USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 958 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 92 SER OG : rot -45:sc= -0.711! USER MOD Set 1.2: A 96 GLN : amide:sc= -1.16 K(o=-1.9,f=-3.6) USER MOD Set 2.1: A 81 ASN : amide:sc= 0 X(o=-5.6,f=-5.6) USER MOD Set 2.2: A 98 HIS : no HD1:sc= -5.57! C(o=-5.6!,f=-8!) USER MOD Set 3.1: A 39 SER OG : rot 102:sc= -0.904! USER MOD Set 3.2: A 110 SER OG : rot 97:sc= -0.397 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.00452 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -155:sc=-0.00212 (180deg=-0.342) USER MOD Single : A 3 SER OG : rot -135:sc= 1.28 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0534 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= -0.0527 (180deg=-0.648) USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= -0.196 (180deg=-1.05) USER MOD Single : A 18 SER OG : rot -63:sc= 1.16 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.108 F(o=-1.3,f=-0.11) USER MOD Single : A 33 CYS SG : rot 148:sc= -6.57! USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.101) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -2.67 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.76) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000164) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 155:sc= -0.0796 (180deg=-0.483) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 0:sc= -1.45! USER MOD Single : A 91 MET CE :methyl -159:sc= -0.174 (180deg=-0.938) USER MOD Single : A 95 TYR OH : rot 79:sc= 0.918 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 43:sc= 0.26 USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.76 USER MOD Single : A 109 TYR OH : rot -130:sc= -0.733 USER MOD Single : A 113 ASN : amide:sc= -2 X(o=-2,f=-2) USER MOD Single : A 114 THR OG1 : rot 130:sc= -3.28! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.415 2.200 -2.133 1.00 21.05 N ATOM 2 CA MET A 1 -2.065 1.771 -2.456 1.00 23.04 C ATOM 3 C MET A 1 -1.118 2.007 -1.277 1.00 62.51 C ATOM 4 O MET A 1 -1.146 3.068 -0.656 1.00 32.32 O ATOM 5 CB MET A 1 -1.562 2.543 -3.677 1.00 0.21 C ATOM 6 CG MET A 1 -2.007 1.866 -4.975 1.00 24.01 C ATOM 7 SD MET A 1 -1.209 0.277 -5.139 1.00 15.33 S ATOM 8 CE MET A 1 -0.680 0.370 -6.841 1.00 10.12 C ATOM 0 H1 MET A 1 -3.800 2.757 -2.922 1.00 21.05 H new ATOM 0 H2 MET A 1 -4.015 1.366 -1.973 1.00 21.05 H new ATOM 0 H3 MET A 1 -3.397 2.784 -1.273 1.00 21.05 H new ATOM 0 HA MET A 1 -2.086 0.703 -2.674 1.00 23.04 H new ATOM 0 HB2 MET A 1 -1.941 3.565 -3.647 1.00 0.21 H new ATOM 0 HB3 MET A 1 -0.474 2.605 -3.650 1.00 0.21 H new ATOM 0 HG2 MET A 1 -3.090 1.740 -4.977 1.00 24.01 H new ATOM 0 HG3 MET A 1 -1.758 2.497 -5.828 1.00 24.01 H new ATOM 0 HE1 MET A 1 -0.160 -0.549 -7.111 1.00 10.12 H new ATOM 0 HE2 MET A 1 -1.550 0.497 -7.486 1.00 10.12 H new ATOM 0 HE3 MET A 1 -0.007 1.218 -6.967 1.00 10.12 H new ATOM 18 N LYS A 2 -0.301 0.999 -1.005 1.00 12.31 N ATOM 19 CA LYS A 2 0.653 1.083 0.088 1.00 54.40 C ATOM 20 C LYS A 2 1.670 2.186 -0.212 1.00 52.23 C ATOM 21 O LYS A 2 1.679 3.224 0.448 1.00 31.12 O ATOM 22 CB LYS A 2 1.287 -0.283 0.352 1.00 64.54 C ATOM 23 CG LYS A 2 0.345 -1.179 1.158 1.00 21.23 C ATOM 24 CD LYS A 2 0.455 -0.883 2.655 1.00 22.24 C ATOM 25 CE LYS A 2 -0.263 -1.953 3.480 1.00 33.01 C ATOM 26 NZ LYS A 2 -1.593 -2.247 2.901 1.00 34.04 N ATOM 0 H LYS A 2 -0.280 0.120 -1.523 1.00 12.31 H new ATOM 0 HA LYS A 2 0.148 1.358 1.014 1.00 54.40 H new ATOM 0 HB2 LYS A 2 1.530 -0.764 -0.595 1.00 64.54 H new ATOM 0 HB3 LYS A 2 2.224 -0.154 0.894 1.00 64.54 H new ATOM 0 HG2 LYS A 2 -0.682 -1.024 0.827 1.00 21.23 H new ATOM 0 HG3 LYS A 2 0.585 -2.226 0.972 1.00 21.23 H new ATOM 0 HD2 LYS A 2 1.505 -0.839 2.944 1.00 22.24 H new ATOM 0 HD3 LYS A 2 0.025 0.095 2.868 1.00 22.24 H new ATOM 0 HE2 LYS A 2 0.337 -2.862 3.508 1.00 33.01 H new ATOM 0 HE3 LYS A 2 -0.375 -1.613 4.509 1.00 33.01 H new ATOM 0 HZ1 LYS A 2 -2.220 -2.618 3.643 1.00 34.04 H new ATOM 0 HZ2 LYS A 2 -2.000 -1.375 2.507 1.00 34.04 H new ATOM 0 HZ3 LYS A 2 -1.494 -2.955 2.146 1.00 34.04 H new ATOM 39 N SER A 3 2.502 1.924 -1.209 1.00 70.03 N ATOM 40 CA SER A 3 3.521 2.881 -1.605 1.00 51.32 C ATOM 41 C SER A 3 3.094 3.599 -2.887 1.00 45.14 C ATOM 42 O SER A 3 2.266 3.091 -3.641 1.00 62.05 O ATOM 43 CB SER A 3 4.873 2.195 -1.806 1.00 23.21 C ATOM 44 OG SER A 3 5.940 3.135 -1.904 1.00 72.13 O ATOM 0 H SER A 3 2.491 1.062 -1.755 1.00 70.03 H new ATOM 0 HA SER A 3 3.632 3.613 -0.805 1.00 51.32 H new ATOM 0 HB2 SER A 3 5.063 1.517 -0.974 1.00 23.21 H new ATOM 0 HB3 SER A 3 4.840 1.588 -2.711 1.00 23.21 H new ATOM 0 HG SER A 3 6.527 2.887 -2.648 1.00 72.13 H new ATOM 50 N THR A 4 3.680 4.770 -3.095 1.00 32.51 N ATOM 51 CA THR A 4 3.371 5.562 -4.273 1.00 11.43 C ATOM 52 C THR A 4 4.543 5.537 -5.255 1.00 65.01 C ATOM 53 O THR A 4 4.374 5.832 -6.437 1.00 42.31 O ATOM 54 CB THR A 4 2.997 6.972 -3.809 1.00 71.42 C ATOM 55 OG1 THR A 4 3.966 7.277 -2.810 1.00 42.35 O ATOM 56 CG2 THR A 4 1.664 7.007 -3.058 1.00 63.32 C ATOM 0 H THR A 4 4.367 5.189 -2.468 1.00 32.51 H new ATOM 0 HA THR A 4 2.523 5.147 -4.818 1.00 11.43 H new ATOM 0 HB THR A 4 2.945 7.636 -4.672 1.00 71.42 H new ATOM 0 HG1 THR A 4 3.799 8.175 -2.456 1.00 42.35 H new ATOM 0 HG21 THR A 4 1.446 8.030 -2.751 1.00 63.32 H new ATOM 0 HG22 THR A 4 0.869 6.647 -3.711 1.00 63.32 H new ATOM 0 HG23 THR A 4 1.726 6.369 -2.176 1.00 63.32 H new ATOM 64 N PHE A 5 5.707 5.181 -4.730 1.00 14.44 N ATOM 65 CA PHE A 5 6.907 5.114 -5.545 1.00 60.44 C ATOM 66 C PHE A 5 6.620 4.438 -6.888 1.00 2.01 C ATOM 67 O PHE A 5 7.305 4.697 -7.876 1.00 62.02 O ATOM 68 CB PHE A 5 7.926 4.274 -4.773 1.00 20.22 C ATOM 69 CG PHE A 5 7.686 2.765 -4.863 1.00 15.51 C ATOM 70 CD1 PHE A 5 6.470 2.250 -4.537 1.00 0.02 C ATOM 71 CD2 PHE A 5 8.687 1.940 -5.269 1.00 43.22 C ATOM 72 CE1 PHE A 5 6.247 0.850 -4.621 1.00 12.25 C ATOM 73 CE2 PHE A 5 8.464 0.540 -5.353 1.00 1.41 C ATOM 74 CZ PHE A 5 7.249 0.025 -5.027 1.00 34.12 C ATOM 0 H PHE A 5 5.844 4.936 -3.749 1.00 14.44 H new ATOM 0 HA PHE A 5 7.277 6.119 -5.746 1.00 60.44 H new ATOM 0 HB2 PHE A 5 8.924 4.496 -5.150 1.00 20.22 H new ATOM 0 HB3 PHE A 5 7.908 4.572 -3.725 1.00 20.22 H new ATOM 0 HD1 PHE A 5 5.675 2.905 -4.214 1.00 0.02 H new ATOM 0 HD2 PHE A 5 9.652 2.349 -5.528 1.00 43.22 H new ATOM 0 HE1 PHE A 5 5.282 0.440 -4.362 1.00 12.25 H new ATOM 0 HE2 PHE A 5 9.259 -0.115 -5.676 1.00 1.41 H new ATOM 0 HZ PHE A 5 7.079 -1.040 -5.090 1.00 34.12 H new ATOM 84 N LYS A 6 5.606 3.585 -6.880 1.00 64.02 N ATOM 85 CA LYS A 6 5.221 2.870 -8.085 1.00 15.20 C ATOM 86 C LYS A 6 4.847 3.879 -9.174 1.00 24.45 C ATOM 87 O LYS A 6 5.554 4.009 -10.172 1.00 53.21 O ATOM 88 CB LYS A 6 4.114 1.860 -7.777 1.00 73.22 C ATOM 89 CG LYS A 6 4.703 0.502 -7.390 1.00 21.11 C ATOM 90 CD LYS A 6 4.886 -0.388 -8.621 1.00 50.32 C ATOM 91 CE LYS A 6 3.617 -1.193 -8.909 1.00 24.10 C ATOM 92 NZ LYS A 6 3.623 -2.459 -8.143 1.00 34.42 N ATOM 0 H LYS A 6 5.040 3.373 -6.059 1.00 64.02 H new ATOM 0 HA LYS A 6 6.058 2.285 -8.465 1.00 15.20 H new ATOM 0 HB2 LYS A 6 3.491 2.235 -6.965 1.00 73.22 H new ATOM 0 HB3 LYS A 6 3.469 1.746 -8.648 1.00 73.22 H new ATOM 0 HG2 LYS A 6 5.663 0.646 -6.895 1.00 21.11 H new ATOM 0 HG3 LYS A 6 4.046 0.008 -6.674 1.00 21.11 H new ATOM 0 HD2 LYS A 6 5.135 0.228 -9.486 1.00 50.32 H new ATOM 0 HD3 LYS A 6 5.724 -1.067 -8.462 1.00 50.32 H new ATOM 0 HE2 LYS A 6 2.738 -0.605 -8.645 1.00 24.10 H new ATOM 0 HE3 LYS A 6 3.549 -1.406 -9.976 1.00 24.10 H new ATOM 0 HZ1 LYS A 6 2.755 -2.994 -8.349 1.00 34.42 H new ATOM 0 HZ2 LYS A 6 4.452 -3.025 -8.415 1.00 34.42 H new ATOM 0 HZ3 LYS A 6 3.666 -2.249 -7.125 1.00 34.42 H new ATOM 105 N SER A 7 3.738 4.566 -8.944 1.00 21.42 N ATOM 106 CA SER A 7 3.263 5.558 -9.892 1.00 54.35 C ATOM 107 C SER A 7 3.960 6.897 -9.643 1.00 12.15 C ATOM 108 O SER A 7 4.632 7.426 -10.527 1.00 21.43 O ATOM 109 CB SER A 7 1.745 5.725 -9.801 1.00 14.14 C ATOM 110 OG SER A 7 1.248 6.637 -10.777 1.00 34.52 O ATOM 0 H SER A 7 3.155 4.455 -8.115 1.00 21.42 H new ATOM 0 HA SER A 7 3.504 5.212 -10.897 1.00 54.35 H new ATOM 0 HB2 SER A 7 1.265 4.755 -9.934 1.00 14.14 H new ATOM 0 HB3 SER A 7 1.478 6.079 -8.805 1.00 14.14 H new ATOM 0 HG SER A 7 0.275 6.715 -10.687 1.00 34.52 H new ATOM 116 N GLU A 8 3.775 7.407 -8.434 1.00 5.22 N ATOM 117 CA GLU A 8 4.378 8.674 -8.056 1.00 43.33 C ATOM 118 C GLU A 8 5.790 8.784 -8.636 1.00 21.02 C ATOM 119 O GLU A 8 6.260 9.882 -8.931 1.00 62.40 O ATOM 120 CB GLU A 8 4.395 8.842 -6.536 1.00 23.14 C ATOM 121 CG GLU A 8 5.200 10.078 -6.129 1.00 42.02 C ATOM 122 CD GLU A 8 4.942 11.241 -7.090 1.00 34.24 C ATOM 123 OE1 GLU A 8 5.891 11.910 -7.523 1.00 24.12 O ATOM 124 OE2 GLU A 8 3.702 11.439 -7.385 1.00 35.24 O ATOM 0 H GLU A 8 3.216 6.966 -7.704 1.00 5.22 H new ATOM 0 HA GLU A 8 3.772 9.480 -8.470 1.00 43.33 H new ATOM 0 HB2 GLU A 8 3.374 8.931 -6.165 1.00 23.14 H new ATOM 0 HB3 GLU A 8 4.826 7.954 -6.073 1.00 23.14 H new ATOM 0 HG2 GLU A 8 4.932 10.373 -5.115 1.00 42.02 H new ATOM 0 HG3 GLU A 8 6.263 9.838 -6.120 1.00 42.02 H new ATOM 132 N TYR A 9 6.427 7.631 -8.781 1.00 52.22 N ATOM 133 CA TYR A 9 7.775 7.584 -9.320 1.00 64.02 C ATOM 134 C TYR A 9 7.919 6.453 -10.341 1.00 32.03 C ATOM 135 O TYR A 9 8.267 5.329 -9.982 1.00 40.13 O ATOM 136 CB TYR A 9 8.695 7.301 -8.131 1.00 1.13 C ATOM 137 CG TYR A 9 9.192 8.559 -7.416 1.00 1.05 C ATOM 138 CD1 TYR A 9 9.666 9.628 -8.149 1.00 21.02 C ATOM 139 CD2 TYR A 9 9.167 8.625 -6.037 1.00 75.13 C ATOM 140 CE1 TYR A 9 10.134 10.812 -7.476 1.00 31.13 C ATOM 141 CE2 TYR A 9 9.634 9.809 -5.364 1.00 63.22 C ATOM 142 CZ TYR A 9 10.095 10.844 -6.117 1.00 32.14 C ATOM 143 OH TYR A 9 10.537 11.962 -5.481 1.00 14.10 O ATOM 0 H TYR A 9 6.034 6.723 -8.534 1.00 52.22 H new ATOM 0 HA TYR A 9 8.019 8.519 -9.825 1.00 64.02 H new ATOM 0 HB2 TYR A 9 8.164 6.674 -7.415 1.00 1.13 H new ATOM 0 HB3 TYR A 9 9.555 6.729 -8.478 1.00 1.13 H new ATOM 0 HD1 TYR A 9 9.686 9.577 -9.228 1.00 21.02 H new ATOM 0 HD2 TYR A 9 8.797 7.788 -5.463 1.00 75.13 H new ATOM 0 HE1 TYR A 9 10.507 11.655 -8.038 1.00 31.13 H new ATOM 0 HE2 TYR A 9 9.619 9.874 -4.286 1.00 63.22 H new ATOM 0 HH TYR A 9 10.449 11.844 -4.512 1.00 14.10 H new ATOM 153 N PRO A 10 7.636 6.799 -11.625 1.00 74.42 N ATOM 154 CA PRO A 10 7.729 5.825 -12.700 1.00 44.50 C ATOM 155 C PRO A 10 9.190 5.546 -13.061 1.00 32.13 C ATOM 156 O PRO A 10 10.076 6.334 -12.734 1.00 14.24 O ATOM 157 CB PRO A 10 6.939 6.431 -13.849 1.00 22.32 C ATOM 158 CG PRO A 10 6.825 7.915 -13.540 1.00 20.31 C ATOM 159 CD PRO A 10 7.220 8.120 -12.087 1.00 21.04 C ATOM 0 HA PRO A 10 7.322 4.852 -12.423 1.00 44.50 H new ATOM 0 HB2 PRO A 10 7.446 6.268 -14.800 1.00 22.32 H new ATOM 0 HB3 PRO A 10 5.954 5.972 -13.930 1.00 22.32 H new ATOM 0 HG2 PRO A 10 7.475 8.493 -14.197 1.00 20.31 H new ATOM 0 HG3 PRO A 10 5.807 8.264 -13.712 1.00 20.31 H new ATOM 0 HD2 PRO A 10 8.029 8.844 -11.995 1.00 21.04 H new ATOM 0 HD3 PRO A 10 6.384 8.500 -11.499 1.00 21.04 H new ATOM 167 N PHE A 11 9.396 4.421 -13.730 1.00 52.21 N ATOM 168 CA PHE A 11 10.734 4.028 -14.139 1.00 35.11 C ATOM 169 C PHE A 11 11.425 5.154 -14.910 1.00 13.31 C ATOM 170 O PHE A 11 12.411 5.719 -14.440 1.00 10.15 O ATOM 171 CB PHE A 11 10.582 2.815 -15.059 1.00 35.23 C ATOM 172 CG PHE A 11 11.765 2.598 -16.004 1.00 1.41 C ATOM 173 CD1 PHE A 11 13.032 2.844 -15.574 1.00 70.24 C ATOM 174 CD2 PHE A 11 11.550 2.161 -17.273 1.00 63.45 C ATOM 175 CE1 PHE A 11 14.130 2.643 -16.452 1.00 25.24 C ATOM 176 CE2 PHE A 11 12.649 1.960 -18.151 1.00 33.34 C ATOM 177 CZ PHE A 11 13.916 2.205 -17.721 1.00 54.02 C ATOM 0 H PHE A 11 8.659 3.769 -13.999 1.00 52.21 H new ATOM 0 HA PHE A 11 11.339 3.800 -13.262 1.00 35.11 H new ATOM 0 HB2 PHE A 11 10.450 1.922 -14.447 1.00 35.23 H new ATOM 0 HB3 PHE A 11 9.674 2.932 -15.651 1.00 35.23 H new ATOM 0 HD1 PHE A 11 13.203 3.192 -14.566 1.00 70.24 H new ATOM 0 HD2 PHE A 11 10.544 1.967 -17.614 1.00 63.45 H new ATOM 0 HE1 PHE A 11 15.136 2.838 -16.111 1.00 25.24 H new ATOM 0 HE2 PHE A 11 12.478 1.613 -19.159 1.00 33.34 H new ATOM 0 HZ PHE A 11 14.752 2.052 -18.388 1.00 54.02 H new ATOM 187 N GLU A 12 10.880 5.447 -16.081 1.00 52.35 N ATOM 188 CA GLU A 12 11.432 6.496 -16.922 1.00 53.03 C ATOM 189 C GLU A 12 11.887 7.679 -16.065 1.00 71.03 C ATOM 190 O GLU A 12 12.978 8.211 -16.265 1.00 14.31 O ATOM 191 CB GLU A 12 10.419 6.942 -17.979 1.00 33.05 C ATOM 192 CG GLU A 12 10.271 5.887 -19.076 1.00 72.34 C ATOM 193 CD GLU A 12 9.271 4.804 -18.665 1.00 53.23 C ATOM 194 OE1 GLU A 12 9.475 3.621 -18.975 1.00 43.13 O ATOM 195 OE2 GLU A 12 8.251 5.229 -17.999 1.00 30.31 O ATOM 0 H GLU A 12 10.062 4.977 -16.468 1.00 52.35 H new ATOM 0 HA GLU A 12 12.301 6.096 -17.445 1.00 53.03 H new ATOM 0 HB2 GLU A 12 9.452 7.121 -17.509 1.00 33.05 H new ATOM 0 HB3 GLU A 12 10.739 7.887 -18.419 1.00 33.05 H new ATOM 0 HG2 GLU A 12 9.939 6.362 -19.999 1.00 72.34 H new ATOM 0 HG3 GLU A 12 11.240 5.433 -19.282 1.00 72.34 H new ATOM 203 N LYS A 13 11.028 8.056 -15.129 1.00 61.43 N ATOM 204 CA LYS A 13 11.328 9.166 -14.241 1.00 64.22 C ATOM 205 C LYS A 13 12.634 8.879 -13.496 1.00 74.34 C ATOM 206 O LYS A 13 13.654 9.513 -13.758 1.00 64.05 O ATOM 207 CB LYS A 13 10.142 9.448 -13.317 1.00 3.41 C ATOM 208 CG LYS A 13 10.523 10.453 -12.227 1.00 65.52 C ATOM 209 CD LYS A 13 10.528 11.881 -12.775 1.00 40.02 C ATOM 210 CE LYS A 13 11.915 12.265 -13.294 1.00 62.32 C ATOM 211 NZ LYS A 13 12.722 12.875 -12.214 1.00 41.10 N ATOM 0 H LYS A 13 10.124 7.612 -14.966 1.00 61.43 H new ATOM 0 HA LYS A 13 11.481 10.081 -14.813 1.00 64.22 H new ATOM 0 HB2 LYS A 13 9.307 9.837 -13.900 1.00 3.41 H new ATOM 0 HB3 LYS A 13 9.805 8.519 -12.858 1.00 3.41 H new ATOM 