USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.0163 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 0.826 (180deg=0.801) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0238 USER MOD Single : A 11 LYS NZ :NH3+ -123:sc= 1.35 (180deg=-0.367) USER MOD Single : A 16 GLN : amide:sc= 0.133 K(o=0.13,f=-0.86) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 56:sc= 1.43 USER MOD Single : A 34 MET CE :methyl -132:sc= -7.18! (180deg=-11.3!) USER MOD Single : A 35 CYS SG : rot 83:sc= 1.53 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 81:sc= 2.05 USER MOD Single : A 38 TYR OH : rot -64:sc= 1.24 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 86:sc= 0.107 USER MOD Single : A 52 TYR OH : rot 165:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 66:sc= -1.7 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 0.913 (180deg=0.903) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.708! K(o=-0.71!,f=0.018) USER MOD Single : A 79 ASN : amide:sc= -0.0853 K(o=-0.085,f=-1.1) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 82 MET CE :methyl -158:sc= -0.315 (180deg=-0.972) USER MOD Single : A 83 HIS : no HD1:sc= -0.225 X(o=-0.23,f=-0.069) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : A 88 ASN : amide:sc= 0.512 K(o=0.51,f=-0.17) USER MOD Single : A 89 GLN : amide:sc= 0.622 K(o=0.62,f=-1.6) USER MOD Single : A 91 ASN : amide:sc= -0.0316 K(o=-0.032,f=-5.4!) USER MOD Single : A 98 ASN : amide:sc= 0.336 K(o=0.34,f=-0.26) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0769 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0.00075) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.078 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.024 -2.764 -0.322 1.00 13.31 N ATOM 2 CA GLY A 1 -26.901 -2.432 0.560 1.00 2.45 C ATOM 3 C GLY A 1 -26.299 -3.708 1.096 1.00 4.12 C ATOM 4 O GLY A 1 -27.034 -4.576 1.568 1.00 74.51 O ATOM 0 H1 GLY A 1 -28.780 -2.060 -0.201 1.00 13.31 H new ATOM 0 H2 GLY A 1 -27.702 -2.759 -1.311 1.00 13.31 H new ATOM 0 H3 GLY A 1 -28.388 -3.708 -0.081 1.00 13.31 H new ATOM 0 HA2 GLY A 1 -26.149 -1.862 0.013 1.00 2.45 H new ATOM 0 HA3 GLY A 1 -27.242 -1.803 1.382 1.00 2.45 H new ATOM 8 N MET A 2 -24.981 -3.860 0.977 1.00 44.21 N ATOM 9 CA MET A 2 -24.267 -5.046 1.431 1.00 11.53 C ATOM 10 C MET A 2 -23.784 -4.749 2.855 1.00 12.35 C ATOM 11 O MET A 2 -24.364 -5.256 3.816 1.00 65.01 O ATOM 12 CB MET A 2 -23.165 -5.415 0.415 1.00 11.04 C ATOM 13 CG MET A 2 -22.969 -6.921 0.226 1.00 54.51 C ATOM 14 SD MET A 2 -22.756 -7.899 1.734 1.00 22.14 S ATOM 15 CE MET A 2 -21.862 -9.305 1.027 1.00 63.14 C ATOM 0 H MET A 2 -24.375 -3.154 0.558 1.00 44.21 H new ATOM 0 HA MET A 2 -24.892 -5.938 1.478 1.00 11.53 H new ATOM 0 HB2 MET A 2 -23.409 -4.967 -0.548 1.00 11.04 H new ATOM 0 HB3 MET A 2 -22.223 -4.975 0.741 1.00 11.04 H new ATOM 0 HG2 MET A 2 -23.830 -7.312 -0.317 1.00 54.51 H new ATOM 0 HG3 MET A 2 -22.096 -7.075 -0.408 1.00 54.51 H new ATOM 0 HE1 MET A 2 -21.638 -10.026 1.813 1.00 63.14 H new ATOM 0 HE2 MET A 2 -22.477 -9.780 0.263 1.00 63.14 H new ATOM 0 HE3 MET A 2 -20.932 -8.956 0.579 1.00 63.14 H new ATOM 25 N GLY A 3 -22.817 -3.838 3.007 1.00 60.54 N ATOM 26 CA GLY A 3 -22.311 -3.368 4.291 1.00 33.44 C ATOM 27 C GLY A 3 -20.796 -3.280 4.235 1.00 0.30 C ATOM 28 O GLY A 3 -20.118 -4.204 4.679 1.00 44.31 O ATOM 0 H GLY A 3 -22.354 -3.397 2.212 1.00 60.54 H new ATOM 0 HA2 GLY A 3 -22.734 -2.391 4.526 1.00 33.44 H new ATOM 0 HA3 GLY A 3 -22.618 -4.048 5.086 1.00 33.44 H new ATOM 32 N THR A 4 -20.286 -2.227 3.596 1.00 1.34 N ATOM 33 CA THR A 4 -18.944 -2.186 3.018 1.00 53.32 C ATOM 34 C THR A 4 -18.325 -0.789 3.196 1.00 2.53 C ATOM 35 O THR A 4 -17.694 -0.259 2.279 1.00 25.12 O ATOM 36 CB THR A 4 -19.062 -2.610 1.537 1.00 74.43 C ATOM 37 OG1 THR A 4 -20.073 -1.851 0.876 1.00 24.40 O ATOM 38 CG2 THR A 4 -19.414 -4.094 1.395 1.00 33.12 C ATOM 0 H THR A 4 -20.807 -1.360 3.463 1.00 1.34 H new ATOM 0 HA THR A 4 -18.270 -2.875 3.527 1.00 53.32 H new ATOM 0 HB THR A 4 -18.088 -2.427 1.082 1.00 74.43 H new ATOM 0 HG1 THR A 4 -20.133 -2.132 -0.061 1.00 24.40 H new ATOM 0 HG21 THR A 4 -19.487 -4.351 0.338 1.00 33.12 H new ATOM 0 HG22 THR A 4 -18.637 -4.699 1.862 1.00 33.12 H new ATOM 0 HG23 THR A 4 -20.369 -4.290 1.883 1.00 33.12 H new ATOM 46 N THR A 5 -18.615 -0.135 4.326 1.00 1.31 N ATOM 47 CA THR A 5 -18.474 1.320 4.462 1.00 3.25 C ATOM 48 C THR A 5 -17.998 1.728 5.869 1.00 14.44 C ATOM 49 O THR A 5 -18.116 2.889 6.279 1.00 23.44 O ATOM 50 CB THR A 5 -19.800 2.013 4.052 1.00 74.51 C ATOM 51 OG1 THR A 5 -20.813 1.114 3.591 1.00 63.34 O ATOM 52 CG2 THR A 5 -19.532 3.022 2.938 1.00 54.11 C ATOM 0 H THR A 5 -18.953 -0.597 5.170 1.00 1.31 H new ATOM 0 HA THR A 5 -17.692 1.661 3.784 1.00 3.25 H new ATOM 0 HB THR A 5 -20.171 2.490 4.959 1.00 74.51 H new ATOM 0 HG1 THR A 5 -21.617 1.621 3.353 1.00 63.34 H new ATOM 0 HG21 THR A 5 -20.466 3.506 2.653 1.00 54.11 H new ATOM 0 HG22 THR A 5 -18.826 3.774 3.290 1.00 54.11 H new ATOM 0 HG23 THR A 5 -19.112 2.507 2.074 1.00 54.11 H new ATOM 60 N GLU A 6 -17.513 0.758 6.641 1.00 41.20 N ATOM 61 CA GLU A 6 -16.859 0.914 7.936 1.00 73.41 C ATOM 62 C GLU A 6 -15.627 1.812 7.837 1.00 3.34 C ATOM 63 O GLU A 6 -15.035 1.930 6.767 1.00 71.22 O ATOM 64 CB GLU A 6 -16.480 -0.485 8.434 1.00 54.23 C ATOM 65 CG GLU A 6 -15.565 -1.289 7.473 1.00 3.54 C ATOM 66 CD GLU A 6 -15.781 -2.798 7.599 1.00 34.31 C ATOM 67 OE1 GLU A 6 -16.146 -3.262 8.701 1.00 62.54 O ATOM 68 OE2 GLU A 6 -15.642 -3.543 6.606 1.00 51.41 O ATOM 0 H GLU A 6 -17.571 -0.221 6.359 1.00 41.20 H new ATOM 0 HA GLU A 6 -17.537 1.398 8.639 1.00 73.41 H new ATOM 0 HB2 GLU A 6 -15.978 -0.390 9.397 1.00 54.23 H new ATOM 0 HB3 GLU A 6 -17.393 -1.055 8.606 1.00 54.23 H new ATOM 0 HG2 GLU A 6 -15.759 -0.980 6.446 1.00 3.54 H new ATOM 0 HG3 GLU A 6 -14.522 -1.054 7.685 1.00 3.54 H new ATOM 75 N LYS A 7 -15.210 2.423 8.949 1.00 52.54 N ATOM 76 CA LYS A 7 -14.015 3.262 9.021 1.00 34.42 C ATOM 77 C LYS A 7 -13.010 2.613 9.953 1.00 13.25 C ATOM 78 O LYS A 7 -13.368 1.738 10.744 1.00 32.43 O ATOM 79 CB LYS A 7 -14.369 4.674 9.518 1.00 12.13 C ATOM 80 CG LYS A 7 -14.954 5.554 8.410 1.00 20.33 C ATOM 81 CD LYS A 7 -16.451 5.352 8.169 1.00 20.34 C ATOM 82 CE LYS A 7 -16.928 6.157 6.964 1.00 42.45 C ATOM 83 NZ LYS A 7 -18.312 5.792 6.611 1.00 41.12 N ATOM 0 H LYS A 7 -15.703 2.346 9.839 1.00 52.54 H new ATOM 0 HA LYS A 7 -13.583 3.356 8.025 1.00 34.42 H new ATOM 0 HB2 LYS A 7 -15.086 4.599 10.335 1.00 12.13 H new ATOM 0 HB3 LYS A 7 -13.475 5.149 9.921 1.00 12.13 H new ATOM 0 HG2 LYS A 7 -14.776 6.600 8.661 1.00 20.33 H new ATOM 0 HG3 LYS A 7 -14.418 5.353 7.482 1.00 20.33 H new ATOM 0 HD2 LYS A 7 -16.657 4.294 8.008 1.00 20.34 H new ATOM 0 HD3 LYS A 7 -17.009 5.654 9.055 1.00 20.34 H new ATOM 0 HE2 LYS A 7 -16.873 7.223 7.187 1.00 42.45 H new ATOM 0 HE3 LYS A 7 -16.270 5.974 6.114 1.00 42.45 H new ATOM 0 HZ1 LYS A 7 -18.584 6.273 5.730 1.00 41.12 H new ATOM 0 HZ2 LYS A 7 -18.376 4.763 6.477 1.00 41.12 H new ATOM 0 HZ3 LYS A 7 -18.954 6.082 7.376 1.00 41.12 H new ATOM 97 N SER A 8 -11.760 3.049 9.868 1.00 13.53 N ATOM 98 CA SER A 8 -10.673 2.558 10.681 1.00 44.53 C ATOM 99 C SER A 8 -9.674 3.698 10.914 1.00 31.15 C ATOM 100 O SER A 8 -9.763 4.786 10.333 1.00 11.23 O ATOM 101 CB SER A 8 -10.065 1.351 9.954 1.00 2.01 C ATOM 102 OG SER A 8 -9.191 0.653 10.809 1.00 20.54 O ATOM 0 H SER A 8 -11.474 3.775 9.211 1.00 13.53 H new ATOM 0 HA SER A 8 -11.001 2.227 11.666 1.00 44.53 H new ATOM 0 HB2 SER A 8 -10.859 0.686 9.613 1.00 2.01 H new ATOM 0 HB3 SER A 8 -9.527 1.686 9.067 1.00 2.01 H new ATOM 0 HG SER A 8 -8.812 -0.115 10.333 1.00 20.54 H new ATOM 108 N GLY A 9 -8.698 3.449 11.780 1.00 15.32 N ATOM 109 CA GLY A 9 -7.676 4.400 12.175 1.00 21.43 C ATOM 110 C GLY A 9 -6.349 4.055 11.524 1.00 31.51 C ATOM 111 O GLY A 9 -5.339 4.053 12.223 1.00 60.14 O ATOM 0 H GLY A 9 -8.597 2.545 12.241 1.00 15.32 H new ATOM 0 HA2 GLY A 9 -7.978 5.407 11.888 1.00 21.43 H new ATOM 0 HA3 GLY A 9 -7.568 4.397 13.260 1.00 21.43 H new ATOM 115 N ILE A 10 -6.347 3.737 10.228 1.00 74.42 N ATOM 116 CA ILE A 10 -5.193 3.314 9.445 1.00 62.23 C ATOM 117 C ILE A 10 -4.559 4.534 8.766 1.00 33.32 C ATOM 118 O ILE A 10 -5.265 5.351 8.181 1.00 13.43 O ATOM 119 CB ILE A 10 -5.658 2.284 8.391 1.00 51.55 C ATOM 120 CG1 ILE A 10 -6.309 1.059 9.063 1.00 43.54 C ATOM 121 CG2 ILE A 10 -4.448 1.848 7.556 1.00 75.45 C ATOM 122 CD1 ILE A 10 -7.088 0.146 8.106 1.00 0.54 C ATOM 0 H ILE A 10 -7.200 3.771 9.669 1.00 74.42 H new ATOM 0 HA ILE A 10 -4.446 2.853 10.091 1.00 62.23 H new ATOM 0 HB ILE A 10 -6.407 2.747 7.748 1.00 51.55 H new ATOM 0 HG12 ILE A 10 -5.531 0.472 9.552 1.00 43.54 H new ATOM 0 HG13 ILE A 10 -6.985 1.406 9.845 1.00 43.54 H new ATOM 0 HG21 ILE A 10 -4.765 1.121 6.809 1.00 75.45 H new ATOM 0 HG22 ILE A 10 -4.018 2.717 7.058 1.00 75.45 H new ATOM 0 HG23 ILE A 10 -3.700 1.396 8.208 1.00 75.45 H new ATOM 0 HD11 ILE A 10 -7.512 -0.689 8.664 1.00 0.54 H new ATOM 0 HD12 ILE A 10 -7.891 0.713 7.636 1.00 0.54 H new ATOM 0 HD13 ILE A 10 -6.415 -0.235 7.338 1.00 0.54 H new ATOM 134 N LYS A 11 -3.224 4.665 8.837 1.00 74.14 N ATOM 135 CA LYS A 11 -2.472 5.794 8.285 1.00 54.04 C ATOM 136 C LYS A 11 -1.245 5.366 7.483 1.00 54.11 C ATOM 137 O LYS A 11 -0.418 6.198 7.115 1.00 54.12 O ATOM 138 CB LYS A 11 -2.097 6.799 9.384 1.00 24.13 C ATOM 139 CG LYS A 11 -3.303 7.346 10.156 1.00 13.44 C ATOM 140 CD LYS A 11 -3.875 6.461 11.267 1.00 65.31 C ATOM 141 CE LYS A 11 -3.188 6.700 12.591 1.00 41.54 C ATOM 142 NZ LYS A 11 -3.563 5.670 13.581 1.00 31.01 N ATOM 0 H LYS A 11 -2.629 3.972 9.290 1.00 74.14 H new ATOM 0 HA LYS A 11 -3.138 6.289 7.578 1.00 54.04 H new ATOM 0 HB2 LYS A 11 -1.415 6.319 10.086 1.00 24.13 H new ATOM 0 HB3 LYS A 11 -1.557 7.632 8.934 1.00 24.13 H new ATOM 0 HG2 LYS A 11 -3.019 8.302 10.596 1.00 13.44 H new ATOM 0 HG3 LYS A 11 -4.100 7.549 9.440 1.00 13.44 H new ATOM 0 HD2 LYS A 11 -4.942 6.656 11.372 1.00 65.31 H new ATOM 0 HD3 LYS A 11 -3.768 5.413 10.987 1.00 65.31 H new ATOM 0 HE2 LYS A 11 -2.107 6.695 12.449 1.00 41.54 H new ATOM 0 HE3 LYS A 11 -3.455 7.687 12.970 1.00 41.54 H new ATOM 0 HZ1 LYS A 11 -3.971 6.128 14.421 1.00 31.01 H new ATOM 0 HZ2 LYS A 11 -4.264 5.026 13.163 1.00 31.01 H new ATOM 0 HZ3 LYS A 11 -2.718 5.130 13.857 1.00 31.01 H new ATOM 156 N GLU A 12 -1.131 4.087 7.170 1.00 23.15 N ATOM 157 CA GLU A 12 -0.363 3.584 6.039 1.00 43.42 C ATOM 158 C GLU A 12 -1.020 2.275 5.604 1.00 35.52 C ATOM 159 O GLU A 12 -1.800 1.704 6.360 1.00 0.13 O ATOM 160 CB GLU A 12 1.145 3.470 6.377 1.00 52.30 C ATOM 161 CG GLU A 12 1.619 2.239 7.136 1.00 15.35 C ATOM 162 CD GLU A 12 3.112 2.197 7.493 1.00 72.53 C ATOM 163 OE1 GLU A 12 3.827 3.222 7.406 1.00 73.02 O ATOM 164 OE2 GLU A 12 3.585 1.158 8.014 1.00 40.44 O ATOM 0 H GLU A 12 -1.582 3.348 7.709 1.00 23.15 H new ATOM 0 HA GLU A 12 -0.382 4.277 5.198 1.00 43.42 H new ATOM 0 HB2 GLU A 12 1.701 3.519 5.441 1.00 52.30 H new ATOM 0 HB3 GLU A 12 1.423 4.348 6.959 1.00 52.30 H new ATOM 0 HG2 GLU A 12 1.044 2.163 8.059 1.00 15.35 H new ATOM 0 HG3 GLU A 12 1.384 1.357 6.540 1.00 15.35 H new ATOM 171 N ILE A 13 -0.717 1.773 4.417 1.00 3.34 N ATOM 172 CA ILE A 13 -1.025 0.396 4.042 1.00 1.20 C ATOM 173 C ILE A 13 0.299 -0.335 3.857 1.00 32.23 C ATOM 174 O ILE A 13 1.360 0.306 3.844 1.00 44.32 O ATOM 175 CB ILE A 13 -1.908 0.349 2.784 1.00 31.41 C ATOM 176 CG1 ILE A 13 -1.173 1.009 1.605 1.00 43.23 C ATOM 177 CG2 ILE A 13 -3.283 0.983 3.041 1.00 64.04 C ATOM 178 CD1 ILE A 13 -1.613 0.437 0.273 1.00 45.44 C ATOM 0 H ILE A 13 -0.250 2.307 3.684 1.00 3.34 H new ATOM 0 HA ILE A 13 -1.603 -0.099 4.822 1.00 1.20 H new ATOM 0 HB ILE A 13 -2.095 -0.693 2.523 1.00 31.41 H new ATOM 0 HG12 ILE A 13 -1.358 2.083 1.618 1.00 43.23 H new ATOM 0 HG13 ILE A 13 -0.098 0.869 1.723 1.00 43.23 H new ATOM 0 HG21 ILE A 13 -3.882 0.933 2.132 1.00 64.04 H new ATOM 0 HG22 ILE A 13 -3.790 0.441 3.840 1.00 64.04 H new ATOM 0 HG23 ILE A 13 -3.154 2.025 3.334 1.00 64.04 H new ATOM 0 HD11 ILE A 13 -1.069 0.931 -0.532 1.00 45.44 H