOM 0 H HIS A 106 -3.643 16.195 -4.337 1.00 51.02 H new ATOM 0 HA HIS A 106 -3.128 18.994 -4.325 1.00 0.41 H new ATOM 0 HB2 HIS A 106 -5.468 19.222 -3.751 1.00 25.45 H new ATOM 0 HB3 HIS A 106 -5.222 18.133 -5.102 1.00 25.45 H new ATOM 0 HD1 HIS A 106 -7.570 18.387 -2.719 1.00 64.32 H new ATOM 0 HD2 HIS A 106 -4.854 15.297 -3.493 1.00 43.01 H new ATOM 0 HE1 HIS A 106 -8.589 16.275 -1.749 1.00 30.24 H new ATOM 1604 N HIS A 107 -3.071 19.740 -1.905 1.00 22.51 N ATOM 1605 CA HIS A 107 -2.582 20.116 -0.576 1.00 51.05 C ATOM 1606 C HIS A 107 -3.427 19.492 0.533 1.00 20.22 C ATOM 1607 O HIS A 107 -2.888 18.928 1.484 1.00 12.14 O ATOM 1608 CB HIS A 107 -2.552 21.640 -0.421 1.00 54.30 C ATOM 1609 CG HIS A 107 -1.569 22.115 0.612 1.00 24.12 C ATOM 1610 ND1 HIS A 107 -1.913 22.411 1.913 1.00 11.33 N ATOM 1611 CD2 HIS A 107 -0.235 22.348 0.522 1.00 13.45 C ATOM 1612 CE1 HIS A 107 -0.840 22.804 2.573 1.00 63.13 C ATOM 1613 NE2 HIS A 107 0.191 22.773 1.755 1.00 52.44 N ATOM 0 H HIS A 107 -3.227 20.530 -2.532 1.00 22.51 H new ATOM 0 HA HIS A 107 -1.567 19.730 -0.483 1.00 51.05 H new ATOM 0 HB2 HIS A 107 -2.304 22.091 -1.382 1.00 54.30 H new ATOM 0 HB3 HIS A 107 -3.548 21.990 -0.152 1.00 54.30 H new ATOM 0 HD2 HIS A 107 0.378 22.222 -0.358 1.00 13.45 H new ATOM 0 HE1 HIS A 107 -0.812 23.101 3.611 1.00 63.13 H new ATOM 0 HE2 HIS A 107 1.149 23.024 1.998 1.00 52.44 H new ATOM 1622 N HIS A 108 -4.743 19.591 0.407 1.00 53.33 N ATOM 1623 CA HIS A 108 -5.647 18.956 1.360 1.00 74.44 C ATOM 1624 C HIS A 108 -7.003 18.719 0.705 1.00 44.31 C ATOM 1625 O HIS A 108 -7.486 17.592 0.641 1.00 5.12 O ATOM 1626 CB HIS A 108 -5.800 19.818 2.616 1.00 35.40 C ATOM 1627 CG HIS A 108 -6.484 19.115 3.748 1.00 24.04 C ATOM 1628 ND1 HIS A 108 -7.621 19.598 4.360 1.00 72.33 N ATOM 1629 CD2 HIS A 108 -6.176 17.963 4.389 1.00 75.33 C ATOM 1630 CE1 HIS A 108 -7.982 18.773 5.326 1.00 31.22 C ATOM 1631 NE2 HIS A 108 -7.122 17.774 5.361 1.00 4.53 N ATOM 0 H HIS A 108 -5.209 20.103 -0.342 1.00 53.33 H new ATOM 0 HA HIS A 108 -5.226 17.996 1.659 1.00 74.44 H new ATOM 0 HB2 HIS A 108 -4.813 20.144 2.945 1.00 35.40 H new ATOM 0 HB3 HIS A 108 -6.364 20.716 2.363 1.00 35.40 H new ATOM 0 HD2 HIS A 108 -5.340 17.314 4.174 1.00 75.33 H new ATOM 0 HE1 HIS A 108 -8.836 18.896 5.976 1.00 31.22 H new ATOM 0 HE2 HIS A 108 -7.156 16.987 6.008 1.00 4.53 H new ATOM 1640 N HIS A 109 -7.610 19.792 0.227 1.00 52.42 N ATOM 1641 CA HIS A 109 -8.816 19.701 -0.579 1.00 40.44 C ATOM 1642 C HIS A 109 -8.590 20.444 -1.877 1.00 75.23 C ATOM 1643 O HIS A 109 -8.545 21.687 -1.846 1.00 36.45 O ATOM 1644 CB HIS A 109 -10.040 20.264 0.150 1.00 54.14 C ATOM 1645 CG HIS A 109 -10.615 19.330 1.169 1.00 54.31 C ATOM 1646 ND1 HIS A 109 -10.332 19.163 2.479 1.00 21.22 N flip ATOM 1647 CD2 HIS A 109 -11.610 18.423 0.877 1.00 72.01 C flip ATOM 1648 CE1 HIS A 109 -11.150 18.167 2.953 1.00 13.02 C flip ATOM 1649 NE2 HIS A 109 -11.914 17.741 1.965 1.00 21.33 N flip ATOM 1650 OXT HIS A 109 -8.407 19.779 -2.913 1.00 36.45 O ATOM 0 H HIS A 109 -7.283 20.745 0.385 1.00 52.42 H new ATOM 0 HA HIS A 109 -9.022 18.649 -0.776 1.00 40.44 H new ATOM 0 HB2 HIS A 109 -9.762 21.197 0.641 1.00 54.14 H new ATOM 0 HB3 HIS A 109 -10.809 20.506 -0.583 1.00 54.14 H new ATOM 0 HD1 HIS A 109 -9.638 19.682 3.017 1.00 21.22 H new ATOM 0 HD2 HIS A 109 -12.070 18.291 -0.091 1.00 72.01 H new ATOM 0 HE1 HIS A 109 -11.165 17.794 3.966 1.00 13.02 H new TER 1659 HIS A 109