0 HG2 LYS A 13 9.819 10.380 -11.398 1.00 65.52 H new ATOM 0 HG3 LYS A 13 11.508 10.208 -11.830 1.00 65.52 H new ATOM 0 HD2 LYS A 13 9.798 11.968 -13.580 1.00 40.02 H new ATOM 0 HD3 LYS A 13 10.224 12.576 -11.992 1.00 40.02 H new ATOM 0 HE2 LYS A 13 12.423 11.381 -13.680 1.00 62.32 H new ATOM 0 HE3 LYS A 13 11.818 12.965 -14.124 1.00 62.32 H new ATOM 0 HZ1 LYS A 13 13.726 12.866 -12.484 1.00 41.10 H new ATOM 0 HZ2 LYS A 13 12.413 13.856 -12.062 1.00 41.10 H new ATOM 0 HZ3 LYS A 13 12.594 12.332 -11.336 1.00 41.10 H new ATOM 224 N ARG A 14 12.558 7.922 -12.582 1.00 42.45 N ATOM 225 CA ARG A 14 13.721 7.544 -11.798 1.00 21.41 C ATOM 226 C ARG A 14 14.974 7.532 -12.677 1.00 15.14 C ATOM 227 O ARG A 14 15.934 8.250 -12.404 1.00 2.23 O ATOM 228 CB ARG A 14 13.535 6.161 -11.169 1.00 52.32 C ATOM 229 CG ARG A 14 12.377 6.165 -10.169 1.00 51.31 C ATOM 230 CD ARG A 14 12.516 5.020 -9.164 1.00 63.13 C ATOM 231 NE ARG A 14 11.704 5.302 -7.960 1.00 24.15 N ATOM 232 CZ ARG A 14 11.955 6.310 -7.097 1.00 75.11 C ATOM 233 NH1 ARG A 14 12.998 7.142 -7.300 1.00 22.23 N ATOM 234 NH2 ARG A 14 11.163 6.470 -6.053 1.00 25.35 N ATOM 0 H ARG A 14 11.710 7.398 -12.367 1.00 42.45 H new ATOM 0 HA ARG A 14 13.838 8.280 -11.003 1.00 21.41 H new ATOM 0 HB2 ARG A 14 13.343 5.425 -11.950 1.00 52.32 H new ATOM 0 HB3 ARG A 14 14.454 5.860 -10.666 1.00 52.32 H new ATOM 0 HG2 ARG A 14 12.353 7.117 -9.639 1.00 51.31 H new ATOM 0 HG3 ARG A 14 11.431 6.073 -10.702 1.00 51.31 H new ATOM 0 HD2 ARG A 14 12.193 4.084 -9.620 1.00 63.13 H new ATOM 0 HD3 ARG A 14 13.562 4.894 -8.886 1.00 63.13 H new ATOM 0 HE ARG A 14 10.905 4.697 -7.770 1.00 24.15 H new ATOM 0 HH11 ARG A 14 13.604 7.012 -8.110 1.00 22.23 H new ATOM 0 HH12 ARG A 14 13.180 7.901 -6.643 1.00 22.23 H new ATOM 0 HH21 ARG A 14 10.376 5.837 -5.908 1.00 25.35 H new ATOM 0 HH22 ARG A 14 11.338 7.226 -5.391 1.00 25.35 H new ATOM 247 N LYS A 15 14.922 6.709 -13.714 1.00 4.14 N ATOM 248 CA LYS A 15 16.041 6.595 -14.634 1.00 71.30 C ATOM 249 C LYS A 15 16.608 7.987 -14.917 1.00 13.43 C ATOM 250 O LYS A 15 17.823 8.172 -14.949 1.00 64.12 O ATOM 251 CB LYS A 15 15.623 5.834 -15.894 1.00 35.33 C ATOM 252 CG LYS A 15 16.646 6.025 -17.015 1.00 72.11 C ATOM 253 CD LYS A 15 16.442 4.992 -18.125 1.00 24.41 C ATOM 254 CE LYS A 15 15.476 5.514 -19.190 1.00 32.33 C ATOM 255 NZ LYS A 15 16.027 6.723 -19.841 1.00 55.05 N ATOM 0 H LYS A 15 14.123 6.115 -13.937 1.00 4.14 H new ATOM 0 HA LYS A 15 16.843 6.009 -14.186 1.00 71.30 H new ATOM 0 HB2 LYS A 15 15.522 4.773 -15.666 1.00 35.33 H new ATOM 0 HB3 LYS A 15 14.645 6.183 -16.226 1.00 35.33 H new ATOM 0 HG2 LYS A 15 16.556 7.030 -17.427 1.00 72.11 H new ATOM 0 HG3 LYS A 15 17.654 5.936 -16.611 1.00 72.11 H new ATOM 0 HD2 LYS A 15 17.401 4.753 -18.585 1.00 24.41 H new ATOM 0 HD3 LYS A 15 16.054 4.067 -17.699 1.00 24.41 H new ATOM 0 HE2 LYS A 15 15.297 4.741 -19.937 1.00 32.33 H new ATOM 0 HE3 LYS A 15 14.513 5.746 -18.734 1.00 32.33 H new ATOM 0 HZ1 LYS A 15 15.658 6.794 -20.811 1.00 55.05 H new ATOM 0 HZ2 LYS A 15 15.746 7.566 -19.301 1.00 55.05 H new ATOM 0 HZ3 LYS A 15 17.065 6.660 -19.869 1.00 55.05 H new ATOM 268 N ALA A 16 15.700 8.932 -15.114 1.00 72.11 N ATOM 269 CA ALA A 16 16.094 10.302 -15.393 1.00 0.41 C ATOM 270 C ALA A 16 16.797 10.886 -14.166 1.00 24.11 C ATOM 271 O ALA A 16 17.959 11.282 -14.242 1.00 25.32 O ATOM 272 CB ALA A 16 14.863 11.115 -15.801 1.00 24.21 C ATOM 0 H ALA A 16 14.692 8.775 -15.086 1.00 72.11 H new ATOM 0 HA ALA A 16 16.798 10.337 -16.224 1.00 0.41 H new ATOM 0 HB1 ALA A 16 15.159 12.143 -16.010 1.00 24.21 H new ATOM 0 HB2 ALA A 16 14.417 10.677 -16.694 1.00 24.21 H new ATOM 0 HB3 ALA A 16 14.135 11.105 -14.990 1.00 24.21 H new ATOM 278 N GLU A 17 16.063 10.921 -13.064 1.00 22.25 N ATOM 279 CA GLU A 17 16.602 11.449 -11.822 1.00 0.31 C ATOM 280 C GLU A 17 18.058 11.014 -11.647 1.00 63.13 C ATOM 281 O GLU A 17 18.908 11.816 -11.264 1.00 2.31 O ATOM 282 CB GLU A 17 15.753 11.014 -10.626 1.00 74.12 C ATOM 283 CG GLU A 17 15.641 12.138 -9.595 1.00 14.43 C ATOM 284 CD GLU A 17 14.376 12.969 -9.824 1.00 21.31 C ATOM 285 OE1 GLU A 17 13.263 12.422 -9.804 1.00 63.15 O ATOM 286 OE2 GLU A 17 14.579 14.226 -10.027 1.00 1.44 O ATOM 0 H GLU A 17 15.099 10.592 -13.005 1.00 22.25 H new ATOM 0 HA GLU A 17 16.572 12.537 -11.871 1.00 0.31 H new ATOM 0 HB2 GLU A 17 14.758 10.728 -10.967 1.00 74.12 H new ATOM 0 HB3 GLU A 17 16.196 10.133 -10.162 1.00 74.12 H new ATOM 0 HG2 GLU A 17 15.625 11.715 -8.591 1.00 14.43 H new ATOM 0 HG3 GLU A 17 16.519 12.781 -9.656 1.00 14.43 H new ATOM 294 N SER A 18 18.302 9.744 -11.937 1.00 53.21 N ATOM 295 CA SER A 18 19.641 9.192 -11.817 1.00 14.50 C ATOM 296 C SER A 18 20.584 9.891 -12.798 1.00 4.22 C ATOM 297 O SER A 18 21.689 10.286 -12.428 1.00 11.25 O ATOM 298 CB SER A 18 19.639 7.683 -12.066 1.00 74.02 C ATOM 299 OG SER A 18 19.814 7.369 -13.445 1.00 53.43 O ATOM 0 H SER A 18 17.595 9.081 -12.255 1.00 53.21 H new ATOM 0 HA SER A 18 19.992 9.364 -10.800 1.00 14.50 H new ATOM 0 HB2 SER A 18 20.436 7.219 -11.485 1.00 74.02 H new ATOM 0 HB3 SER A 18 18.699 7.259 -11.714 1.00 74.02 H new ATOM 0 HG SER A 18 19.057 7.719 -13.959 1.00 53.43 H new ATOM 305 N GLU A 19 20.115 10.022 -14.030 1.00 13.34 N ATOM 306 CA GLU A 19 20.903 10.667 -15.067 1.00 30.55 C ATOM 307 C GLU A 19 21.414 12.024 -14.579 1.00 23.54 C ATOM 308 O GLU A 19 22.451 12.501 -15.036 1.00 43.12 O ATOM 309 CB GLU A 19 20.094 10.817 -16.356 1.00 61.14 C ATOM 310 CG GLU A 19 19.735 9.449 -16.941 1.00 14.32 C ATOM 311 CD GLU A 19 20.816 8.965 -17.909 1.00 1.32 C ATOM 312 OE1 GLU A 19 20.922 9.484 -19.030 1.00 51.30 O ATOM 313 OE2 GLU A 19 21.564 8.015 -17.460 1.00 2.23 O ATOM 0 H GLU A 19 19.199 9.692 -14.334 1.00 13.34 H new ATOM 0 HA GLU A 19 21.763 10.035 -15.288 1.00 30.55 H new ATOM 0 HB2 GLU A 19 19.183 11.381 -16.154 1.00 61.14 H new ATOM 0 HB3 GLU A 19 20.668 11.389 -17.085 1.00 61.14 H new ATOM 0 HG2 GLU A 19 19.614 8.725 -16.135 1.00 14.32 H new ATOM 0 HG3 GLU A 19 18.779 9.511 -17.460 1.00 14.32 H new ATOM 321 N ARG A 20 20.663 12.606 -13.656 1.00 51.31 N ATOM 322 CA ARG A 20 21.027 13.899 -13.101 1.00 61.12 C ATOM 323 C ARG A 20 22.117 13.733 -12.040 1.00 15.02 C ATOM 324 O ARG A 20 23.141 14.413 -12.085 1.00 34.12 O ATOM 325 CB ARG A 20 19.815 14.590 -12.474 1.00 51.41 C ATOM 326 CG ARG A 20 18.797 14.989 -13.544 1.00 52.33 C ATOM 327 CD ARG A 20 17.459 15.378 -12.911 1.00 63.10 C ATOM 328 NE ARG A 20 17.660 16.474 -11.937 1.00 71.00 N ATOM 329 CZ ARG A 20 16.658 17.202 -11.400 1.00 10.01 C ATOM 330 NH1 ARG A 20 15.374 16.956 -11.738 1.00 65.13 N ATOM 331 NH2 ARG A 20 16.952 18.158 -10.539 1.00 1.32 N ATOM 0 H ARG A 20 19.804 12.206 -13.278 1.00 51.31 H new ATOM 0 HA ARG A 20 21.401 14.517 -13.917 1.00 61.12 H new ATOM 0 HB2 ARG A 20 19.345 13.923 -11.751 1.00 51.41 H new ATOM 0 HB3 ARG A 20 20.139 15.475 -11.927 1.00 51.41 H new ATOM 0 HG2 ARG A 20 19.185 15.825 -14.126 1.00 52.33 H new ATOM 0 HG3 ARG A 20 18.648 14.160 -14.236 1.00 52.33 H new ATOM 0 HD2 ARG A 20 16.759 15.692 -13.685 1.00 63.10 H new ATOM 0 HD3 ARG A 20 17.018 14.514 -12.413 1.00 63.10 H new ATOM 0 HE ARG A 20 18.615 16.693 -11.654 1.00 71.00 H new ATOM 0 HH11 ARG A 20 15.155 16.215 -12.404 1.00 65.13 H new ATOM 0 HH12 ARG A 20 14.623 17.511 -11.327 1.00 65.13 H new ATOM 0 HH21 ARG A 20 17.924 18.337 -10.289 1.00 1.32 H new ATOM 0 HH22 ARG A 20 16.207 18.717 -10.124 1.00 1.32 H new ATOM 344 N ILE A 21 21.859 12.825 -11.110 1.00 13.32 N ATOM 345 CA ILE A 21 22.805 12.561 -10.039 1.00 13.51 C ATOM 346 C ILE A 21 24.128 12.084 -10.640 1.00 23.14 C ATOM 347 O ILE A 21 25.183 12.230 -10.023 1.00 54.31 O ATOM 348 CB ILE A 21 22.205 11.589 -9.022 1.00 34.15 C ATOM 349 CG1 ILE A 21 21.261 12.314 -8.060 1.00 3.42 C ATOM 350 CG2 ILE A 21 23.303 10.825 -8.280 1.00 21.14 C ATOM 351 CD1 ILE A 21 20.582 11.327 -7.109 1.00 72.20 C ATOM 0 H ILE A 21 21.008 12.263 -11.076 1.00 13.32 H new ATOM 0 HA ILE A 21 23.018 13.475 -9.484 1.00 13.51 H new ATOM 0 HB ILE A 21 21.610 10.853 -9.563 1.00 34.15 H new ATOM 0 HG12 ILE A 21 21.819 13.053 -7.485 1.00 3.42 H new ATOM 0 HG13 ILE A 21 20.505 12.857 -8.627 1.00 3.42 H new ATOM 0 HG21 ILE A 21 22.849 10.141 -7.563 1.00 21.14 H new ATOM 0 HG22 ILE A 21 23.899 10.258 -8.995 1.00 21.14 H new ATOM 0 HG23 ILE A 21 23.944 11.531 -7.752 1.00 21.14 H new ATOM 0 HD11 ILE A 21 19.917 11.869 -6.436 1.00 72.20 H new ATOM 0 HD12 ILE A 21 20.005 10.604 -7.686 1.00 72.20 H new ATOM 0 HD13 ILE A 21 21.340 10.804 -6.526 1.00 72.20 H new ATOM 363 N ALA A 22 24.030 11.523 -11.836 1.00 21.53 N ATOM 364 CA ALA A 22 25.207 11.023 -12.527 1.00 34.44 C ATOM 365 C ALA A 22 25.920 12.187 -13.217 1.00 25.42 C ATOM 366 O ALA A 22 27.130 12.137 -13.432 1.00 45.33 O ATOM 367 CB ALA A 22 24.794 9.926 -13.510 1.00 54.14 C ATOM 0 H ALA A 22 23.154 11.403 -12.345 1.00 21.53 H new ATOM 0 HA ALA A 22 25.908 10.580 -11.820 1.00 34.44 H new ATOM 0 HB1 ALA A 22 25.676 9.551 -14.028 1.00 54.14 H new ATOM 0 HB2 ALA A 22 24.319 9.110 -12.966 1.00 54.14 H new ATOM 0 HB3 ALA A 22 24.092 10.334 -14.237 1.00 54.14 H new ATOM 373 N ASP A 23 25.141 13.207 -13.544 1.00 71.52 N ATOM 374 CA ASP A 23 25.683 14.381 -14.206 1.00 4.14 C ATOM 375 C ASP A 23 26.122 15.398 -13.150 1.00 52.43 C ATOM 376 O ASP A 23 26.853 16.340 -13.456 1.00 35.51 O ATOM 377 CB ASP A 23 24.632 15.047 -15.096 1.00 22.31 C ATOM 378 CG ASP A 23 25.187 15.753 -16.334 1.00 43.23 C ATOM 379 OD1 ASP A 23 26.276 15.421 -16.825 1.00 25.41 O ATOM 380 OD2 ASP A 23 24.442 16.695 -16.805 1.00 12.14 O ATOM 0 H ASP A 23 24.138 13.245 -13.363 1.00 71.52 H new ATOM 0 HA ASP A 23 26.525 14.063 -14.820 1.00 4.14 H new ATOM 0 HB2 ASP A 23 23.918 14.289 -15.418 1.00 22.31 H new ATOM 0 HB3 ASP A 23 24.080 15.773 -14.499 1.00 22.31 H new ATOM 386 N ARG A 24 25.657 15.175 -11.930 1.00 21.31 N ATOM 387 CA ARG A 24 25.992 16.060 -10.828 1.00 1.25 C ATOM 388 C ARG A 24 27.012 15.393 -9.902 1.00 14.20 C ATOM 389 O ARG A 24 28.129 15.884 -9.746 1.00 54.44 O ATOM 390 CB ARG A 24 24.746 16.430 -10.020 1.00 43.33 C ATOM 391 CG ARG A 24 24.906 17.803 -9.363 1.00 65.31 C ATOM 392 CD ARG A 24 26.328 17.992 -8.829 1.00 14.14 C ATOM 393 NE ARG A 24 26.387 19.192 -7.964 1.00 64.12 N ATOM 394 CZ ARG A 24 27.501 19.611 -7.327 1.00 24.21 C ATOM 395 NH1 ARG A 24 28.660 18.929 -7.452 1.00 72.01 N ATOM 396 NH2 ARG A 24 27.441 20.697 -6.579 1.00 51.14 N ATOM 0 H ARG A 24 25.051 14.394 -11.680 1.00 21.31 H new ATOM 0 HA ARG A 24 26.420 16.969 -11.251 1.00 1.25 H new ATOM 0 HB2 ARG A 24 23.873 16.435 -10.673 1.00 43.33 H new ATOM 0 HB3 ARG A 24 24.567 15.675 -9.254 1.00 43.33 H new ATOM 0 HG2 ARG A 24 24.678 18.585 -10.087 1.00 65.31 H new ATOM 0 HG3 ARG A 24 24.190 17.906 -8.547 1.00 65.31 H new ATOM 0 HD2 ARG A 24 26.634 17.111 -8.265 1.00 14.14 H new ATOM 0 HD3 ARG A 24 27.026 18.097 -9.659 1.00 14.14 H new ATOM 0 HE ARG A 24 25.533 19.736 -7.842 1.00 64.12 H new ATOM 0 HH11 ARG A 24 28.698 18.090 -8.031 1.00 72.01 H new ATOM 0 HH12 ARG A 24 29.497 19.253 -6.967 1.00 72.01 H new ATOM 0 HH21 ARG A 24 26.562 21.206 -6.489 1.00 51.14 H new ATOM 0 HH22 ARG A 24 28.274 21.027 -6.091 1.00 51.14 H new ATOM 409 N PHE A 25 26.591 14.284 -9.312 1.00 14.44 N ATOM 410 CA PHE A 25 27.453 13.545 -8.406 1.00 2.14 C ATOM 411 C PHE A 25 27.647 12.105 -8.885 1.00 53.13 C ATOM 412 O PHE A 25 27.050 11.179 -8.338 1.00 53.23 O ATOM 413 CB PHE A 25 26.759 13.527 -7.042 1.00 71.13 C ATOM 414 CG PHE A 25 26.056 14.838 -6.684 1.00 45.22 C ATOM 415 CD1 PHE A 25 26.784 15.904 -6.254 1.00 32.45 C ATOM 416 CD2 PHE A 25 24.705 14.938 -6.797 1.00 11.25 C ATOM 417 CE1 PHE A 25 26.132 17.120 -5.921 1.00 51.51 C ATOM 418 CE2 PHE A 25 24.053 16.155 -6.464 1.00 51.21 C ATOM 419 CZ PHE A 25 24.780 17.221 -6.033 1.00 63.44 C ATOM 0 H PHE A 25 25.664 13.879 -9.444 1.00 14.44 H new ATOM 0 HA PHE A 25 28.434 14.018 -8.357 1.00 2.14 H new ATOM 0 HB2 PHE A 25 26.027 12.719 -7.029 1.00 71.13 H new ATOM 0 HB3 PHE A 25 27.498 13.301 -6.273 1.00 71.13 H new ATOM 0 HD1 PHE A 25 27.858 15.825 -6.166 1.00 32.45 H new ATOM 0 HD2 PHE A 25 24.128 14.092 -7.140 1.00 11.25 H new ATOM 0 HE1 PHE A 25 26.710 17.966 -5.578 1.00 51.51 H new ATOM 0 HE2 PHE A 25 22.980 16.234 -6.553 1.00 51.21 H new ATOM 0 HZ PHE A 25 24.284 18.147 -5.780 1.00 63.44 H new ATOM 429 N PRO A 26 28.506 11.958 -9.929 1.00 74.25 N ATOM 430 CA PRO A 26 28.785 10.646 -10.489 1.00 43.41 C ATOM 431 C PRO A 26 29.709 9.844 -9.571 1.00 3.02 C ATOM 432 O PRO A 26 30.060 8.706 -9.878 1.00 61.20 O ATOM 433 CB PRO A 26 29.397 10.923 -11.853 1.00 30.12 C ATOM 434 CG PRO A 26 29.864 12.369 -11.815 1.00 23.25 C ATOM 435 CD PRO A 26 29.230 13.032 -10.602 1.00 64.45 C ATOM 0 HA PRO A 26 27.891 10.031 -10.586 1.00 43.41 H new ATOM 0 HB2 PRO A 26 30.230 10.249 -12.051 1.00 30.12 H new ATOM 0 HB3 PRO A 26 28.666 10.769 -12.647 1.00 30.12 H new ATOM 0 HG2 PRO A 26 30.951 12.418 -11.752 1.00 23.25 H new ATOM 0 HG3 PRO A 26 29.574 12.888 -12.729 1.00 23.25 H new ATOM 0 HD2 PRO A 26 29.986 13.470 -9.950 1.00 64.45 H new ATOM 0 HD3 PRO A 26 28.558 13.838 -10.897 1.00 64.45 H new ATOM 443 N ASN A 27 30.077 10.469 -8.462 1.00 2.00 N ATOM 444 CA ASN A 27 30.954 9.827 -7.497 1.00 14.42 C ATOM 445 C ASN A 27 30.124 9.339 -6.307 1.00 45.31 C ATOM 446 O ASN A 27 30.674 9.005 -5.259 1.00 32.33 O ATOM 447 CB ASN A 27 32.004 10.807 -6.971 1.00 24.04 C ATOM 448 CG ASN A 27 33.055 11.111 -8.040 1.00 63.42 C ATOM 449 OD1 ASN A 27 32.563 11.683 -9.135 1.00 1.22 O flip ATOM 450 ND2 ASN A 27 34.235 10.843 -7.882 1.00 60.33 N flip ATOM 0 H ASN A 27 29.784 11.413 -8.210 1.00 2.00 H new ATOM 0 HA ASN A 27 31.454 8.996 -7.995 1.00 14.42 H new ATOM 0 HB2 ASN A 