new ATOM 0 HD12 ILE A 13 -1.404 -0.632 0.249 1.00 45.44 H new ATOM 0 HD13 ILE A 13 -2.683 0.600 0.142 1.00 45.44 H new ATOM 190 N ILE A 14 0.255 -1.656 3.687 1.00 12.30 N ATOM 191 CA ILE A 14 1.456 -2.456 3.554 1.00 11.42 C ATOM 192 C ILE A 14 1.202 -3.502 2.479 1.00 53.05 C ATOM 193 O ILE A 14 0.480 -4.470 2.690 1.00 12.44 O ATOM 194 CB ILE A 14 1.874 -3.040 4.930 1.00 23.33 C ATOM 195 CG1 ILE A 14 2.185 -1.914 5.950 1.00 74.30 C ATOM 196 CG2 ILE A 14 3.072 -3.994 4.773 1.00 21.24 C ATOM 197 CD1 ILE A 14 2.633 -2.386 7.335 1.00 31.41 C ATOM 0 H ILE A 14 -0.612 -2.192 3.639 1.00 12.30 H new ATOM 0 HA ILE A 14 2.308 -1.856 3.235 1.00 11.42 H new ATOM 0 HB ILE A 14 1.033 -3.612 5.322 1.00 23.33 H new ATOM 0 HG12 ILE A 14 2.964 -1.275 5.533 1.00 74.30 H new ATOM 0 HG13 ILE A 14 1.294 -1.297 6.066 1.00 74.30 H new ATOM 0 HG21 ILE A 14 3.350 -4.393 5.749 1.00 21.24 H new ATOM 0 HG22 ILE A 14 2.799 -4.815 4.110 1.00 21.24 H new ATOM 0 HG23 ILE A 14 3.917 -3.451 4.349 1.00 21.24 H new ATOM 0 HD11 ILE A 14 2.824 -1.521 7.970 1.00 31.41 H new ATOM 0 HD12 ILE A 14 1.849 -2.998 7.782 1.00 31.41 H new ATOM 0 HD13 ILE A 14 3.545 -2.976 7.241 1.00 31.41 H new ATOM 209 N ILE A 15 1.796 -3.319 1.305 1.00 44.43 N ATOM 210 CA ILE A 15 1.731 -4.325 0.259 1.00 15.30 C ATOM 211 C ILE A 15 2.717 -5.431 0.658 1.00 2.02 C ATOM 212 O ILE A 15 3.931 -5.192 0.712 1.00 65.05 O ATOM 213 CB ILE A 15 2.024 -3.704 -1.122 1.00 4.23 C ATOM 214 CG1 ILE A 15 1.302 -2.364 -1.398 1.00 52.12 C ATOM 215 CG2 ILE A 15 1.724 -4.757 -2.205 1.00 20.41 C ATOM 216 CD1 ILE A 15 -0.216 -2.376 -1.273 1.00 32.22 C ATOM 0 H ILE A 15 2.326 -2.484 1.057 1.00 44.43 H new ATOM 0 HA ILE A 15 0.732 -4.751 0.163 1.00 15.30 H new ATOM 0 HB ILE A 15 3.079 -3.431 -1.139 1.00 4.23 H new ATOM 0 HG12 ILE A 15 1.696 -1.615 -0.710 1.00 52.12 H new ATOM 0 HG13 ILE A 15 1.560 -2.038 -2.406 1.00 52.12 H new ATOM 0 HG21 ILE A 15 1.926 -4.334 -3.189 1.00 20.41 H new ATOM 0 HG22 ILE A 15 2.357 -5.631 -2.048 1.00 20.41 H new ATOM 0 HG23 ILE A 15 0.677 -5.052 -2.145 1.00 20.41 H new ATOM 0 HD11 ILE A 15 -0.607 -1.382 -1.489 1.00 32.22 H new ATOM 0 HD12 ILE A 15 -0.634 -3.092 -1.981 1.00 32.22 H new ATOM 0 HD13 ILE A 15 -0.495 -2.663 -0.259 1.00 32.22 H new ATOM 228 N GLN A 16 2.223 -6.622 1.007 1.00 61.51 N ATOM 229 CA GLN A 16 3.066 -7.763 1.317 1.00 54.24 C ATOM 230 C GLN A 16 3.902 -8.177 0.099 1.00 3.21 C ATOM 231 O GLN A 16 3.539 -7.943 -1.050 1.00 20.53 O ATOM 232 CB GLN A 16 2.202 -8.938 1.828 1.00 63.15 C ATOM 233 CG GLN A 16 3.038 -9.923 2.669 1.00 12.12 C ATOM 234 CD GLN A 16 2.313 -10.519 3.881 1.00 63.44 C ATOM 235 OE1 GLN A 16 1.151 -10.892 3.797 1.00 54.31 O ATOM 236 NE2 GLN A 16 3.000 -10.585 5.017 1.00 12.43 N ATOM 0 H GLN A 16 1.224 -6.815 1.081 1.00 61.51 H new ATOM 0 HA GLN A 16 3.760 -7.478 2.107 1.00 54.24 H new ATOM 0 HB2 GLN A 16 1.378 -8.552 2.428 1.00 63.15 H new ATOM 0 HB3 GLN A 16 1.761 -9.463 0.981 1.00 63.15 H new ATOM 0 HG2 GLN A 16 3.367 -10.738 2.025 1.00 12.12 H new ATOM 0 HG3 GLN A 16 3.934 -9.410 3.017 1.00 12.12 H new ATOM 0 HE21 GLN A 16 3.968 -10.264 5.047 1.00 12.43 H new ATOM 0 HE22 GLN A 16 2.560 -10.957 5.859 1.00 12.43 H new ATOM 245 N GLY A 17 5.022 -8.861 0.346 1.00 60.12 N ATOM 246 CA GLY A 17 5.856 -9.468 -0.691 1.00 63.33 C ATOM 247 C GLY A 17 5.439 -10.903 -1.027 1.00 62.14 C ATOM 248 O GLY A 17 6.212 -11.619 -1.666 1.00 24.55 O ATOM 0 H GLY A 17 5.380 -9.010 1.289 1.00 60.12 H new ATOM 0 HA2 GLY A 17 5.805 -8.859 -1.594 1.00 63.33 H new ATOM 0 HA3 GLY A 17 6.895 -9.464 -0.363 1.00 63.33 H new ATOM 252 N LEU A 18 4.264 -11.347 -0.571 1.00 50.14 N ATOM 253 CA LEU A 18 3.640 -12.621 -0.916 1.00 32.13 C ATOM 254 C LEU A 18 2.508 -12.331 -1.884 1.00 61.11 C ATOM 255 O LEU A 18 1.879 -11.274 -1.801 1.00 31.35 O ATOM 256 CB LEU A 18 3.057 -13.309 0.332 1.00 44.20 C ATOM 257 CG LEU A 18 3.966 -14.350 1.000 1.00 20.12 C ATOM 258 CD1 LEU A 18 5.367 -13.821 1.304 1.00 20.01 C ATOM 259 CD2 LEU A 18 3.313 -14.772 2.316 1.00 65.42 C ATOM 0 H LEU A 18 3.699 -10.800 0.078 1.00 50.14 H new ATOM 0 HA LEU A 18 4.387 -13.282 -1.354 1.00 32.13 H new ATOM 0 HB2 LEU A 18 2.812 -12.542 1.067 1.00 44.20 H new ATOM 0 HB3 LEU A 18 2.122 -13.795 0.054 1.00 44.20 H new ATOM 0 HG LEU A 18 4.080 -15.182 0.305 1.00 20.12 H new ATOM 0 HD11 LEU A 18 5.958 -14.606 1.775 1.00 20.01 H new ATOM 0 HD12 LEU A 18 5.848 -13.512 0.376 1.00 20.01 H new ATOM 0 HD13 LEU A 18 5.295 -12.967 1.978 1.00 20.01 H new ATOM 0 HD21 LEU A 18 3.940 -15.513 2.812 1.00 65.42 H new ATOM 0 HD22 LEU A 18 3.200 -13.901 2.962 1.00 65.42 H new ATOM 0 HD23 LEU A 18 2.333 -15.203 2.114 1.00 65.42 H new ATOM 271 N THR A 19 2.230 -13.287 -2.764 1.00 34.25 N ATOM 272 CA THR A 19 1.063 -13.240 -3.627 1.00 34.40 C ATOM 273 C THR A 19 -0.153 -13.771 -2.863 1.00 75.03 C ATOM 274 O THR A 19 -0.018 -14.295 -1.751 1.00 31.20 O ATOM 275 CB THR A 19 1.340 -13.999 -4.939 1.00 41.30 C ATOM 276 OG1 THR A 19 1.471 -15.398 -4.763 1.00 12.45 O ATOM 277 CG2 THR A 19 2.631 -13.518 -5.610 1.00 13.20 C ATOM 0 H THR A 19 2.810 -14.115 -2.896 1.00 34.25 H new ATOM 0 HA THR A 19 0.840 -12.212 -3.912 1.00 34.40 H new ATOM 0 HB THR A 19 0.469 -13.790 -5.560 1.00 41.30 H new ATOM 0 HG1 THR A 19 1.644 -15.822 -5.630 1.00 12.45 H new ATOM 0 HG21 THR A 19 2.792 -14.077 -6.532 1.00 13.20 H new ATOM 0 HG22 THR A 19 2.548 -12.456 -5.839 1.00 13.20 H new ATOM 0 HG23 THR A 19 3.473 -13.679 -4.937 1.00 13.20 H new ATOM 285 N ARG A 20 -1.333 -13.743 -3.495 1.00 55.32 N ATOM 286 CA ARG A 20 -2.543 -14.368 -2.951 1.00 34.33 C ATOM 287 C ARG A 20 -2.336 -15.831 -2.543 1.00 3.02 C ATOM 288 O ARG A 20 -2.993 -16.362 -1.655 1.00 21.23 O ATOM 289 CB ARG A 20 -3.710 -14.237 -3.946 1.00 24.11 C ATOM 290 CG ARG A 20 -3.793 -15.218 -5.137 1.00 64.34 C ATOM 291 CD ARG A 20 -3.584 -14.543 -6.492 1.00 2.22 C ATOM 292 NE ARG A 20 -3.896 -15.440 -7.625 1.00 44.43 N ATOM 293 CZ ARG A 20 -5.114 -15.672 -8.141 1.00 55.02 C ATOM 294 NH1 ARG A 20 -6.204 -15.143 -7.592 1.00 62.43 N ATOM 295 NH2 ARG A 20 -5.244 -16.454 -9.210 1.00 4.32 N ATOM 0 H ARG A 20 -1.475 -13.287 -4.396 1.00 55.32 H new ATOM 0 HA ARG A 20 -2.789 -13.828 -2.036 1.00 34.33 H new ATOM 0 HB2 ARG A 20 -4.637 -14.328 -3.380 1.00 24.11 H new ATOM 0 HB3 ARG A 20 -3.683 -13.226 -4.353 1.00 24.11 H new ATOM 0 HG2 ARG A 20 -3.043 -15.999 -5.008 1.00 64.34 H new ATOM 0 HG3 ARG A 20 -4.767 -15.707 -5.129 1.00 64.34 H new ATOM 0 HD2 ARG A 20 -4.212 -13.654 -6.552 1.00 2.22 H new ATOM 0 HD3 ARG A 20 -2.550 -14.208 -6.572 1.00 2.22 H new ATOM 0 HE ARG A 20 -3.112 -15.929 -8.056 1.00 44.43 H new ATOM 0 HH11 ARG A 20 -6.123 -14.550 -6.766 1.00 62.43 H new ATOM 0 HH12 ARG A 20 -7.121 -15.330 -7.997 1.00 62.43 H new ATOM 0 HH21 ARG A 20 -4.419 -16.876 -9.636 1.00 4.32 H new ATOM 0 HH22 ARG A 20 -6.168 -16.631 -9.603 1.00 4.32 H new ATOM 309 N ALA A 21 -1.399 -16.487 -3.225 1.00 50.11 N ATOM 310 CA ALA A 21 -1.071 -17.891 -3.069 1.00 2.10 C ATOM 311 C ALA A 21 -0.182 -18.155 -1.845 1.00 10.31 C ATOM 312 O ALA A 21 0.208 -19.299 -1.611 1.00 33.34 O ATOM 313 CB ALA A 21 -0.380 -18.372 -4.351 1.00 11.30 C ATOM 0 H ALA A 21 -0.825 -16.027 -3.932 1.00 50.11 H new ATOM 0 HA ALA A 21 -1.994 -18.446 -2.901 1.00 2.10 H new ATOM 0 HB1 ALA A 21 -0.125 -19.427 -4.253 1.00 11.30 H new ATOM 0 HB2 ALA A 21 -1.052 -18.238 -5.199 1.00 11.30 H new ATOM 0 HB3 ALA A 21 0.529 -17.793 -4.514 1.00 11.30 H new ATOM 319 N GLY A 22 0.217 -17.111 -1.113 1.00 23.41 N ATOM 320 CA GLY A 22 1.129 -17.212 0.018 1.00 74.24 C ATOM 321 C GLY A 22 2.552 -17.609 -0.387 1.00 72.40 C ATOM 322 O GLY A 22 3.368 -17.952 0.466 1.00 33.33 O ATOM 0 H GLY A 22 -0.093 -16.157 -1.297 1.00 23.41 H new ATOM 0 HA2 GLY A 22 1.160 -16.254 0.538 1.00 74.24 H new ATOM 0 HA3 GLY A 22 0.741 -17.946 0.725 1.00 74.24 H new ATOM 326 N LYS A 23 2.881 -17.564 -1.681 1.00 64.33 N ATOM 327 CA LYS A 23 4.239 -17.735 -2.180 1.00 24.33 C ATOM 328 C LYS A 23 4.901 -16.361 -2.237 1.00 41.32 C ATOM 329 O LYS A 23 4.223 -15.402 -2.619 1.00 62.43 O ATOM 330 CB LYS A 23 4.203 -18.317 -3.597 1.00 53.20 C ATOM 331 CG LYS A 23 4.093 -19.845 -3.663 1.00 74.22 C ATOM 332 CD LYS A 23 2.724 -20.420 -3.271 1.00 15.31 C ATOM 333 CE LYS A 23 2.683 -21.881 -3.725 1.00 21.13 C ATOM 334 NZ LYS A 23 1.421 -22.591 -3.422 1.00 4.23 N ATOM 0 H LYS A 23 2.196 -17.405 -2.420 1.00 64.33 H new ATOM 0 HA LYS A 23 4.791 -18.409 -1.525 1.00 24.33 H new ATOM 0 HB2 LYS A 23 3.358 -17.883 -4.131 1.00 53.20 H new ATOM 0 HB3 LYS A 23 5.106 -18.009 -4.124 1.00 53.20 H new ATOM 0 HG2 LYS A 23 4.327 -20.167 -4.678 1.00 74.22 H new ATOM 0 HG3 LYS A 23 4.851 -20.276 -3.009 1.00 74.22 H new ATOM 0 HD2 LYS A 23 2.575 -20.350 -2.194 1.00 15.31 H new ATOM 0 HD3 LYS A 23 1.922 -19.851 -3.741 1.00 15.31 H new ATOM 0 HE2 LYS A 23 2.854 -21.917 -4.801 1.00 21.13 H new ATOM 0 HE3 LYS A 23 3.507 -22.416 -3.253 1.00 21.13 H new ATOM 0 HZ1 LYS A 23 1.483 -23.571 -3.764 1.00 4.23 H new ATOM 0 HZ2 LYS A 23 1.262 -22.593 -2.394 1.00 4.23 H new ATOM 0 HZ3 LYS A 23 0.630 -22.109 -3.894 1.00 4.23 H new ATOM 348 N PRO A 24 6.209 -16.245 -1.960 1.00 13.44 N ATOM 349 CA PRO A 24 6.925 -14.983 -2.073 1.00 41.14 C ATOM 350 C PRO A 24 7.114 -14.607 -3.545 1.00 14.13 C ATOM 351 O PRO A 24 7.282 -15.479 -4.409 1.00 2.51 O ATOM 352 CB PRO A 24 8.246 -15.197 -1.330 1.00 21.44 C ATOM 353 CG PRO A 24 8.479 -16.708 -1.403 1.00 43.01 C ATOM 354 CD PRO A 24 7.076 -17.308 -1.484 1.00 41.10 C ATOM 0 HA PRO A 24 6.381 -14.146 -1.635 1.00 41.14 H new ATOM 0 HB2 PRO A 24 9.061 -14.646 -1.800 1.00 21.44 H new ATOM 0 HB3 PRO A 24 8.182 -14.854 -0.297 1.00 21.44 H new ATOM 0 HG2 PRO A 24 9.076 -16.976 -2.275 1.00 43.01 H new ATOM 0 HG3 PRO A 24 9.015 -17.070 -0.526 1.00 43.01 H new ATOM 0 HD2 PRO A 24 7.056 -18.161 -2.163 1.00 41.10 H new ATOM 0 HD3 PRO A 24 6.750 -17.669 -0.509 1.00 41.10 H new ATOM 362 N PHE A 25 7.107 -13.310 -3.845 1.00 13.22 N ATOM 363 CA PHE A 25 7.240 -12.787 -5.196 1.00 43.03 C ATOM 364 C PHE A 25 8.721 -12.634 -5.559 1.00 44.10 C ATOM 365 O PHE A 25 9.568 -12.496 -4.666 1.00 14.45 O ATOM 366 CB PHE A 25 6.489 -11.451 -5.239 1.00 22.01 C ATOM 367 CG PHE A 25 6.350 -10.819 -6.609 1.00 12.41 C ATOM 368 CD1 PHE A 25 5.656 -11.496 -7.631 1.00 54.43 C ATOM 369 CD2 PHE A 25 6.874 -9.534 -6.851 1.00 53.30 C ATOM 370 CE1 PHE A 25 5.517 -10.905 -8.899 1.00 23.24 C ATOM 371 CE2 PHE A 25 6.722 -8.939 -8.114 1.00 51.55 C ATOM 372 CZ PHE A 25 6.064 -9.634 -9.144 1.00 43.01 C ATOM 0 H PHE A 25 7.006 -12.581 -3.139 1.00 13.22 H new ATOM 0 HA PHE A 25 6.812 -13.466 -5.933 1.00 43.03 H new ATOM 0 HB2 PHE A 25 5.492 -11.602 -4.826 1.00 22.01 H new ATOM 0 HB3 PHE A 25 7.001 -10.746 -4.584 1.00 22.01 H new ATOM 0 HD1 PHE A 25 5.230 -12.470 -7.440 1.00 54.43 H new ATOM 0 HD2 PHE A 25 7.393 -9.006 -6.065 1.00 53.30 H new ATOM 0 HE1 PHE A 25 4.990 -11.427 -9.684 1.00 23.24 H new ATOM 0 HE2 PHE A 25 7.111 -7.948 -8.294 1.00 51.55 H new ATOM 0 HZ PHE A 25 5.979 -9.190 -10.125 1.00 43.01 H new ATOM 382 N ARG A 26 9.028 -12.612 -6.862 1.00 62.13 N ATOM 383 CA ARG A 26 10.310 -12.147 -7.386 1.00 14.44 C ATOM 384 C ARG A 26 10.016 -11.007 -8.369 1.00 33.24 C ATOM 385 O ARG A 26 8.986 -11.055 -9.044 1.00 13.43 O ATOM 386 CB ARG A 26 11.126 -13.256 -8.070 1.00 44.42 C ATOM 387 CG ARG A 26 11.683 -14.315 -7.111 1.00 31.23 C ATOM 388 CD ARG A 26 12.862 -13.793 -6.269 1.00 51.52 C ATOM 389 NE ARG A 26 14.112 -14.496 -6.595 1.00 73.42 N ATOM 390 CZ ARG A 26 15.363 -14.054 -6.428 1.00 73.12 C ATOM 391 NH1 ARG A 26 15.621 -12.906 -5.806 1.00 20.13 N ATOM 392 NH2 ARG A 26 16.357 -14.794 -6.894 1.00 71.42 N ATOM 0 H ARG A 26 8.382 -12.921 -7.588 1.00 62.13 H new ATOM 0 HA ARG A 26 10.926 -11.808 -6.554 1.00 14.44 H new ATOM 0 HB2 ARG A 26 10.497 -13.749 -8.811 1.00 44.42 H new ATOM 0 HB3 ARG A 26 11.956 -12.800 -8.610 1.00 44.42 H new ATOM 0 HG2 ARG A 26 10.888 -14.651 -6.446 1.00 31.23 H new ATOM 0 HG3 ARG A 26 12.008 -15.183 -7.684 1.00 31.23 H new ATOM 0 HD2 ARG A 26 12.989 -12.724 -6.442 1.00 51.52 H new ATOM 0 HD3 ARG A 26 12.638 -13.920 -5.210 1.00 51.52 H