27 31.519 11.732 -6.659 1.00 24.04 H new ATOM 0 HB3 ASN A 27 32.488 10.388 -6.089 1.00 24.04 H new ATOM 0 HD21 ASN A 27 34.547 10.404 -7.016 1.00 60.33 H new ATOM 0 HD22 ASN A 27 34.910 11.058 -8.616 1.00 60.33 H new ATOM 457 N ARG A 28 28.815 9.314 -6.510 1.00 4.34 N ATOM 458 CA ARG A 28 27.905 8.873 -5.467 1.00 20.23 C ATOM 459 C ARG A 28 27.184 7.594 -5.898 1.00 52.20 C ATOM 460 O ARG A 28 27.440 7.068 -6.980 1.00 34.21 O ATOM 461 CB ARG A 28 26.869 9.952 -5.147 1.00 75.13 C ATOM 462 CG ARG A 28 27.490 11.082 -4.324 1.00 35.03 C ATOM 463 CD ARG A 28 27.745 10.634 -2.883 1.00 51.11 C ATOM 464 NE ARG A 28 27.773 11.810 -1.985 1.00 41.00 N ATOM 465 CZ ARG A 28 28.846 12.613 -1.823 1.00 1.01 C ATOM 466 NH1 ARG A 28 29.990 12.373 -2.499 1.00 31.14 N ATOM 467 NH2 ARG A 28 28.760 13.637 -0.994 1.00 22.53 N ATOM 0 H ARG A 28 28.363 9.592 -7.381 1.00 4.34 H new ATOM 0 HA ARG A 28 28.496 8.677 -4.572 1.00 20.23 H new ATOM 0 HB2 ARG A 28 26.460 10.355 -6.074 1.00 75.13 H new ATOM 0 HB3 ARG A 28 26.038 9.511 -4.597 1.00 75.13 H new ATOM 0 HG2 ARG A 28 28.427 11.398 -4.782 1.00 35.03 H new ATOM 0 HG3 ARG A 28 26.826 11.947 -4.328 1.00 35.03 H new ATOM 0 HD2 ARG A 28 26.965 9.942 -2.565 1.00 51.11 H new ATOM 0 HD3 ARG A 28 28.692 10.097 -2.822 1.00 51.11 H new ATOM 0 HE ARG A 28 26.929 12.027 -1.455 1.00 41.00 H new ATOM 0 HH11 ARG A 28 30.048 11.580 -3.138 1.00 31.14 H new ATOM 0 HH12 ARG A 28 30.796 12.985 -2.371 1.00 31.14 H new ATOM 0 HH21 ARG A 28 27.892 13.812 -0.487 1.00 22.53 H new ATOM 0 HH22 ARG A 28 29.562 14.253 -0.860 1.00 22.53 H new ATOM 480 N ILE A 29 26.296 7.132 -5.030 1.00 25.34 N ATOM 481 CA ILE A 29 25.536 5.925 -5.307 1.00 64.21 C ATOM 482 C ILE A 29 24.151 6.041 -4.668 1.00 4.15 C ATOM 483 O ILE A 29 23.966 5.674 -3.508 1.00 43.13 O ATOM 484 CB ILE A 29 26.317 4.686 -4.863 1.00 11.10 C ATOM 485 CG1 ILE A 29 27.738 4.702 -5.429 1.00 24.42 C ATOM 486 CG2 ILE A 29 25.567 3.404 -5.232 1.00 1.33 C ATOM 487 CD1 ILE A 29 28.516 3.458 -4.992 1.00 0.51 C ATOM 0 H ILE A 29 26.086 7.572 -4.134 1.00 25.34 H new ATOM 0 HA ILE A 29 25.383 5.809 -6.380 1.00 64.21 H new ATOM 0 HB ILE A 29 26.403 4.707 -3.777 1.00 11.10 H new ATOM 0 HG12 ILE A 29 27.699 4.748 -6.517 1.00 24.42 H new ATOM 0 HG13 ILE A 29 28.258 5.598 -5.091 1.00 24.42 H new ATOM 0 HG21 ILE A 29 26.143 2.538 -4.905 1.00 1.33 H new ATOM 0 HG22 ILE A 29 24.594 3.398 -4.741 1.00 1.33 H new ATOM 0 HG23 ILE A 29 25.429 3.361 -6.312 1.00 1.33 H new ATOM 0 HD11 ILE A 29 29.523 3.494 -5.408 1.00 0.51 H new ATOM 0 HD12 ILE A 29 28.574 3.428 -3.904 1.00 0.51 H new ATOM 0 HD13 ILE A 29 28.006 2.565 -5.353 1.00 0.51 H new ATOM 499 N PRO A 30 23.189 6.567 -5.472 1.00 21.11 N ATOM 500 CA PRO A 30 21.827 6.736 -4.997 1.00 14.23 C ATOM 501 C PRO A 30 21.095 5.394 -4.940 1.00 73.23 C ATOM 502 O PRO A 30 20.636 4.889 -5.964 1.00 52.40 O ATOM 503 CB PRO A 30 21.191 7.719 -5.966 1.00 50.13 C ATOM 504 CG PRO A 30 22.067 7.705 -7.208 1.00 44.41 C ATOM 505 CD PRO A 30 23.372 7.013 -6.850 1.00 61.42 C ATOM 0 HA PRO A 30 21.782 7.118 -3.977 1.00 14.23 H new ATOM 0 HB2 PRO A 30 20.169 7.426 -6.206 1.00 50.13 H new ATOM 0 HB3 PRO A 30 21.143 8.718 -5.533 1.00 50.13 H new ATOM 0 HG2 PRO A 30 21.567 7.180 -8.022 1.00 44.41 H new ATOM 0 HG3 PRO A 30 22.256 8.721 -7.553 1.00 44.41 H new ATOM 0 HD2 PRO A 30 23.570 6.173 -7.515 1.00 61.42 H new ATOM 0 HD3 PRO A 30 24.218 7.694 -6.937 1.00 61.42 H new ATOM 513 N VAL A 31 21.008 4.853 -3.734 1.00 3.43 N ATOM 514 CA VAL A 31 20.340 3.579 -3.530 1.00 52.34 C ATOM 515 C VAL A 31 18.839 3.819 -3.350 1.00 65.40 C ATOM 516 O VAL A 31 18.413 4.944 -3.095 1.00 31.31 O ATOM 517 CB VAL A 31 20.973 2.838 -2.351 1.00 1.51 C ATOM 518 CG1 VAL A 31 20.208 3.115 -1.055 1.00 42.41 C ATOM 519 CG2 VAL A 31 21.057 1.336 -2.628 1.00 54.22 C ATOM 0 H VAL A 31 21.390 5.274 -2.887 1.00 3.43 H new ATOM 0 HA VAL A 31 20.465 2.938 -4.403 1.00 52.34 H new ATOM 0 HB VAL A 31 21.989 3.212 -2.227 1.00 1.51 H new ATOM 0 HG11 VAL A 31 20.679 2.576 -0.232 1.00 42.41 H new ATOM 0 HG12 VAL A 31 20.224 4.184 -0.845 1.00 42.41 H new ATOM 0 HG13 VAL A 31 19.176 2.782 -1.163 1.00 42.41 H new ATOM 0 HG21 VAL A 31 21.511 0.833 -1.774 1.00 54.22 H new ATOM 0 HG22 VAL A 31 20.055 0.940 -2.792 1.00 54.22 H new ATOM 0 HG23 VAL A 31 21.665 1.163 -3.516 1.00 54.22 H new ATOM 529 N ILE A 32 18.080 2.742 -3.490 1.00 20.03 N ATOM 530 CA ILE A 32 16.636 2.821 -3.345 1.00 63.34 C ATOM 531 C ILE A 32 16.154 1.674 -2.455 1.00 31.21 C ATOM 532 O ILE A 32 15.874 0.580 -2.943 1.00 23.23 O ATOM 533 CB ILE A 32 15.962 2.859 -4.718 1.00 71.23 C ATOM 534 CG1 ILE A 32 16.219 4.195 -5.419 1.00 22.34 C ATOM 535 CG2 ILE A 32 14.468 2.550 -4.604 1.00 13.01 C ATOM 536 CD1 ILE A 32 15.450 5.328 -4.737 1.00 54.04 C ATOM 0 H ILE A 32 18.437 1.811 -3.702 1.00 20.03 H new ATOM 0 HA ILE A 32 16.352 3.750 -2.850 1.00 63.34 H new ATOM 0 HB ILE A 32 16.406 2.080 -5.338 1.00 71.23 H new ATOM 0 HG12 ILE A 32 17.286 4.416 -5.408 1.00 22.34 H new ATOM 0 HG13 ILE A 32 15.919 4.125 -6.465 1.00 22.34 H new ATOM 0 HG21 ILE A 32 14.013 2.584 -5.594 1.00 13.01 H new ATOM 0 HG22 ILE A 32 14.334 1.556 -4.176 1.00 13.01 H new ATOM 0 HG23 ILE A 32 13.992 3.290 -3.960 1.00 13.01 H new ATOM 0 HD11 ILE A 32 15.650 6.266 -5.254 1.00 54.04 H new ATOM 0 HD12 ILE A 32 14.382 5.115 -4.772 1.00 54.04 H new ATOM 0 HD13 ILE A 32 15.770 5.411 -3.698 1.00 54.04 H new ATOM 548 N CYS A 33 16.071 1.964 -1.165 1.00 20.52 N ATOM 549 CA CYS A 33 15.627 0.970 -0.202 1.00 2.13 C ATOM 550 C CYS A 33 14.118 1.129 -0.008 1.00 51.14 C ATOM 551 O CYS A 33 13.564 2.196 -0.268 1.00 43.41 O ATOM 552 CB CYS A 33 16.387 1.086 1.121 1.00 23.32 C ATOM 553 SG CYS A 33 17.878 0.025 1.081 1.00 30.11 S ATOM 0 H CYS A 33 16.304 2.873 -0.764 1.00 20.52 H new ATOM 0 HA CYS A 33 15.840 -0.029 -0.582 1.00 2.13 H new ATOM 0 HB2 CYS A 33 16.673 2.123 1.296 1.00 23.32 H new ATOM 0 HB3 CYS A 33 15.742 0.790 1.948 1.00 23.32 H new ATOM 0 HG CYS A 33 18.818 0.570 1.795 1.00 30.11 H new ATOM 559 N GLU A 34 13.495 0.052 0.446 1.00 70.41 N ATOM 560 CA GLU A 34 12.060 0.058 0.677 1.00 44.21 C ATOM 561 C GLU A 34 11.710 -0.839 1.866 1.00 2.40 C ATOM 562 O GLU A 34 11.967 -2.041 1.838 1.00 71.21 O ATOM 563 CB GLU A 34 11.301 -0.375 -0.579 1.00 11.33 C ATOM 564 CG GLU A 34 11.927 -1.628 -1.194 1.00 2.14 C ATOM 565 CD GLU A 34 10.876 -2.462 -1.928 1.00 33.52 C ATOM 566 OE1 GLU A 34 11.007 -2.700 -3.138 1.00 23.43 O ATOM 567 OE2 GLU A 34 9.895 -2.870 -1.196 1.00 13.01 O ATOM 0 H GLU A 34 13.958 -0.831 0.660 1.00 70.41 H new ATOM 0 HA GLU A 34 11.754 1.077 0.913 1.00 44.21 H new ATOM 0 HB2 GLU A 34 10.258 -0.571 -0.329 1.00 11.33 H new ATOM 0 HB3 GLU A 34 11.307 0.434 -1.309 1.00 11.33 H new ATOM 0 HG2 GLU A 34 12.718 -1.341 -1.887 1.00 2.14 H new ATOM 0 HG3 GLU A 34 12.391 -2.228 -0.412 1.00 2.14 H new ATOM 575 N LYS A 35 11.129 -0.219 2.883 1.00 43.22 N ATOM 576 CA LYS A 35 10.741 -0.946 4.079 1.00 2.05 C ATOM 577 C LYS A 35 9.793 -2.083 3.695 1.00 70.41 C ATOM 578 O LYS A 35 8.843 -1.876 2.942 1.00 71.54 O ATOM 579 CB LYS A 35 10.162 0.011 5.124 1.00 62.24 C ATOM 580 CG LYS A 35 10.030 -0.677 6.484 1.00 3.11 C ATOM 581 CD LYS A 35 8.740 -1.496 6.562 1.00 43.14 C ATOM 582 CE LYS A 35 7.715 -0.819 7.474 1.00 62.32 C ATOM 583 NZ LYS A 35 6.339 -1.109 7.012 1.00 43.44 N ATOM 0 H LYS A 35 10.918 0.779 2.903 1.00 43.22 H new ATOM 0 HA LYS A 35 11.613 -1.402 4.547 1.00 2.05 H new ATOM 0 HB2 LYS A 35 10.805 0.886 5.216 1.00 62.24 H new ATOM 0 HB3 LYS A 35 9.185 0.366 4.796 1.00 62.24 H new ATOM 0 HG2 LYS A 35 10.888 -1.328 6.651 1.00 3.11 H new ATOM 0 HG3 LYS A 35 10.038 0.071 7.276 1.00 3.11 H new ATOM 0 HD2 LYS A 35 8.320 -1.616 5.563 1.00 43.14 H new ATOM 0 HD3 LYS A 35 8.962 -2.495 6.937 1.00 43.14 H new ATOM 0 HE2 LYS A 35 7.843 -1.170 8.498 1.00 62.32 H new ATOM 0 HE3 LYS A 35 7.883 0.258 7.483 1.00 62.32 H new ATOM 0 HZ1 LYS A 35 5.664 -0.524 7.544 1.00 43.44 H new ATOM 0 HZ2 LYS A 35 6.261 -0.893 5.998 1.00 43.44 H new ATOM 0 HZ3 LYS A 35 6.125 -2.114 7.169 1.00 43.44 H new ATOM 596 N ALA A 36 10.084 -3.260 4.230 1.00 61.12 N ATOM 597 CA ALA A 36 9.269 -4.431 3.952 1.00 43.30 C ATOM 598 C ALA A 36 8.003 -4.380 4.809 1.00 54.13 C ATOM 599 O ALA A 36 8.065 -4.545 6.026 1.00 62.51 O ATOM 600 CB ALA A 36 10.092 -5.696 4.202 1.00 72.43 C ATOM 0 H ALA A 36 10.873 -3.428 4.855 1.00 61.12 H new ATOM 0 HA ALA A 36 8.959 -4.445 2.907 1.00 43.30 H new ATOM 0 HB1 ALA A 36 9.481 -6.574 3.994 1.00 72.43 H new ATOM 0 HB2 ALA A 36 10.965 -5.697 3.549 1.00 72.43 H new ATOM 0 HB3 ALA A 36 10.417 -5.719 5.242 1.00 72.43 H new ATOM 606 N GLU A 37 6.883 -4.150 4.139 1.00 34.31 N ATOM 607 CA GLU A 37 5.603 -4.076 4.824 1.00 42.31 C ATOM 608 C GLU A 37 5.496 -5.186 5.871 1.00 71.32 C ATOM 609 O GLU A 37 5.118 -4.933 7.014 1.00 43.44 O ATOM 610 CB GLU A 37 4.444 -4.147 3.828 1.00 14.34 C ATOM 611 CG GLU A 37 4.248 -5.575 3.315 1.00 1.22 C ATOM 612 CD GLU A 37 3.189 -5.621 2.212 1.00 11.21 C ATOM 613 OE1 GLU A 37 2.390 -6.567 2.159 1.00 32.40 O ATOM 614 OE2 GLU A 37 3.213 -4.626 1.391 1.00 64.32 O ATOM 0 H GLU A 37 6.835 -4.012 3.129 1.00 34.31 H new ATOM 0 HA GLU A 37 5.541 -3.115 5.335 1.00 42.31 H new ATOM 0 HB2 GLU A 37 3.528 -3.799 4.305 1.00 14.34 H new ATOM 0 HB3 GLU A 37 4.639 -3.479 2.989 1.00 14.34 H new ATOM 0 HG2 GLU A 37 5.193 -5.961 2.933 1.00 1.22 H new ATOM 0 HG3 GLU A 37 3.949 -6.223 4.139 1.00 1.22 H new ATOM 622 N LYS A 38 5.835 -6.394 5.443 1.00 12.31 N ATOM 623 CA LYS A 38 5.781 -7.544 6.329 1.00 3.13 C ATOM 624 C LYS A 38 6.387 -7.168 7.683 1.00 13.21 C ATOM 625 O LYS A 38 5.806 -7.456 8.728 1.00 13.44 O ATOM 626 CB LYS A 38 6.446 -8.756 5.674 1.00 34.51 C ATOM 627 CG LYS A 38 6.015 -8.895 4.212 1.00 14.45 C ATOM 628 CD LYS A 38 7.132 -8.448 3.267 1.00 74.20 C ATOM 629 CE LYS A 38 7.203 -9.354 2.036 1.00 20.53 C ATOM 630 NZ LYS A 38 8.612 -9.611 1.663 1.00 70.31 N ATOM 0 H LYS A 38 6.148 -6.601 4.494 1.00 12.31 H new ATOM 0 HA LYS A 38 4.747 -7.836 6.512 1.00 3.13 H new ATOM 0 HB2 LYS A 38 7.530 -8.655 5.729 1.00 34.51 H new ATOM 0 HB3 LYS A 38 6.182 -9.660 6.222 1.00 34.51 H new ATOM 0 HG2 LYS A 38 5.751 -9.932 4.004 1.00 14.45 H new ATOM 0 HG3 LYS A 38 5.122 -8.296 4.034 1.00 14.45 H new ATOM 0 HD2 LYS A 38 6.959 -7.418 2.955 1.00 74.20 H new ATOM 0 HD3 LYS A 38 8.087 -8.466 3.792 1.00 74.20 H new ATOM 0 HE2 LYS A 38 6.697 -10.297 2.242 1.00 20.53 H new ATOM 0 HE3 LYS A 38 6.679 -8.887 1.202 1.00 20.53 H new ATOM 0 HZ1 LYS A 38 8.643 -10.227 0.826 1.00 70.31 H new ATOM 0 HZ2 LYS A 38 9.084 -8.710 1.447 1.00 70.31 H new ATOM 0 HZ3 LYS A 38 9.101 -10.077 2.454 1.00 70.31 H new ATOM 643 N SER A 39 7.546 -6.530 7.620 1.00 24.32 N ATOM 644 CA SER A 39 8.237 -6.112 8.828 1.00 11.22 C ATOM 645 C SER A 39 7.269 -5.373 9.755 1.00 21.40 C ATOM 646 O SER A 39 6.150 -5.051 9.360 1.00 53.00 O ATOM 647 CB SER A 39 9.437 -5.223 8.497 1.00 50.43 C ATOM 648 OG SER A 39 9.947 -5.480 7.191 1.00 4.32 O ATOM 0 H SER A 39 8.024 -6.292 6.751 1.00 24.32 H new ATOM 0 HA SER A 39 8.608 -7.003 9.335 1.00 11.22 H new ATOM 0 HB2 SER A 39 9.144 -4.176 8.572 1.00 50.43 H new ATOM 0 HB3 SER A 39 10.224 -5.388 9.233 1.00 50.43 H new ATOM 0 HG SER A 39 9.639 -4.782 6.576 1.00 4.32 H new ATOM 654 N ASP A 40 7.736 -5.127 10.970 1.00 12.03 N ATOM 655 CA ASP A 40 6.926 -4.433 11.957 1.00 54.44 C ATOM 656 C ASP A 40 7.653 -3.164 12.406 1.00 2.10 C ATOM 657 O ASP A 40 7.299 -2.568 13.422 1.00 53.53 O ATOM 658 CB ASP A 40 6.692 -5.306 13.191 1.00 52.12 C ATOM 659 CG ASP A 40 5.574 -6.341 13.048 1.00 22.02 C ATOM 660 OD1 ASP A 40 4.535 -6.077 12.425 1.00 63.53 O ATOM 661 OD2 ASP A 40 5.806 -7.475 13.618 1.00 74.11 O ATOM 0 H ASP A 40 8.665 -5.396 11.294 1.00 12.03 H new ATOM 0 HA ASP A 40 5.967 -4.194 11.498 1.00 54.44 H new ATOM 0 HB2 ASP A 40 7.619 -5.826 13.431 1.00 52.12 H new ATOM 0 HB3 ASP A 40 6.461 -4.659 14.037 1.00 52.12 H new ATOM 667 N ILE A 41 8.657 -2.789 11.627 1.00 4.25 N ATOM 668 CA ILE A 41 9.438 -1.602 11.933 1.00 40.23 C ATOM 669 C ILE A 41 8.600 -0.356 11.638 1.00 30.04 C ATOM 670 O ILE A 41 7.622 -0.423 10.895 1.00 1.43 O ATOM 671 CB ILE A 41 10.775 -1.634 11.189 1.00 54.32 C ATOM 672 CG1 ILE A 41 10.637 -1.034 9.788 1.00 0.40 C ATOM 673 CG2 ILE A 41 11.347 -3.052 11.151 1.00 4.11 C ATOM 674 CD1 ILE A 41 11.808 -1.450 8.896 1.00 70.13 C ATOM 0 H ILE A 41 8.948 -3.286 10.785 1.00 4.25 H new ATOM 0 HA ILE A 41 9.690 -1.574 12.993 1.00 40.23 H new ATOM 0 HB ILE A 41 11.486 -1.015 11.736 1.00 54.32 H new ATOM 0 HG12 ILE A 41 9.699 -1.361 9.339 1.00 0.40 H new ATOM 0 HG13 ILE A 41 10.596 0.053 9.856 1.00 0.40 H new ATOM 0 HG21 ILE A 41 12.297 -3.047 10.617 1.00 4.11 H new ATOM 0 HG22 ILE A 41 11.505 -3.408 12.169 1.00 4.11 H new ATOM 0 HG23 ILE A 41 10.647 -3.713 10.640 1.00 4.11 H new ATOM 0 HD11 ILE A 41 11.686 -1.010 7.906 1.00 70.13 H new ATOM 0 HD12 ILE A 41 12.742 -1.100 9.335 1.00 70.13 H new ATOM 0 HD13 ILE A 41 11.832 -2.536 8.810 1.00 70.13 H new ATOM 686 N PRO A 42 9.025 0.781 12.252 1.00 32.35 N ATOM 687 CA PRO A 42 8.325 2.040 12.064 1.00 74.31 C ATOM 688 C PRO A 42 8.623 2.632 10.685 1.00 72.10 C ATOM 689 O PRO A 42 9.784 2.795 10.313 1.00 30.23 O ATOM 690 CB PRO A 42 8.795 2.926 13.205 1.00 12.25 C ATOM 691 CG PRO A 42 10.082 2.299 13.717 1.00 14.42 C ATOM 692 CD PRO A 42 10.179 0.897 13.139 1.00 32.03 C ATOM 0 HA PRO A 42 7.241 1.926 12.087 1.00 74.31 H new ATOM 0 HB2 PRO A 42 8.967 3.946 12.862 1.00 12.25 H new ATOM 0 HB3 PRO A 42 8.045 2.977 13.994 1.00 12.25 H new ATOM 0 HG2 PRO A 42 10.943 2.896 13.417 1.00 14.42 H new ATOM 0 HG3 PRO A 42 10.082 2.264 14.806 1.00 14.42 H new ATOM 0 HD2 PRO A 42 11.113 0.757 12.594 1.00 32.03 H new ATOM 0 HD3 PRO A 42 10.152 0.142 13.925 1.00 32.03 H new ATOM 700 N GLU A 43 7.554 2.938 9.964 1.00 22.11 N ATOM 701 CA GLU A 43 7.687 3.509 8.634 1.00 32.34 C ATOM 702 C GLU A 43 8.538 4.779 8.684 1.00 24.15 C ATOM 703 O GLU A 43 8.671 5.400 9.738 1.00 50.44 O ATOM 704 CB GLU A 43 6.315 3.793 8.020 1.00 34.52 C ATOM 705 CG GLU A 43 6.373 3.726 6.493 1.00 61.43 C ATOM 706 CD GLU A 43 5.003 4.020 5.878 1.00 2.22 C ATOM 707 OE1 GLU A 43 4.124 3.146 5.877 1.00 54.24 O ATOM 708 OE2 GLU A 43 4.868 5.207 5.391 1.00 61.01 O ATOM 0 H GLU A 43 6.592 2.801 10.275 1.00 22.11 H new ATOM 0 HA GLU A 43 8.191 2.782 7.997 1.00 32.34 H new ATOM 0 HB2 GLU A 43 5.589 3.070 8.392 1.00 34.52 H new ATOM 0 HB3 GLU A 43 5.970 4.779 8.331 1.00 34.52 H new ATOM 0 HG2 GLU A 43 7.104 4.444 6.122 1.00 61.43 H new ATOM 0 HG3 GLU A 43 6.711 2.738 6.181 1.00 61.43 H new ATOM 716 N ILE A 44 9.093 5.127 7.533 1.00 64.32 N ATOM 717 CA ILE A 44 9.928 6.312 7.432 1.00 25.42 C ATOM 718 C ILE A 44 9.213 7.364 6.582 1.00 21.33 C ATOM 719 O ILE A 44 8.061 7.175 6.195 1.00 40.22 O ATOM 720 CB ILE A 44 11.320 5.944 6.913 1.00 71.20 C ATOM 721 CG1 ILE A 44 11.233 5.274 5.540 1.00 45.21 C ATOM 722 CG2 ILE A 44 12.072 5.079 7.926 1.00 22.22 C ATOM 723 CD1 ILE A 44 12.626 5.077 4.938 1.00 70.15 C ATOM 0 H ILE A 44 8.981 4.609 6.662 1.00 64.32 H new ATOM 0 HA ILE A 44 10.086 6.752 8.417 1.00 25.42 H new ATOM 0 HB ILE A 44 11.892 6.863 6.788 1.00 71.20 H new ATOM 0 HG12 ILE A 44 10.733 4.310 5.633 1.00 45.21 H new ATOM 0 HG13 ILE A 44 10.627 5.885 4.871 1.00 45.21 H new ATOM 0 HG21 ILE A 44 13.058 4.832 7.532 1.00 22.22 H new ATOM 0 HG22 ILE A 44 12.182 5.627 8.862 1.00 22.22 H new ATOM 0 HG23 ILE A 44 11.513 4.161 8.107 1.00 22.22 H new ATOM 0 HD11 ILE A 44 12.537 4.599 3.962 1.00 70.15 H new ATOM 0 HD12 ILE A 44 13.114 6.045 4.824 1.00 70.15 H new ATOM 0 HD13 ILE A 44 13.222 4.446 5.598 1.00 70.15 H new ATOM 735 N ASP A 45 9.926 8.449 6.317 1.00 30.44 N ATOM 736 CA ASP A 45 9.374 9.531 5.521 1.00 73.25 C ATOM 737 C ASP A 45 9.521 9.192 4.036 1.00 71.31 C ATOM 738 O ASP A 45 8.545 9.227 3.288 1.00 42.23 O ATOM 739 CB ASP A 45 10.117 10.842 5.782 1.00 42.11 C ATOM 740 CG ASP A 45 9.564 12.059 5.037 1.00 64.45 C ATOM 741 OD1 ASP A 45 8.404 12.067 4.600 1.00 72.00 O ATOM 742 OD2 ASP A 45 10.390 13.041 4.909 1.00 42.41 O ATOM 0 H ASP A 45 10.881 8.602 6.640 1.00 30.44 H new ATOM 0 HA ASP A 45 8.326 9.650 5.795 1.00 73.25 H new ATOM 0 HB2 ASP A 45 10.093 11.048 6.852 1.00 42.11 H new ATOM 0 HB3 ASP A 45 11.163 10.710 5.506 1.00 42.11 H new ATOM 748 N LYS A 46 10.748 8.871 3.654 1.00 62.41 N ATOM 749 CA LYS A 46 11.036 8.525 2.272 1.00 13.40 C ATOM 750 C LYS A 46 12.227 7.567 2.228 1.00 62.53 C ATOM 751 O LYS A 46 12.858 7.307 3.251 1.00 2.32 O ATOM 752 CB LYS A 46 11.233 9.790 1.434 1.00 54.03 C ATOM 753 CG LYS A 46 12.676 10.289 1.524 1.00 23.40 C ATOM 754 CD LYS A 46 12.993 10.798 2.932 1.00 65.44 C ATOM 755 CE LYS A 46 14.115 11.838 2.899 1.00 54.25 C ATOM 756 NZ LYS A 46 13.568 13.180 2.597 1.00 74.12 N ATOM 0 H LYS A 46 11.555 8.843 4.277 1.00 62.41 H new ATOM 0 HA LYS A 46 10.190 8.002 1.826 1.00 13.40 H new ATOM 0 HB2 LYS A 46 10.980 9.584 0.394 1.00 54.03 H new ATOM 0 HB3 LYS A 46 10.553 10.569 1.780 1.00 54.03 H new ATOM 0 HG2 LYS A 46 13.361 9.482 1.262 1.00 23.40 H new ATOM 0 HG3 LYS A 46 12.834 11.089 0.800 1.00 23.40 H new ATOM 0 HD2 LYS A 46 12.098 11.237 3.374 1.00 65.44 H new ATOM 0 HD3 LYS A 46 13.286 9.962 3.568 1.00 65.44 H new ATOM 0 HE2 LYS A 46 14.630 11.856 3.859 1.00 54.25 H new ATOM 0 HE3 LYS A 46 14.853 11.562 2.146 1.00 54.25 H new ATOM 0 HZ1 LYS A 46 14.342 13.874 2.578 1.00 74.12 H new ATOM 0 HZ2 LYS A 46 13.096 13.162 1.670 1.00 74.12 H new ATOM 0 HZ3 LYS A 46 12.881 13.448 3.330 1.00 74.12 H new ATOM 769 N ARG A 47 12.499 7.066 1.031 1.00 10.15 N ATOM 770 CA ARG A 47 13.604 6.142 0.840 1.00 35.43 C ATOM 771 C ARG A 47 14.639 6.741 -0.114 1.00 13.25 C ATOM 772 O ARG A 47 14.448 6.730 -1.329 1.00 11.33 O ATOM 773 CB ARG A 47 13.113 4.807 0.276 1.00 21.30 C ATOM 774 CG ARG A 47 11.832 4.994 -0.540 1.00 65.11 C ATOM 775 CD ARG A 47 11.252 3.644 -0.967 1.00 1.01 C ATOM 776 NE ARG A 47 11.816 3.241 -2.274 1.00 43.25 N ATOM 777 CZ ARG A 47 11.245 2.338 -3.100 1.00 12.44 C ATOM 778 NH1 ARG A 47 10.086 1.736 -2.759 1.00 30.35 N ATOM 779 NH2 ARG A 47 11.836 2.054 -4.245 1.00 23.42 N ATOM 0 H ARG A 47 11.973 7.283 0.184 1.00 10.15 H new ATOM 0 HA ARG A 47 14.062 5.967 1.814 1.00 35.43 H new ATOM 0 HB2 ARG A 47 13.887 4.367 -0.352 1.00 21.30 H new ATOM 0 HB3 ARG A 47 12.930 4.109 1.093 1.00 21.30 H new ATOM 0 HG2 ARG A 47 11.096 5.539 0.051 1.00 65.11 H new ATOM 0 HG3 ARG A 47 12.043 5.598 -1.422 1.00 65.11 H new ATOM 0 HD2 ARG A 47 11.478 2.888 -0.215 1.00 1.01 H new ATOM 0 HD3 ARG A 47 10.166 3.711 -1.035 1.00 1.01 H new ATOM 0 HE ARG A 47 12.692 3.673 -2.570 1.00 43.25 H new ATOM 0 HH11 ARG A 47 9.635 1.962 -1.872 1.00 30.35 H new ATOM 0 HH12 ARG A 47 9.661 1.055 -3.388 1.00 30.35 H new ATOM 0 HH21 ARG A 47 12.711 2.514 -4.495 1.00 23.42 H new ATOM 0 HH22 ARG A 47 11.418 1.374 -4.880 1.00 23.42 H new ATOM 792 N LYS A 48 15.712 7.250 0.473 1.00 1.11 N ATOM 793 CA LYS A 48 16.778 7.853 -0.310 1.00 14.15 C ATOM 794 C LYS A 48 18.069 7.853 0.510 1.00 25.22 C ATOM 795 O LYS A 48 18.090 8.330 1.644 1.00 53.24 O ATOM 796 CB LYS A 48 16.362 9.241 -0.801 1.00 73.24 C ATOM 797 CG LYS A 48 17.580 10.052 -1.248 1.00 13.22 C ATOM 798 CD LYS A 48 18.129 10.895 -0.095 1.00 41.33 C ATOM 799 CE LYS A 48 17.504 12.292 -0.091 1.00 64.13 C ATOM 800 NZ LYS A 48 18.457 13.284 0.454 1.00 1.35 N ATOM 0 H LYS A 48 15.866 7.257 1.481 1.00 1.11 H new ATOM 0 HA LYS A 48 16.970 7.266 -1.208 1.00 14.15 H new ATOM 0 HB2 LYS A 48 15.662 9.143 -1.631 1.00 73.24 H new ATOM 0 HB3 LYS A 48 15.840 9.771 -0.004 1.00 73.24 H new ATOM 0 HG2 LYS A 48 18.356 9.379 -1.613 1.00 13.22 H new ATOM 0 HG3 LYS A 48 17.304 10.701 -2.079 1.00 13.22 H new ATOM 0 HD2 LYS A 48 17.924 10.398 0.853 1.00 41.33 H new ATOM 0 HD3 LYS A 48 19.212 10.978 -0.184 1.00 41.33 H new ATOM 0 HE2 LYS A 48 17.218 12.572 -1.105 1.00 64.13 H new ATOM 0 HE3 LYS A 48 16.593 12.288 0.507 1.00 64.13 H new ATOM 0 HZ1 LYS A 48 18.017 14.226 0.450 1.00 1.35 H new ATOM 0 HZ2 LYS A 48 18.709 13.024 1.429 1.00 1.35 H new ATOM 0 HZ3 LYS A 48 19.315 13.300 -0.133 1.00 1.35 H new ATOM 813 N TYR A 49 19.117 7.312 -0.095 1.00 35.41 N ATOM 814 CA TYR A 49 20.409 7.243 0.565 1.00 63.12 C ATOM 815 C TYR A 49 21.548 7.421 -0.441 1.00 64.11 C ATOM 816 O TYR A 49 21.931 6.473 -1.126 1.00 15.13 O ATOM 817 CB TYR A 49 20.498 5.843 1.175 1.00 74.53 C ATOM 818 CG TYR A 49 19.455 5.570 2.261 1.00 42.01 C ATOM 819 CD1 TYR A 49 19.545 6.211 3.480 1.00 24.52 C ATOM 820 CD2 TYR A 49 18.425 4.684 2.022 1.00 73.24 C ATOM 821 CE1 TYR A 49 18.564 5.954 4.503 1.00 43.15 C ATOM 822 CE2 TYR A 49 17.444 4.427 3.044 1.00 55.41 C ATOM 823 CZ TYR A 49 17.562 5.075 4.234 1.00 53.21 C ATOM 824 OH TYR A 49 16.635 4.833 5.199 1.00 21.05 O ATOM 0 H TYR A 49 19.097 6.917 -1.035 1.00 35.41 H new ATOM 0 HA TYR A 49 20.500 8.031 1.313 1.00 63.12 H new ATOM 0 HB2 TYR A 49 20.384 5.104 0.382 1.00 74.53 H new ATOM 0 HB3 TYR A 49 21.493 5.705 1.598 1.00 74.53 H new ATOM 0 HD1 TYR A 49 20.351 6.905 3.667 1.00 24.52 H new ATOM 0 HD2 TYR A 49 18.354 4.183 1.068 1.00 73.24 H new ATOM 0 HE1 TYR A 49 18.623 6.448 5.462 1.00 43.15 H new ATOM 0 HE2 TYR A 49 16.633 3.735 2.870 1.00 55.41 H new ATOM 0 HH TYR A 49 15.979 4.185 4.867 1.00 21.05 H new ATOM 834 N LEU A 50 22.059 8.642 -0.499 1.00 10.15 N ATOM 835 CA LEU A 50 23.147 8.957 -1.409 1.00 73.53 C ATOM 836 C LEU A 50 24.482 8.672 -0.719 1.00 62.02 C ATOM 837 O LEU A 50 24.984 9.503 0.036 1.00 21.13 O ATOM 838 CB LEU A 50 23.015 10.390 -1.927 1.00 11.45 C ATOM 839 CG LEU A 50 22.203 10.568 -3.212 1.00 25.15 C ATOM 840 CD1 LEU A 50 21.912 12.046 -3.476 1.00 11.31 C ATOM 841 CD2 LEU A 50 22.902 9.900 -4.398 1.00 1.42 C ATOM 0 H LEU A 50 21.739 9.426 0.070 1.00 10.15 H new ATOM 0 HA LEU A 50 23.102 8.319 -2.292 1.00 73.53 H new ATOM 0 HB2 LEU A 50 22.558 10.997 -1.145 1.00 11.45 H new ATOM 0 HB3 LEU A 50 24.016 10.788 -2.095 1.00 11.45 H new ATOM 0 HG LEU A 50 21.242 10.070 -3.082 1.00 25.15 H new ATOM 0 HD11 LEU A 50 21.334 12.145 -4.395 1.00 11.31 H new ATOM 0 HD12 LEU A 50 21.343 12.459 -2.643 1.00 11.31 H new ATOM 0 HD13 LEU A 50 22.851 12.589 -3.578 1.00 11.31 H new ATOM 0 HD21 LEU A 50 22.305 10.041 -5.299 1.00 1.42 H new ATOM 0 HD22 LEU A 50 23.885 10.349 -4.541 1.00 1.42 H new ATOM 0 HD23 LEU A 50 23.015 8.834 -4.201 1.00 1.42 H new ATOM 853 N VAL A 51 25.020 7.495 -1.004 1.00 32.14 N ATOM 854 CA VAL A 51 26.287 7.090 -0.420 1.00 5.53 C ATOM 855 C VAL A 51 27.366 7.089 -1.505 1.00 22.33 C ATOM 856 O VAL A 51 27.073 6.857 -2.677 1.00 12.35 O ATOM 857 CB VAL A 51 26.135 5.735 0.274 1.00 3.43 C ATOM 858 CG1 VAL A 51 25.866 5.913 1.770 1.00 71.41 C ATOM 859 CG2 VAL A 51 25.035 4.902 -0.386 1.00 65.41 C ATOM 0 H VAL A 51 24.601 6.809 -1.632 1.00 32.14 H new ATOM 0 HA VAL A 51 26.598 7.799 0.347 1.00 5.53 H new ATOM 0 HB VAL A 51 27.075 5.195 0.165 1.00 3.43 H new ATOM 0 HG11 VAL A 51 25.762 4.935 2.240 1.00 71.41 H new ATOM 0 HG12 VAL A 51 26.697 6.449 2.228 1.00 71.41 H new ATOM 0 HG13 VAL A 51 24.947 6.482 1.909 1.00 71.41 H new ATOM 0 HG21 VAL A 51 24.947 3.944 0.126 1.00 65.41 H new ATOM 0 HG22 VAL A 51 24.087 5.436 -0.322 1.00 65.41 H new ATOM 0 HG23 VAL A 51 25.286 4.732 -1.433 1.00 65.41 H new ATOM 869 N PRO A 52 28.625 7.356 -1.064 1.00 52.22 N ATOM 870 CA PRO A 52 29.749 7.388 -1.984 1.00 71.43 C ATOM 871 C PRO A 52 30.158 5.973 -2.399 1.00 74.32 C ATOM 872 O PRO A 52 29.634 4.992 -1.873 1.00 4.05 O ATOM 873 CB PRO A 52 30.847 8.129 -1.239 1.00 31.41 C ATOM 874 CG PRO A 52 30.462 8.076 0.231 1.00 54.34 C ATOM 875 CD PRO A 52 29.010 7.635 0.316 1.00 33.13 C ATOM 0 HA PRO A 52 29.512 7.893 -2.921 1.00 71.43 H new ATOM 0 HB2 PRO A 52 31.817 7.661 -1.406 1.00 31.41 H new ATOM 0 HB3 PRO A 52 30.927 9.160 -1.585 1.00 31.41 H new ATOM 0 HG2 PRO A 52 31.105 7.379 0.769 1.00 54.34 H new ATOM 0 HG3 PRO A 52 30.592 9.054 0.695 1.00 54.34 H new ATOM 0 HD2 PRO A 52 28.901 6.751 0.944 1.00 33.13 H new ATOM 0 HD3 PRO A 52 28.385 8.414 0.752 1.00 33.13 H new ATOM 883 N ALA A 53 31.089 5.912 -3.339 1.00 40.05 N ATOM 884 CA ALA A 53 31.574 4.634 -3.831 1.00 21.40 C ATOM 885 C ALA A 53 32.745 4.169 -2.963 1.00 2.44 C ATOM 886 O ALA A 53 33.514 3.297 -3.365 1.00 53.42 O ATOM 887 CB ALA A 53 31.959 4.766 -5.306 1.00 15.11 C ATOM 0 H ALA A 53 31.521 6.728 -3.773 1.00 40.05 H new ATOM 0 HA ALA A 53 30.793 3.877 -3.765 1.00 21.40 H new ATOM 0 HB1 ALA A 53 32.323 3.807 -5.674 1.00 15.11 H new ATOM 0 HB2 ALA A 53 31.086 5.069 -5.884 1.00 15.11 H new ATOM 0 HB3 ALA A 53 32.743 5.516 -5.412 1.00 15.11 H new ATOM 893 N ASP A 54 32.844 4.773 -1.787 1.00 64.23 N ATOM 894 CA ASP A 54 33.909 4.432 -0.859 1.00 12.23 C ATOM 895 C ASP A 54 33.298 4.030 0.485 1.00 30.02 C ATOM 896 O ASP A 54 34.020 3.733 1.436 1.00 44.44 O ATOM 897 CB ASP A 54 34.834 5.627 -0.619 1.00 12.01 C ATOM 898 CG ASP A 54 36.036 5.343 0.284 1.00 43.05 C ATOM 899 OD1 ASP A 54 36.057 5.732 1.461 1.00 45.24 O ATOM 900 OD2 ASP A 54 36.994 4.683 -0.275 1.00 54.35 O ATOM 0 H ASP A 54 32.205 5.496 -1.456 1.00 64.23 H new ATOM 0 HA ASP A 54 34.483 3.612 -1.291 1.00 12.23 H new ATOM 0 HB2 ASP A 54 35.199 5.984 -1.582 1.00 12.01 H new ATOM 0 HB3 ASP A 54 34.251 6.436 -0.179 1.00 12.01 H new ATOM 906 N LEU A 55 31.974 4.033 0.522 1.00 74.15 N ATOM 907 CA LEU A 55 31.257 3.672 1.733 1.00 24.02 C ATOM 908 C LEU A 55 30.994 2.165 1.735 1.00 22.21 C ATOM 909 O LEU A 55 30.966 1.535 0.679 1.00 24.52 O ATOM 910 CB LEU A 55 29.991 4.518 1.879 1.00 74.42 C ATOM 911 CG LEU A 55 29.072 4.154 3.047 1.00 0.01 C ATOM 912 CD1 LEU A 55 28.398 5.401 3.623 1.00 74.32 C ATOM 913 CD2 LEU A 55 28.053 3.091 2.633 1.00 70.40 C ATOM 0 H LEU A 55 31.378 4.280 -0.268 1.00 74.15 H new ATOM 0 HA LEU A 55 31.862 3.891 2.613 1.00 24.02 H new ATOM 0 HB2 LEU A 55 30.286 5.562 1.986 1.00 74.42 H new ATOM 0 HB3 LEU A 55 29.418 4.442 0.955 1.00 74.42 H new ATOM 0 HG LEU A 55 29.682 3.722 3.840 1.00 0.01 H new ATOM 0 HD11 LEU A 55 27.750 5.115 4.452 1.00 74.32 H new ATOM 0 HD12 LEU A 55 29.160 6.094 3.980 1.00 74.32 H new ATOM 0 HD13 LEU A 55 27.803 5.884 2.848 1.00 74.32 H new ATOM 0 HD21 LEU A 55 27.413 2.851 3.482 1.00 70.40 H new ATOM 0 HD22 LEU A 55 27.443 3.472 1.814 1.00 70.40 H new ATOM 0 HD23 LEU A 55 28.577 2.192 2.308 1.00 70.40 H new ATOM 925 N THR A 56 30.808 1.631 2.933 1.00 33.51 N ATOM 926 CA THR A 56 30.548 0.209 3.086 1.00 13.24 C ATOM 927 C THR A 56 29.088 -0.027 3.479 1.00 52.35 C ATOM 928 O THR A 56 28.422 0.878 3.978 1.00 15.53 O ATOM 929 CB THR A 56 31.547 -0.347 4.102 1.00 23.43 C ATOM 930 OG1 THR A 56 31.033 0.075 5.362 1.00 20.34 O ATOM 931 CG2 THR A 56 32.915 0.333 4.011 1.00 32.33 C ATOM 0 H THR A 56 30.832 2.157 3.807 1.00 33.51 H new ATOM 0 HA THR A 56 30.689 -0.322 2.145 1.00 13.24 H new ATOM 0 HB THR A 56 31.664 -1.419 3.946 1.00 23.43 H new ATOM 0 HG1 THR A 56 31.620 -0.245 6.079 1.00 20.34 H new ATOM 0 HG21 THR A 56 33.586 -0.099 4.754 1.00 32.33 H new ATOM 0 HG22 THR A 56 33.331 0.182 3.015 1.00 32.33 H new ATOM 0 HG23 THR A 56 32.804 1.401 4.200 1.00 32.33 H new ATOM 939 N VAL A 57 28.633 -1.248 3.237 1.00 45.40 N ATOM 940 CA VAL A 57 27.265 -1.614 3.559 1.00 54.14 C ATOM 941 C VAL A 57 26.989 -1.297 5.030 1.00 54.23 C ATOM 942 O VAL A 57 25.967 -0.696 5.358 1.00 52.33 O ATOM 943 CB VAL A 57 27.020 -3.083 3.208 1.00 52.15 C ATOM 944 CG1 VAL A 57 25.607 -3.514 3.607 1.00 41.25 C ATOM 945 CG2 VAL A 57 27.273 -3.341 1.721 1.00 55.33 C ATOM 0 H VAL A 57 29.188 -1.996 