new ATOM 0 HE ARG A 26 14.013 -15.429 -6.995 1.00 73.42 H new ATOM 0 HH11 ARG A 26 14.855 -12.339 -5.443 1.00 20.13 H new ATOM 0 HH12 ARG A 26 16.585 -12.593 -5.693 1.00 20.13 H new ATOM 0 HH21 ARG A 26 16.158 -15.676 -7.366 1.00 71.42 H new ATOM 0 HH22 ARG A 26 17.322 -14.482 -6.781 1.00 71.42 H new ATOM 406 N PRO A 27 10.909 -10.021 -8.523 1.00 1.34 N ATOM 407 CA PRO A 27 12.196 -9.945 -7.857 1.00 65.20 C ATOM 408 C PRO A 27 11.979 -9.685 -6.369 1.00 40.14 C ATOM 409 O PRO A 27 10.892 -9.283 -5.963 1.00 71.12 O ATOM 410 CB PRO A 27 12.925 -8.781 -8.538 1.00 35.14 C ATOM 411 CG PRO A 27 11.782 -7.847 -8.931 1.00 52.33 C ATOM 412 CD PRO A 27 10.660 -8.818 -9.293 1.00 3.23 C ATOM 0 HA PRO A 27 12.776 -10.865 -7.932 1.00 65.20 H new ATOM 0 HB2 PRO A 27 13.630 -8.295 -7.863 1.00 35.14 H new ATOM 0 HB3 PRO A 27 13.493 -9.113 -9.407 1.00 35.14 H new ATOM 0 HG2 PRO A 27 11.498 -7.188 -8.110 1.00 52.33 H new ATOM 0 HG3 PRO A 27 12.052 -7.209 -9.773 1.00 52.33 H new ATOM 0 HD2 PRO A 27 9.685 -8.395 -9.052 1.00 3.23 H new ATOM 0 HD3 PRO A 27 10.659 -9.032 -10.362 1.00 3.23 H new ATOM 420 N SER A 28 12.976 -9.944 -5.527 1.00 50.23 N ATOM 421 CA SER A 28 12.898 -9.512 -4.134 1.00 21.14 C ATOM 422 C SER A 28 12.828 -7.984 -4.088 1.00 55.11 C ATOM 423 O SER A 28 12.030 -7.408 -3.355 1.00 10.31 O ATOM 424 CB SER A 28 14.098 -10.056 -3.349 1.00 43.42 C ATOM 425 OG SER A 28 15.239 -10.251 -4.182 1.00 34.11 O ATOM 0 H SER A 28 13.831 -10.441 -5.777 1.00 50.23 H new ATOM 0 HA SER A 28 11.998 -9.909 -3.665 1.00 21.14 H new ATOM 0 HB2 SER A 28 14.350 -9.363 -2.546 1.00 43.42 H new ATOM 0 HB3 SER A 28 13.826 -11.002 -2.880 1.00 43.42 H new ATOM 0 HG SER A 28 15.461 -9.411 -4.635 1.00 34.11 H new ATOM 431 N ASP A 29 13.610 -7.378 -4.975 1.00 20.42 N ATOM 432 CA ASP A 29 14.010 -5.989 -5.131 1.00 71.13 C ATOM 433 C ASP A 29 12.883 -5.129 -5.708 1.00 34.01 C ATOM 434 O ASP A 29 13.091 -3.979 -6.105 1.00 32.13 O ATOM 435 CB ASP A 29 15.243 -5.967 -6.056 1.00 74.30 C ATOM 436 CG ASP A 29 16.436 -6.762 -5.496 1.00 34.22 C ATOM 437 OD1 ASP A 29 16.262 -7.950 -5.122 1.00 20.11 O ATOM 438 OD2 ASP A 29 17.564 -6.228 -5.420 1.00 33.25 O ATOM 0 H ASP A 29 14.040 -7.940 -5.710 1.00 20.42 H new ATOM 0 HA ASP A 29 14.247 -5.564 -4.156 1.00 71.13 H new ATOM 0 HB2 ASP A 29 14.967 -6.375 -7.028 1.00 74.30 H new ATOM 0 HB3 ASP A 29 15.548 -4.933 -6.219 1.00 74.30 H new ATOM 443 N TRP A 30 11.668 -5.677 -5.781 1.00 22.23 N ATOM 444 CA TRP A 30 10.483 -4.954 -6.216 1.00 22.32 C ATOM 445 C TRP A 30 10.221 -3.742 -5.311 1.00 34.05 C ATOM 446 O TRP A 30 9.636 -2.750 -5.741 1.00 22.23 O ATOM 447 CB TRP A 30 9.287 -5.925 -6.246 1.00 12.04 C ATOM 448 CG TRP A 30 8.671 -6.304 -4.923 1.00 43.43 C ATOM 449 CD1 TRP A 30 8.931 -7.405 -4.178 1.00 24.22 C ATOM 450 CD2 TRP A 30 7.658 -5.570 -4.174 1.00 63.04 C ATOM 451 NE1 TRP A 30 8.181 -7.379 -3.023 1.00 13.20 N ATOM 452 CE2 TRP A 30 7.265 -6.351 -3.051 1.00 74.22 C ATOM 453 CE3 TRP A 30 7.037 -4.316 -4.325 1.00 2.22 C ATOM 454 CZ2 TRP A 30 6.233 -5.959 -2.183 1.00 53.21 C ATOM 455 CZ3 TRP A 30 6.042 -3.887 -3.434 1.00 51.34 C ATOM 456 CH2 TRP A 30 5.621 -4.718 -2.386 1.00 64.34 C ATOM 0 H TRP A 30 11.483 -6.649 -5.535 1.00 22.23 H new ATOM 0 HA TRP A 30 10.636 -4.563 -7.222 1.00 22.32 H new ATOM 0 HB2 TRP A 30 8.508 -5.482 -6.866 1.00 12.04 H new ATOM 0 HB3 TRP A 30 9.608 -6.840 -6.743 1.00 12.04 H new ATOM 0 HD1 TRP A 30 9.624 -8.188 -4.450 1.00 24.22 H new ATOM 0 HE1 TRP A 30 8.290 -8.035 -2.249 1.00 13.20 H new ATOM 0 HE3 TRP A 30 7.332 -3.673 -5.141 1.00 2.22 H new ATOM 0 HZ2 TRP A 30 5.918 -6.603 -1.375 1.00 53.21 H new ATOM 0 HZ3 TRP A 30 5.597 -2.910 -3.556 1.00 51.34 H new ATOM 0 HH2 TRP A 30 4.822 -4.399 -1.734 1.00 64.34 H new ATOM 467 N VAL A 31 10.675 -3.806 -4.061 1.00 34.43 N ATOM 468 CA VAL A 31 10.567 -2.747 -3.074 1.00 63.11 C ATOM 469 C VAL A 31 11.386 -1.530 -3.504 1.00 23.22 C ATOM 470 O VAL A 31 10.878 -0.406 -3.478 1.00 24.41 O ATOM 471 CB VAL A 31 11.027 -3.326 -1.726 1.00 11.24 C ATOM 472 CG1 VAL A 31 11.184 -2.259 -0.637 1.00 3.03 C ATOM 473 CG2 VAL A 31 10.038 -4.410 -1.283 1.00 51.00 C ATOM 0 H VAL A 31 11.147 -4.634 -3.698 1.00 34.43 H new ATOM 0 HA VAL A 31 9.539 -2.397 -2.979 1.00 63.11 H new ATOM 0 HB VAL A 31 12.018 -3.756 -1.871 1.00 11.24 H new ATOM 0 HG11 VAL A 31 11.511 -2.730 0.290 1.00 3.03 H new ATOM 0 HG12 VAL A 31 11.926 -1.525 -0.951 1.00 3.03 H new ATOM 0 HG13 VAL A 31 10.228 -1.762 -0.474 1.00 3.03 H new ATOM 0 HG21 VAL A 31 10.358 -4.826 -0.327 1.00 51.00 H new ATOM 0 HG22 VAL A 31 9.045 -3.974 -1.175 1.00 51.00 H new ATOM 0 HG23 VAL A 31 10.007 -5.202 -2.031 1.00 51.00 H new ATOM 483 N ASP A 32 12.634 -1.746 -3.918 1.00 45.12 N ATOM 484 CA ASP A 32 13.547 -0.673 -4.300 1.00 32.35 C ATOM 485 C ASP A 32 12.952 0.081 -5.475 1.00 61.15 C ATOM 486 O ASP A 32 12.871 1.308 -5.462 1.00 52.24 O ATOM 487 CB ASP A 32 14.904 -1.220 -4.757 1.00 72.54 C ATOM 488 CG ASP A 32 15.799 -1.805 -3.675 1.00 62.02 C ATOM 489 OD1 ASP A 32 15.344 -1.986 -2.520 1.00 61.01 O ATOM 490 OD2 ASP A 32 16.950 -2.129 -4.025 1.00 13.13 O ATOM 0 H ASP A 32 13.041 -2.678 -3.998 1.00 45.12 H new ATOM 0 HA ASP A 32 13.689 -0.034 -3.429 1.00 32.35 H new ATOM 0 HB2 ASP A 32 14.726 -1.991 -5.506 1.00 72.54 H new ATOM 0 HB3 ASP A 32 15.448 -0.415 -5.251 1.00 72.54 H new ATOM 495 N ARG A 33 12.496 -0.667 -6.483 1.00 12.44 N ATOM 496 CA ARG A 33 12.022 -0.082 -7.734 1.00 71.14 C ATOM 497 C ARG A 33 10.855 0.856 -7.492 1.00 5.12 C ATOM 498 O ARG A 33 10.739 1.935 -8.072 1.00 64.02 O ATOM 499 CB ARG A 33 11.772 -1.160 -8.769 1.00 74.14 C ATOM 500 CG ARG A 33 10.487 -1.961 -8.711 1.00 1.24 C ATOM 501 CD ARG A 33 9.627 -1.882 -9.977 1.00 40.12 C ATOM 502 NE ARG A 33 9.162 -0.504 -10.241 1.00 63.12 N ATOM 503 CZ ARG A 33 7.977 -0.139 -10.748 1.00 50.44 C ATOM 504 NH1 ARG A 33 7.095 -1.045 -11.165 1.00 65.22 N ATOM 505 NH2 ARG A 33 7.666 1.150 -10.809 1.00 33.42 N ATOM 0 H ARG A 33 12.446 -1.685 -6.454 1.00 12.44 H new ATOM 0 HA ARG A 33 12.802 0.549 -8.160 1.00 71.14 H new ATOM 0 HB2 ARG A 33 11.820 -0.689 -9.751 1.00 74.14 H new ATOM 0 HB3 ARG A 33 12.601 -1.866 -8.713 1.00 74.14 H new ATOM 0 HG2 ARG A 33 10.734 -3.005 -8.520 1.00 1.24 H new ATOM 0 HG3 ARG A 33 9.896 -1.613 -7.864 1.00 1.24 H new ATOM 0 HD2 ARG A 33 10.203 -2.241 -10.830 1.00 40.12 H new ATOM 0 HD3 ARG A 33 8.766 -2.542 -9.873 1.00 40.12 H new ATOM 0 HE ARG A 33 9.812 0.248 -10.013 1.00 63.12 H new ATOM 0 HH11 ARG A 33 7.316 -2.039 -11.102 1.00 65.22 H new ATOM 0 HH12 ARG A 33 6.198 -0.745 -11.548 1.00 65.22 H new ATOM 0 HH21 ARG A 33 8.326 1.850 -10.472 1.00 33.42 H new ATOM 0 HH22 ARG A 33 6.767 1.440 -11.193 1.00 33.42 H new ATOM 519 N MET A 34 9.992 0.421 -6.592 1.00 30.12 N ATOM 520 CA MET A 34 8.850 1.159 -6.112 1.00 45.24 C ATOM 521 C MET A 34 9.288 2.405 -5.363 1.00 4.11 C ATOM 522 O MET A 34 8.817 3.491 -5.693 1.00 3.33 O ATOM 523 CB MET A 34 8.011 0.234 -5.240 1.00 31.34 C ATOM 524 CG MET A 34 6.924 -0.389 -6.100 1.00 34.11 C ATOM 525 SD MET A 34 5.523 0.746 -6.226 1.00 74.34 S ATOM 526 CE MET A 34 4.742 0.309 -4.655 1.00 63.23 C ATOM 0 H MET A 34 10.077 -0.499 -6.159 1.00 30.12 H new ATOM 0 HA MET A 34 8.244 1.501 -6.951 1.00 45.24 H new ATOM 0 HB2 MET A 34 8.637 -0.542 -4.800 1.00 31.34 H new ATOM 0 HB3 MET A 34 7.568 0.791 -4.415 1.00 31.34 H new ATOM 0 HG2 MET A 34 7.315 -0.611 -7.093 1.00 34.11 H new ATOM 0 HG3 MET A 34 6.600 -1.335 -5.666 1.00 34.11 H new ATOM 0 HE1 MET A 34 3.678 0.135 -4.814 1.00 63.23 H new ATOM 0 HE2 MET A 34 5.202 -0.596 -4.259 1.00 63.23 H new ATOM 0 HE3 MET A 34 4.874 1.124 -3.944 1.00 63.23 H new ATOM 536 N CYS A 35 10.191 2.301 -4.382 1.00 71.12 N ATOM 537 CA CYS A 35 10.606 3.496 -3.659 1.00 10.30 C ATOM 538 C CYS A 35 11.252 4.520 -4.605 1.00 63.41 C ATOM 539 O CYS A 35 10.974 5.711 -4.474 1.00 74.40 O ATOM 540 CB CYS A 35 11.422 3.154 -2.405 1.00 23.31 C ATOM 541 SG CYS A 35 13.117 2.612 -2.702 1.00 43.13 S ATOM 0 H CYS A 35 10.632 1.432 -4.082 1.00 71.12 H new ATOM 0 HA CYS A 35 9.720 3.996 -3.268 1.00 10.30 H new ATOM 0 HB2 CYS A 35 11.448 4.032 -1.760 1.00 23.31 H new ATOM 0 HB3 CYS A 35 10.900 2.370 -1.856 1.00 23.31 H new ATOM 0 HG CYS A 35 13.883 3.650 -2.858 1.00 43.13 H new ATOM 547 N SER A 36 12.010 4.065 -5.606 1.00 51.24 N ATOM 548 CA SER A 36 12.598 4.889 -6.659 1.00 43.54 C ATOM 549 C SER A 36 11.543 5.579 -7.547 1.00 43.31 C ATOM 550 O SER A 36 11.782 6.674 -8.060 1.00 2.20 O ATOM 551 CB SER A 36 13.539 4.012 -7.493 1.00 32.13 C ATOM 552 OG SER A 36 14.655 4.754 -7.938 1.00 23.23 O ATOM 0 H SER A 36 12.238 3.076 -5.707 1.00 51.24 H new ATOM 0 HA SER A 36 13.155 5.700 -6.189 1.00 43.54 H new ATOM 0 HB2 SER A 36 13.875 3.163 -6.897 1.00 32.13 H new ATOM 0 HB3 SER A 36 13.001 3.607 -8.350 1.00 32.13 H new ATOM 0 HG SER A 36 15.243 4.175 -8.467 1.00 23.23 H new ATOM 558 N THR A 37 10.362 4.984 -7.711 1.00 54.52 N ATOM 559 CA THR A 37 9.271 5.518 -8.527 1.00 22.15 C ATOM 560 C THR A 37 8.601 6.721 -7.844 1.00 72.33 C ATOM 561 O THR A 37 7.943 7.520 -8.513 1.00 33.20 O ATOM 562 CB THR A 37 8.300 4.362 -8.835 1.00 2.53 C ATOM 563 OG1 THR A 37 9.005 3.352 -9.547 1.00 11.53 O ATOM 564 CG2 THR A 37 7.080 4.764 -9.663 1.00 74.54 C ATOM 0 H THR A 37 10.131 4.094 -7.269 1.00 54.52 H new ATOM 0 HA THR A 37 9.648 5.910 -9.472 1.00 22.15 H new ATOM 0 HB THR A 37 7.926 4.015 -7.872 1.00 2.53 H new ATOM 0 HG1 THR A 37 9.518 2.804 -8.916 1.00 11.53 H new ATOM 0 HG21 THR A 37 6.451 3.890 -9.833 1.00 74.54 H new ATOM 0 HG22 THR A 37 6.510 5.522 -9.126 1.00 74.54 H new ATOM 0 HG23 THR A 37 7.407 5.167 -10.621 1.00 74.54 H new ATOM 572 N TYR A 38 8.835 6.907 -6.542 1.00 43.12 N ATOM 573 CA TYR A 38 8.374 8.050 -5.769 1.00 74.21 C ATOM 574 C TYR A 38 9.598 8.693 -5.123 1.00 0.22 C ATOM 575 O TYR A 38 9.654 8.877 -3.906 1.00 14.13 O ATOM 576 CB TYR A 38 7.295 7.599 -4.773 1.00 72.43 C ATOM 577 CG TYR A 38 6.095 6.972 -5.454 1.00 64.14 C ATOM 578 CD1 TYR A 38 5.083 7.787 -5.995 1.00 74.33 C ATOM 579 CD2 TYR A 38 6.030 5.575 -5.612 1.00 23.31 C ATOM 580 CE1 TYR A 38 3.999 7.206 -6.677 1.00 22.45 C ATOM 581 CE2 TYR A 38 4.959 4.992 -6.306 1.00 22.23 C ATOM 582 CZ TYR A 38 3.925 5.802 -6.820 1.00 74.22 C ATOM 583 OH TYR A 38 2.856 5.220 -7.434 1.00 4.15 O ATOM 0 H TYR A 38 9.369 6.241 -5.984 1.00 43.12 H new ATOM 0 HA TYR A 38 7.895 8.807 -6.390 1.00 74.21 H new ATOM 0 HB2 TYR A 38 7.727 6.882 -4.075 1.00 72.43 H new ATOM 0 HB3 TYR A 38 6.967 8.457 -4.186 1.00 72.43 H new ATOM 0 HD1 TYR A 38 5.139 8.860 -5.886 1.00 74.33 H new ATOM 0 HD2 TYR A 38 6.807 4.950 -5.198 1.00 23.31 H new ATOM 0 HE1 TYR A 38 3.223 7.833 -7.091 1.00 22.45 H new ATOM 0 HE2 TYR A 38 4.926 3.922 -6.447 1.00 22.23 H new ATOM 0 HH TYR A 38 2.044 5.397 -6.915 1.00 4.15 H new ATOM 593 N ALA A 39 10.621 8.965 -5.935 1.00 11.32 N ATOM 594 CA ALA A 39 11.890 9.530 -5.505 1.00 74.03 C ATOM 595 C ALA A 39 12.321 10.630 -6.464 1.00 62.31 C ATOM 596 O ALA A 39 11.972 10.590 -7.650 1.00 11.21 O ATOM 597 CB ALA A 39 12.927 8.413 -5.504 1.00 22.40 C ATOM 0 H ALA A 39 10.583 8.791 -6.939 1.00 11.32 H new ATOM 0 HA ALA A 39 11.792 9.959 -4.508 1.00 74.03 H new ATOM 0 HB1 ALA A 39 13.890 8.811 -5.185 1.00 22.40 H new ATOM 0 HB2 ALA A 39 12.614 7.626 -4.818 1.00 22.40 H new ATOM 0 HB3 ALA A 39 13.020 8.002 -6.509 1.00 22.40 H new ATOM 603 N SER A 40 13.132 11.564 -5.979 1.00 41.33 N ATOM 604 CA SER A 40 13.657 12.671 -6.765 1.00 20.54 C ATOM 605 C SER A 40 15.126 12.877 -6.449 1.00 24.32 C ATOM 606 O SER A 40 15.577 12.730 -5.308 1.00 10.13 O ATOM 607 CB SER A 40 12.843 13.939 -6.487 1.00 52.14 C ATOM 608 OG SER A 40 12.308 14.429 -7.696 1.00 52.40 O ATOM 0 H SER A 40 13.448 11.571 -5.009 1.00 41.33 H new ATOM 0 HA SER A 40 13.569 12.439 -7.827 1.00 20.54 H new ATOM 0 HB2 SER A 40 12.040 13.721 -5.783 1.00 52.14 H new ATOM 0 HB3 SER A 40 13.476 14.696 -6.024 1.00 52.14 H new ATOM 0 HG SER A 40 11.786 15.239 -7.518 1.00 52.40 H new ATOM 614 N PHE A 41 15.879 13.191 -7.496 1.00 25.53 N ATOM 615 CA PHE A 41 17.291 13.478 -7.393 1.00 4.24 C ATOM 616 C PHE A 41 17.442 14.902 -6.872 1.00 23.11 C ATOM 617 O PHE A 41 16.658 15.787 -7.230 1.00 53.33 O ATOM 618 CB PHE A 41 17.958 13.277 -8.758 1.00 34.32 C ATOM 619 CG PHE A 41 17.953 11.826 -9.213 1.00 51.12 C ATOM 620 CD1 PHE A 41 16.789 11.241 -9.754 1.00 42.41 C ATOM 621 CD2 PHE A 41 19.094 11.029 -9.017 1.00 52.30 C ATOM 622 CE1 PHE A 41 16.767 9.872 -10.065 1.00 23.04 C ATOM 623 CE2 PHE A 41 19.082 9.668 -9.360 1.00 52.21 C ATOM 624 CZ PHE A 41 17.911 9.084 -9.866 1.00 75.11 C ATOM 0 H PHE A 41 15.516 13.252 -8.447 1.00 25.53 H new ATOM 0 HA PHE A 41 17.787 12.801 -6.698 1.00 4.24 H new ATOM 0 HB2 PHE A 41 17.444 13.887 -9.501 1.00 34.32 H new ATOM 0 HB3 PHE A 41 18.987 13.633 -8.710 1.00 34.32 H new ATOM 0 HD1 PHE A 41 15.913 11.848 -9.929 1.00 42.41 H new ATOM 0 HD2 PHE A 41 19.988 11.468 -8.599 1.00 52.30 H new ATOM 0 HE1 PHE A 41 15.867 9.424 -10.459 1.00 23.04 H new ATOM 0 HE2 PHE A 41 19.973 9.071 -9.235 1.00 52.21 H new ATOM 0 HZ PHE A 41 17.890 8.030 -10.102 1.00 75.11 H new ATOM 634 N GLY A 42 18.439 15.119 -6.019 1.00 25.42 N ATOM 635 CA GLY A 42 18.795 16.448 -5.545 1.00 34.53 C ATOM 636 C GLY A 42 19.711 17.124 -6.560 1.00 22.21 C ATOM 637 O GLY A 42 19.807 16.685 -7.709 1.00 14.32 O ATOM 0 H GLY A 42 19.023 14.375 -5.637 1.00 25.42 H new ATOM 0 HA2 GLY A 42 17.895 17.046 -5.397 1.00 34.53 H new ATOM 0 HA3 GLY A 42 19.294 16.379 -4.579 1.00 34.53 H new ATOM 641 N ALA A 43 20.404 18.194 -6.164 1.00 34.31 N ATOM 642 CA ALA A 43 21.355 18.870 -7.045 1.00 44.10 C ATOM 643 C ALA A 43 22.597 18.014 -7.344 1.00 4.44 C ATOM 644 O ALA A 43 23.373 18.346 -8.238 1.00 43.01 O ATOM 645 CB ALA A 43 21.785 20.188 -6.397 1.00 63.40 C ATOM 0 H ALA A 43 20.323 18.611 -5.236 1.00 34.31 H new ATOM 0 HA ALA A 43 20.854 19.050 -7.996 1.00 44.10 H new ATOM 0 HB1 ALA A 43 22.495 20.699 -7.048 1.00 63.40 H new ATOM 0 HB2 ALA A 43 20.911 20.821 -6.245 1.00 63.40 H new ATOM 0 HB3 ALA A 43 22.256 19.984 -5.436 1.00 63.40 H new ATOM 651 N ASP A 44 22.806 16.924 -6.605 1.00 13.13 N ATOM 652 CA ASP A 44 24.110 16.291 -6.399 1.00 43.51 C ATOM 653 C ASP A 44 24.141 14.880 -7.005 1.00 14.14 C ATOM 654 O ASP A 44 24.836 13.994 -6.511 1.00 31.45 O ATOM 655 CB ASP A 44 24.363 16.287 -4.885 1.00 20.31 C ATOM 656 CG ASP A 44 25.827 16.393 -4.502 1.00 24.40 C ATOM 657 OD1 ASP A 44 26.309 17.544 -4.374 1.00 74.54 O ATOM 658 OD2 ASP A 44 26.405 15.351 -4.134 1.00 15.32 O ATOM 0 H ASP A 44 22.050 16.442 -6.118 1.00 13.13 H new ATOM 0 HA ASP A 44 24.903 16.841 -6.906 1.00 43.51 H new ATOM 0 HB2 ASP A 44 23.819 17.117 -4.434 1.00 20.31 H new ATOM 0 HB3 ASP A 44 23.953 15.370 -4.461 1.00 20.31 H new ATOM 663 N ARG A 45 23.295 14.629 -8.015 1.00 44.33 N ATOM 664 CA ARG A 45 23.036 13.356 -8.712 1.00 14.55 C ATOM 665 C ARG A 45 22.700 12.142 -7.850 1.00 24.13 C ATOM 666 O ARG A 45 22.395 11.087 -8.407 1.00 72.33 O ATOM 667 CB ARG A 45 24.149 13.034 -9.733 1.00 34.31 C ATOM 668 CG ARG A 45 23.647 13.174 -11.175 1.00 31.51 C ATOM 669 CD ARG A 45 23.668 14.633 -11.632 1.00 41.13 C ATOM 670 NE ARG A 45 23.030 14.768 -12.949 1.00 30.33 N ATOM 671 CZ ARG A 45 22.055 15.611 -13.301 1.00 24.11 C ATOM 672 NH1 ARG A 45 21.530 16.472 -12.439 1.00 62.40 N ATOM 673 NH2 ARG A 45 21.607 15.559 -14.543 1.00 25.43 N ATOM 0 H ARG A 45 22.722 15.379 -8.401 1.00 44.33 H new ATOM 0 HA ARG A 45 22.099 13.551 -9.234 1.00 14.55 H new ATOM 0 HB2 ARG A 45 24.994 13.704 -9.574 1.00 34.31 H new ATOM 0 HB3 ARG A 45 24.511 12.019 -9.570 1.00 34.31 H new ATOM 0 HG2 ARG A 45 24.269 12.574 -11.839 1.00 31.51 H new ATOM 0 HG3 ARG A 45 22.632 12.782 -11.249 1.00 31.51 H new ATOM 0 HD2 ARG A 45 23.149 15.256 -10.904 1.00 41.13 H new ATOM 0 HD3 ARG A 45 24.697 14.990 -11.681 1.00 41.13 H new ATOM 0 HE ARG A 45 23.372 14.145 -13.681 1.00 30.33 H new ATOM 0 HH11 ARG A 45 21.870 16.503 -11.478 1.00 62.40 H new ATOM 0 HH12 ARG A 45 20.786 17.103 -12.737 1.00 62.40 H new ATOM 0 HH21 ARG A 45 22.005 14.889 -15.201 1.00 25.43 H new ATOM 0 HH22 ARG A 45 20.863 16.189 -14.844 1.00 25.43 H new ATOM 687 N LYS A 46 22.700 12.251 -6.527 1.00 14.42 N ATOM 688 CA LYS A 46 22.114 11.267 -5.642 1.00 10.51 C ATOM 689 C LYS A 46 20.603 11.439 -5.643 1.00 72.31 C ATOM 690 O LYS A 46 20.070 12.429 -6.155 1.00 32.50 O ATOM 691 CB LYS A 46 22.715 11.401 -4.244 1.00 10.42 C ATOM 692 CG LYS A 46 24.218 11.084 -4.258 1.00 63.45 C ATOM 693 CD LYS A 46 24.649 10.447 -2.938 1.00 4.32 C ATOM 694 CE LYS A 46 26.147 10.147 -2.987 1.00 2.24 C ATOM 695 NZ LYS A 46 26.528 9.118 -2.008 1.00 32.02 N ATOM 0 H LYS A 46 23.116 13.042 -6.036 1.00 14.42 H new ATOM 0 HA LYS A 46 22.338 10.258 -5.989 1.00 10.51 H new ATOM 0 HB2 LYS A 46 22.557 12.413 -3.872 1.00 10.42 H new ATOM 0 HB3 LYS A 46 22.204 10.726 -3.558 1.00 10.42 H new ATOM 0 HG2 LYS A 46 24.445 10.410 -5.084 1.00 63.45 H new ATOM 0 HG3 LYS A 46 24.786 11.999 -4.428 1.00 63.45 H new ATOM 0 HD2 LYS A 46 24.428 11.118 -2.108 1.00 4.32 H new ATOM 0 HD3 LYS A 46 24.088 9.529 -2.764 1.00 4.32 H new ATOM 0 HE2 LYS A 46 26.419 9.815 -3.989 1.00 2.24 H new ATOM 0 HE3 LYS A 46 26.708 11.061 -2.791 1.00 2.24 H new ATOM 0 HZ1 LYS A 46 27.551 8.941 -2.071 1.00 32.02 H new ATOM 0 HZ2 LYS A 46 26.291 9.446 -1.050 1.00 32.02 H new ATOM 0 HZ3 LYS A 46 26.012 8.238 -2.210 1.00 32.02 H new ATOM 709 N LEU A 47 19.925 10.450 -5.077 1.00 71.43 N ATOM 710 CA LEU A 47 18.504 10.249 -5.105 1.00 72.13 C ATOM 711 C LEU A 47 18.001 10.230 -3.667 1.00 71.35 C ATOM 712 O LEU A 47 18.671 9.710 -2.771 1.00 23.55 O ATOM 713 CB LEU A 47 18.298 8.898 -5.799 1.00 35.02 C ATOM 714 CG LEU A 47 16.863 8.428 -5.917 1.00 63.11 C ATOM 715 CD1 LEU A 47 16.018 9.484 -6.611 1.00 33.04 C ATOM 716 CD2 LEU A 47 16.823 7.132 -6.727 1.00 34.34 C ATOM 0 H LEU A 47 20.401 9.718 -4.549 1.00 71.43 H new ATOM 0 HA LEU A 47 17.959 11.031 -5.634 1.00 72.13 H new ATOM 0 HB2 LEU A 47 18.724 8.957 -6.800 1.00 35.02 H new ATOM 0 HB3 LEU A 47 18.864 8.142 -5.255 1.00 35.02 H new ATOM 0 HG LEU A 47 16.461 8.255 -4.919 1.00 63.11 H new ATOM 0 HD11 LEU A 47 14.989 9.133 -6.689 1.00 33.04 H new ATOM 0 HD12 LEU A 47 16.043 10.408 -6.033 1.00 33.04 H new ATOM 0 HD13 LEU A 47 16.415 9.669 -7.609 1.00 33.04 H new ATOM 0 HD21 LEU A 47 15.792 6.789 -6.815 1.00 34.34 H new ATOM 0 HD22 LEU A 47 17.232 7.312 -7.721 1.00 34.34 H new ATOM 0 HD23 LEU A 47 17.417 6.370 -6.223 1.00 34.34 H new ATOM 728 N ARG A 48 16.791 10.736 -3.457 1.00 75.20 N ATOM 729 CA ARG A 48 16.068 10.649 -2.198 1.00 63.44 C ATOM 730 C ARG A 48 14.708 10.050 -2.479 1.00 14.23 C ATOM 731 O ARG A 48 13.950 10.590 -3.284 1.00 72.34 O ATOM 732 CB ARG A 48 15.939 12.039 -1.558 1.00 20.44 C ATOM 733 CG ARG A 48 17.193 12.472 -0.785 1.00 64.22 C ATOM 734 CD ARG A 48 17.430 11.602 0.453 1.00 32.34 C ATOM 735 NE ARG A 48 18.598 12.047 1.220 1.00 34.03 N ATOM 736 CZ ARG A 48 19.084 11.443 2.307 1.00 72.24 C ATOM 737 NH1 ARG A 48 18.541 10.328 2.784 1.00 62.33 N ATOM 738 NH2 ARG A 48 20.127 11.975 2.920 1.00 64.52 N ATOM 0 H ARG A 48 16.272 11.233 -4.181 1.00 75.20 H new ATOM 0 HA ARG A 48 16.608 10.017 -1.493 1.00 63.44 H new ATOM 0 HB2 ARG A 48 15.730 12.772 -2.337 1.00 20.44 H new ATOM 0 HB3 ARG A 48 15.085 12.042 -0.881 1.00 20.44 H new ATOM 0 HG2 ARG A 48 18.062 12.414 -1.441 1.00 64.22 H new ATOM 0 HG3 ARG A 48 17.091 13.514 -0.482 1.00 64.22 H new ATOM 0 HD2 ARG A 48 16.546 11.629 1.090 1.00 32.34 H new ATOM 0 HD3 ARG A 48 17.571 10.565 0.147 1.00 32.34 H new ATOM 0 HE ARG A 48 19.078 12.887 0.897 1.00 34.03 H new ATOM 0 HH11 ARG A 48 17.734 9.914 2.318 1.00 62.33 H new ATOM 0 HH12 ARG A 48 18.931 9.886 3.616 1.00 62.33 H new ATOM 0 HH21 ARG A 48 20.547 12.833 2.561 1.00 64.52 H new ATOM 0 HH22 ARG A 48 20.512 11.528 3.752 1.00 64.52 H new ATOM 752 N TYR A 49 14.427 8.921 -1.837 1.00 73.43 N ATOM 753 CA TYR A 49 13.095 8.349 -1.763 1.00 73.21 C ATOM 754 C TYR A 49 12.224 9.283 -0.917 1.00 53.04 C ATOM 755 O TYR A 49 12.741 9.974 -0.034 1.00 12.31 O ATOM 756 CB TYR A 49 13.207 6.949 -1.136 1.00 71.23 C ATOM 757 CG TYR A 49 14.263 6.041 -1.758 1.00 51.40 C ATOM 758 CD1 TYR A 49 14.290 5.828 -3.147 1.00 45.41 C ATOM 759 CD2 TYR A 49 15.236 5.424 -0.952 1.00 2.23 C ATOM 760 CE1 TYR A 49 15.271 5.009 -3.738 1.00 12.42 C ATOM 761 CE2 TYR A 49 16.187 4.558 -1.524 1.00 35.34 C ATOM 762 CZ TYR A 49 16.197 4.329 -2.914 1.00 71.43 C ATOM 763 OH TYR A 49 17.098 3.460 -3.457 1.00 41.02 O ATOM 0 H TYR A 49 15.133 8.372 -1.347 1.00 73.43 H new ATOM 0 HA TYR A 49 12.638 8.248 -2.747 1.00 73.21 H new ATOM 0 HB2 TYR A 49 13.427 7.061 -0.074 1.00 71.23 H new ATOM 0 HB3 TYR A 49 12.238 6.456 -1.211 1.00 71.23 H new ATOM 0 HD1 TYR A 49 13.546 6.300 -3.771 1.00 45.41 H new ATOM 0 HD2 TYR A 49 15.254 5.615 0.111 1.00 2.23 H new ATOM 0 HE1 TYR A 49 15.316 4.901 -4.812 1.00 12.42 H new ATOM 0 HE2 TYR A 49 16.913 4.066 -0.894 1.00 35.34 H new ATOM 0 HH TYR A 49 17.658 3.083 -2.747 1.00 41.02 H new ATOM 773 N SER A 50 10.913 9.294 -1.150 1.00 1.02 N ATOM 774 CA SER A 50 9.981 10.011 -0.287 1.00 51.01 C ATOM 775 C SER A 50 9.871 9.320 1.077 1.00 62.41 C ATOM 776 O SER A 50 10.025 8.099 1.162 1.00 32.42 O ATOM 777 CB SER A 50 8.598 10.092 -0.947 1.00 43.21 C ATOM 778 OG SER A 50 8.582 11.060 -1.976 1.00 15.23 O ATOM 0 H SER A 50 10.472 8.812 -1.933 1.00 1.02 H new ATOM 0 HA SER A 50 10.361 11.022 -0.137 1.00 51.01 H new ATOM 0 HB2 SER A 50 8.329 9.118 -1.355 1.00 43.21 H new ATOM 0 HB3 SER A 50 7.848 10.342 -0.197 1.00 43.21 H new ATOM 0 HG SER A 50 8.899 10.656 -2.811 1.00 15.23 H new ATOM 784 N PRO A 51 9.509 10.051 2.146 1.00 50.30 N ATOM 785 CA PRO A 51 9.326 9.475 3.477 1.00 54.43 C ATOM 786 C PRO A 51 8.114 8.536 3.569 1.00 30.24 C ATOM 787 O PRO A 51 7.992 7.792 4.548 1.00 53.11 O ATOM 788 CB PRO A 51 9.182 10.675 4.417 1.00 71.40 C ATOM 789 CG PRO A 51 8.605 11.764 3.517 1.00 11.23 C ATOM 790 CD PRO A 51 9.273 11.488 2.177 1.00 52.25 C ATOM 0 HA PRO A 51 10.173 8.842 3.742 1.00 54.43 H new ATOM 0 HB2 PRO A 51 8.519 10.453 5.253 1.00 71.40 H new ATOM 0 HB3 PRO A 51 10.142 10.971 4.840 1.00 71.40 H new ATOM 0 HG2 PRO A 51 7.519 11.698 3.448 1.00 11.23 H new ATOM 0 HG3 PRO A 51 8.841 12.761 3.888 1.00 11.23 H new ATOM 0 HD2 PRO A 51 8.635 11.798 1.350 1.00 52.25 H new ATOM 0 HD3 PRO A 51 10.208 12.041 2.084 1.00 52.25 H new ATOM 798 N TYR A 52 7.234 8.568 2.561 1.00 55.14 N ATOM 799 CA TYR A 52 5.987 7.818 2.497 1.00 73.31 C ATOM 800 C TYR A 52 6.158 6.336 2.201 1.00 5.22 C ATOM 801 O TYR A 52 5.167 5.611 2.168 1.00 70.20 O ATOM 802 CB TYR A 52 5.045 8.444 1.451 1.00 53.32 C ATOM 803 CG TYR A 52 4.797 9.921 1.632 1.00 60.01 C ATOM 804 CD1 TYR A 52 4.349 10.398 2.871 1.00 70.35 C ATOM 805 CD2 TYR A 52 4.990 10.815 0.564 1.00 3.32 C ATOM 806 CE1 TYR A 52 4.097 11.758 3.058 1.00 74.31 C ATOM 807 CE2 TYR A 52 4.705 12.179 0.732 1.00 74.11 C ATOM 808 CZ TYR A 52 4.261 12.665 1.983 1.00 44.24 C ATOM 809 OH TYR A 52 4.020 13.997 2.144 1.00 12.44 O ATOM 0 H TYR A 52 7.384 9.145 1.734 1.00 55.14 H new ATOM 0 HA TYR A 52 5.557 7.882 3.496 1.00 73.31 H new ATOM 0 HB2 TYR A 52 5.464 8.279 0.459 1.00 53.32 H new ATOM 0 HB3 TYR A 52 4.089 7.922 1.484 1.00 53.32 H new ATOM 0 HD1 TYR A 52 4.197 9.708 3.688 1.00 70.35 H new ATOM 0 HD2 TYR A 52 5.357 10.452 -0.385 1.00 3.32 H new ATOM 0 HE1 TYR A 52 3.776 12.119 4.024 1.00 74.31 H new ATOM 0 HE2 TYR A 52 4.825 12.860 -0.098 1.00 74.11 H new ATOM 0 HH TYR A 52 4.407 14.493 1.392 1.00 12.44 H new ATOM 819 N LEU A 53 7.378 5.888 1.921 1.00 75.42 N ATOM 820 CA LEU A 53 7.606 4.610 1.275 1.00 55.32 C ATOM 821 C LEU A 53 8.892 4.041 1.847 1.00 14.05 C ATOM 822 O LEU A 53 9.985 4.487 1.492 1.00 72.20 O ATOM 823 CB LEU A 53 7.648 4.842 -0.250 1.00 4.25 C ATOM 824 CG LEU A 53 6.423 4.254 -0.991 1.00 13.32 C ATOM 825 CD1 LEU A 53 5.536 5.364 -1.569 1.00 21.03 C ATOM 826 CD2 LEU A 53 6.860 3.306 -2.112 1.00 54.33 C ATOM 0 H LEU A 53 8.231 6.403 2.137 1.00 75.42 H new ATOM 0 HA LEU A 53 6.814 3.884 1.458 1.00 55.32 H new ATOM 0 HB2 LEU A 53 7.704 5.913 -0.447 1.00 4.25 H new ATOM 0 HB3 LEU A 53 8.557 4.396 -0.654 1.00 4.25 H new ATOM 0 HG LEU A 53 5.844 3.691 -0.259 1.00 13.32 