2.822 1.00 45.40 H new ATOM 0 HA VAL A 57 26.563 -1.030 2.964 1.00 54.14 H new ATOM 0 HB VAL A 57 27.727 -3.686 3.778 1.00 52.15 H new ATOM 0 HG11 VAL A 57 25.459 -4.562 3.346 1.00 41.25 H new ATOM 0 HG12 VAL A 57 25.477 -3.385 4.682 1.00 41.25 H new ATOM 0 HG13 VAL A 57 24.877 -2.902 3.078 1.00 41.25 H new ATOM 0 HG21 VAL A 57 27.092 -4.392 1.498 1.00 55.33 H new ATOM 0 HG22 VAL A 57 26.602 -2.723 1.125 1.00 55.33 H new ATOM 0 HG23 VAL A 57 28.306 -3.092 1.479 1.00 55.33 H new ATOM 955 N GLY A 58 27.918 -1.715 5.877 1.00 73.35 N ATOM 956 CA GLY A 58 27.787 -1.483 7.305 1.00 23.40 C ATOM 957 C GLY A 58 27.203 -0.097 7.584 1.00 21.15 C ATOM 958 O GLY A 58 26.182 0.026 8.258 1.00 35.55 O ATOM 0 H GLY A 58 28.764 -2.213 5.602 1.00 73.35 H new ATOM 0 HA2 GLY A 58 27.145 -2.247 7.744 1.00 23.40 H new ATOM 0 HA3 GLY A 58 28.763 -1.573 7.783 1.00 23.40 H new ATOM 962 N GLN A 59 27.877 0.912 7.052 1.00 33.02 N ATOM 963 CA GLN A 59 27.437 2.285 7.236 1.00 62.22 C ATOM 964 C GLN A 59 25.948 2.413 6.911 1.00 15.14 C ATOM 965 O GLN A 59 25.211 3.098 7.620 1.00 41.14 O ATOM 966 CB GLN A 59 28.269 3.245 6.383 1.00 13.34 C ATOM 967 CG GLN A 59 29.709 3.324 6.893 1.00 1.23 C ATOM 968 CD GLN A 59 30.467 4.471 6.221 1.00 72.34 C ATOM 969 OE1 GLN A 59 30.147 5.637 6.378 1.00 11.54 O ATOM 970 NE2 GLN A 59 31.486 4.075 5.464 1.00 63.13 N ATOM 0 H GLN A 59 28.724 0.807 6.494 1.00 33.02 H new ATOM 0 HA GLN A 59 27.585 2.557 8.281 1.00 62.22 H new ATOM 0 HB2 GLN A 59 28.265 2.912 5.345 1.00 13.34 H new ATOM 0 HB3 GLN A 59 27.818 4.237 6.401 1.00 13.34 H new ATOM 0 HG2 GLN A 59 29.708 3.468 7.974 1.00 1.23 H new ATOM 0 HG3 GLN A 59 30.220 2.381 6.697 1.00 1.23 H new ATOM 0 HE21 GLN A 59 31.700 3.082 5.376 1.00 63.13 H new ATOM 0 HE22 GLN A 59 32.054 4.765 4.972 1.00 63.13 H new ATOM 979 N PHE A 60 25.548 1.743 5.840 1.00 10.43 N ATOM 980 CA PHE A 60 24.159 1.774 5.413 1.00 24.04 C ATOM 981 C PHE A 60 23.229 1.317 6.539 1.00 24.30 C ATOM 982 O PHE A 60 22.366 2.073 6.981 1.00 32.33 O ATOM 983 CB PHE A 60 24.032 0.804 4.237 1.00 53.31 C ATOM 984 CG PHE A 60 22.832 1.082 3.329 1.00 50.11 C ATOM 985 CD1 PHE A 60 22.522 2.361 2.984 1.00 72.50 C ATOM 986 CD2 PHE A 60 22.076 0.051 2.867 1.00 73.53 C ATOM 987 CE1 PHE A 60 21.408 2.618 2.141 1.00 4.32 C ATOM 988 CE2 PHE A 60 20.962 0.308 2.024 1.00 3.30 C ATOM 989 CZ PHE A 60 20.652 1.587 1.679 1.00 21.20 C ATOM 0 H PHE A 60 26.161 1.175 5.255 1.00 10.43 H new ATOM 0 HA PHE A 60 23.877 2.790 5.135 1.00 24.04 H new ATOM 0 HB2 PHE A 60 24.944 0.850 3.641 1.00 53.31 H new ATOM 0 HB3 PHE A 60 23.954 -0.212 4.624 1.00 53.31 H new ATOM 0 HD1 PHE A 60 23.122 3.180 3.351 1.00 72.50 H new ATOM 0 HD2 PHE A 60 22.323 -0.964 3.141 1.00 73.53 H new ATOM 0 HE1 PHE A 60 21.161 3.633 1.867 1.00 4.32 H new ATOM 0 HE2 PHE A 60 20.362 -0.511 1.657 1.00 3.30 H new ATOM 0 HZ PHE A 60 19.805 1.783 1.038 1.00 21.20 H new ATOM 999 N VAL A 61 23.438 0.081 6.970 1.00 13.43 N ATOM 1000 CA VAL A 61 22.629 -0.486 8.036 1.00 52.31 C ATOM 1001 C VAL A 61 22.392 0.577 9.111 1.00 21.21 C ATOM 1002 O VAL A 61 21.366 0.561 9.789 1.00 52.21 O ATOM 1003 CB VAL A 61 23.294 -1.751 8.582 1.00 45.43 C ATOM 1004 CG1 VAL A 61 22.642 -2.191 9.894 1.00 44.31 C ATOM 1005 CG2 VAL A 61 23.261 -2.878 7.548 1.00 52.44 C ATOM 0 H VAL A 61 24.155 -0.543 6.601 1.00 13.43 H new ATOM 0 HA VAL A 61 21.653 -0.787 7.656 1.00 52.31 H new ATOM 0 HB VAL A 61 24.338 -1.517 8.789 1.00 45.43 H new ATOM 0 HG11 VAL A 61 23.134 -3.092 10.260 1.00 44.31 H new ATOM 0 HG12 VAL A 61 22.742 -1.397 10.634 1.00 44.31 H new ATOM 0 HG13 VAL A 61 21.585 -2.398 9.724 1.00 44.31 H new ATOM 0 HG21 VAL A 61 23.740 -3.765 7.962 1.00 52.44 H new ATOM 0 HG22 VAL A 61 22.226 -3.109 7.295 1.00 52.44 H new ATOM 0 HG23 VAL A 61 23.793 -2.564 6.650 1.00 52.44 H new ATOM 1015 N TYR A 62 23.359 1.474 9.234 1.00 52.53 N ATOM 1016 CA TYR A 62 23.268 2.542 10.215 1.00 45.31 C ATOM 1017 C TYR A 62 22.500 3.740 9.653 1.00 43.24 C ATOM 1018 O TYR A 62 21.661 4.321 10.338 1.00 15.04 O ATOM 1019 CB TYR A 62 24.708 2.968 10.509 1.00 24.41 C ATOM 1020 CG TYR A 62 24.896 3.622 11.879 1.00 3.11 C ATOM 1021 CD1 TYR A 62 25.193 2.845 12.980 1.00 3.13 C ATOM 1022 CD2 TYR A 62 24.769 4.990 12.014 1.00 70.12 C ATOM 1023 CE1 TYR A 62 25.370 3.461 14.270 1.00 41.23 C ATOM 1024 CE2 TYR A 62 24.946 5.606 13.303 1.00 32.02 C ATOM 1025 CZ TYR A 62 25.238 4.811 14.368 1.00 53.24 C ATOM 1026 OH TYR A 62 25.405 5.393 15.585 1.00 13.14 O ATOM 0 H TYR A 62 24.209 1.483 8.671 1.00 52.53 H new ATOM 0 HA TYR A 62 22.742 2.200 11.106 1.00 45.31 H new ATOM 0 HB2 TYR A 62 25.355 2.093 10.443 1.00 24.41 H new ATOM 0 HB3 TYR A 62 25.035 3.665 9.737 1.00 24.41 H new ATOM 0 HD1 TYR A 62 25.293 1.775 12.874 1.00 3.13 H new ATOM 0 HD2 TYR A 62 24.537 5.598 11.152 1.00 70.12 H new ATOM 0 HE1 TYR A 62 25.602 2.864 15.140 1.00 41.23 H new ATOM 0 HE2 TYR A 62 24.849 6.675 13.422 1.00 32.02 H new ATOM 0 HH TYR A 62 25.283 6.362 15.504 1.00 13.14 H new ATOM 1036 N VAL A 63 22.816 4.074 8.410 1.00 54.12 N ATOM 1037 CA VAL A 63 22.166 5.192 7.748 1.00 55.25 C ATOM 1038 C VAL A 63 20.650 4.986 7.777 1.00 32.22 C ATOM 1039 O VAL A 63 19.893 5.940 7.950 1.00 20.11 O ATOM 1040 CB VAL A 63 22.719 5.355 6.330 1.00 21.24 C ATOM 1041 CG1 VAL A 63 21.777 6.195 5.467 1.00 54.23 C ATOM 1042 CG2 VAL A 63 24.124 5.959 6.357 1.00 43.32 C ATOM 0 H VAL A 63 23.513 3.590 7.844 1.00 54.12 H new ATOM 0 HA VAL A 63 22.378 6.122 8.275 1.00 55.25 H new ATOM 0 HB VAL A 63 22.789 4.364 5.881 1.00 21.24 H new ATOM 0 HG11 VAL A 63 22.194 6.295 4.465 1.00 54.23 H new ATOM 0 HG12 VAL A 63 20.804 5.706 5.408 1.00 54.23 H new ATOM 0 HG13 VAL A 63 21.660 7.183 5.912 1.00 54.23 H new ATOM 0 HG21 VAL A 63 24.494 6.064 5.337 1.00 43.32 H new ATOM 0 HG22 VAL A 63 24.090 6.939 6.834 1.00 43.32 H new ATOM 0 HG23 VAL A 63 24.790 5.305 6.919 1.00 43.32 H new ATOM 1052 N ILE A 64 20.252 3.734 7.606 1.00 32.30 N ATOM 1053 CA ILE A 64 18.840 3.390 7.611 1.00 20.10 C ATOM 1054 C ILE A 64 18.278 3.581 9.021 1.00 21.32 C ATOM 1055 O ILE A 64 17.333 4.342 9.219 1.00 53.52 O ATOM 1056 CB ILE A 64 18.630 1.982 7.050 1.00 35.15 C ATOM 1057 CG1 ILE A 64 18.882 1.949 5.542 1.00 65.12 C ATOM 1058 CG2 ILE A 64 17.241 1.450 7.411 1.00 53.44 C ATOM 1059 CD1 ILE A 64 20.373 1.782 5.239 1.00 30.13 C ATOM 0 H ILE A 64 20.883 2.945 7.463 1.00 32.30 H new ATOM 0 HA ILE A 64 18.283 4.057 6.953 1.00 20.10 H new ATOM 0 HB ILE A 64 19.360 1.318 7.512 1.00 35.15 H new ATOM 0 HG12 ILE A 64 18.322 1.128 5.094 1.00 65.12 H new ATOM 0 HG13 ILE A 64 18.516 2.870 5.088 1.00 65.12 H new ATOM 0 HG21 ILE A 64 17.117 0.448 7.000 1.00 53.44 H new ATOM 0 HG22 ILE A 64 17.136 1.413 8.495 1.00 53.44 H new ATOM 0 HG23 ILE A 64 16.479 2.109 6.995 1.00 53.44 H new ATOM 0 HD11 ILE A 64 20.525 1.762 4.160 1.00 30.13 H new ATOM 0 HD12 ILE A 64 20.927 2.617 5.668 1.00 30.13 H new ATOM 0 HD13 ILE A 64 20.730 0.848 5.673 1.00 30.13 H new ATOM 1071 N ARG A 65 18.884 2.876 9.965 1.00 32.25 N ATOM 1072 CA ARG A 65 18.456 2.958 11.352 1.00 73.04 C ATOM 1073 C ARG A 65 18.085 4.399 11.708 1.00 3.02 C ATOM 1074 O ARG A 65 17.233 4.631 12.564 1.00 74.12 O ATOM 1075 CB ARG A 65 19.556 2.473 12.298 1.00 72.55 C ATOM 1076 CG ARG A 65 18.958 1.858 13.565 1.00 53.04 C ATOM 1077 CD ARG A 65 20.053 1.506 14.573 1.00 1.11 C ATOM 1078 NE ARG A 65 20.864 2.706 14.879 1.00 71.21 N ATOM 1079 CZ ARG A 65 21.967 2.696 15.657 1.00 63.42 C ATOM 1080 NH1 ARG A 65 22.401 1.546 16.215 1.00 23.31 N ATOM 1081 NH2 ARG A 65 22.615 3.827 15.863 1.00 22.13 N ATOM 0 H ARG A 65 19.668 2.245 9.797 1.00 32.25 H new ATOM 0 HA ARG A 65 17.584 2.315 11.468 1.00 73.04 H new ATOM 0 HB2 ARG A 65 20.178 1.736 11.790 1.00 72.55 H new ATOM 0 HB3 ARG A 65 20.204 3.307 12.566 1.00 72.55 H new ATOM 0 HG2 ARG A 65 18.255 2.558 14.016 1.00 53.04 H new ATOM 0 HG3 ARG A 65 18.394 0.961 13.307 1.00 53.04 H new ATOM 0 HD2 ARG A 65 19.605 1.117 15.487 1.00 1.11 H new ATOM 0 HD3 ARG A 65 20.691 0.719 14.170 1.00 1.11 H new ATOM 0 HE ARG A 65 20.571 3.596 14.477 1.00 71.21 H new ATOM 0 HH11 ARG A 65 21.895 0.676 16.050 1.00 23.31 H new ATOM 0 HH12 ARG A 65 23.235 1.547 16.802 1.00 23.31 H new ATOM 0 HH21 ARG A 65 22.281 4.691 15.437 1.00 22.13 H new ATOM 0 HH22 ARG A 65 23.450 3.837 16.448 1.00 22.13 H new ATOM 1094 N LYS A 66 18.745 5.330 11.034 1.00 34.21 N ATOM 1095 CA LYS A 66 18.495 6.742 11.269 1.00 23.11 C ATOM 1096 C LYS A 66 17.148 7.126 10.655 1.00 14.53 C ATOM 1097 O LYS A 66 16.291 7.692 11.333 1.00 4.24 O ATOM 1098 CB LYS A 66 19.666 7.585 10.760 1.00 61.25 C ATOM 1099 CG LYS A 66 20.607 7.965 11.905 1.00 51.55 C ATOM 1100 CD LYS A 66 21.286 6.726 12.491 1.00 2.30 C ATOM 1101 CE LYS A 66 21.398 6.831 14.013 1.00 13.13 C ATOM 1102 NZ LYS A 66 20.120 6.446 14.654 1.00 25.13 N ATOM 0 H LYS A 66 19.452 5.134 10.326 1.00 34.21 H new ATOM 0 HA LYS A 66 18.427 6.944 12.338 1.00 23.11 H new ATOM 0 HB2 LYS A 66 20.217 7.029 10.002 1.00 61.25 H new ATOM 0 HB3 LYS A 66 19.287 8.488 10.281 1.00 61.25 H new ATOM 0 HG2 LYS A 66 21.363 8.661 11.543 1.00 51.55 H new ATOM 0 HG3 LYS A 66 20.047 8.480 12.685 1.00 51.55 H new ATOM 0 HD2 LYS A 66 20.717 5.835 12.225 1.00 2.30 H new ATOM 0 HD3 LYS A 66 22.279 6.611 12.057 1.00 2.30 H new ATOM 0 HE2 LYS A 66 22.200 6.185 14.370 1.00 13.13 H new ATOM 0 HE3 LYS A 66 21.661 7.851 14.295 1.00 13.13 H new ATOM 0 HZ1 LYS A 66 20.218 6.506 15.688 1.00 25.13 H new ATOM 0 HZ2 LYS A 66 19.366 7.090 14.339 1.00 25.13 H new ATOM 0 HZ3 LYS A 66 19.877 5.471 14.386 1.00 25.13 H new ATOM 1115 N ARG A 67 17.001 6.804 9.379 1.00 44.04 N ATOM 1116 CA ARG A 67 15.772 7.109 8.666 1.00 64.43 C ATOM 1117 C ARG A 67 14.563 6.594 9.449 1.00 10.30 C ATOM 1118 O ARG A 67 13.444 7.063 9.248 1.00 74.24 O ATOM 1119 CB ARG A 67 15.774 6.479 7.271 1.00 31.45 C ATOM 1120 CG ARG A 67 16.105 7.519 6.200 1.00 41.41 C ATOM 1121 CD ARG A 67 14.853 8.291 5.779 1.00 15.04 C ATOM 1122 NE ARG A 67 14.974 9.710 6.181 1.00 14.15 N ATOM 1123 CZ ARG A 67 15.899 10.560 5.688 1.00 52.40 C ATOM 1124 NH1 ARG A 67 16.793 10.141 4.768 1.00 62.11 N ATOM 1125 NH2 ARG A 67 15.916 11.808 6.119 1.00 52.03 N ATOM 0 H ARG A 67 17.713 6.335 8.820 1.00 44.04 H new ATOM 0 HA ARG A 67 15.708 8.192 8.563 1.00 64.43 H new ATOM 0 HB2 ARG A 67 16.503 5.670 7.235 1.00 31.45 H new ATOM 0 HB3 ARG A 67 14.798 6.038 7.066 1.00 31.45 H new ATOM 0 HG2 ARG A 67 16.853 8.213 6.582 1.00 41.41 H new ATOM 0 HG3 ARG A 67 16.541 7.026 5.332 1.00 41.41 H new ATOM 0 HD2 ARG A 67 14.718 8.221 4.700 1.00 15.04 H new ATOM 0 HD3 ARG A 67 13.970 7.848 6.240 1.00 15.04 H new ATOM 0 HE ARG A 67 14.317 10.068 6.874 1.00 14.15 H new ATOM 0 HH11 ARG A 67 16.773 9.175 4.440 1.00 62.11 H new ATOM 0 HH12 ARG A 67 17.489 10.790 4.401 1.00 62.11 H new ATOM 0 HH21 ARG A 67 15.237 12.117 6.814 1.00 52.03 H new ATOM 0 HH22 ARG A 67 16.609 12.463 5.757 1.00 52.03 H new ATOM 1138 N ILE A 68 14.829 5.637 10.326 1.00 44.51 N ATOM 1139 CA ILE A 68 13.777 5.054 11.140 1.00 12.54 C ATOM 1140 C ILE A 68 13.935 5.529 12.586 1.00 20.44 C ATOM 1141 O ILE A 68 12.981 5.494 13.363 1.00 43.45 O ATOM 1142 CB ILE A 68 13.764 3.532 10.990 1.00 23.13 C ATOM 1143 CG1 ILE A 68 15.131 3.015 10.536 1.00 31.55 C ATOM 1144 CG2 ILE A 68 12.641 3.082 10.053 1.00 3.54 C ATOM 1145 CD1 ILE A 68 15.144 1.486 10.469 1.00 12.03 C ATOM 0 H ILE A 68 15.759 5.251 10.490 1.00 44.51 H new ATOM 0 HA ILE A 68 12.799 5.392 10.798 1.00 12.54 H new ATOM 0 HB ILE A 68 13.562 3.094 11.967 1.00 23.13 H new ATOM 0 HG12 ILE A 68 15.373 3.428 9.557 1.00 31.55 H new ATOM 0 HG13 ILE A 68 15.901 3.359 11.226 1.00 31.55 H new ATOM 0 HG21 ILE A 68 12.655 1.996 9.964 1.00 3.54 H new ATOM 0 HG22 ILE A 68 11.680 3.401 10.457 1.00 3.54 H new ATOM 0 HG23 ILE A 68 12.787 3.528 9.069 1.00 3.54 H new ATOM 0 HD11 ILE A 68 16.127 1.144 10.144 1.00 12.03 H new ATOM 0 HD12 ILE A 68 14.926 1.077 11.455 1.00 12.03 H new ATOM 0 HD13 ILE A 68 14.389 1.146 9.760 1.00 12.03 H new ATOM 1157 N MET A 69 15.147 5.960 12.905 1.00 55.12 N ATOM 1158 CA MET A 69 15.442 6.441 14.244 1.00 70.41 C ATOM 1159 C MET A 69 15.400 5.296 15.259 1.00 43.23 C ATOM 1160 O MET A 69 15.130 5.517 16.438 1.00 14.20 O ATOM 1161 CB MET A 69 14.422 7.511 14.639 1.00 64.21 C ATOM 1162 CG MET A 69 14.000 8.340 13.425 1.00 41.44 C ATOM 1163 SD MET A 69 13.340 9.911 13.958 1.00 75.51 S ATOM 1164 CE MET A 69 14.218 11.007 12.857 1.00 60.44 C ATOM 0 H MET A 69 15.936 5.986 12.259 1.00 55.12 H new ATOM 0 HA MET A 69 16.446 6.866 14.244 1.00 70.41 H new ATOM 0 HB2 MET A 69 13.546 7.038 15.083 1.00 64.21 H new ATOM 0 HB3 MET A 69 14.851 8.164 15.399 1.00 64.21 H new ATOM 0 HG2 MET A 69 14.855 8.499 12.768 1.00 41.44 H new ATOM 0 HG3 MET A 69 13.251 7.799 12.847 1.00 41.44 H new ATOM 0 HE1 MET A 69 13.922 12.037 13.056 1.00 60.44 H new ATOM 0 HE2 MET A 69 15.291 10.901 13.017 1.00 60.44 H new ATOM 0 HE3 MET A 69 13.978 10.754 11.824 1.00 60.44 H new ATOM 1174 N LEU A 70 15.673 4.098 14.763 1.00 55.11 N ATOM 1175 CA LEU A 70 15.670 2.919 15.612 1.00 75.33 C ATOM 1176 C LEU A 70 16.776 3.048 16.661 1.00 70.35 C ATOM 1177 O LEU A 70 17.751 3.769 16.454 1.00 33.13 O ATOM 1178 CB LEU A 70 15.770 1.649 14.764 1.00 23.44 C ATOM 1179 CG LEU A 70 14.457 0.906 14.511 1.00 61.41 C ATOM 1180 CD1 LEU A 70 13.275 1.876 14.482 1.00 52.11 C ATOM 1181 CD2 LEU A 70 14.540 0.065 13.235 1.00 1.11 C ATOM 0 H LEU A 70 15.898 3.919 13.784 1.00 55.11 H new ATOM 0 HA LEU A 70 14.727 2.840 16.152 1.00 75.33 H new ATOM 0 HB2 LEU A 70 16.207 1.913 13.801 1.00 23.44 H new ATOM 0 HB3 LEU A 70 16.464 0.964 15.252 1.00 23.44 H new ATOM 0 HG LEU A 70 14.289 0.218 15.340 1.00 61.41 H new ATOM 0 HD11 LEU A 70 12.354 1.322 14.301 1.00 52.11 H new ATOM 0 HD12 LEU A 70 13.205 2.393 15.439 1.00 52.11 H new ATOM 0 HD13 LEU A 70 13.422 2.606 13.686 1.00 52.11 H new ATOM 0 HD21 LEU A 70 13.594 -0.453 13.078 1.00 1.11 H new ATOM 0 HD22 LEU A 70 14.743 0.715 12.384 1.00 1.11 H new ATOM 0 HD23 LEU A 70 15.342 -0.667 13.333 1.00 1.11 H new ATOM 1193 N PRO A 71 16.583 2.318 17.792 1.00 0.41 N ATOM 1194 CA PRO A 71 17.553 2.344 18.874 1.00 51.34 C ATOM 1195 C PRO A 71 18.795 1.525 18.516 1.00 11.32 C ATOM 1196 O PRO A 71 18.806 0.814 17.512 1.00 4.45 O ATOM 1197 CB PRO A 71 16.809 1.799 20.082 1.00 4.10 C ATOM 1198 CG PRO A 71 15.603 1.057 19.529 1.00 2.35 C ATOM 1199 CD PRO A 71 15.441 1.453 18.071 1.00 53.00 C ATOM 0 HA PRO A 71 17.932 3.346 19.076 1.00 51.34 H new ATOM 0 HB2 PRO A 71 17.445 1.132 20.664 1.00 4.10 H new ATOM 0 HB3 PRO A 71 16.500 2.606 20.747 1.00 4.10 H new ATOM 0 HG2 PRO A 71 15.743 -0.020 19.619 1.00 2.35 H new ATOM 0 HG3 PRO A 71 14.707 1.310 20.095 1.00 2.35 H new ATOM 0 HD2 PRO A 71 15.439 0.578 17.421 1.00 53.00 H new ATOM 0 HD3 PRO A 71 14.499 1.975 17.905 1.00 53.00 H new ATOM 1207 N PRO A 72 19.837 1.656 19.380 1.00 65.33 N ATOM 1208 CA PRO A 72 21.081 0.936 19.165 1.00 4.22 C ATOM 1209 C PRO A 72 20.927 -0.544 19.521 1.00 40.12 C ATOM 1210 O PRO A 72 21.858 -1.328 19.347 1.00 64.35 O ATOM 1211 CB PRO A 72 22.104 1.652 20.032 1.00 24.22 C ATOM 1212 CG PRO A 72 21.304 2.448 21.050 1.00 0.10 C ATOM 1213 CD PRO A 72 19.860 2.489 20.579 1.00 74.54 C ATOM 0 HA PRO A 72 21.393 0.937 18.120 1.00 4.22 H new ATOM 0 HB2 PRO A 72 22.765 0.939 20.526 1.00 24.22 H new ATOM 0 HB3 PRO A 72 22.734 2.308 19.431 1.00 24.22 H new ATOM 0 HG2 PRO A 72 21.371 1.985 22.035 1.00 0.10 H new ATOM 0 HG3 PRO A 72 21.704 3.458 21.144 1.00 0.10 H new ATOM 0 HD2 PRO A 72 19.184 2.104 21.342 1.00 74.54 H new ATOM 0 HD3 PRO A 72 19.544 3.509 20.359 1.00 74.54 H new ATOM 1221 N GLU A 73 19.744 -0.881 20.012 1.00 31.25 N ATOM 1222 CA GLU A 73 19.455 -2.253 20.394 1.00 65.31 C ATOM 1223 C GLU A 73 18.838 -3.012 19.218 1.00 74.41 C ATOM 1224 O GLU A 73 19.089 -4.204 19.043 1.00 42.45 O ATOM 1225 CB GLU A 73 18.540 -2.301 21.619 1.00 62.01 C ATOM 1226 CG GLU A 73 17.096 -1.967 21.238 1.00 5.10 C ATOM 1227 CD GLU A 73 16.172 -2.066 22.453 1.00 31.31 C ATOM 1228 OE1 GLU A 73 15.022 -1.607 22.396 1.00 13.51 O ATOM 1229 OE2 GLU A 73 16.686 -2.647 23.484 1.00 64.14 O ATOM 0 H GLU A 73 18.974 -0.228 20.154 1.00 31.25 H new ATOM 0 HA GLU A 73 20.392 -2.739 20.664 1.00 65.31 H new ATOM 0 HB2 GLU A 73 18.581 -3.293 22.069 1.00 62.01 H new ATOM 0 HB3 GLU A 73 18.894 -1.595 22.370 1.00 62.01 H new ATOM 0 HG2 GLU A 73 17.049 -0.961 20.822 1.00 5.10 H new ATOM 0 HG3 GLU A 73 16.754 -2.650 20.460 1.00 5.10 H new ATOM 1237 N LYS A 74 18.041 -2.292 18.443 1.00 51.43 N ATOM 1238 CA LYS A 74 17.385 -2.882 17.288 1.00 21.34 C ATOM 1239 C LYS A 74 18.445 -3.356 16.292 1.00 22.42 C ATOM 1240 O LYS A 74 19.633 -3.095 16.473 1.00 4.41 O ATOM 1241 CB LYS A 74 16.372 -1.905 16.689 1.00 12.14 C ATOM 1242 CG LYS A 74 14.978 -2.129 17.281 1.00 45.22 C ATOM 1243 CD LYS A 74 13.978 -2.523 16.193 1.00 71.34 C ATOM 1244 CE LYS A 74 13.942 -4.041 16.005 1.00 31.43 C ATOM 1245 NZ LYS A 74 13.335 -4.695 17.186 1.00 21.13 N ATOM 0 H LYS A 74 17.834 -1.304 18.592 1.00 51.43 H new ATOM 0 HA LYS A 74 16.810 -3.759 17.584 1.00 21.34 H new ATOM 0 HB2 LYS A 74 16.692 -0.881 16.880 1.00 12.14 H new ATOM 0 HB3 LYS A 74 16.336 -2.031 15.607 1.00 12.14 H new ATOM 0 HG2 LYS A 74 15.022 -2.910 18.040 1.00 45.22 H new ATOM 0 HG3 LYS A 74 14.640 -1.220 17.779 1.00 45.22 H new ATOM 0 HD2 LYS A 74 12.984 -2.162 16.459 1.00 71.34 H new ATOM 0 HD3 LYS A 74 14.250 -2.043 15.253 1.00 71.34 H new ATOM 0 HE2 LYS A 74 13.371 -4.289 15.111 1.00 31.43 H new ATOM 0 HE3 LYS A 74 14.953 -4.419 15.852 1.00 31.43 H new ATOM 0 HZ1 LYS A 74 12.932 -5.612 16.906 1.00 21.13 H new ATOM 0 HZ2 LYS A 74 14.064 -4.844 17.913 1.00 21.13 H new ATOM 0 HZ3 LYS A 74 12.582 -4.089 17.570 1.00 21.13 H new ATOM 1258 N ALA A 75 17.977 -4.046 15.262 1.00 1.31 N ATOM 1259 CA ALA A 75 18.870 -4.559 14.237 1.00 40.30 C ATOM 1260 C ALA A 75 18.096 -4.721 12.927 1.00 20.02 C ATOM 1261 O ALA A 75 17.292 -5.642 12.787 1.00 2.50 O ATOM 1262 CB ALA A 75 19.493 -5.873 14.713 1.00 14.31 C ATOM 0 H ALA A 75 16.991 -4.262 15.115 1.00 1.31 H new ATOM 0 HA ALA A 75 19.686 -3.860 14.054 1.00 40.30 H new ATOM 0 HB1 ALA A 75 20.163 -6.258 13.944 1.00 14.31 H new ATOM 0 HB2 ALA A 75 20.056 -5.698 15.630 1.00 14.31 H new ATOM 0 HB3 ALA A 75 18.705 -6.601 14.905 1.00 14.31 H new ATOM 1268 N ILE A 76 18.366 -3.813 12.001 1.00 14.42 N ATOM 1269 CA ILE A 76 17.705 -3.844 10.708 1.00 55.54 C ATOM 1270 C ILE A 76 18.642 -4.472 9.675 1.00 24.43 C ATOM 1271 O ILE A 76 19.814 -4.107 9.591 1.00 12.44 O ATOM 1272 CB ILE A 76 17.215 -2.446 10.323 1.00 73.12 C ATOM 1273 CG1 ILE A 76 15.947 -2.525 9.469 1.00 23.12 C ATOM 1274 CG2 ILE A 76 18.322 -1.648 9.632 1.00 42.10 C ATOM 1275 CD1 ILE A 76 15.564 -1.146 8.928 1.00 61.43 C ATOM 0 H ILE A 76 19.034 -3.051 12.121 1.00 14.42 H new ATOM 0 HA ILE A 76 16.813 -4.469 10.752 1.00 55.54 H new ATOM 0 HB ILE A 76 16.955 -1.912 11.237 1.00 73.12 H new ATOM 0 HG12 ILE A 76 16.105 -3.214 8.639 1.00 23.12 H new ATOM 0 HG13 ILE A 76 15.127 -2.926 10.065 1.00 23.12 H new ATOM 0 HG21 ILE A 76 17.947 -0.659 9.369 1.00 42.10 H new ATOM 0 HG22 ILE A 76 19.172 -1.547 10.306 1.00 42.10 H new ATOM 0 HG23 ILE A 76 18.636 -2.169 8.728 1.00 42.10 H new ATOM 0 HD11 ILE A 76 14.660 -1.230 8.325 1.00 61.43 H new ATOM 0 HD12 ILE A 76 15.383 -0.466 9.760 1.00 61.43 H new ATOM 0 HD13 ILE A 76 16.376 -0.758 8.313 1.00 61.43 H new ATOM 1287 N PHE A 77 18.092 -5.408 8.915 1.00 1.23 N ATOM 1288 CA PHE A 77 18.865 -6.091 7.892 1.00 51.01 C ATOM 1289 C PHE A 77 18.483 -5.597 6.495 1.00 32.11 C ATOM 1290 O PHE A 77 17.328 -5.252 6.249 1.00 30.21 O ATOM 1291 CB PHE A 77 18.534 -7.581 8.001 1.00 11.44 C ATOM 1292 CG PHE A 77 18.819 -8.182 9.379 1.00 14.44 C ATOM 1293 CD1 PHE A 77 18.007 -7.888 10.430 1.00 11.33 C ATOM 1294 CD2 PHE A 77 19.883 -9.010 9.553 1.00 3.23 C ATOM 1295 CE1 PHE A 77 18.271 -8.446 11.709 1.00 1.42 C ATOM 1296 CE2 PHE A 77 20.147 -9.568 10.832 1.00 4.41 C ATOM 1297 CZ PHE A 77 19.336 -9.274 11.883 1.00 12.20 C ATOM 0 H PHE A 77 17.120 -5.709 8.987 1.00 1.23 H new ATOM 0 HA PHE A 77 19.928 -5.899 8.038 1.00 51.01 H new ATOM 0 HB2 PHE A 77 17.480 -7.727 7.763 1.00 11.44 H new ATOM 0 HB3 PHE A 77 19.109 -8.126 7.252 1.00 11.44 H new ATOM 0 HD1 PHE A 77 17.162 -7.230 10.292 1.00 11.33 H new ATOM 0 HD2 PHE A 77 20.528 -9.244 8.719 1.00 3.23 H new ATOM 0 HE1 PHE A 77 17.626 -8.213 12.543 1.00 1.42 H new ATOM 0 HE2 PHE A 77 20.992 -10.226 10.970 1.00 4.41 H new ATOM 0 HZ PHE A 77 19.537 -9.698 12.856 1.00 12.20 H new ATOM 1307 N ILE A 78 19.475 -5.579 5.617 1.00 54.21 N ATOM 1308 CA ILE A 78 19.257 -5.133 4.251 1.00 11.12 C ATOM 1309 C ILE A 78 19.341 -6.334 3.307 1.00 22.25 C ATOM 1310 O ILE A 78 20.196 -7.202 3.476 1.00 24.04 O ATOM 1311 CB ILE A 78 20.225 -4.003 3.896 1.00 51.42 C ATOM 1312 CG1 ILE A 78 20.535 -3.140 5.121 1.00 33.53 C ATOM 1313 CG2 ILE A 78 19.690 -3.169 2.729 1.00 23.42 C ATOM 1314 CD1 ILE A 78 19.269 -2.462 5.649 1.00 52.14 C ATOM 0 H ILE A 78 20.432 -5.866 5.825 1.00 54.21 H new ATOM 0 HA ILE A 78 18.258 -4.712 4.143 1.00 11.12 H new ATOM 0 HB ILE A 78 21.165 -4.449 3.570 1.00 51.42 H new ATOM 0 HG12 ILE A 78 20.974 -3.758 5.904 1.00 33.53 H new ATOM 0 HG13 ILE A 78 21.275 -2.383 4.859 1.00 33.53 H new ATOM 0 HG21 ILE A 78 20.397 -2.373 2.497 1.00 23.42 H new ATOM 0 HG22 ILE A 78 19.562 -3.807 1.855 1.00 23.42 H new ATOM 0 HG23 ILE A 78 18.730 -2.733 3.004 1.00 23.42 H new ATOM 0 HD11 ILE A 78 19.517 -1.855 6.520 1.00 52.14 H new ATOM 0 HD12 ILE A 78 18.846 -1.826 4.872 1.00 52.14 H new ATOM 0 HD13 ILE A 78 18.541 -3.222 5.932 1.00 52.14 H new ATOM 1326 N PHE A 79 18.442 -6.346 2.334 1.00 21.04 N ATOM 1327 CA PHE A 79 18.404 -7.427 1.364 1.00 41.43 C ATOM 1328 C PHE A 79 18.492 -6.884 -0.064 1.00 74.13 C ATOM 1329 O PHE A 79 17.562 -6.238 -0.545 1.00 34.40 O ATOM 1330 CB PHE A 79 17.064 -8.142 1.543 1.00 32.34 C ATOM 1331 CG PHE A 79 16.859 -8.738 2.938 1.00 72.34 C ATOM 1332 CD1 PHE A 79 17.416 -9.938 3.253 1.00 2.00 C ATOM 1333 CD2 PHE A 79 16.119 -8.068 3.861 1.00 20.25 C ATOM 1334 CE1 PHE A 79 17.226 -10.491 4.547 1.00 70.00 C ATOM 1335 CE2 PHE A 79 15.929 -8.621 5.155 1.00 33.33 C ATOM 1336 CZ PHE A 79 16.486 -9.821 5.471 1.00 42.02 C ATOM 0 H PHE A 79 17.734 -5.624 2.197 1.00 21.04 H new ATOM 0 HA PHE A 79 19.248 -8.099 1.522 1.00 41.43 H new ATOM 0 HB2 PHE A 79 16.258 -7.438 1.338 1.00 32.34 H new ATOM 0 HB3 PHE A 79 16.987 -8.939 0.803 1.00 32.34 H new ATOM 0 HD1 PHE A 79 18.003 -10.470 2.519 1.00 2.00 H new ATOM 0 HD2 PHE A 79 15.676 -7.116 3.610 1.00 20.25 H new ATOM 0 HE1 PHE A 79 17.669 -11.444 4.798 1.00 70.00 H new ATOM 0 HE2 PHE A 79 15.342 -8.089 5.889 1.00 33.33 H new ATOM 0 HZ PHE A 79 16.341 -10.242 6.455 1.00 42.02 H new ATOM 1346 N VAL A 80 19.618 -7.166 -0.702 1.00 71.44 N ATOM 1347 CA VAL A 80 19.839 -6.715 -2.066 1.00 0.13 C ATOM 1348 C VAL A 80 19.526 -7.858 -3.034 1.00 0.51 C ATOM 1349 O VAL A 80 20.126 -8.928 -2.951 1.00 34.34 O ATOM 1350 CB VAL A 80 21.264 -6.179 -2.215 1.00 3.43 C ATOM 1351 CG1 VAL A 80 21.487 -5.594 -3.611 1.00 60.30 C ATOM 1352 CG2 VAL A 80 21.577 -5.145 -1.131 1.00 50.42 C ATOM 0 H VAL A 80 20.388 -7.701 -0.300 1.00 71.44 H new ATOM 0 HA VAL A 80 19.169 -5.891 -2.309 1.00 0.13 H new ATOM 0 HB VAL A 80 21.951 -7.016 -2.089 1.00 3.43 H new ATOM 0 HG11 VAL A 80 22.508 -5.220 -3.690 1.00 60.30 H new ATOM 0 HG12 VAL A 80 21.325 -6.369 -4.360 1.00 60.30 H new ATOM 0 HG13 VAL A 80 20.787 -4.776 -3.779 1.00 60.30 H new ATOM 0 HG21 VAL A 80 22.596 -4.780 -1.260 1.00 50.42 H new ATOM 0 HG22 VAL A 80 20.880 -4.311 -1.212 1.00 50.42 H new ATOM 0 HG23 VAL A 80 21.478 -5.607 -0.149 1.00 50.42 H new ATOM 1362 N ASN A 81 18.587 -7.591 -3.930 1.00 44.31 N ATOM 1363 CA ASN A 81 18.187 -8.583 -4.913 1.00 65.31 C ATOM 1364 C ASN A 81 18.123 -9.959 -4.246 1.00 5.41 C ATOM 1365 O ASN A 81 18.747 -10.909 -4.714 1.00 63.55 O ATOM 1366 CB ASN A 81 19.197 -8.661 -6.060 1.00 2.31 C ATOM 1367 CG ASN A 81 18.853 -7.657 -7.162 1.00 4.30 C ATOM 1368 OD1 ASN A 81 18.194 -7.970 -8.139 1.00 73.13 O ATOM 1369 ND2 ASN A 81 19.336 -6.435 -6.951 1.00 31.51 N ATOM 0 H ASN A 81 18.092 -6.702 -3.996 1.00 44.31 H new ATOM 0 HA ASN A 81 17.214 -8.292 -5.308 1.00 65.31 H new ATOM 0 HB2 ASN A 81 20.199 -8.461 -5.681 1.00 2.31 H new ATOM 0 HB3 ASN A 81 19.207 -9.670 -6.472 1.00 2.31 H new ATOM 0 HD21 ASN A 81 19.161 -5.693 -7.629 1.00 31.51 H new ATOM 0 HD22 ASN A 81 19.881 -6.240 -6.111 1.00 31.51 H new ATOM 1376 N ASP A 82 17.364 -10.020 -3.162 1.00 73.42 N ATOM 1377 CA ASP A 82 17.210 -11.264 -2.426 1.00 1.42 C ATOM 1378 C ASP A 82 18.590 -11.783 -2.017 1.00 11.34 C ATOM 1379 O ASP A 82 18.870 -12.974 -2.139 1.00 22.10 O ATOM 1380 CB ASP A 82 16.538 -12.335 -3.287 1.00 44.43 C ATOM 1381 CG ASP A 82 15.356 -11.843 -4.125 1.00 31.23 C ATOM 1382 OD1 ASP A 82 15.482 -11.617 -5.337 1.00 63.13 O ATOM 1383 OD2 ASP A 82 14.253 -11.691 -3.474 1.00 33.23 O ATOM 0 H ASP A 82 16.849 -9.229 -2.775 1.00 73.42 H new ATOM 0 HA ASP A 82 16.590 -11.064 -1.552 1.00 1.42 H new ATOM 0 HB2 ASP A 82 17.285 -12.764 -3.956 1.00 44.43 H new ATOM 0 HB3 ASP A 82 16.193 -13.139 -2.637 1.00 44.43 H new ATOM 1389 N THR A 83 19.415 -10.863 -1.539 1.00 42.21 N ATOM 1390 CA THR A 83 20.759 -11.213 -1.111 1.00 40.21 C ATOM 1391 C THR A 83 21.147 -10.414 0.135 1.00 34.51 C ATOM 1392 O THR A 83 20.605 -9.338 0.380 1.00 11.34 O ATOM 1393 CB THR A 83 21.705 -10.991 -2.293 1.00 55.23 C ATOM 1394 OG1 THR A 83 22.696 -12.002 -2.139 1.00 63.34 O ATOM 1395 CG2 THR A 83 22.487 -9.681 -2.179 1.00 63.13 C ATOM 0 H THR A 83 19.179 -9.876 -1.439 1.00 42.21 H new ATOM 0 HA THR A 83 20.820 -12.261 -0.819 1.00 40.21 H new ATOM 0 HB THR A 83 21.133 -10.992 -3.221 1.00 55.23 H new ATOM 0 HG1 THR A 83 23.350 -11.932 -2.865 1.00 63.34 H new ATOM 0 HG21 THR A 83 23.143 -9.573 -3.043 1.00 63.13 H new ATOM 0 HG22 THR A 83 21.790 -8.843 -2.145 1.00 63.13 H new ATOM 0 HG23 THR A 83 23.085 -9.693 -1.268 1.00 63.13 H new ATOM 1403 N LEU A 84 22.082 -10.973 0.890 1.00 75.25 N ATOM 1404 CA LEU A 84 22.548 -10.327 2.104 1.00 0.14 C ATOM 1405 C LEU A 84 24.074 -10.225 2.069 1.00 42.42 C ATOM 1406 O LEU A 84 24.772 -11.146 2.491 1.00 53.33 O ATOM 1407 CB LEU A 84 22.009 -11.053 3.339 1.00 70.05 C ATOM 1408 CG LEU A 84 21.698 -10.174 4.552 1.00 45.03 C ATOM 1409 CD1 LEU A 84 20.220 -9.784 4.582 1.00 54.42 C ATOM 1410 CD2 LEU A 84 22.138 -10.855 5.849 1.00 30.23 C ATOM 0 H LEU A 84 22.529 -11.866 0.684 1.00 75.25 H new ATOM 0 HA LEU A 84 22.161 -9.310 2.166 1.00 0.14 H new ATOM 0 HB2 LEU A 84 21.099 -11.582 3.056 1.00 70.05 H new ATOM 0 HB3 LEU A 84 22.737 -11.807 3.639 1.00 70.05 H new ATOM 0 HG LEU A 84 22.272 -9.252 4.462 1.00 45.03 H new ATOM 0 HD11 LEU A 84 20.026 -9.160 5.454 1.00 54.42 H new ATOM 0 HD12 LEU A 84 19.971 -9.230 3.677 1.00 54.42 H new ATOM 0 HD13 LEU A 84 19.607 -10.684 4.637 1.00 54.42 H new ATOM 0 HD21 LEU A 84 21.906 -10.209 6.696 1.00 30.23 H new ATOM 0 HD22 LEU A 84 21.611 -11.802 5.960 1.00 30.23 H new ATOM 0 HD23 LEU A 84 23.212 -11.039 5.817 1.00 30.23 H new ATOM 1422 N PRO A 85 24.561 -9.066 1.548 1.00 74.32 N ATOM 1423 CA PRO A 85 25.991 -8.832 1.452 1.00 43.44 C ATOM 1424 C PRO A 85 26.587 -8.506 2.823 1.00 51.43 C ATOM 1425 O PRO A 85 25.854 -8.250 3.777 1.00 62.10 O ATOM 1426 CB PRO A 85 26.137 -7.694 0.455 1.00 41.43 C ATOM 1427 CG PRO A 85 24.774 -7.025 0.383 1.00 73.44 C ATOM 1428 CD PRO A 85 23.764 -7.954 1.038 1.00 4.44 