H new ATOM 0 HD11 LEU A 53 4.684 4.919 -2.083 1.00 21.03 H new ATOM 0 HD12 LEU A 53 5.179 6.002 -0.761 1.00 21.03 H new ATOM 0 HD13 LEU A 53 6.114 5.961 -2.274 1.00 21.03 H new ATOM 0 HD21 LEU A 53 5.979 2.908 -2.616 1.00 54.33 H new ATOM 0 HD22 LEU A 53 7.474 3.850 -2.830 1.00 54.33 H new ATOM 0 HD23 LEU A 53 7.439 2.485 -1.689 1.00 54.33 H new ATOM 838 N LYS A 54 8.763 3.099 2.782 1.00 30.10 N ATOM 839 CA LYS A 54 9.881 2.442 3.459 1.00 54.14 C ATOM 840 C LYS A 54 9.654 0.935 3.431 1.00 2.12 C ATOM 841 O LYS A 54 8.500 0.501 3.520 1.00 70.35 O ATOM 842 CB LYS A 54 10.023 2.914 4.920 1.00 21.13 C ATOM 843 CG LYS A 54 10.726 4.275 5.030 1.00 64.41 C ATOM 844 CD LYS A 54 11.221 4.586 6.454 1.00 51.41 C ATOM 845 CE LYS A 54 10.066 4.815 7.437 1.00 54.12 C ATOM 846 NZ LYS A 54 10.438 5.725 8.542 1.00 43.21 N ATOM 0 H LYS A 54 7.853 2.763 3.098 1.00 30.10 H new ATOM 0 HA LYS A 54 10.801 2.704 2.936 1.00 54.14 H new ATOM 0 HB2 LYS A 54 9.035 2.981 5.375 1.00 21.13 H new ATOM 0 HB3 LYS A 54 10.585 2.171 5.486 1.00 21.13 H new ATOM 0 HG2 LYS A 54 11.573 4.296 4.345 1.00 64.41 H new ATOM 0 HG3 LYS A 54 10.039 5.059 4.711 1.00 64.41 H new ATOM 0 HD2 LYS A 54 11.839 3.761 6.809 1.00 51.41 H new ATOM 0 HD3 LYS A 54 11.855 5.472 6.430 1.00 51.41 H new ATOM 0 HE2 LYS A 54 9.213 5.229 6.900 1.00 54.12 H new ATOM 0 HE3 LYS A 54 9.749 3.857 7.850 1.00 54.12 H new ATOM 0 HZ1 LYS A 54 9.625 5.848 9.179 1.00 43.21 H new ATOM 0 HZ2 LYS A 54 11.235 5.319 9.073 1.00 43.21 H new ATOM 0 HZ3 LYS A 54 10.716 6.649 8.153 1.00 43.21 H new ATOM 860 N PRO A 55 10.724 0.129 3.349 1.00 51.52 N ATOM 861 CA PRO A 55 10.618 -1.302 3.550 1.00 1.14 C ATOM 862 C PRO A 55 10.306 -1.576 5.026 1.00 61.32 C ATOM 863 O PRO A 55 10.499 -0.729 5.911 1.00 42.45 O ATOM 864 CB PRO A 55 11.985 -1.859 3.141 1.00 63.33 C ATOM 865 CG PRO A 55 12.939 -0.733 3.527 1.00 33.14 C ATOM 866 CD PRO A 55 12.122 0.522 3.216 1.00 24.54 C ATOM 0 HA PRO A 55 9.822 -1.767 2.968 1.00 1.14 H new ATOM 0 HB2 PRO A 55 12.218 -2.785 3.667 1.00 63.33 H new ATOM 0 HB3 PRO A 55 12.029 -2.079 2.074 1.00 63.33 H new ATOM 0 HG2 PRO A 55 13.220 -0.783 4.579 1.00 33.14 H new ATOM 0 HG3 PRO A 55 13.862 -0.769 2.949 1.00 33.14 H new ATOM 0 HD2 PRO A 55 12.368 1.330 3.905 1.00 24.54 H new ATOM 0 HD3 PRO A 55 12.332 0.886 2.210 1.00 24.54 H new ATOM 874 N ARG A 56 9.865 -2.799 5.295 1.00 73.12 N ATOM 875 CA ARG A 56 9.797 -3.390 6.621 1.00 32.03 C ATOM 876 C ARG A 56 10.457 -4.761 6.499 1.00 32.01 C ATOM 877 O ARG A 56 11.060 -5.069 5.471 1.00 34.14 O ATOM 878 CB ARG A 56 8.343 -3.422 7.120 1.00 4.34 C ATOM 879 CG ARG A 56 7.928 -2.014 7.566 1.00 52.42 C ATOM 880 CD ARG A 56 6.519 -2.046 8.157 1.00 14.31 C ATOM 881 NE ARG A 56 5.979 -0.711 8.488 1.00 30.24 N ATOM 882 CZ ARG A 56 6.368 0.087 9.490 1.00 15.01 C ATOM 883 NH1 ARG A 56 7.323 -0.281 10.337 1.00 31.22 N ATOM 884 NH2 ARG A 56 5.789 1.273 9.617 1.00 23.12 N ATOM 0 H ARG A 56 9.532 -3.429 4.565 1.00 73.12 H new ATOM 0 HA ARG A 56 10.325 -2.810 7.377 1.00 32.03 H new ATOM 0 HB2 ARG A 56 7.682 -3.774 6.328 1.00 4.34 H new ATOM 0 HB3 ARG A 56 8.247 -4.122 7.950 1.00 4.34 H new ATOM 0 HG2 ARG A 56 8.633 -1.636 8.306 1.00 52.42 H new ATOM 0 HG3 ARG A 56 7.960 -1.331 6.717 1.00 52.42 H new ATOM 0 HD2 ARG A 56 5.849 -2.533 7.448 1.00 14.31 H new ATOM 0 HD3 ARG A 56 6.528 -2.658 9.059 1.00 14.31 H new ATOM 0 HE ARG A 56 5.231 -0.360 7.890 1.00 30.24 H new ATOM 0 HH11 ARG A 56 7.776 -1.189 10.231 1.00 31.22 H new ATOM 0 HH12 ARG A 56 7.603 0.344 11.093 1.00 31.22 H new ATOM 0 HH21 ARG A 56 5.064 1.560 8.959 1.00 23.12 H new ATOM 0 HH22 ARG A 56 6.068 1.899 10.373 1.00 23.12 H new ATOM 898 N VAL A 57 10.336 -5.586 7.533 1.00 43.20 N ATOM 899 CA VAL A 57 10.255 -7.028 7.363 1.00 24.55 C ATOM 900 C VAL A 57 9.197 -7.522 8.347 1.00 31.11 C ATOM 901 O VAL A 57 9.396 -7.442 9.560 1.00 63.41 O ATOM 902 CB VAL A 57 11.619 -7.746 7.493 1.00 32.11 C ATOM 903 CG1 VAL A 57 11.420 -9.257 7.345 1.00 31.05 C ATOM 904 CG2 VAL A 57 12.636 -7.360 6.407 1.00 33.51 C ATOM 0 H VAL A 57 10.292 -5.276 8.504 1.00 43.20 H new ATOM 0 HA VAL A 57 9.960 -7.274 6.343 1.00 24.55 H new ATOM 0 HB VAL A 57 12.004 -7.448 8.468 1.00 32.11 H new ATOM 0 HG11 VAL A 57 12.382 -9.761 7.437 1.00 31.05 H new ATOM 0 HG12 VAL A 57 10.747 -9.614 8.125 1.00 31.05 H new ATOM 0 HG13 VAL A 57 10.989 -9.473 6.368 1.00 31.05 H new ATOM 0 HG21 VAL A 57 13.565 -7.906 6.568 1.00 33.51 H new ATOM 0 HG22 VAL A 57 12.233 -7.611 5.426 1.00 33.51 H new ATOM 0 HG23 VAL A 57 12.831 -6.289 6.456 1.00 33.51 H new ATOM 914 N ILE A 58 8.073 -7.990 7.811 1.00 35.22 N ATOM 915 CA ILE A 58 6.881 -8.463 8.504 1.00 5.21 C ATOM 916 C ILE A 58 6.757 -9.925 8.128 1.00 13.11 C ATOM 917 O ILE A 58 6.813 -10.264 6.950 1.00 70.20 O ATOM 918 CB ILE A 58 5.658 -7.653 8.028 1.00 63.14 C ATOM 919 CG1 ILE A 58 5.788 -6.221 8.562 1.00 63.12 C ATOM 920 CG2 ILE A 58 4.306 -8.261 8.442 1.00 3.41 C ATOM 921 CD1 ILE A 58 4.943 -5.254 7.749 1.00 3.22 C ATOM 0 H ILE A 58 7.965 -8.053 6.799 1.00 35.22 H new ATOM 0 HA ILE A 58 6.941 -8.342 9.586 1.00 5.21 H new ATOM 0 HB ILE A 58 5.659 -7.669 6.938 1.00 63.14 H new ATOM 0 HG12 ILE A 58 5.478 -6.190 9.607 1.00 63.12 H new ATOM 0 HG13 ILE A 58 6.833 -5.911 8.530 1.00 63.12 H new ATOM 0 HG21 ILE A 58 3.496 -7.634 8.070 1.00 3.41 H new ATOM 0 HG22 ILE A 58 4.213 -9.262 8.021 1.00 3.41 H new ATOM 0 HG23 ILE A 58 4.251 -8.318 9.529 1.00 3.41 H new ATOM 0 HD11 ILE A 58 5.055 -4.247 8.150 1.00 3.22 H new ATOM 0 HD12 ILE A 58 5.271 -5.269 6.710 1.00 3.22 H new ATOM 0 HD13 ILE A 58 3.896 -5.552 7.803 1.00 3.22 H new ATOM 933 N GLU A 59 6.639 -10.801 9.116 1.00 15.42 N ATOM 934 CA GLU A 59 6.561 -12.252 8.917 1.00 63.01 C ATOM 935 C GLU A 59 7.798 -12.810 8.186 1.00 61.23 C ATOM 936 O GLU A 59 7.725 -13.853 7.538 1.00 32.14 O ATOM 937 CB GLU A 59 5.240 -12.653 8.226 1.00 54.43 C ATOM 938 CG GLU A 59 4.014 -11.953 8.828 1.00 64.43 C ATOM 939 CD GLU A 59 2.712 -12.548 8.318 1.00 75.24 C ATOM 940 OE1 GLU A 59 2.349 -13.613 8.859 1.00 4.11 O ATOM 941 OE2 GLU A 59 2.085 -11.964 7.394 1.00 62.13 O ATOM 0 H GLU A 59 6.594 -10.525 10.097 1.00 15.42 H new ATOM 0 HA GLU A 59 6.561 -12.714 9.904 1.00 63.01 H new ATOM 0 HB2 GLU A 59 5.304 -12.414 7.165 1.00 54.43 H new ATOM 0 HB3 GLU A 59 5.109 -13.732 8.302 1.00 54.43 H new ATOM 0 HG2 GLU A 59 4.048 -12.033 9.915 1.00 64.43 H new ATOM 0 HG3 GLU A 59 4.047 -10.891 8.585 1.00 64.43 H new ATOM 948 N GLY A 60 8.935 -12.105 8.225 1.00 63.42 N ATOM 949 CA GLY A 60 10.133 -12.456 7.461 1.00 12.34 C ATOM 950 C GLY A 60 10.096 -11.952 6.011 1.00 14.01 C ATOM 951 O GLY A 60 11.082 -12.111 5.288 1.00 24.20 O ATOM 0 H GLY A 60 9.048 -11.266 8.795 1.00 63.42 H new ATOM 0 HA2 GLY A 60 11.009 -12.042 7.960 1.00 12.34 H new ATOM 0 HA3 GLY A 60 10.250 -13.540 7.459 1.00 12.34 H new ATOM 955 N VAL A 61 9.011 -11.311 5.578 1.00 61.11 N ATOM 956 CA VAL A 61 8.773 -10.796 4.234 1.00 33.53 C ATOM 957 C VAL A 61 9.070 -9.299 4.243 1.00 63.25 C ATOM 958 O VAL A 61 8.583 -8.582 5.106 1.00 54.24 O ATOM 959 CB VAL A 61 7.291 -11.017 3.850 1.00 51.24 C ATOM 960 CG1 VAL A 61 7.059 -10.761 2.352 1.00 3.33 C ATOM 961 CG2 VAL A 61 6.809 -12.427 4.201 1.00 73.35 C ATOM 0 H VAL A 61 8.224 -11.126 6.200 1.00 61.11 H new ATOM 0 HA VAL A 61 9.410 -11.310 3.514 1.00 33.53 H new ATOM 0 HB VAL A 61 6.713 -10.300 4.433 1.00 51.24 H new ATOM 0 HG11 VAL A 61 6.008 -10.925 2.113 1.00 3.33 H new ATOM 0 HG12 VAL A 61 7.330 -9.733 2.112 1.00 3.33 H new ATOM 0 HG13 VAL A 61 7.674 -11.444 1.767 1.00 3.33 H new ATOM 0 HG21 VAL A 61 5.763 -12.536 3.913 1.00 73.35 H new ATOM 0 HG22 VAL A 61 7.411 -13.161 3.666 1.00 73.35 H new ATOM 0 HG23 VAL A 61 6.909 -12.589 5.274 1.00 73.35 H new ATOM 971 N ARG A 62 9.835 -8.818 3.261 1.00 52.31 N ATOM 972 CA ARG A 62 10.123 -7.392 3.061 1.00 71.33 C ATOM 973 C ARG A 62 8.874 -6.497 3.197 1.00 5.34 C ATOM 974 O ARG A 62 8.837 -5.570 3.992 1.00 1.10 O ATOM 975 CB ARG A 62 10.931 -7.139 1.769 1.00 25.32 C ATOM 976 CG ARG A 62 10.731 -8.077 0.575 1.00 75.14 C ATOM 977 CD ARG A 62 11.823 -9.123 0.326 1.00 64.12 C ATOM 978 NE ARG A 62 11.484 -9.964 -0.846 1.00 44.42 N ATOM 979 CZ ARG A 62 11.679 -11.288 -0.978 1.00 44.23 C ATOM 980 NH1 ARG A 62 12.352 -11.969 -0.057 1.00 22.25 N ATOM 981 NH2 ARG A 62 11.206 -11.937 -2.044 1.00 32.41 N ATOM 0 H ARG A 62 10.281 -9.419 2.568 1.00 52.31 H new ATOM 0 HA ARG A 62 10.771 -7.087 3.883 1.00 71.33 H new ATOM 0 HB2 ARG A 62 10.707 -6.126 1.434 1.00 25.32 H new ATOM 0 HB3 ARG A 62 11.989 -7.161 2.032 1.00 25.32 H new ATOM 0 HG2 ARG A 62 9.784 -8.600 0.709 1.00 75.14 H new ATOM 0 HG3 ARG A 62 10.634 -7.467 -0.323 1.00 75.14 H new ATOM 0 HD2 ARG A 62 12.779 -8.626 0.159 1.00 64.12 H new ATOM 0 HD3 ARG A 62 11.940 -9.751 1.209 1.00 64.12 H new ATOM 0 HE ARG A 62 11.056 -9.487 -1.639 1.00 44.42 H new ATOM 0 HH11 ARG A 62 12.727 -11.488 0.761 1.00 22.25 H new ATOM 0 HH12 ARG A 62 12.494 -12.973 -0.167 1.00 22.25 H new ATOM 0 HH21 ARG A 62 10.693 -11.429 -2.764 1.00 32.41 H new ATOM 0 HH22 ARG A 62 11.357 -12.941 -2.138 1.00 32.41 H new ATOM 995 N CYS A 63 7.826 -6.795 2.425 1.00 54.32 N ATOM 996 CA CYS A 63 6.680 -5.902 2.227 1.00 60.21 C ATOM 997 C CYS A 63 7.128 -4.511 1.728 1.00 62.14 C ATOM 998 O CYS A 63 8.291 -4.325 1.363 1.00 64.14 O ATOM 999 CB CYS A 63 5.813 -5.836 3.496 1.00 52.52 C ATOM 1000 SG CYS A 63 5.477 -7.496 4.143 1.00 32.52 S ATOM 0 H CYS A 63 7.748 -7.674 1.913 1.00 54.32 H new ATOM 0 HA CYS A 63 6.051 -6.316 1.439 1.00 60.21 H new ATOM 0 HB2 CYS A 63 6.320 -5.242 4.256 1.00 52.52 H new ATOM 0 HB3 CYS A 63 4.873 -5.332 3.272 1.00 52.52 H new ATOM 0 HG CYS A 63 6.587 -8.036 4.549 1.00 32.52 H new ATOM 1006 N LEU A 64 6.206 -3.551 1.639 1.00 53.51 N ATOM 1007 CA LEU A 64 6.479 -2.142 1.373 1.00 43.41 C ATOM 1008 C LEU A 64 5.375 -1.344 2.058 1.00 43.14 C ATOM 1009 O LEU A 64 4.202 -1.607 1.782 1.00 64.34 O ATOM 1010 CB LEU A 64 6.473 -1.862 -0.144 1.00 10.33 C ATOM 1011 CG LEU A 64 7.677 -1.059 -0.646 1.00 0.31 C ATOM 1012 CD1 LEU A 64 7.480 -0.703 -2.115 1.00 20.02 C ATOM 1013 CD2 LEU A 64 7.995 0.254 0.069 1.00 53.11 C ATOM 0 H LEU A 64 5.211 -3.743 1.755 1.00 53.51 H new ATOM 0 HA LEU A 64 7.462 -1.862 1.751 1.00 43.41 H new ATOM 0 HB2 LEU A 64 6.439 -2.813 -0.676 1.00 10.33 H new ATOM 0 HB3 LEU A 64 5.561 -1.322 -0.397 1.00 10.33 H new ATOM 0 HG LEU A 64 8.512 -1.730 -0.447 1.00 0.31 H new ATOM 0 HD11 LEU A 64 8.338 -0.132 -2.469 1.00 20.02 H new ATOM 0 HD12 LEU A 64 7.385 -1.617 -2.701 1.00 20.02 H new ATOM 0 HD13 LEU A 64 6.575 -0.105 -2.226 1.00 20.02 H new ATOM 0 HD21 LEU A 64 8.870 0.715 -0.389 1.00 53.11 H new ATOM 0 HD22 LEU A 64 7.143 0.929 -0.014 1.00 53.11 H new ATOM 0 HD23 LEU A 64 8.199 0.055 1.121 1.00 53.11 H new ATOM 1025 N ALA A 65 5.724 -0.426 2.961 1.00 45.51 N ATOM 1026 CA ALA A 65 4.755 0.497 3.541 1.00 40.23 C ATOM 1027 C ALA A 65 4.444 1.614 2.539 1.00 0.23 C ATOM 1028 O ALA A 65 5.327 2.016 1.779 1.00 3.23 O ATOM 1029 CB ALA A 65 5.326 1.094 4.831 1.00 61.24 C ATOM 0 H ALA A 65 6.676 -0.304 3.306 1.00 45.51 H new ATOM 0 HA ALA A 65 3.834 -0.039 3.772 1.00 40.23 H new ATOM 0 HB1 ALA A 65 4.602 1.784 5.264 1.00 61.24 H new ATOM 0 HB2 ALA A 65 5.535 0.294 5.541 1.00 61.24 H new ATOM 0 HB3 ALA A 65 6.248 1.630 4.607 1.00 61.24 H new ATOM 1035 N VAL A 66 3.223 2.150 2.586 1.00 0.40 N ATOM 1036 CA VAL A 66 2.742 3.264 1.768 1.00 34.33 C ATOM 1037 C VAL A 66 1.942 4.161 2.725 1.00 34.14 C ATOM 1038 O VAL A 66 0.785 3.869 3.037 1.00 1.20 O ATOM 1039 CB VAL A 66 1.879 2.800 0.590 1.00 63.12 C ATOM 1040 CG1 VAL A 66 1.692 3.955 -0.406 1.00 73.14 C ATOM 1041 CG2 VAL A 66 2.502 1.599 -0.117 1.00 22.02 C ATOM 0 H VAL A 66 2.509 1.802 3.226 1.00 0.40 H new ATOM 0 HA VAL A 66 3.577 3.795 1.311 1.00 34.33 H new ATOM 0 HB VAL A 66 0.909 2.494 0.981 1.00 63.12 H new ATOM 0 HG11 VAL A 66 1.078 3.619 -1.241 1.00 73.14 H new ATOM 0 HG12 VAL A 66 1.200 4.790 0.093 1.00 73.14 H new ATOM 0 HG13 VAL A 66 2.665 4.276 -0.777 1.00 73.14 H new ATOM 0 HG21 VAL A 66 1.865 1.295 -0.948 1.00 22.02 H new ATOM 0 HG22 VAL A 66 