C ATOM 0 HA PRO A 85 26.539 -9.712 1.116 1.00 43.44 H new ATOM 0 HB2 PRO A 85 26.902 -6.988 0.778 1.00 41.43 H new ATOM 0 HB3 PRO A 85 26.441 -8.068 -0.523 1.00 41.43 H new ATOM 0 HG2 PRO A 85 24.794 -6.062 0.893 1.00 73.44 H new ATOM 0 HG3 PRO A 85 24.498 -6.831 -0.654 1.00 73.44 H new ATOM 0 HD2 PRO A 85 23.226 -7.451 1.841 1.00 4.44 H new ATOM 0 HD3 PRO A 85 23.018 -8.297 0.321 1.00 4.44 H new ATOM 1436 N PRO A 86 27.946 -8.525 2.878 1.00 34.44 N ATOM 1437 CA PRO A 86 28.648 -8.235 4.117 1.00 41.23 C ATOM 1438 C PRO A 86 28.623 -6.736 4.423 1.00 51.13 C ATOM 1439 O PRO A 86 28.169 -5.939 3.603 1.00 13.13 O ATOM 1440 CB PRO A 86 30.053 -8.775 3.908 1.00 45.13 C ATOM 1441 CG PRO A 86 30.222 -8.928 2.405 1.00 42.52 C ATOM 1442 CD PRO A 86 28.846 -8.824 1.768 1.00 12.24 C ATOM 0 HA PRO A 86 28.181 -8.701 4.985 1.00 41.23 H new ATOM 0 HB2 PRO A 86 30.798 -8.093 4.317 1.00 45.13 H new ATOM 0 HB3 PRO A 86 30.183 -9.731 4.415 1.00 45.13 H new ATOM 0 HG2 PRO A 86 30.883 -8.154 2.014 1.00 42.52 H new ATOM 0 HG3 PRO A 86 30.681 -9.888 2.168 1.00 42.52 H new ATOM 0 HD2 PRO A 86 28.818 -8.039 1.013 1.00 12.24 H new ATOM 0 HD3 PRO A 86 28.568 -9.754 1.272 1.00 12.24 H new ATOM 1450 N THR A 87 29.117 -6.397 5.605 1.00 72.44 N ATOM 1451 CA THR A 87 29.157 -5.008 6.029 1.00 72.30 C ATOM 1452 C THR A 87 30.424 -4.328 5.507 1.00 14.51 C ATOM 1453 O THR A 87 30.550 -3.106 5.577 1.00 21.02 O ATOM 1454 CB THR A 87 29.034 -4.976 7.554 1.00 73.03 C ATOM 1455 OG1 THR A 87 29.452 -3.661 7.908 1.00 43.20 O ATOM 1456 CG2 THR A 87 30.050 -5.889 8.243 1.00 41.23 C ATOM 0 H THR A 87 29.493 -7.061 6.282 1.00 72.44 H new ATOM 0 HA THR A 87 28.326 -4.442 5.609 1.00 72.30 H new ATOM 0 HB THR A 87 28.026 -5.273 7.843 1.00 73.03 H new ATOM 0 HG1 THR A 87 29.689 -3.164 7.097 1.00 43.20 H new ATOM 0 HG21 THR A 87 29.919 -5.829 9.323 1.00 41.23 H new ATOM 0 HG22 THR A 87 29.896 -6.917 7.916 1.00 41.23 H new ATOM 0 HG23 THR A 87 31.060 -5.572 7.981 1.00 41.23 H new ATOM 1464 N ALA A 88 31.330 -5.148 4.995 1.00 14.34 N ATOM 1465 CA ALA A 88 32.582 -4.640 4.462 1.00 42.01 C ATOM 1466 C ALA A 88 32.413 -4.342 2.971 1.00 52.32 C ATOM 1467 O ALA A 88 33.109 -3.489 2.422 1.00 53.13 O ATOM 1468 CB ALA A 88 33.699 -5.651 4.731 1.00 11.31 C ATOM 0 H ALA A 88 31.222 -6.161 4.938 1.00 14.34 H new ATOM 0 HA ALA A 88 32.859 -3.708 4.955 1.00 42.01 H new ATOM 0 HB1 ALA A 88 34.639 -5.270 4.331 1.00 11.31 H new ATOM 0 HB2 ALA A 88 33.798 -5.806 5.805 1.00 11.31 H new ATOM 0 HB3 ALA A 88 33.457 -6.598 4.248 1.00 11.31 H new ATOM 1474 N ALA A 89 31.484 -5.061 2.358 1.00 40.21 N ATOM 1475 CA ALA A 89 31.214 -4.884 0.941 1.00 3.21 C ATOM 1476 C ALA A 89 31.120 -3.389 0.627 1.00 22.41 C ATOM 1477 O ALA A 89 30.550 -2.623 1.402 1.00 75.31 O ATOM 1478 CB ALA A 89 29.938 -5.640 0.566 1.00 42.11 C ATOM 0 H ALA A 89 30.909 -5.767 2.817 1.00 40.21 H new ATOM 0 HA ALA A 89 32.025 -5.296 0.341 1.00 3.21 H new ATOM 0 HB1 ALA A 89 29.735 -5.507 -0.497 1.00 42.11 H new ATOM 0 HB2 ALA A 89 30.067 -6.701 0.781 1.00 42.11 H new ATOM 0 HB3 ALA A 89 29.101 -5.251 1.146 1.00 42.11 H new ATOM 1484 N LEU A 90 31.689 -3.020 -0.511 1.00 10.51 N ATOM 1485 CA LEU A 90 31.676 -1.630 -0.937 1.00 64.40 C ATOM 1486 C LEU A 90 30.413 -1.365 -1.759 1.00 5.12 C ATOM 1487 O LEU A 90 30.034 -2.177 -2.601 1.00 65.21 O ATOM 1488 CB LEU A 90 32.973 -1.284 -1.672 1.00 53.32 C ATOM 1489 CG LEU A 90 33.561 0.098 -1.379 1.00 23.21 C ATOM 1490 CD1 LEU A 90 33.887 0.250 0.108 1.00 11.52 C ATOM 1491 CD2 LEU A 90 34.779 0.374 -2.263 1.00 54.25 C ATOM 0 H LEU A 90 32.162 -3.658 -1.151 1.00 10.51 H new ATOM 0 HA LEU A 90 31.639 -0.966 -0.073 1.00 64.40 H new ATOM 0 HB2 LEU A 90 33.721 -2.036 -1.421 1.00 53.32 H new ATOM 0 HB3 LEU A 90 32.791 -1.360 -2.744 1.00 53.32 H new ATOM 0 HG LEU A 90 32.809 0.848 -1.623 1.00 23.21 H new ATOM 0 HD11 LEU A 90 34.303 1.241 0.290 1.00 11.52 H new ATOM 0 HD12 LEU A 90 32.977 0.126 0.695 1.00 11.52 H new ATOM 0 HD13 LEU A 90 34.613 -0.508 0.401 1.00 11.52 H new ATOM 0 HD21 LEU A 90 35.178 1.362 -2.035 1.00 54.25 H new ATOM 0 HD22 LEU A 90 35.544 -0.379 -2.073 1.00 54.25 H new ATOM 0 HD23 LEU A 90 34.484 0.335 -3.312 1.00 54.25 H new ATOM 1503 N MET A 91 29.797 -0.225 -1.485 1.00 52.42 N ATOM 1504 CA MET A 91 28.584 0.158 -2.189 1.00 4.13 C ATOM 1505 C MET A 91 28.870 0.426 -3.668 1.00 20.32 C ATOM 1506 O MET A 91 27.946 0.595 -4.462 1.00 34.25 O ATOM 1507 CB MET A 91 27.997 1.416 -1.546 1.00 52.23 C ATOM 1508 CG MET A 91 27.827 1.233 -0.037 1.00 20.12 C ATOM 1509 SD MET A 91 26.891 -0.250 0.297 1.00 50.14 S ATOM 1510 CE MET A 91 25.363 0.155 -0.533 1.00 63.23 C ATOM 0 H MET A 91 30.114 0.446 -0.786 1.00 52.42 H new ATOM 0 HA MET A 91 27.871 -0.663 -2.120 1.00 4.13 H new ATOM 0 HB2 MET A 91 28.650 2.267 -1.741 1.00 52.23 H new ATOM 0 HB3 MET A 91 27.032 1.644 -1.999 1.00 52.23 H new ATOM 0 HG2 MET A 91 28.804 1.172 0.443 1.00 20.12 H new ATOM 0 HG3 MET A 91 27.317 2.098 0.387 1.00 20.12 H new ATOM 0 HE1 MET A 91 24.557 -0.459 -0.131 1.00 63.23 H new ATOM 0 HE2 MET A 91 25.131 1.208 -0.374 1.00 63.23 H new ATOM 0 HE3 MET A 91 25.467 -0.037 -1.601 1.00 63.23 H new ATOM 1520 N SER A 92 30.154 0.456 -3.994 1.00 31.23 N ATOM 1521 CA SER A 92 30.573 0.700 -5.363 1.00 72.05 C ATOM 1522 C SER A 92 30.602 -0.616 -6.144 1.00 41.41 C ATOM 1523 O SER A 92 30.156 -0.672 -7.289 1.00 34.52 O ATOM 1524 CB SER A 92 31.946 1.374 -5.408 1.00 15.13 C ATOM 1525 OG SER A 92 32.222 1.938 -6.687 1.00 2.33 O ATOM 0 H SER A 92 30.918 0.315 -3.333 1.00 31.23 H new ATOM 0 HA SER A 92 29.852 1.374 -5.826 1.00 72.05 H new ATOM 0 HB2 SER A 92 31.991 2.156 -4.650 1.00 15.13 H new ATOM 0 HB3 SER A 92 32.717 0.644 -5.160 1.00 15.13 H new ATOM 0 HG SER A 92 31.977 1.297 -7.387 1.00 2.33 H new ATOM 1531 N ALA A 93 31.132 -1.641 -5.494 1.00 4.24 N ATOM 1532 CA ALA A 93 31.226 -2.952 -6.112 1.00 72.24 C ATOM 1533 C ALA A 93 29.883 -3.673 -5.975 1.00 41.14 C ATOM 1534 O ALA A 93 29.535 -4.508 -6.809 1.00 20.14 O ATOM 1535 CB ALA A 93 32.376 -3.736 -5.477 1.00 32.14 C ATOM 0 H ALA A 93 31.501 -1.590 -4.545 1.00 4.24 H new ATOM 0 HA ALA A 93 31.444 -2.859 -7.176 1.00 72.24 H new ATOM 0 HB1 ALA A 93 32.446 -4.720 -5.941 1.00 32.14 H new ATOM 0 HB2 ALA A 93 33.311 -3.196 -5.628 1.00 32.14 H new ATOM 0 HB3 ALA A 93 32.192 -3.851 -4.409 1.00 32.14 H new ATOM 1541 N ILE A 94 29.165 -3.323 -4.918 1.00 25.40 N ATOM 1542 CA ILE A 94 27.869 -3.926 -4.661 1.00 74.52 C ATOM 1543 C ILE A 94 26.867 -3.436 -5.708 1.00 74.12 C ATOM 1544 O ILE A 94 26.318 -4.232 -6.468 1.00 71.43 O ATOM 1545 CB ILE A 94 27.431 -3.662 -3.219 1.00 54.53 C ATOM 1546 CG1 ILE A 94 28.207 -4.543 -2.240 1.00 25.45 C ATOM 1547 CG2 ILE A 94 25.918 -3.830 -3.066 1.00 54.33 C ATOM 1548 CD1 ILE A 94 27.894 -6.024 -2.467 1.00 15.55 C ATOM 0 H ILE A 94 29.457 -2.629 -4.230 1.00 25.40 H new ATOM 0 HA ILE A 94 27.927 -5.010 -4.758 1.00 74.52 H new ATOM 0 HB ILE A 94 27.666 -2.626 -2.975 1.00 54.53 H new ATOM 0 HG12 ILE A 94 29.277 -4.371 -2.360 1.00 25.45 H new ATOM 0 HG13 ILE A 94 27.953 -4.267 -1.217 1.00 25.45 H new ATOM 0 HG21 ILE A 94 25.633 -3.637 -2.032 1.00 54.33 H new ATOM 0 HG22 ILE A 94 25.406 -3.126 -3.721 1.00 54.33 H new ATOM 0 HG23 ILE A 94 25.636 -4.848 -3.336 1.00 54.33 H new ATOM 0 HD11 ILE A 94 28.459 -6.628 -1.757 1.00 15.55 H new ATOM 0 HD12 ILE A 94 26.828 -6.197 -2.322 1.00 15.55 H new ATOM 0 HD13 ILE A 94 28.172 -6.303 -3.483 1.00 15.55 H new ATOM 1560 N TYR A 95 26.658 -2.128 -5.714 1.00 44.43 N ATOM 1561 CA TYR A 95 25.732 -1.522 -6.656 1.00 1.44 C ATOM 1562 C TYR A 95 26.138 -1.828 -8.099 1.00 1.33 C ATOM 1563 O TYR A 95 25.298 -1.828 -8.997 1.00 33.31 O ATOM 1564 CB TYR A 95 25.821 -0.012 -6.423 1.00 24.15 C ATOM 1565 CG TYR A 95 25.152 0.826 -7.513 1.00 13.51 C ATOM 1566 CD1 TYR A 95 25.709 0.891 -8.774 1.00 11.12 C ATOM 1567 CD2 TYR A 95 23.990 1.519 -7.235 1.00 61.45 C ATOM 1568 CE1 TYR A 95 25.079 1.680 -9.800 1.00 15.40 C ATOM 1569 CE2 TYR A 95 23.360 2.308 -8.262 1.00 32.13 C ATOM 1570 CZ TYR A 95 23.935 2.350 -9.493 1.00 61.13 C ATOM 1571 OH TYR A 95 23.340 3.095 -10.463 1.00 13.45 O ATOM 0 H TYR A 95 27.114 -1.471 -5.081 1.00 44.43 H new ATOM 0 HA TYR A 95 24.724 -1.910 -6.506 1.00 1.44 H new ATOM 0 HB2 TYR A 95 25.361 0.225 -5.463 1.00 24.15 H new ATOM 0 HB3 TYR A 95 26.871 0.273 -6.353 1.00 24.15 H new ATOM 0 HD1 TYR A 95 26.618 0.350 -8.991 1.00 11.12 H new ATOM 0 HD2 TYR A 95 23.554 1.469 -6.248 1.00 61.45 H new ATOM 0 HE1 TYR A 95 25.505 1.739 -10.791 1.00 15.40 H new ATOM 0 HE2 TYR A 95 22.451 2.854 -8.059 1.00 32.13 H new ATOM 0 HH TYR A 95 22.834 2.508 -11.063 1.00 13.45 H new ATOM 1581 N GLN A 96 27.426 -2.080 -8.276 1.00 64.53 N ATOM 1582 CA GLN A 96 27.954 -2.387 -9.595 1.00 21.41 C ATOM 1583 C GLN A 96 27.492 -3.776 -10.042 1.00 11.24 C ATOM 1584 O GLN A 96 27.230 -3.997 -11.223 1.00 43.51 O ATOM 1585 CB GLN A 96 29.481 -2.286 -9.612 1.00 14.11 C ATOM 1586 CG GLN A 96 29.934 -0.926 -10.147 1.00 32.10 C ATOM 1587 CD GLN A 96 31.368 -0.616 -9.713 1.00 30.50 C ATOM 1588 OE1 GLN A 96 31.653 0.398 -9.098 1.00 54.11 O ATOM 1589 NE2 GLN A 96 32.252 -1.545 -10.066 1.00 44.22 N ATOM 0 H GLN A 96 28.120 -2.078 -7.528 1.00 64.53 H new ATOM 0 HA GLN A 96 27.566 -1.652 -10.300 1.00 21.41 H new ATOM 0 HB2 GLN A 96 29.870 -2.432 -8.604 1.00 14.11 H new ATOM 0 HB3 GLN A 96 29.895 -3.081 -10.232 1.00 14.11 H new ATOM 0 HG2 GLN A 96 29.870 -0.920 -11.235 1.00 32.10 H new ATOM 0 HG3 GLN A 96 29.264 -0.147 -9.784 1.00 32.10 H new ATOM 0 HE21 GLN A 96 31.946 -2.371 -10.580 1.00 44.22 H new ATOM 0 HE22 GLN A 96 33.236 -1.432 -9.822 1.00 44.22 H new ATOM 1598 N GLU A 97 27.405 -4.676 -9.073 1.00 45.31 N ATOM 1599 CA GLU A 97 26.979 -6.037 -9.352 1.00 4.31 C ATOM 1600 C GLU A 97 25.501 -6.213 -8.999 1.00 2.04 C ATOM 1601 O GLU A 97 24.937 -7.288 -9.194 1.00 33.34 O ATOM 1602 CB GLU A 97 27.847 -7.048 -8.600 1.00 1.21 C ATOM 1603 CG GLU A 97 29.259 -7.103 -9.188 1.00 34.41 C ATOM 1604 CD GLU A 97 30.078 -8.223 -8.542 1.00 53.14 C ATOM 1605 OE1 GLU A 97 29.503 -9.162 -7.972 1.00 72.13 O ATOM 1606 OE2 GLU A 97 31.357 -8.094 -8.649 1.00 52.13 O ATOM 0 H GLU A 97 27.622 -4.489 -8.094 1.00 45.31 H new ATOM 0 HA GLU A 97 27.102 -6.225 -10.419 1.00 4.31 H new ATOM 0 HB2 GLU A 97 27.899 -6.775 -7.546 1.00 1.21 H new ATOM 0 HB3 GLU A 97 27.389 -8.036 -8.652 1.00 1.21 H new ATOM 0 HG2 GLU A 97 29.203 -7.263 -10.265 1.00 34.41 H new ATOM 0 HG3 GLU A 97 29.759 -6.147 -9.034 1.00 34.41 H new ATOM 1614 N HIS A 98 24.916 -5.141 -8.485 1.00 44.31 N ATOM 1615 CA HIS A 98 23.515 -5.164 -8.103 1.00 13.52 C ATOM 1616 C HIS A 98 22.777 -4.012 -8.789 1.00 71.10 C ATOM 1617 O HIS A 98 21.629 -3.721 -8.458 1.00 75.12 O ATOM 1618 CB HIS A 98 23.366 -5.139 -6.580 1.00 64.03 C ATOM 1619 CG HIS A 98 23.416 -6.504 -5.936 1.00 73.24 C ATOM 1620 ND1 HIS A 98 22.406 -7.440 -6.084 1.00 4.50 N ATOM 1621 CD2 HIS A 98 24.363 -7.082 -5.143 1.00 12.53 C ATOM 1622 CE1 HIS A 98 22.741 -8.527 -5.405 1.00 10.44 C ATOM 1623 NE2 HIS A 98 23.954 -8.303 -4.821 1.00 54.45 N ATOM 0 H HIS A 98 25.387 -4.251 -8.324 1.00 44.31 H new ATOM 0 HA HIS A 98 23.058 -6.095 -8.440 1.00 13.52 H new ATOM 0 HB2 HIS A 98 24.158 -4.520 -6.158 1.00 64.03 H new ATOM 0 HB3 HIS A 98 22.419 -4.663 -6.325 1.00 64.03 H new ATOM 0 HD2 HIS A 98 25.289 -6.624 -4.830 1.00 12.53 H new ATOM 0 HE1 HIS A 98 22.157 -9.432 -5.327 1.00 10.44 H new ATOM 0 HE2 HIS A 98 24.462 -8.965 -4.234 1.00 54.45 H new ATOM 1631 N LYS A 99 23.467 -3.388 -9.732 1.00 61.23 N ATOM 1632 CA LYS A 99 22.892 -2.275 -10.468 1.00 71.11 C ATOM 1633 C LYS A 99 21.622 -2.743 -11.182 1.00 65.25 C ATOM 1634 O LYS A 99 21.611 -3.805 -11.804 1.00 2.40 O ATOM 1635 CB LYS A 99 23.932 -1.657 -11.404 1.00 62.15 C ATOM 1636 CG LYS A 99 23.259 -0.968 -12.593 1.00 42.22 C ATOM 1637 CD LYS A 99 23.195 -1.901 -13.804 1.00 4.10 C ATOM 1638 CE LYS A 99 24.591 -2.145 -14.382 1.00 72.11 C ATOM 1639 NZ LYS A 99 24.849 -1.231 -15.517 1.00 11.42 N ATOM 0 H LYS A 99 24.419 -3.632 -10.003 1.00 61.23 H new ATOM 0 HA LYS A 99 22.599 -1.478 -9.785 1.00 71.11 H new ATOM 0 HB2 LYS A 99 24.537 -0.935 -10.855 1.00 62.15 H new ATOM 0 HB3 LYS A 99 24.609 -2.432 -11.764 1.00 62.15 H new ATOM 0 HG2 LYS A 99 22.252 -0.657 -12.315 1.00 42.22 H new ATOM 0 HG3 LYS A 99 23.810 -0.065 -12.854 1.00 42.22 H new ATOM 0 HD2 LYS A 99 22.747 -2.851 -13.513 1.00 4.10 H new ATOM 0 HD3 LYS A 99 22.552 -1.466 -14.569 1.00 4.10 H new ATOM 0 HE2 LYS A 99 25.343 -1.994 -13.608 1.00 72.11 H new ATOM 0 HE3 LYS A 99 24.678 -3.180 -14.714 1.00 72.11 H new ATOM 0 HZ1 LYS A 99 25.800 -1.410 -15.897 1.00 11.42 H new ATOM 0 HZ2 LYS A 99 24.142 -1.394 -16.262 1.00 11.42 H new ATOM 0 HZ3 LYS A 99 24.786 -0.246 -15.190 1.00 11.42 H new ATOM 1652 N ASP A 100 20.584 -1.928 -11.070 1.00 71.31 N ATOM 1653 CA ASP A 100 19.312 -2.246 -11.697 1.00 43.35 C ATOM 1654 C ASP A 100 19.392 -1.925 -13.191 1.00 73.35 C ATOM 1655 O ASP A 100 20.417 -1.447 -13.674 1.00 22.32 O ATOM 1656 CB ASP A 100 18.178 -1.414 -11.095 1.00 42.13 C ATOM 1657 CG ASP A 100 16.776 -1.992 -11.295 1.00 52.11 C ATOM 1658 OD1 ASP A 100 15.990 -1.492 -12.114 1.00 32.31 O ATOM 1659 OD2 ASP A 100 16.497 -3.013 -10.558 1.00 14.25 O ATOM 0 H ASP A 100 20.597 -1.048 -10.555 1.00 71.31 H new ATOM 0 HA ASP A 100 19.109 -3.304 -11.532 1.00 43.35 H new ATOM 0 HB2 ASP A 100 18.359 -1.300 -10.026 1.00 42.13 H new ATOM 0 HB3 ASP A 100 18.209 -0.416 -11.531 1.00 42.13 H new ATOM 1665 N LYS A 101 18.295 -2.202 -13.882 1.00 44.44 N ATOM 1666 CA LYS A 101 18.228 -1.949 -15.312 1.00 0.23 C ATOM 1667 C LYS A 101 17.948 -0.464 -15.550 1.00 3.41 C ATOM 1668 O LYS A 101 18.129 0.036 -16.659 1.00 71.45 O ATOM 1669 CB LYS A 101 17.210 -2.880 -15.973 1.00 61.21 C ATOM 1670 CG LYS A 101 17.559 -4.347 -15.713 1.00 63.03 C ATOM 1671 CD LYS A 101 18.190 -4.988 -16.951 1.00 42.11 C ATOM 1672 CE LYS A 101 18.419 -6.485 -16.737 1.00 33.51 C ATOM 1673 NZ LYS A 101 17.231 -7.257 -17.165 1.00 72.43 N ATOM 0 H LYS A 101 17.446 -2.599 -13.479 1.00 44.44 H new ATOM 0 HA LYS A 101 19.185 -2.173 -15.784 1.00 0.23 H new ATOM 0 HB2 LYS A 101 16.213 -2.666 -15.588 1.00 61.21 H new ATOM 0 HB3 LYS A 101 17.184 -2.693 -17.047 1.00 61.21 H new ATOM 0 HG2 LYS A 101 18.248 -4.417 -14.872 1.00 63.03 H new ATOM 0 HG3 LYS A 101 16.659 -4.895 -15.434 1.00 63.03 H new ATOM 0 HD2 LYS A 101 17.542 -4.835 -17.814 1.00 42.11 H new ATOM 0 HD3 LYS A 101 19.139 -4.500 -17.174 1.00 42.11 H new ATOM 0 HE2 LYS A 101 19.294 -6.809 -17.301 1.00 33.51 H new ATOM 0 HE3 LYS A 101 18.628 -6.680 -15.685 1.00 33.51 H new ATOM 0 HZ1 LYS A 101 17.403 -8.271 -17.013 1.00 72.43 H new ATOM 0 HZ2 LYS A 101 16.404 -6.959 -16.609 1.00 72.43 H new ATOM 0 HZ3 LYS A 101 17.050 -7.084 -18.174 1.00 72.43 H new ATOM 1686 N ASP A 102 17.512 0.201 -14.490 1.00 71.01 N ATOM 1687 CA ASP A 102 17.205 1.619 -14.570 1.00 4.11 C ATOM 1688 C ASP A 102 18.325 2.417 -13.899 1.00 45.15 C ATOM 1689 O ASP A 102 18.188 3.619 -13.675 1.00 32.42 O ATOM 1690 CB ASP A 102 15.897 1.941 -13.846 1.00 13.30 C ATOM 1691 CG ASP A 102 14.729 1.008 -14.174 1.00 5.11 C ATOM 1692 OD1 ASP A 102 14.754 0.285 -15.181 1.00 33.54 O ATOM 1693 OD2 ASP A 102 13.751 1.043 -13.334 1.00 20.11 O ATOM 0 H ASP A 102 17.364 -0.216 -13.571 1.00 71.01 H new ATOM 0 HA ASP A 102 17.109 1.884 -15.623 1.00 4.11 H new ATOM 0 HB2 ASP A 102 16.077 1.909 -12.771 1.00 13.30 H new ATOM 0 HB3 ASP A 102 15.606 2.963 -14.091 1.00 13.30 H new ATOM 1699 N GLY A 103 19.409 1.717 -13.599 1.00 21.34 N ATOM 1700 CA GLY A 103 20.552 2.345 -12.958 1.00 63.24 C ATOM 1701 C GLY A 103 20.442 2.260 -11.435 1.00 4.24 C ATOM 1702 O GLY A 103 21.308 1.684 -10.777 1.00 50.42 O ATOM 0 H GLY A 103 19.520 0.721 -13.788 1.00 21.34 H new ATOM 0 HA2 GLY A 103 21.470 1.859 -13.287 1.00 63.24 H new ATOM 0 HA3 GLY A 103 20.616 3.389 -13.264 1.00 63.24 H new ATOM 1706 N PHE A 104 19.371 2.843 -10.917 1.00 74.54 N ATOM 1707 CA PHE A 104 19.136 2.840 -9.483 1.00 42.24 C ATOM 1708 C PHE A 104 19.409 1.459 -8.885 1.00 63.44 C ATOM 1709 O PHE A 104 19.584 0.485 -9.617 1.00 11.23 O ATOM 1710 CB PHE A 104 17.663 3.193 -9.270 1.00 73.35 C ATOM 1711 CG PHE A 104 17.424 4.648 -8.864 1.00 54.44 C ATOM 1712 CD1 PHE A 104 17.922 5.117 -7.689 1.00 13.11 C ATOM 1713 CD2 PHE A 104 16.713 5.474 -9.679 1.00 70.30 C ATOM 1714 CE1 PHE A 104 17.700 6.468 -7.312 1.00 52.10 C ATOM 1715 CE2 PHE A 104 16.491 6.825 -9.302 1.00 61.42 C ATOM 1716 CZ PHE A 104 16.989 7.293 -8.127 1.00 2.33 C ATOM 0 H PHE A 104 18.656 3.321 -11.465 1.00 74.54 H new ATOM 0 HA PHE A 104 19.800 3.554 -8.996 1.00 42.24 H new ATOM 0 HB2 PHE A 104 17.114 2.988 -10.189 1.00 73.35 H new ATOM 0 HB3 PHE A 104 17.251 2.540 -8.501 1.00 73.35 H new ATOM 0 HD1 PHE A 104 18.487 4.462 -7.042 1.00 13.11 H new ATOM 0 HD2 PHE A 104 16.318 5.102 -10.613 1.00 70.30 H new ATOM 0 HE1 PHE A 104 18.096 6.840 -6.379 1.00 52.10 H new ATOM 0 HE2 PHE A 104 15.927 7.480 -9.949 1.00 61.42 H new ATOM 0 HZ PHE A 104 16.820 8.320 -7.840 1.00 2.33 H new ATOM 1726 N LEU A 105 19.438 1.417 -7.561 1.00 52.24 N ATOM 1727 CA LEU A 105 19.687 0.171 -6.857 1.00 13.12 C ATOM 1728 C LEU A 105 18.441 -0.215 -6.057 1.00 72.32 C ATOM 1729 O LEU A 105 17.979 0.550 -5.212 1.00 23.10 O ATOM 1730 CB LEU A 105 20.954 0.280 -6.006 1.00 51.43 C ATOM 1731 CG LEU A 105 21.750 -1.013 -5.819 1.00 51.14 C ATOM 1732 CD1 LEU A 105 22.365 -1.474 -7.142 1.00 42.11 C ATOM 1733 CD2 LEU A 105 22.804 -0.854 -4.721 1.00 75.45 C ATOM 0 H LEU A 105 19.293 2.226 -6.957 1.00 52.24 H new ATOM 0 HA LEU A 105 19.875 -0.636 -7.565 1.00 13.12 H new ATOM 0 HB2 LEU A 105 21.609 1.024 -6.459 1.00 51.43 H new ATOM 0 HB3 LEU A 105 20.675 0.657 -5.022 1.00 51.43 H new ATOM 0 HG LEU A 105 21.062 -1.794 -5.494 1.00 51.14 H new ATOM 0 HD11 LEU A 105 22.925 -2.395 -6.981 1.00 42.11 H new ATOM 0 HD12 LEU A 105 21.573 -1.653 -7.869 1.00 42.11 H new ATOM 0 HD13 LEU A 105 23.036 -0.702 -7.520 1.00 42.11 H new ATOM 0 HD21 LEU A 105 23.356 -1.787 -4.608 1.00 75.45 H new ATOM 0 HD22 LEU A 105 23.494 -0.055 -4.992 1.00 75.45 H new ATOM 0 HD23 LEU A 105 22.314 -0.606 -3.779 1.00 75.45 H new ATOM 1745 N TYR A 106 17.932 -1.402 -6.353 1.00 32.35 N ATOM 1746 CA TYR A 106 16.748 -1.900 -5.672 1.00 4.43 C ATOM 1747 C TYR A 106 17.131 -2.773 -4.475 1.00 15.43 C ATOM 1748 O TYR A 106 17.717 -3.841 -4.643 1.00 11.32 O ATOM 1749 CB TYR A 106 16.002 -2.757 -6.696 1.00 20.25 C ATOM 1750 CG TYR A 106 15.213 -1.949 -7.728 1.00 3.24 C ATOM 1751 CD1 TYR A 106 15.850 -0.984 -8.482 1.00 22.04 C ATOM 1752 CD2 TYR A 106 13.865 -2.184 -7.905 1.00 21.23 C ATOM 1753 CE1 TYR A 106 15.108 -0.223 -9.453 1.00 71.21 C ATOM 1754 CE2 TYR A 106 13.123 -1.423 -8.876 1.00 72.41 C ATOM 1755 CZ TYR A 106 13.781 -0.480 -9.602 1.00 71.44 C ATOM 1756 OH TYR A 106 13.080 0.238 -10.520 1.00 12.22 O ATOM 0 H TYR A 106 18.318 -2.034 -7.055 1.00 32.35 H new ATOM 0 HA TYR A 106 16.143 -1.074 -5.299 1.00 4.43 H new ATOM 0 HB2 TYR A 106 16.721 -3.389 -7.217 1.00 20.25 H new ATOM 0 HB3 TYR A 106 15.317 -3.421 -6.169 1.00 20.25 H new ATOM 0 HD1 TYR A 106 16.905 -0.800 -8.343 1.00 22.04 H new ATOM 0 HD2 TYR A 106 13.366 -2.939 -7.315 1.00 21.23 H new ATOM 0 HE1 TYR A 106 15.594 0.535 -10.050 1.00 71.21 H new ATOM 0 HE2 TYR A 106 12.068 -1.597 -9.025 1.00 72.41 H new ATOM 0 HH TYR A 106 13.603 0.314 -11.345 1.00 12.22 H new ATOM 1766 N VAL A 107 16.783 -2.285 -3.293 1.00 32.43 N ATOM 1767 CA VAL A 107 17.082 -3.008 -2.068 1.00 0.20 C ATOM 1768 C VAL A 107 15.900 -2.881 -1.104 1.00 43.04 C ATOM 1769 O VAL A 107 15.083 -1.971 -1.235 1.00 42.10 O ATOM 1770 CB VAL A 107 18.397 -2.503 -1.471 1.00 22.12 C ATOM 1771 CG1 VAL A 107 18.553 -0.996 -1.682 1.00 53.13 C ATOM 1772 CG2 VAL A 107 18.499 -2.862 0.013 1.00 30.10 C ATOM 0 H VAL A 107 16.297 -1.398 -3.158 1.00 32.43 H new ATOM 0 HA VAL A 107 17.220 -4.069 -2.275 1.00 0.20 H new ATOM 0 HB VAL A 107 19.214 -3.000 -1.993 1.00 22.12 H new ATOM 0 HG11 VAL A 107 19.496 -0.664 -1.248 1.00 53.13 H new ATOM 0 HG12 VAL A 107 18.547 -0.776 -2.749 1.00 53.13 H new ATOM 0 HG13 VAL A 107 17.727 -0.474 -1.199 1.00 53.13 H new ATOM 0 HG21 VAL A 107 19.443 -2.492 0.413 1.00 30.10 H new ATOM 0 HG22 VAL A 107 17.671 -2.406 0.555 1.00 30.10 H new ATOM 0 HG23 VAL A 107 18.456 -3.945 0.129 1.00 30.10 H new ATOM 1782 N THR A 108 15.847 -3.807 -0.158 1.00 64.14 N ATOM 1783 CA THR A 108 14.779 -3.810 0.827 1.00 62.33 C ATOM 1784 C THR A 108 15.311 -4.264 2.188 1.00 74.02 C ATOM 1785 O THR A 108 15.909 -5.333 2.300 1.00 50.22 O ATOM 1786 CB THR A 108 13.646 -4.689 0.293 1.00 64.31 C ATOM 1787 OG1 THR A 108 13.342 -4.128 -0.981 1.00 2.21 O ATOM 1788 CG2 THR A 108 12.352 -4.525 1.091 1.00 13.14 C ATOM 0 H THR A 108 16.526 -4.560 -0.053 1.00 64.14 H new ATOM 0 HA THR A 108 14.384 -2.807 0.986 1.00 62.33 H new ATOM 0 HB THR A 108 13.956 -5.734 0.316 1.00 64.31 H new ATOM 0 HG1 THR A 108 12.618 -4.639 -1.399 1.00 2.21 H new ATOM 0 HG21 THR A 108 11.581 -5.171 0.670 1.00 13.14 H new ATOM 0 HG22 THR A 108 12.528 -4.800 2.131 1.00 13.14 H new ATOM 0 HG23 THR A 108 12.023 -3.487 1.041 1.00 13.14 H new ATOM 1796 N TYR A 109 15.073 -3.429 3.188 1.00 13.23 N ATOM 1797 CA TYR A 109 15.520 -3.731 4.538 1.00 52.54 C ATOM 1798 C TYR A 109 14.340 -4.112 5.434 1.00 71.33 C ATOM 1799 O TYR A 109 13.203 -3.726 5.167 1.00 31.20 O ATOM 1800 CB TYR A 109 16.153 -2.444 5.070 1.00 43.54 C ATOM 1801 CG TYR A 109 15.231 -1.225 5.009 1.00 53.41 C ATOM 1802 CD1 TYR A 109 14.102 -1.173 5.802 1.00 63.13 C ATOM 1803 CD2 TYR A 109 15.527 -0.176 4.161 1.00 31.33 C ATOM 1804 CE1 TYR A 109 13.234 -0.026 5.745 1.00 51.23 C ATOM 1805 CE2 TYR A 109 14.659 0.971 4.104 1.00 34.12 C ATOM 1806 CZ TYR A 109 13.555 0.990 4.899 1.00 71.43 C ATOM 1807 OH TYR A 109 12.735 2.073 4.845 1.00 52.12 O ATOM 0 H TYR A 109 14.576 -2.543 3.091 1.00 13.23 H new ATOM 0 HA TYR A 109 16.217 -4.569 4.533 1.00 52.54 H new ATOM 0 HB2 TYR A 109 16.460 -2.603 6.104 1.00 43.54 H new ATOM 0 HB3 TYR A 109 17.056 -2.232 4.498 1.00 43.54 H new ATOM 0 HD1 TYR A 109 13.870 -1.993 6.465 1.00 63.13 H new ATOM 0 HD2 TYR A 109 16.410 -0.216 3.540 1.00 31.33 H new ATOM 0 HE1 TYR A 109 12.348 0.027 6.360 1.00 51.23 H new ATOM 0 HE2 TYR A 109 14.879 1.798 3.445 1.00 34.12 H new ATOM 0 HH TYR A 109 12.517 2.272 3.910 1.00 52.12 H new ATOM 1817 N SER A 110 14.651 -4.866 6.478 1.00 11.11 N ATOM 1818 CA SER A 110 13.630 -5.304 7.415 1.00 25.12 C ATOM 1819 C SER A 110 14.247 -5.516 8.799 1.00 3.12 C ATOM 1820 O SER A 110 15.299 -6.141 8.925 1.00 3.30 O ATOM 1821 CB SER A 110 12.955 -6.589 6.933 1.00 62.43 C ATOM 1822 OG SER A 110 11.802 -6.909 7.706 1.00 31.32 O ATOM 0 H SER A 110 15.595 -5.185 6.696 1.00 11.11 H new ATOM 0 HA SER A 110 12.868 -4.527 7.478 1.00 25.12 H new ATOM 0 HB2 SER A 110 12.671 -6.478 5.887 1.00 62.43 H new ATOM 0 HB3 SER A 110 13.666 -7.413 6.985 1.00 62.43 H new ATOM 0 HG SER A 110 10.999 -6.588 7.245 1.00 31.32 H new ATOM 1828 N GLY A 111 13.566 -4.983 9.803 1.00 21.31 N ATOM 1829 CA GLY A 111 14.034 -5.106 11.173 1.00 31.13 C ATOM 1830 C GLY A 111 14.410 -6.553 11.497 1.00 62.53 C ATOM 1831 O GLY A 111 15.236 -6.803 12.373 1.00 5.21 O ATOM 0 H GLY A 111 12.694 -4.465 9.695 1.00 21.31 H new ATOM 0 HA2 GLY A 111 14.898 -4.459 11.325 1.00 31.13 H new ATOM 0 HA3 GLY A 111 13.257 -4.766 11.858 1.00 31.13 H new ATOM 1835 N GLU A 112 13.786 -7.470 10.772 1.00 53.34 N ATOM 1836 CA GLU A 112 14.045 -8.886 10.970 1.00 13.32 C ATOM 1837 C GLU A 112 15.170 -9.354 10.046 1.00 63.20 C ATOM 1838 O GLU A 112 15.723 -8.562 9.284 1.00 21.23 O ATOM 1839 CB GLU A 112 12.775 -9.711 10.751 1.00 65.35 C ATOM 1840 CG GLU A 112 12.226 -9.506 9.338 1.00 55.04 C ATOM 1841 CD GLU A 112 11.108 -10.506 9.033 1.00 23.25 C ATOM 1842 OE1 GLU A 112 10.875 -11.434 9.822 1.00 1.15 O ATOM 1843 OE2 GLU A 112 10.471 -10.293 7.932 1.00 33.25 O ATOM 0 H GLU A 112 13.101 -7.260 10.046 1.00 53.34 H new ATOM 0 HA GLU A 112 14.363 -9.037 12.002 1.00 13.32 H new ATOM 0 HB2 GLU A 112 12.991 -10.767 10.912 1.00 65.35 H new ATOM 0 HB3 GLU A 112 12.020 -9.425 11.483 1.00 65.35 H new ATOM 0 HG2 GLU A 112 11.847 -8.489 9.235 1.00 55.04 H new ATOM 0 HG3 GLU A 112 13.030 -9.621 8.611 1.00 55.04 H new ATOM 1851 N ASN A 113 15.476 -10.640 10.143 1.00 4.44 N ATOM 1852 CA ASN A 113 16.526 -11.223 9.326 1.00 42.05 C ATOM 1853 C ASN A 113 15.931 -12.329 8.452 1.00 51.12 C ATOM 1854 O ASN A 113 16.380 -13.473 8.501 1.00 41.14 O ATOM 1855 CB ASN A 113 17.620 -11.845 10.195 1.00 24.03 C ATOM 1856 CG ASN A 113 18.741 -12.429 9.333 1.00 50.15 C ATOM 1857 OD1 ASN A 113 19.162 -13.562 9.500 1.00 45.52 O ATOM 1858 ND2 ASN A 113 19.198 -11.595 8.403 1.00 43.01 N ATOM 0 H ASN A 113 15.015 -11.294 10.775 1.00 4.44 H new ATOM 0 HA ASN A 113 16.958 -10.429 8.716 1.00 42.05 H new ATOM 0 HB2 ASN A 113 18.029 -11.090 10.866 1.00 24.03 H new ATOM 0 HB3 ASN A 113 17.191 -12.629 10.820 1.00 24.03 H new ATOM 0 HD21 ASN A 113 19.946 -11.891 7.776 1.00 43.01 H new ATOM 0 HD22 ASN A 113 18.801 -10.659 8.317 1.00 43.01 H new ATOM 1865 N THR A 114 14.929 -11.949 7.673 1.00 52.20 N ATOM 1866 CA THR A 114 14.267 -12.894 6.790 1.00 63.13 C ATOM 1867 C THR A 114 14.739 -12.697 5.348 1.00 41.42 C ATOM 1868 O THR A 114 14.742 -11.576 4.840 1.00 63.42 O ATOM 1869 CB THR A 114 12.757 -12.726 6.963 1.00 15.42 C ATOM 1870 OG1 THR A 114 12.570 -11.315 7.033 1.00 43.40 O ATOM 1871 CG2 THR A 114 12.262 -13.234 8.319 1.00 25.20 C ATOM 0 H THR A 114 14.559 -10.999 7.635 1.00 52.20 H new ATOM 0 HA THR A 114 14.525 -13.922 7.046 1.00 63.13 H new ATOM 0 HB THR A 114 12.240 -13.258 6.165 1.00 15.42 H new ATOM 0 HG1 THR A 114 11.865 -11.047 6.407 1.00 43.40 H new ATOM 0 HG21 THR A 114 11.184 -13.091 8.390 1.00 25.20 H new ATOM 0 HG22 THR A 114 12.495 -14.294 8.417 1.00 25.20 H new ATOM 0 HG23 THR A 114 12.755 -12.679 9.117 1.00 25.20 H new ATOM 1879 N PHE A 115 15.126 -13.802 4.729 1.00 22.30 N ATOM 1880 CA PHE A 115 15.599 -13.765 3.356 1.00 40.15 C ATOM 1881 C PHE A 115 14.491 -14.175 2.383 1.00 64.10 C ATOM 1882 O PHE A 115 14.726 -14.285 1.181 1.00 73.45 O ATOM 1883 CB PHE A 115 16.750 -14.767 3.251 1.00 30.53 C ATOM 1884 CG PHE A 115 17.953 -14.427 4.133 1.00 63.30 C ATOM 1885 CD1 PHE A 115 17.855 -14.526 5.486 1.00 54.11 C ATOM 1886 CD2 PHE A 115 19.122 -14.026 3.564 1.00 75.11 C ATOM 1887 CE1 PHE A 115 18.971 -14.210 6.304 1.00 23.11 C ATOM 1888 CE2 PHE A 115 20.238 -13.710 4.382 1.00 23.32 C ATOM 1889 CZ PHE A 115 20.140 -13.809 5.735 1.00 15.00 C ATOM 0 H PHE A 115 15.122 -14.729 5.153 1.00 22.30 H new ATOM 0 HA PHE A 115 15.916 -12.754 3.099 1.00 40.15 H new ATOM 0 HB2 PHE A 115 16.382 -15.757 3.521 1.00 30.53 H new ATOM 0 HB3 PHE A 115 17.077 -14.821 2.213 1.00 30.53 H new ATOM 0 HD1 PHE A 115 16.928 -14.845 5.938 1.00 54.11 H new ATOM 0 HD2 PHE A 115 19.201 -13.948 2.490 1.00 75.11 H new ATOM 0 HE1 PHE A 115 18.892 -14.288 7.378 1.00 23.11 H new ATOM 0 HE2 PHE A 115 21.165 -13.391 3.930 1.00 23.32 H new ATOM 0 HZ PHE A 115 20.990 -13.569 6.357 1.00 15.00 H new ATOM 1899 N GLY A 116 13.309 -14.390 2.940 1.00 55.02 N ATOM 1900 CA GLY A 116 12.164 -14.786 2.137 1.00 40.42 C ATOM 1901 C GLY A 116 11.997 -16.306 2.132 1.00 71.50 C ATOM 1902 O GLY A 116 10.979 -16.821 1.671 1.00 22.24 O ATOM 0 H GLY A 116 13.119 -14.298 3.938 1.00 55.02 H new ATOM 0 HA2 GLY A 116 11.261 -14.319 2.530 1.00 40.42 H new ATOM 0 HA3 GLY A 116 12.290 -14.427 1.116 1.00 40.42 H new TER 1906 GLY A 116