3.487 1.871 -0.496 1.00 22.02 H new ATOM 0 HG23 VAL A 66 2.599 0.773 0.587 1.00 22.02 H new ATOM 1051 N ASP A 67 2.576 5.194 3.264 1.00 13.33 N ATOM 1052 CA ASP A 67 1.978 6.171 4.193 1.00 74.51 C ATOM 1053 C ASP A 67 0.781 6.839 3.525 1.00 40.30 C ATOM 1054 O ASP A 67 0.872 7.288 2.377 1.00 21.31 O ATOM 1055 CB ASP A 67 3.041 7.204 4.584 1.00 63.30 C ATOM 1056 CG ASP A 67 2.641 8.292 5.586 1.00 25.30 C ATOM 1057 OD1 ASP A 67 1.443 8.564 5.772 1.00 34.40 O ATOM 1058 OD2 ASP A 67 3.574 8.878 6.195 1.00 72.41 O ATOM 0 H ASP A 67 3.557 5.390 3.065 1.00 13.33 H new ATOM 0 HA ASP A 67 1.629 5.671 5.097 1.00 74.51 H new ATOM 0 HB2 ASP A 67 3.896 6.667 4.995 1.00 63.30 H new ATOM 0 HB3 ASP A 67 3.382 7.696 3.673 1.00 63.30 H new ATOM 1063 N LEU A 68 -0.354 6.888 4.225 1.00 12.23 N ATOM 1064 CA LEU A 68 -1.594 7.441 3.695 1.00 22.43 C ATOM 1065 C LEU A 68 -1.524 8.960 3.505 1.00 41.33 C ATOM 1066 O LEU A 68 -2.321 9.510 2.755 1.00 34.55 O ATOM 1067 CB LEU A 68 -2.793 7.017 4.555 1.00 42.41 C ATOM 1068 CG LEU A 68 -3.538 5.808 3.950 1.00 71.21 C ATOM 1069 CD1 LEU A 68 -4.433 5.152 5.002 1.00 35.22 C ATOM 1070 CD2 LEU A 68 -4.395 6.210 2.740 1.00 33.10 C ATOM 0 H LEU A 68 -0.435 6.542 5.181 1.00 12.23 H new ATOM 0 HA LEU A 68 -1.738 7.023 2.699 1.00 22.43 H new ATOM 0 HB2 LEU A 68 -2.449 6.766 5.558 1.00 42.41 H new ATOM 0 HB3 LEU A 68 -3.483 7.855 4.655 1.00 42.41 H new ATOM 0 HG LEU A 68 -2.780 5.101 3.614 1.00 71.21 H new ATOM 0 HD11 LEU A 68 -4.951 4.301 4.559 1.00 35.22 H new ATOM 0 HD12 LEU A 68 -3.822 4.810 5.837 1.00 35.22 H new ATOM 0 HD13 LEU A 68 -5.165 5.876 5.360 1.00 35.22 H new ATOM 0 HD21 LEU A 68 -4.902 5.330 2.345 1.00 33.10 H new ATOM 0 HD22 LEU A 68 -5.136 6.948 3.048 1.00 33.10 H new ATOM 0 HD23 LEU A 68 -3.756 6.638 1.968 1.00 33.10 H new ATOM 1082 N LYS A 69 -0.551 9.663 4.094 1.00 34.10 N ATOM 1083 CA LYS A 69 -0.347 11.092 3.844 1.00 65.31 C ATOM 1084 C LYS A 69 -0.020 11.343 2.365 1.00 55.34 C ATOM 1085 O LYS A 69 -0.382 12.396 1.837 1.00 23.14 O ATOM 1086 CB LYS A 69 0.754 11.596 4.795 1.00 14.33 C ATOM 1087 CG LYS A 69 0.751 13.109 5.092 1.00 64.11 C ATOM 1088 CD LYS A 69 1.232 14.020 3.949 1.00 55.01 C ATOM 1089 CE LYS A 69 0.079 14.798 3.303 1.00 52.15 C ATOM 1090 NZ LYS A 69 -0.098 16.180 3.788 1.00 53.44 N ATOM 0 H LYS A 69 0.114 9.259 4.754 1.00 34.10 H new ATOM 0 HA LYS A 69 -1.260 11.653 4.046 1.00 65.31 H new ATOM 0 HB2 LYS A 69 0.663 11.060 5.740 1.00 14.33 H new ATOM 0 HB3 LYS A 69 1.722 11.331 4.370 1.00 14.33 H new ATOM 0 HG2 LYS A 69 -0.263 13.404 5.364 1.00 64.11 H new ATOM 0 HG3 LYS A 69 1.380 13.290 5.964 1.00 64.11 H new ATOM 0 HD2 LYS A 69 1.971 14.723 4.333 1.00 55.01 H new ATOM 0 HD3 LYS A 69 1.730 13.416 3.191 1.00 55.01 H new ATOM 0 HE2 LYS A 69 0.240 14.826 2.225 1.00 52.15 H new ATOM 0 HE3 LYS A 69 -0.848 14.249 3.472 1.00 52.15 H new ATOM 0 HZ1 LYS A 69 -0.899 16.622 3.293 1.00 53.44 H new ATOM 0 HZ2 LYS A 69 -0.287 16.168 4.811 1.00 53.44 H new ATOM 0 HZ3 LYS A 69 0.767 16.727 3.602 1.00 53.44 H new ATOM 1104 N LEU A 70 0.614 10.394 1.664 1.00 35.04 N ATOM 1105 CA LEU A 70 0.882 10.515 0.226 1.00 25.40 C ATOM 1106 C LEU A 70 -0.419 10.802 -0.559 1.00 42.33 C ATOM 1107 O LEU A 70 -0.373 11.527 -1.550 1.00 22.24 O ATOM 1108 CB LEU A 70 1.644 9.281 -0.295 1.00 4.22 C ATOM 1109 CG LEU A 70 1.802 9.184 -1.828 1.00 45.14 C ATOM 1110 CD1 LEU A 70 2.779 10.238 -2.363 1.00 53.13 C ATOM 1111 CD2 LEU A 70 2.326 7.795 -2.215 1.00 34.24 C ATOM 0 H LEU A 70 0.954 9.525 2.076 1.00 35.04 H new ATOM 0 HA LEU A 70 1.533 11.373 0.061 1.00 25.40 H new ATOM 0 HB2 LEU A 70 2.637 9.275 0.154 1.00 4.22 H new ATOM 0 HB3 LEU A 70 1.130 8.386 0.055 1.00 4.22 H new ATOM 0 HG LEU A 70 0.820 9.358 -2.267 1.00 45.14 H new ATOM 0 HD11 LEU A 70 2.865 10.139 -3.445 1.00 53.13 H new ATOM 0 HD12 LEU A 70 2.410 11.234 -2.118 1.00 53.13 H new ATOM 0 HD13 LEU A 70 3.758 10.091 -1.907 1.00 53.13 H new ATOM 0 HD21 LEU A 70 2.434 7.736 -3.298 1.00 34.24 H new ATOM 0 HD22 LEU A 70 3.294 7.627 -1.744 1.00 34.24 H new ATOM 0 HD23 LEU A 70 1.622 7.034 -1.879 1.00 34.24 H new ATOM 1123 N LYS A 71 -1.580 10.303 -0.117 1.00 40.13 N ATOM 1124 CA LYS A 71 -2.884 10.447 -0.771 1.00 51.33 C ATOM 1125 C LYS A 71 -3.345 11.894 -0.773 1.00 40.21 C ATOM 1126 O LYS A 71 -3.967 12.321 -1.735 1.00 44.42 O ATOM 1127 CB LYS A 71 -3.884 9.566 0.002 1.00 2.05 C ATOM 1128 CG LYS A 71 -5.348 9.531 -0.463 1.00 2.05 C ATOM 1129 CD LYS A 71 -5.552 8.655 -1.702 1.00 10.54 C ATOM 1130 CE LYS A 71 -6.878 7.871 -1.626 1.00 5.02 C ATOM 1131 NZ LYS A 71 -7.967 8.454 -2.434 1.00 15.35 N ATOM 0 H LYS A 71 -1.637 9.763 0.746 1.00 40.13 H new ATOM 0 HA LYS A 71 -2.815 10.136 -1.813 1.00 51.33 H new ATOM 0 HB2 LYS A 71 -3.507 8.544 -0.016 1.00 2.05 H new ATOM 0 HB3 LYS A 71 -3.875 9.891 1.043 1.00 2.05 H new ATOM 0 HG2 LYS A 71 -5.974 9.158 0.348 1.00 2.05 H new ATOM 0 HG3 LYS A 71 -5.680 10.546 -0.682 1.00 2.05 H new ATOM 0 HD2 LYS A 71 -5.548 9.279 -2.595 1.00 10.54 H new ATOM 0 HD3 LYS A 71 -4.720 7.957 -1.797 1.00 10.54 H new ATOM 0 HE2 LYS A 71 -6.702 6.847 -1.956 1.00 5.02 H new ATOM 0 HE3 LYS A 71 -7.199 7.820 -0.586 1.00 5.02 H new ATOM 0 HZ1 LYS A 71 -8.842 7.913 -2.279 1.00 15.35 H new ATOM 0 HZ2 LYS A 71 -8.117 9.444 -2.152 1.00 15.35 H new ATOM 0 HZ3 LYS A 71 -7.710 8.417 -3.441 1.00 15.35 H new ATOM 1145 N ASP A 72 -3.047 12.654 0.275 1.00 10.34 N ATOM 1146 CA ASP A 72 -3.399 14.067 0.329 1.00 11.45 C ATOM 1147 C ASP A 72 -2.601 14.838 -0.718 1.00 10.42 C ATOM 1148 O ASP A 72 -3.166 15.589 -1.510 1.00 64.55 O ATOM 1149 CB ASP A 72 -3.105 14.600 1.728 1.00 50.34 C ATOM 1150 CG ASP A 72 -3.270 16.120 1.825 1.00 53.41 C ATOM 1151 OD1 ASP A 72 -4.382 16.643 1.590 1.00 73.00 O ATOM 1152 OD2 ASP A 72 -2.271 16.801 2.160 1.00 5.11 O ATOM 0 H ASP A 72 -2.559 12.312 1.103 1.00 10.34 H new ATOM 0 HA ASP A 72 -4.460 14.194 0.114 1.00 11.45 H new ATOM 0 HB2 ASP A 72 -3.772 14.119 2.444 1.00 50.34 H new ATOM 0 HB3 ASP A 72 -2.087 14.330 2.009 1.00 50.34 H new ATOM 1157 N THR A 73 -1.281 14.642 -0.728 1.00 4.42 N ATOM 1158 CA THR A 73 -0.369 15.475 -1.501 1.00 70.43 C ATOM 1159 C THR A 73 -0.209 14.978 -2.949 1.00 15.32 C ATOM 1160 O THR A 73 0.229 15.750 -3.811 1.00 11.34 O ATOM 1161 CB THR A 73 0.957 15.578 -0.719 1.00 53.11 C ATOM 1162 OG1 THR A 73 1.738 16.677 -1.131 1.00 1.22 O ATOM 1163 CG2 THR A 73 1.816 14.311 -0.760 1.00 54.10 C ATOM 0 H THR A 73 -0.819 13.902 -0.200 1.00 4.42 H new ATOM 0 HA THR A 73 -0.778 16.478 -1.618 1.00 70.43 H new ATOM 0 HB THR A 73 0.638 15.721 0.313 1.00 53.11 H new ATOM 0 HG1 THR A 73 2.567 16.704 -0.608 1.00 1.22 H new ATOM 0 HG21 THR A 73 2.728 14.471 -0.185 1.00 54.10 H new ATOM 0 HG22 THR A 73 1.258 13.479 -0.330 1.00 54.10 H new ATOM 0 HG23 THR A 73 2.074 14.080 -1.793 1.00 54.10 H new ATOM 1171 N ASN A 74 -0.534 13.717 -3.254 1.00 23.10 N ATOM 1172 CA ASN A 74 -0.309 13.095 -4.560 1.00 55.13 C ATOM 1173 C ASN A 74 -1.190 11.838 -4.725 1.00 31.51 C ATOM 1174 O ASN A 74 -0.669 10.722 -4.848 1.00 61.31 O ATOM 1175 CB ASN A 74 1.203 12.808 -4.685 1.00 45.22 C ATOM 1176 CG ASN A 74 1.699 12.586 -6.104 1.00 70.13 C ATOM 1177 OD1 ASN A 74 2.514 13.355 -6.616 1.00 13.31 O ATOM 1178 ND2 ASN A 74 1.319 11.488 -6.717 1.00 70.01 N ATOM 0 H ASN A 74 -0.971 13.087 -2.582 1.00 23.10 H new ATOM 0 HA ASN A 74 -0.603 13.759 -5.373 1.00 55.13 H new ATOM 0 HB2 ASN A 74 1.753 13.643 -4.250 1.00 45.22 H new ATOM 0 HB3 ASN A 74 1.440 11.926 -4.091 1.00 45.22 H new ATOM 0 HD21 ASN A 74 1.700 11.258 -7.635 1.00 70.01 H new ATOM 0 HD22 ASN A 74 0.643 10.865 -6.275 1.00 70.01 H new ATOM 1185 N PRO A 75 -2.526 11.991 -4.756 1.00 53.41 N ATOM 1186 CA PRO A 75 -3.492 10.895 -4.790 1.00 34.10 C ATOM 1187 C PRO A 75 -3.350 9.959 -5.991 1.00 72.22 C ATOM 1188 O PRO A 75 -3.591 8.759 -5.848 1.00 30.22 O ATOM 1189 CB PRO A 75 -4.870 11.567 -4.763 1.00 22.44 C ATOM 1190 CG PRO A 75 -4.618 12.983 -5.265 1.00 14.10 C ATOM 1191 CD PRO A 75 -3.235 13.260 -4.698 1.00 44.42 C ATOM 0 HA PRO A 75 -3.326 10.236 -3.938 1.00 34.10 H new ATOM 0 HB2 PRO A 75 -5.580 11.041 -5.401 1.00 22.44 H new ATOM 0 HB3 PRO A 75 -5.289 11.572 -3.757 1.00 22.44 H new ATOM 0 HG2 PRO A 75 -4.635 13.042 -6.353 1.00 14.10 H new ATOM 0 HG3 PRO A 75 -5.362 13.688 -4.896 1.00 14.10 H new ATOM 0 HD2 PRO A 75 -2.719 14.024 -5.279 1.00 44.42 H new ATOM 0 HD3 PRO A 75 -3.298 13.627 -3.674 1.00 44.42 H new ATOM 1199 N GLU A 76 -2.930 10.457 -7.156 1.00 12.51 N ATOM 1200 CA GLU A 76 -2.679 9.634 -8.340 1.00 0.31 C ATOM 1201 C GLU A 76 -1.571 8.624 -8.047 1.00 54.15 C ATOM 1202 O GLU A 76 -1.666 7.458 -8.417 1.00 44.43 O ATOM 1203 CB GLU A 76 -2.283 10.548 -9.511 1.00 34.31 C ATOM 1204 CG GLU A 76 -2.425 9.855 -10.868 1.00 74.41 C ATOM 1205 CD GLU A 76 -1.754 10.643 -11.994 1.00 1.05 C ATOM 1206 OE1 GLU A 76 -2.014 11.850 -12.180 1.00 44.23 O ATOM 1207 OE2 GLU A 76 -0.973 10.025 -12.753 1.00 61.54 O ATOM 0 H GLU A 76 -2.753 11.450 -7.305 1.00 12.51 H new ATOM 0 HA GLU A 76 -3.581 9.083 -8.606 1.00 0.31 H new ATOM 0 HB2 GLU A 76 -2.906 11.443 -9.496 1.00 34.31 H new ATOM 0 HB3 GLU A 76 -1.252 10.875 -9.380 1.00 34.31 H new ATOM 0 HG2 GLU A 76 -1.986 8.859 -10.813 1.00 74.41 H new ATOM 0 HG3 GLU A 76 -3.482 9.725 -11.098 1.00 74.41 H new ATOM 1214 N GLY A 77 -0.551 9.063 -7.315 1.00 11.11 N ATOM 1215 CA GLY A 77 0.553 8.225 -6.881 1.00 53.43 C ATOM 1216 C GLY A 77 0.072 7.082 -5.996 1.00 20.11 C ATOM 1217 O GLY A 77 0.513 5.948 -6.191 1.00 53.00 O ATOM 0 H GLY A 77 -0.471 10.031 -7.003 1.00 11.11 H new ATOM 0 HA2 GLY A 77 1.068 7.820 -7.752 1.00 53.43 H new ATOM 0 HA3 GLY A 77 1.277 8.829 -6.335 1.00 53.43 H new ATOM 1221 N PHE A 78 -0.836 7.355 -5.052 1.00 3.52 N ATOM 1222 CA PHE A 78 -1.434 6.315 -4.218 1.00 40.25 C ATOM 1223 C PHE A 78 -2.306 5.365 -5.046 1.00 50.31 C ATOM 1224 O PHE A 78 -2.256 4.155 -4.840 1.00 50.24 O ATOM 1225 CB PHE A 78 -2.218 6.920 -3.058 1.00 3.51 C ATOM 1226 CG PHE A 78 -2.571 5.861 -2.032 1.00 11.42 C ATOM 1227 CD1 PHE A 78 -1.562 5.365 -1.188 1.00 63.10 C ATOM 1228 CD2 PHE A 78 -3.869 5.324 -1.951 1.00 71.13 C ATOM 1229 CE1 PHE A 78 -1.858 4.399 -0.213 1.00 53.53 C ATOM 1230 CE2 PHE A 78 -4.162 4.334 -0.998 1.00 22.14 C ATOM 1231 CZ PHE A 78 -3.161 3.885 -0.117 1.00 45.24 C ATOM 0 H PHE A 78 -1.172 8.296 -4.848 1.00 3.52 H new ATOM 0 HA PHE A 78 -0.621 5.725 -3.795 1.00 40.25 H new ATOM 0 HB2 PHE A 78 -1.629 7.706 -2.587 1.00 3.51 H new ATOM 0 HB3 PHE A 78 -3.129 7.386 -3.434 1.00 3.51 H new ATOM 0 HD1 PHE A 78 -0.551 5.730 -1.290 1.00 63.10 H new ATOM 0 HD2 PHE A 78 -4.640 5.673 -2.622 1.00 71.13 H new ATOM 0 HE1 PHE A 78 -1.087 4.053 0.460 1.00 53.53 H new ATOM 0 HE2 PHE A 78 -5.157 3.917 -0.942 1.00 22.14 H new ATOM 0 HZ PHE A 78 -3.395 3.145 0.634 1.00 45.24 H new ATOM 1241 N ASN A 79 -3.067 5.897 -6.009 1.00 31.15 N ATOM 1242 CA ASN A 79 -3.902 5.100 -6.909 1.00 53.04 C ATOM 1243 C ASN A 79 -3.035 4.134 -7.718 1.00 1.21 C ATOM 1244 O ASN A 79 -3.325 2.939 -7.772 1.00 63.50 O ATOM 1245 CB ASN A 79 -4.746 6.004 -7.830 1.00 54.12 C ATOM 1246 CG ASN A 79 -5.998 6.540 -7.153 1.00 64.34 C ATOM 1247 OD1 ASN A 79 -6.589 5.884 -6.300 1.00 51.13 O ATOM 1248 ND2 ASN A 79 -6.398 7.773 -7.409 1.00 30.35 N ATOM 0 H ASN A 79 -3.120 6.900 -6.185 1.00 31.15 H new ATOM 0 HA ASN A 79 -4.596 4.513 -6.308 1.00 53.04 H new ATOM 0 HB2 ASN A 79 -4.135 6.842 -8.167 1.00 54.12 H new ATOM 0 HB3 ASN A 79 -5.033 5.441 -8.718 1.00 54.12 H new ATOM 0 HD21 ASN A 79 -7.189 8.169 -6.900 1.00 30.35 H new ATOM 0 HD22 ASN A 79 -5.916 8.329 -8.115 1.00 30.35 H new ATOM 1255 N GLN A 80 -1.932 4.617 -8.297 1.00 41.23 N ATOM 1256 CA GLN A 80 -0.960 3.761 -8.955 1.00 63.12 C ATOM 1257 C GLN A 80 -0.384 2.730 -7.978 1.00 41.22 C ATOM 1258 O GLN A 80 -0.216 1.571 -8.367 1.00 30.13 O ATOM 1259 CB GLN A 80 0.154 4.599 -9.595 1.00 44.03 C ATOM 1260 CG GLN A 80 -0.306 5.322 -10.872 1.00 60.14 C ATOM 1261 CD GLN A 80 0.797 5.335 -11.926 1.00 2.53 C ATOM 1262 OE1 GLN A 80 1.176 4.295 -12.455 1.00 73.13 O ATOM 1263 NE2 GLN A 80 1.353 6.477 -12.270 1.00 64.23 N ATOM 0 H GLN A 80 -1.695 5.609 -8.319 1.00 41.23 H new ATOM 0 HA GLN A 80 -1.470 3.215 -9.749 1.00 63.12 H new ATOM 0 HB2 GLN A 80 0.509 5.335 -8.874 1.00 44.03 H new ATOM 0 HB3 GLN A 80 0.999 3.952 -9.833 1.00 44.03 H new ATOM 0 HG2 GLN A 80 -1.191 4.828 -11.274 1.00 60.14 H new ATOM 0 HG3 GLN A 80 -0.594 6.345 -10.630 1.00 60.14 H new ATOM 0 HE21 GLN A 80 1.044 7.346 -11.835 1.00 64.23 H new ATOM 0 HE22 GLN A 80 2.093 6.493 -12.972 1.00 64.23 H new ATOM 1272 N LEU A 81 -0.104 3.109 -6.721 1.00 72.01 N ATOM 1273 CA LEU A 81 0.380 2.175 -5.710 1.00 51.11 C ATOM 1274 C LEU A 81 -0.596 1.020 -5.536 1.00 44.45 C ATOM 1275 O LEU A 81 -0.181 -0.138 -5.557 1.00 52.45 O ATOM 1276 CB LEU A 81 0.650 2.861 -4.346 1.00 20.14 C ATOM 1277 CG LEU A 81 2.030 2.436 -3.815 1.00 42.12 C ATOM 1278 CD1 LEU A 81 1.986 0.947 -3.478 1.00 1.23 C ATOM 1279 CD2 LEU A 81 3.113 3.070 -4.672 1.00 65.34 C ATOM 0 H LEU A 81 -0.208 4.067 -6.385 1.00 72.01 H new ATOM 0 HA LEU A 81 1.334 1.788 -6.069 1.00 51.11 H new ATOM 0 HB2 LEU A 81 0.611 3.944 -4.459 1.00 20.14 H new ATOM 0 HB3 LEU A 81 -0.126 2.587 -3.631 1.00 20.14 H new ATOM 0 HG LEU A 81 2.330 2.833 -2.845 1.00 42.12 H new ATOM 0 HD11 LEU A 81 2.958 0.631 -3.100 1.00 1.23 H new ATOM 0 HD12 LEU A 81 1.225 0.768 -2.718 1.00 1.23 H new ATOM 0 HD13 LEU A 81 1.743 0.378 -4.375 1.00 1.23 H new ATOM 0 HD21 LEU A 81 4.093 2.772 -4.299 1.00 65.34 H new ATOM 0 HD22 LEU A 81 3.001 2.738 -5.704 1.00 65.34 H new ATOM 0 HD23 LEU A 81 3.023 4.155 -4.628 1.00 65.34 H new ATOM 1291 N MET A 82 -1.884 1.333 -5.397 1.00 0.31 N ATOM 1292 CA MET A 82 -2.909 0.328 -5.209 1.00 74.44 C ATOM 1293 C MET A 82 -2.850 -0.707 -6.326 1.00 25.14 C ATOM 1294 O MET A 82 -2.830 -1.908 -6.036 1.00 2.25 O ATOM 1295 CB MET A 82 -4.313 0.941 -5.107 1.00 63.25 C ATOM 1296 CG MET A 82 -4.530 1.771 -3.836 1.00 34.53 C ATOM 1297 SD MET A 82 -5.868 1.122 -2.794 1.00 73.00 S ATOM 1298 CE MET A 82 -4.920 0.376 -1.452 1.00 33.23 C ATOM 0 H MET A 82 -2.237 2.290 -5.413 1.00 0.31 H new ATOM 0 HA MET A 82 -2.709 -0.166 -4.258 1.00 74.44 H new ATOM 0 HB2 MET A 82 -4.489 1.573 -5.978 1.00 63.25 H new ATOM 0 HB3 MET A 82 -5.053 0.141 -5.139 1.00 63.25 H new ATOM 0 HG2 MET A 82 -3.605 1.794 -3.260 1.00 34.53 H new ATOM 0 HG3 MET A 82 -4.758 2.800 -4.114 1.00 34.53 H new ATOM 0 HE1 MET A 82 -5.528 -0.379 -0.953 1.00 33.23 H new ATOM 0 HE2 MET A 82 -4.022 -0.091 -1.857 1.00 33.23 H new ATOM 0 HE3 MET A 82 -4.637 1.146 -0.735 1.00 33.23 H new ATOM 1308 N HIS A 83 -2.774 -0.247 -7.580 1.00 54.02 N ATOM 1309 CA HIS A 83 -2.802 -1.144 -8.724 1.00 4.45 C ATOM 1310 C HIS A 83 -1.592 -2.067 -8.758 1.00 31.10 C ATOM 1311 O HIS A 83 -1.758 -3.233 -9.106 1.00 3.43 O ATOM 1312 CB HIS A 83 -2.910 -0.376 -10.049 1.00 34.32 C ATOM 1313 CG HIS A 83 -3.520 -1.190 -11.176 1.00 52.11 C ATOM 1314 ND1 HIS A 83 -3.404 -0.930 -12.524 1.00 21.11 N ATOM 1315 CD2 HIS A 83 -4.305 -2.307 -11.056 1.00 61.55 C ATOM 1316 CE1 HIS A 83 -4.112 -1.851 -13.197 1.00 41.01 C ATOM 1317 NE2 HIS A 83 -4.718 -2.688 -12.338 1.00 71.31 N ATOM 0 H HIS A 83 -2.693 0.741 -7.821 1.00 54.02 H new ATOM 0 HA HIS A 83 -3.695 -1.757 -8.606 1.00 4.45 H new ATOM 0 HB2 HIS A 83 -3.511 0.519 -9.892 1.00 34.32 H new ATOM 0 HB3 HIS A 83 -1.916 -0.044 -10.349 1.00 34.32 H new ATOM 0 HD2 HIS A 83 -4.560 -2.806 -10.133 1.00 61.55 H new ATOM 0 HE1 HIS A 83 -4.184 -1.911 -14.273 1.00 41.01 H new ATOM 0 HE2 HIS A 83 -5.353 -3.450 -12.574 1.00 71.31 H new ATOM 1325 N PHE A 84 -0.407 -1.577 -8.362 1.00 75.34 N ATOM 1326 CA PHE A 84 0.826 -2.366 -8.350 1.00 54.25 C ATOM 1327 C PHE A 84 0.592 -3.694 -7.643 1.00 25.21 C ATOM 1328 O PHE A 84 1.090 -4.732 -8.088 1.00 2.11 O ATOM 1329 CB PHE A 84 1.961 -1.613 -7.634 1.00 64.14 C ATOM 1330 CG PHE A 84 3.306 -2.326 -7.622 1.00 63.43 C ATOM 1331 CD1 PHE A 84 3.523 -3.452 -6.798 1.00 74.53 C ATOM 1332 CD2 PHE A 84 4.371 -1.834 -8.399 1.00 15.44 C ATOM 1333 CE1 PHE A 84 4.783 -4.065 -6.737 1.00 54.11 C ATOM 1334 CE2 PHE A 84 5.630 -2.451 -8.338 1.00 23.23 C ATOM 1335 CZ PHE A 84 5.840 -3.557 -7.503 1.00 51.24 C ATOM 0 H PHE A 84 -0.281 -0.617 -8.040 1.00 75.34 H new ATOM 0 HA PHE A 84 1.116 -2.541 -9.386 1.00 54.25 H new ATOM 0 HB2 PHE A 84 2.088 -0.641 -8.111 1.00 64.14 H new ATOM 0 HB3 PHE A 84 1.658 -1.426 -6.604 1.00 64.14 H new ATOM 0 HD1 PHE A 84 2.709 -3.846 -6.208 1.00 74.53 H new ATOM 0 HD2 PHE A 84 4.219 -0.980 -9.043 1.00 15.44 H new ATOM 0 HE1 PHE A 84 4.938 -4.925 -6.102 1.00 54.11 H new ATOM 0 HE2 PHE A 84 6.443 -2.071 -8.939 1.00 23.23 H new ATOM 0 HZ PHE A 84 6.816 -4.017 -7.450 1.00 51.24 H new ATOM 1345 N ALA A 85 -0.111 -3.661 -6.505 1.00 4.41 N ATOM 1346 CA ALA A 85 -0.360 -4.875 -5.754 1.00 13.01 C ATOM 1347 C ALA A 85 -1.145 -5.869 -6.603 1.00 72.31 C ATOM 1348 O ALA A 85 -0.677 -6.986 -6.799 1.00 13.14 O ATOM 1349 CB ALA A 85 -1.095 -4.552 -4.464 1.00 63.44 C ATOM 0 H ALA A 85 -0.508 -2.815 -6.097 1.00 4.41 H new ATOM 0 HA ALA A 85 0.593 -5.335 -5.493 1.00 13.01 H new ATOM 0 HB1 ALA A 85 -1.276 -5.472 -3.908 1.00 63.44 H new ATOM 0 HB2 ALA A 85 -0.490 -3.877 -3.860 1.00 63.44 H new ATOM 0 HB3 ALA A 85 -2.047 -4.075 -4.697 1.00 63.44 H new ATOM 1355 N THR A 86 -2.303 -5.466 -7.122 1.00 11.02 N ATOM 1356 CA THR A 86 -3.201 -6.320 -7.884 1.00 4.21 C ATOM 1357 C THR A 86 -2.517 -6.845 -9.155 1.00 62.55 C ATOM 1358 O THR A 86 -2.625 -8.032 -9.469 1.00 44.02 O ATOM 1359 CB THR A 86 -4.477 -5.525 -8.212 1.00 72.34 C ATOM 1360 OG1 THR A 86 -4.812 -4.596 -7.188 1.00 30.00 O ATOM 1361 CG2 THR A 86 -5.659 -6.472 -8.410 1.00 54.32 C ATOM 0 H THR A 86 -2.648 -4.512 -7.020 1.00 11.02 H new ATOM 0 HA THR A 86 -3.469 -7.194 -7.291 1.00 4.21 H new ATOM 0 HB THR A 86 -4.271 -4.973 -9.129 1.00 72.34 H new ATOM 0 HG1 THR A 86 -5.627 -4.113 -7.439 1.00 30.00 H new ATOM 0 HG21 THR A 86 -6.554 -5.894 -8.641 1.00 54.32 H new ATOM 0 HG22 THR A 86 -5.445 -7.154 -9.233 1.00 54.32 H new ATOM 0 HG23 THR A 86 -5.823 -7.045 -7.497 1.00 54.32 H new ATOM 1369 N GLU A 87 -1.747 -6.001 -9.843 1.00 54.14 N ATOM 1370 CA GLU A 87 -0.976 -6.332 -11.034 1.00 51.24 C ATOM 1371 C GLU A 87 -0.010 -7.490 -10.764 1.00 74.55 C ATOM 1372 O GLU A 87 0.170 -8.377 -11.600 1.00 74.43 O ATOM 1373 CB GLU A 87 -0.203 -5.070 -11.444 1.00 63.54 C ATOM 1374 CG GLU A 87 -1.062 -4.021 -12.160 1.00 52.32 C ATOM 1375 CD GLU A 87 -0.632 -3.834 -13.611 1.00 51.33 C ATOM 1376 OE1 GLU A 87 0.461 -3.269 -13.863 1.00 2.51 O ATOM 1377 OE2 GLU A 87 -1.398 -4.245 -14.507 1.00 74.13 O ATOM 0 H GLU A 87 -1.642 -5.024 -9.570 1.00 54.14 H new ATOM 0 HA GLU A 87 -1.642 -6.655 -11.834 1.00 51.24 H new ATOM 0 HB2 GLU A 87 0.236 -4.620 -10.554 1.00 63.54 H new ATOM 0 HB3 GLU A 87 0.622 -5.357 -12.096 1.00 63.54 H new ATOM 0 HG2 GLU A 87 -2.109 -4.324 -12.127 1.00 52.32 H new ATOM 0 HG3 GLU A 87 -0.989 -3.070 -11.633 1.00 52.32 H new ATOM 1384 N ASN A 88 0.588 -7.513 -9.573 1.00 13.13 N ATOM 1385 CA ASN A 88 1.533 -8.542 -9.142 1.00 40.54 C ATOM 1386 C ASN A 88 0.860 -9.577 -8.232 1.00 40.34 C ATOM 1387 O ASN A 88 1.534 -10.420 -7.642 1.00 60.24 O ATOM 1388 CB ASN A 88 2.745 -7.864 -8.493 1.00 13.22 C ATOM 1389 CG ASN A 88 3.500 -7.021 -9.510 1.00 2.11 C ATOM 1390 OD1 ASN A 88 4.089 -7.540 -10.457 1.00 43.25 O ATOM 1391 ND2 ASN A 88 3.473 -5.707 -9.379 1.00 23.14 N ATOM 0 H ASN A 88 0.424 -6.798 -8.864 1.00 13.13 H new ATOM 0 HA ASN A 88 1.885 -9.106 -10.006 1.00 40.54 H new ATOM 0 HB2 ASN A 88 2.416 -7.236 -7.665 1.00 13.22 H new ATOM 0 HB3 ASN A 88 3.410 -8.620 -8.075 1.00 13.22 H new ATOM 0 HD21 ASN A 88 3.942 -5.116 -10.065 1.00 23.14 H new ATOM 0 HD22 ASN A 88 2.983 -5.283 -8.591 1.00 23.14 H new ATOM 1398 N GLN A 89 -0.472 -9.519 -8.113 1.00 74.04 N ATOM 1399 CA GLN A 89 -1.329 -10.336 -7.258 1.00 3.43 C ATOM 1400 C GLN A 89 -0.864 -10.375 -5.789 1.00 24.10 C ATOM 1401 O GLN A 89 -1.173 -11.328 -5.064 1.00 51.42 O ATOM 1402 CB GLN A 89 -1.494 -11.731 -7.882 1.00 73.23 C ATOM 1403 CG GLN A 89 -2.121 -11.722 -9.289 1.00 24.32 C ATOM 1404 CD GLN A 89 -3.629 -11.496 -9.238 1.00 11.22 C ATOM 1405 OE1 GLN A 89 -4.367 -12.353 -8.766 1.00 61.33 O ATOM 1406 NE2 GLN A 89 -4.135 -10.365 -9.703 1.00 33.44 N ATOM 0 H GLN A 89 -1.016 -8.847 -8.655 1.00 74.04 H new ATOM 0 HA GLN A 89 -2.311 -9.866 -7.210 1.00 3.43 H new ATOM 0 HB2 GLN A 89 -0.517 -12.211 -7.935 1.00 73.23 H new ATOM 0 HB3 GLN A 89 -2.114 -12.340 -7.224 1.00 73.23 H new ATOM 0 HG2 GLN A 89 -1.657 -10.939 -9.888 1.00 24.32 H new ATOM 0 HG3 GLN A 89 -1.912 -12.670 -9.786 1.00 24.32 H new ATOM 0 HE21 GLN A 89 -3.518 -9.654 -10.095 1.00 33.44 H new ATOM 0 HE22 GLN A 89 -5.142 -10.205 -9.669 1.00 33.44 H new ATOM 1415 N LEU A 90 -0.132 -9.354 -5.338 1.00 22.35 N ATOM 1416 CA LEU A 90 0.418 -9.236 -3.993 1.00 1.54 C ATOM 1417 C LEU A 90 -0.699 -9.009 -2.983 1.00 33.14 C ATOM 1418 O LEU A 90 -1.679 -8.325 -3.288 1.00 54.34 O ATOM 1419 CB LEU A 90 1.433 -8.086 -3.921 1.00 44.32 C ATOM 1420 CG LEU A 90 2.697 -8.323 -4.768 1.00 11.55 C ATOM 1421 CD1 LEU A 90 3.568 -7.064 -4.801 1.00 64.21 C ATOM 1422 CD2 LEU A 90 3.539 -9.498 -4.264 1.00 3.22 C ATOM 0 H LEU A 90 0.101 -8.555 -5.928 1.00 22.35 H new ATOM 0 HA LEU A 90 0.930 -10.167 -3.751 1.00 1.54 H new ATOM 0 HB2 LEU A 90 0.951 -7.166 -4.253 1.00 44.32 H new ATOM 0 HB3 LEU A 90 1.725 -7.936 -2.882 1.00 44.32 H new ATOM 0 HG LEU A 90 2.348 -8.567 -5.772 1.00 11.55 H new ATOM 0 HD11 LEU A 90 4.456 -7.252 -5.404 1.00 64.21 H new ATOM 0 HD12 LEU A 90 3.001 -6.241 -5.236 1.00 64.21 H new ATOM 0 HD13 LEU A 90 3.867 -6.802 -3.786 1.00 64.21 H new ATOM 0 HD21 LEU A 90 4.416 -9.616 -4.900 1.00 3.22 H new ATOM 0 HD22 LEU A 90 3.857 -9.305 -3.240 1.00 3.22 H new ATOM 0 HD23 LEU A 90 2.944 -10.411 -4.293 1.00 3.22 H new ATOM 1434 N ASN A 91 -0.542 -9.567 -1.782 1.00 3.44 N ATOM 1435 CA ASN A 91 -1.494 -9.379 -0.691 1.00 0.41 C ATOM 1436 C ASN A 91 -1.434 -7.925 -0.228 1.00 65.15 C ATOM 1437 O ASN A 91 -0.345 -7.410 0.047 1.00 75.34 O ATOM 1438 CB ASN A 91 -1.181 -10.311 0.486 1.00 40.53 C ATOM 1439 CG ASN A 91 -2.389 -10.508 1.394 1.00 43.04 C ATOM 1440 OD1 ASN A 91 -3.284 -9.675 1.475 1.00 61.31 O ATOM 1441 ND2 ASN A 91 -2.435 -11.618 2.096 1.00 70.32 N ATOM 0 H ASN A 91 0.250 -10.162 -1.540 1.00 3.44 H new ATOM 0 HA ASN A 91 -2.494 -9.620 -1.052 1.00 0.41 H new ATOM 0 HB2 ASN A 91 -0.852 -11.278 0.105 1.00 40.53 H new ATOM 0 HB3 ASN A 91 -0.355 -9.899 1.066 1.00 40.53 H new ATOM 0 HD21 ASN A 91 -3.223 -11.795 2.719 1.00 70.32 H new ATOM 0 HD22 ASN A 91 -1.683 -12.302 2.018 1.00 70.32 H new ATOM 1448 N ILE A 92 -2.578 -7.253 -0.170 1.00 52.22 N ATOM 1449 CA ILE A 92 -2.686 -5.889 0.320 1.00 14.13 C ATOM 1450 C ILE A 92 -3.043 -6.007 1.794 1.00 12.02 C ATOM 1451 O ILE A 92 -4.118 -6.526 2.117 1.00 54.53 O ATOM 1452 CB ILE A 92 -3.752 -5.095 -0.461 1.00 64.03 C ATOM 1453 CG1 ILE A 92 -3.447 -5.159 -1.974 1.00 62.42 C ATOM 1454 CG2 ILE A 92 -3.773 -3.631 0.035 1.00 74.24 C ATOM 1455 CD1 ILE A 92 -4.602 -4.671 -2.843 1.00 75.32 C ATOM 0 H ILE A 92 -3.469 -7.649 -0.468 1.00 52.22 H new ATOM 0 HA ILE A 92 -1.754 -5.341 0.183 1.00 14.13 H new ATOM 0 HB ILE A 92 -4.735 -5.534 -0.290 1.00 64.03 H new ATOM 0 HG12 ILE A 92 -2.563 -4.557 -2.185 1.00 62.42 H new ATOM 0 HG13 ILE A 92 -3.206 -6.187 -2.246 1.00 62.42 H new ATOM 0 HG21 ILE A 92 -4.527 -3.070 -0.518 1.00 74.24 H new ATOM 0 HG22 ILE A 92 -4.012 -3.610 1.098 1.00 74.24 H new ATOM 0 HG23 ILE A 92 -2.794 -3.178 -0.125 1.00 74.24 H new ATOM 0 HD11 ILE A 92 -4.322 -4.742 -3.894 1.00 75.32 H new ATOM 0 HD12 ILE A 92 -5.482 -5.288 -2.659 1.00 75.32 H new ATOM 0 HD13 ILE A 92 -4.829 -3.633 -2.598 1.00 75.32 H new ATOM 1467 N LEU A 93 -2.147 -5.555 2.667 1.00 20.12 N ATOM 1468 CA LEU A 93 -2.378 -5.420 4.081 1.00 12.54 C ATOM 1469 C LEU A 93 -2.550 -3.949 4.448 1.00 62.00 C ATOM 1470 O LEU A 93 -2.328 -3.040 3.644 1.00 15.32 O ATOM 1471 CB LEU A 93 -1.194 -5.957 4.899 1.00 33.14 C ATOM 1472 CG LEU A 93 -0.525 -7.249 4.450 1.00 3.03 C ATOM 1473 CD1 LEU A 93 0.739 -7.494 5.285 1.00 22.22 C ATOM 1474 CD2 LEU A 93 -1.449 -8.465 4.460 1.00 41.43 C ATOM 0 H LEU A 93 -1.210 -5.265 2.387 1.00 20.12 H new ATOM 0 HA LEU A 93 -3.277 -5.992 4.311 1.00 12.54 H new ATOM 0 HB2 LEU A 93 -0.430 -5.180 4.925 1.00 33.14 H new ATOM 0 HB3 LEU A 93 -1.537 -6.101 5.924 1.00 33.14 H new ATOM 0 HG LEU A 93 -0.252 -7.116 3.403 1.00 3.03 H new ATOM 0 HD11 LEU A 93 1.215 -8.419 4.961 1.00 22.22 H new ATOM 0 HD12 LEU A 93 1.431 -6.663 5.150 1.00 22.22 H new ATOM 0 HD13 LEU A 93 0.470 -7.574 6.338 1.00 22.22 H new ATOM 0 HD21 LEU A 93 -0.897 -9.344 4.128 1.00 41.43 H new ATOM 0 HD22 LEU A 93 -1.821 -8.631 5.471 1.00 41.43 H new ATOM 0 HD23 LEU A 93 -2.289 -8.289 3.789 1.00 41.43 H new ATOM 1486 N ASP A 94 -2.855 -3.744 5.721 1.00 52.31 N ATOM 1487 CA ASP A 94 -2.958 -2.444 6.382 1.00 41.20 C ATOM 1488 C ASP A 94 -1.698 -2.139 7.202 1.00 41.24 C ATOM 1489 O ASP A 94 -0.718 -2.881 7.163 1.00 65.20 O ATOM 1490 CB ASP A 94 -4.205 -2.353 7.275 1.00 64.15 C ATOM 1491 CG ASP A 94 -4.000 -2.912 8.683 1.00 20.51 C ATOM 1492 OD1 ASP A 94 -3.664 -4.102 8.847 1.00 43.54 O ATOM 1493 OD2 ASP A 94 -4.081 -2.105 9.640 1.00 65.14 O ATOM 0 H ASP A 94 -3.048 -4.518 6.357 1.00 52.31 H new ATOM 0 HA ASP A 94 -3.053 -1.696 5.595 1.00 41.20 H new ATOM 0 HB2 ASP A 94 -4.511 -1.310 7.350 1.00 64.15 H new ATOM 0 HB3 ASP A 94 -5.023 -2.891 6.796 1.00 64.15 H new ATOM 1498 N ALA A 95 -1.726 -1.034 7.951 1.00 1.35 N ATOM 1499 CA ALA A 95 -0.620 -0.593 8.803 1.00 51.44 C ATOM 1500 C ALA A 95 -0.323 -1.570 9.950 1.00 74.44 C ATOM 1501 O ALA A 95 0.786 -1.547 10.495 1.00 63.00 O ATOM 1502 CB ALA A 95 -0.900 0.801 9.390 1.00 64.45 C ATOM 0 H ALA A 95 -2.532 -0.410 7.983 1.00 1.35 H new ATOM 0 HA ALA A 95 0.258 -0.556 8.158 1.00 51.44 H new ATOM 0 HB1 ALA A 95 -0.064 1.106 10.019 1.00 64.45 H new ATOM 0 HB2 ALA A 95 -1.025 1.519 8.579 1.00 64.45 H new ATOM 0 HB3 ALA A 95 -1.811 0.768 9.988 1.00 64.45 H new ATOM 1508 N GLU A 96 -1.287 -2.385 10.380 1.00 1.11 N ATOM 1509 CA GLU A 96 -1.077 -3.475 11.332 1.00 13.31 C ATOM 1510 C GLU A 96 -0.533 -4.715 10.616 1.00 0.53 C ATOM 1511 O GLU A 96 0.296 -5.428 11.178 1.00 35.44 O ATOM 1512 CB GLU A 96 -2.397 -3.821 12.027 1.00 42.05 C ATOM 1513 CG GLU A 96 -2.915 -2.715 12.949 1.00 50.22 C ATOM 1514 CD GLU A 96 -4.232 -3.060 13.650 1.00 42.43 C ATOM 1515 OE1 GLU A 96 -4.840 -4.121 13.357 1.00 1.33 O ATOM 1516 OE2 GLU A 96 -4.641 -2.245 14.513 1.00 25.42 O ATOM 0 H GLU A 96 -2.255 -2.304 10.070 1.00 1.11 H new ATOM 0 HA GLU A 96 -0.349 -3.150 12.076 1.00 13.31 H new ATOM 0 HB2 GLU A 96 -3.151 -4.033 11.270 1.00 42.05 H new ATOM 0 HB3 GLU A 96 -2.263 -4.733 12.608 1.00 42.05 H new ATOM 0 HG2 GLU A 96 -2.158 -2.500 13.703 1.00 50.22 H new ATOM 0 HG3 GLU A 96 -3.052 -1.804 12.366 1.00 50.22 H new ATOM 1523 N GLY A 97 -0.918 -4.948 9.362 1.00 24.12 N ATOM 1524 CA GLY A 97 -0.483 -6.080 8.552 1.00 73.24 C ATOM 1525 C GLY A 97 -1.562 -7.158 8.426 1.00 62.42 C ATOM 1526 O GLY A 97 -1.243 -8.295 8.071 1.00 13.42 O ATOM 0 H GLY A 97 -1.563 -4.332 8.867 1.00 24.12 H new ATOM 0 HA2 GLY A 97 -0.208 -5.727 7.558 1.00 73.24 H new ATOM 0 HA3 GLY A 97 0.413 -6.516 8.994 1.00 73.24 H new ATOM 1530 N ASN A 98 -2.820 -6.823 8.716 1.00 34.33 N ATOM 1531 CA ASN A 98 -3.978 -7.641 8.362 1.00 22.21 C ATOM 1532 C ASN A 98 -4.242 -7.444 6.875 1.00 33.34 C ATOM 1533 O ASN A 98 -4.159 -6.307 6.416 1.00 33.14 O ATOM 1534 CB ASN A 98 -5.244 -7.155 9.083 1.00 44.41 C ATOM 1535 CG ASN A 98 -5.087 -6.930 10.573 1.00 52.31 C ATOM 1536 OD1 ASN A 98 -5.184 -7.846 11.392 1.00 23.42 O ATOM 1537 ND2 ASN A 98 -4.873 -5.682 10.928 1.00 54.35 N ATOM 0 H ASN A 98 -3.065 -5.965 9.210 1.00 34.33 H new ATOM 0 HA ASN A 98 -3.767 -8.675 8.634 1.00 22.21 H new ATOM 0 HB2 ASN A 98 -5.571 -6.223 8.623 1.00 44.41 H new ATOM 0 HB3 ASN A 98 -6.038 -7.885 8.923 1.00 44.41 H new ATOM 0 HD21 ASN A 98 -4.781 -5.441 11.915 1.00 54.35 H new ATOM 0 HD22 ASN A 98 -4.799 -4.955 10.217 1.00 54.35 H new ATOM 1544 N SER A 99 -4.640 -8.485 6.144 1.00 32.30 N ATOM 1545 CA SER A 99 -5.141 -8.339 4.780 1.00 34.34 C ATOM 1546 C SER A 99 -6.400 -7.453 4.757 1.00 42.04 C ATOM 1547 O SER A 99 -7.265 -7.606 5.622 1.00 74.11 O ATOM 1548 CB SER A 99 -5.397 -9.718 4.165 1.00 22.52 C ATOM 1549 OG SER A 99 -5.787 -10.704 5.117 1.00 62.21 O ATOM 0 H SER A 99 -4.624 -9.448 6.480 1.00 32.30 H new ATOM 0 HA SER A 99 -4.387 -7.840 4.172 1.00 34.34 H new ATOM 0 HB2 SER A 99 -6.175 -9.630 3.407 1.00 22.52 H new ATOM 0 HB3 SER A 99 -4.493 -10.053 3.657 1.00 22.52 H new ATOM 0 HG SER A 99 -5.936 -11.558 4.661 1.00 62.21 H new ATOM 1555 N ILE A 100 -6.526 -6.577 3.759 1.00 10.03 N ATOM 1556 CA ILE A 100 -7.696 -5.738 3.485 1.00 20.34 C ATOM 1557 C ILE A 100 -7.960 -5.743 1.975 1.00 14.44 C ATOM 1558 O ILE A 100 -7.071 -6.073 1.184 1.00 74.34 O ATOM 1559 CB ILE A 100 -7.496 -4.292 4.010 1.00 72.44 C ATOM 1560 CG1 ILE A 100 -6.085 -3.739 3.704 1.00 62.40 C ATOM 1561 CG2 ILE A 100 -7.814 -4.204 5.511 1.00 31.00 C ATOM 1562 CD1 ILE A 100 -5.979 -2.222 3.869 1.00 44.21 C ATOM 0 H ILE A 100 -5.776 -6.425 3.084 1.00 10.03 H new ATOM 0 HA ILE A 100 -8.559 -6.146 4.011 1.00 20.34 H new ATOM 0 HB ILE A 100 -8.202 -3.659 3.471 1.00 72.44 H new ATOM 0 HG12 ILE A 100 -5.363 -4.220 4.364 1.00 62.40 H new ATOM 0 HG13 ILE A 100 -5.811 -4.006 2.683 1.00 62.40 H new ATOM 0 HG21 ILE A 100 -7.666 -3.180 5.855 1.00 31.00 H new ATOM 0 HG22 ILE A 100 -8.850 -4.498 5.681 1.00 31.00 H new ATOM 0 HG23 ILE A 100 -7.152 -4.871 6.063 1.00 31.00 H new ATOM 0 HD11 ILE A 100 -4.963 -1.901 3.639 1.00 44.21 H new ATOM 0 HD12 ILE A 100 -6.677 -1.732 3.190 1.00 44.21 H new ATOM 0 HD13 ILE A 100 -6.221 -1.950 4.896 1.00 44.21 H new ATOM 1574 N ASP A 101 -9.171 -5.361 1.559 1.00 22.14 N ATOM 1575 CA ASP A 101 -9.442 -4.990 0.169 1.00 21.22 C ATOM 1576 C ASP A 101 -8.925 -3.578 -0.076 1.00 73.15 C ATOM 1577 O ASP A 101 -8.808 -2.757 0.828 1.00 34.24 O ATOM 1578 CB ASP A 101 -10.937 -5.012 -0.173 1.00 62.45 C ATOM 1579 CG ASP A 101 -11.373 -6.295 -0.873 1.00 55.31 C ATOM 1580 OD1 ASP A 101 -11.169 -6.398 -2.107 1.00 43.34 O ATOM 1581 OD2 ASP A 101 -11.914 -7.185 -0.182 1.00 31.45 O ATOM 0 H ASP A 101 -9.984 -5.301 2.171 1.00 22.14 H new ATOM 0 HA ASP A 101 -8.940 -5.724 -0.461 1.00 21.22 H new ATOM 0 HB2 ASP A 101 -11.515 -4.891 0.743 1.00 62.45 H new ATOM 0 HB3 ASP A 101 -11.170 -4.160 -0.812 1.00 62.45 H new ATOM 1586 N ALA A 102 -8.692 -3.284 -1.346 1.00 3.33 N ATOM 1587 CA ALA A 102 -8.216 -1.994 -1.832 1.00 22.33 C ATOM 1588 C ALA A 102 -9.346 -0.969 -1.876 1.00 21.43 C ATOM 1589 O ALA A 102 -9.090 0.232 -1.799 1.00 22.34 O ATOM 1590 CB ALA A 102 -7.656 -2.181 -3.243 1.00 43.41 C ATOM 0 H ALA A 102 -8.834 -3.961 -2.096 1.00 3.33 H new ATOM 0 HA ALA A 102 -7.447 -1.626 -1.153 1.00 22.33 H new ATOM 0 HB1 ALA A 102 -7.296 -1.224 -3.621 1.00 43.41 H new ATOM 0 HB2 ALA A 102 -6.832 -2.894 -3.216 1.00 43.41 H new ATOM 0 HB3 ALA A 102 -8.441 -2.558 -3.899 1.00 43.41 H new ATOM 1596 N ALA A 103 -10.592 -1.427 -2.032 1.00 13.00 N ATOM 1597 CA ALA A 103 -11.767 -0.568 -2.071 1.00 4.45 C ATOM 1598 C ALA A 103 -11.874 0.247 -0.789 1.00 44.21 C ATOM 1599 O ALA A 103 -12.130 1.446 -0.829 1.00 52.42 O ATOM 1600 CB ALA A 103 -13.026 -1.419 -2.256 1.00 33.41 C ATOM 0 H ALA A 103 -10.810 -2.418 -2.136 1.00 13.00 H new ATOM 0 HA ALA A 103 -11.671 0.119 -2.912 1.00 4.45 H new ATOM 0 HB1 ALA A 103 -13.902 -0.771 -2.284 1.00 33.41 H new ATOM 0 HB2 ALA A 103 -12.955 -1.975 -3.191 1.00 33.41 H new ATOM 0 HB3 ALA A 103 -13.118 -2.118 -1.425 1.00 33.41 H new ATOM 1606 N GLN A 104 -11.606 -0.404 0.343 1.00 40.34 N ATOM 1607 CA GLN A 104 -11.778 0.151 1.674 1.00 20.42 C ATOM 1608 C GLN A 104 -10.811 1.306 1.959 1.00 15.42 C ATOM 1609 O GLN A 104 -10.976 1.979 2.979 1.00 52.21 O ATOM 1610 CB GLN A 104 -11.617 -0.982 2.705 1.00 72.22 C ATOM 1611 CG GLN A 104 -12.581 -2.151 2.427 1.00 71.21 C ATOM 1612 CD GLN A 104 -13.403 -2.527 3.649 1.00 24.43 C ATOM 1613 OE1 GLN A 104 -14.485 -1.991 3.864 1.00 53.05 O ATOM 1614 NE2 GLN A 104 -12.952 -3.500 4.418 1.00 22.25 N ATOM 0 H GLN A 104 -11.253 -1.361 0.353 1.00 40.34 H new ATOM 0 HA GLN A 104 -12.778 0.578 1.746 1.00 20.42 H new ATOM 0 HB2 GLN A 104 -10.590 -1.346 2.687 1.00 72.22 H new ATOM 0 HB3 GLN A 104 -11.799 -0.591 3.706 1.00 72.22 H new ATOM 0 HG2 GLN A 104 -13.251 -1.880 1.611 1.00 71.21 H new ATOM 0 HG3 GLN A 104 -12.010 -3.018 2.096 1.00 71.21 H new ATOM 0 HE21 GLN A 104 -12.049 -3.930 4.219 1.00 22.25 H new ATOM 0 HE22 GLN A 104 -13.507 -3.822 5.211 1.00 22.25 H new ATOM 1623 N VAL A 105 -9.830 1.552 1.086 1.00 63.34 N ATOM 1624 CA VAL A 105 -8.720 2.462 1.340 1.00 14.43 C ATOM 1625 C VAL A 105 -8.895 3.751 0.541 1.00 65.41 C ATOM 1626 O VAL A 105 -8.717 4.854 1.057 1.00 43.33 O ATOM 1627 CB VAL A 105 -7.394 1.761 0.989 1.00 30.15 C ATOM 1628 CG1 VAL A 105 -6.202 2.588 1.472 1.00 20.51 C ATOM 1629 CG2 VAL A 105 -7.282 0.353 1.591 1.00 13.10 C ATOM 0 H VAL A 105 -9.788 1.113 0.166 1.00 63.34 H new ATOM 0 HA VAL A 105 -8.703 2.730 2.396 1.00 14.43 H new ATOM 0 HB VAL A 105 -7.384 1.669 -0.097 1.00 30.15 H new ATOM 0 HG11 VAL A 105 -5.275 2.075 1.214 1.00 20.51 H new ATOM 0 HG12 VAL A 105 -6.220 3.567 0.993 1.00 20.51 H new ATOM 0 HG13 VAL A 105 -6.259 2.712 2.553 1.00 20.51 H new ATOM 0 HG21 VAL A 105 -6.326 -0.089 1.308 1.00 13.10 H new ATOM 0 HG22 VAL A 105 -7.346 0.416 2.677 1.00 13.10 H new ATOM 0 HG23 VAL A 105 -8.094 -0.269 1.215 1.00 13.10 H new ATOM 1639 N THR A 106 -9.223 3.635 -0.742 1.00 23.14 N ATOM 1640 CA THR A 106 -9.216 4.775 -1.651 1.00 32.04 C ATOM 1641 C THR A 106 -10.384 5.739 -1.420 1.00 54.14 C ATOM 1642 O THR A 106 -10.350 6.852 -1.952 1.00 34.34 O ATOM 1643 CB THR A 106 -9.128 4.267 -3.103 1.00 22.33 C ATOM 1644 OG1 THR A 106 -9.793 3.020 -3.233 1.00 41.01 O ATOM 1645 CG2 THR A 106 -7.654 4.112 -3.496 1.00 42.12 C ATOM 0 H THR A 106 -9.499 2.755 -1.178 1.00 23.14 H new ATOM 0 HA THR A 106 -8.331 5.376 -1.441 1.00 32.04 H new ATOM 0 HB THR A 106 -9.611 4.988 -3.762 1.00 22.33 H new ATOM 0 HG1 THR A 106 -9.730 2.711 -4.161 1.00 41.01 H new ATOM 0 HG21 THR A 106 -7.587 3.753 -4.523 1.00 42.12 H new ATOM 0 HG22 THR A 106 -7.153 5.077 -3.416 1.00 42.12 H new ATOM 0 HG23 THR A 106 -7.173 3.396 -2.829 1.00 42.12 H new ATOM 1653 N GLU A 107 -11.371 5.356 -0.608 1.00 2.41 N ATOM 1654 CA GLU A 107 -12.615 6.085 -0.364 1.00 63.44 C ATOM 1655 C GLU A 107 -12.576 6.953 0.898 1.00 54.23 C ATOM 1656 O GLU A 107 -13.573 7.599 1.240 1.00 22.23 O ATOM 1657 CB GLU A 107 -13.779 5.079 -0.302 1.00 53.52 C ATOM 1658 CG GLU A 107 -13.638 4.086 0.862 1.00 30.15 C ATOM 1659 CD GLU A 107 -14.890 3.235 1.074 1.00 42.23 C ATOM 1660 OE1 GLU A 107 -15.415 2.645 0.100 1.00 65.54 O ATOM 1661 OE2 GLU A 107 -15.331 3.166 2.244 1.00 64.12 O ATOM 0 H GLU A 107 -11.321 4.486 -0.077 1.00 2.41 H new ATOM 0 HA GLU A 107 -12.758 6.780 -1.192 1.00 63.44 H new ATOM 0 HB2 GLU A 107 -14.719 5.622 -0.200 1.00 53.52 H new ATOM 0 HB3 GLU A 107 -13.829 4.528 -1.241 1.00 53.52 H new ATOM 0 HG2 GLU A 107 -12.788 3.431 0.673 1.00 30.15 H new ATOM 0 HG3 GLU A 107 -13.419 4.636 1.777 1.00 30.15 H new ATOM 1668 N ILE A 108 -11.451 6.935 1.610 1.00 21.35 N ATOM 1669 CA ILE A 108 -11.242 7.674 2.847 1.00 41.21 C ATOM 1670 C ILE A 108 -10.901 9.101 2.429 1.00 62.22 C ATOM 1671 O ILE A 108 -11.839 9.895 2.183 1.00 53.42 O ATOM 1672 CB ILE A 108 -10.157 6.998 3.723 1.00 71.21 C ATOM 1673 CG1 ILE A 108 -10.339 5.473 3.910 1.00 34.41 C ATOM 1674 CG2 ILE A 108 -10.153 7.668 5.108 1.00 22.20 C ATOM 1675 CD1 ILE A 108 -9.076 4.812 4.476 1.00 4.43 C ATOM 0 H ILE A 108 -10.637 6.388 1.331 1.00 21.35 H new ATOM 0 HA ILE A 108 -12.128 7.684 3.481 1.00 41.21 H new ATOM 0 HB ILE A 108 -9.213 7.130 3.195 1.00 71.21 H new ATOM 0 HG12 ILE A 108 -11.178 5.287 4.581 1.00 34.41 H new ATOM 0 HG13 ILE A 108 -10.589 5.017 2.952 1.00 34.41 H new ATOM 0 HG21 ILE A 108 -9.393 7.202 5.736 1.00 22.20 H new ATOM 0 HG22 ILE A 108 -9.931 8.730 4.998 1.00 22.20 H new ATOM 0 HG23 ILE A 108 -11.132 7.548 5.573 1.00 22.20 H new ATOM 0 HD11 ILE A 108 -9.246 3.742 4.592 1.00 4.43 H new ATOM 0 HD12 ILE A 108 -8.243 4.975 3.793 1.00 4.43 H new ATOM 0 HD13 ILE A 108 -8.840 5.249 5.446 1.00 4.43 H new TER 1687 ILE A 108