USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 THR OG1 : rot 180:sc= 0.0106 USER MOD Set 1.2: A 95 ASN : amide:sc= 0.445 K(o=0.46,f=-1.8) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -112:sc= -2.21 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -143:sc= -1 (180deg=-3.03!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 117 GLN : amide:sc= -1 X(o=-1,f=-0.69) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 18.365 5.663 -0.583 1.00 0.00 N ATOM 2 CA ALA A 47 17.224 6.613 -0.460 1.00 0.00 C ATOM 3 C ALA A 47 17.551 7.890 -1.225 1.00 0.00 C ATOM 4 O ALA A 47 18.644 8.444 -1.100 1.00 0.00 O ATOM 5 CB ALA A 47 16.947 6.966 1.004 1.00 0.00 C ATOM 0 HA ALA A 47 16.336 6.135 -0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.109 7.661 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.703 6.059 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 47 17.832 7.430 1.440 1.00 0.00 H new ATOM 13 N GLY A 48 16.589 8.352 -2.020 1.00 0.00 N ATOM 14 CA GLY A 48 16.781 9.567 -2.806 1.00 0.00 C ATOM 15 C GLY A 48 15.582 9.818 -3.713 1.00 0.00 C ATOM 16 O GLY A 48 14.924 10.854 -3.626 1.00 0.00 O ATOM 0 H GLY A 48 15.678 7.909 -2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.924 10.418 -2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.686 9.478 -3.407 1.00 0.00 H new ATOM 20 N ALA A 49 15.306 8.854 -4.586 1.00 0.00 N ATOM 21 CA ALA A 49 14.181 8.975 -5.509 1.00 0.00 C ATOM 22 C ALA A 49 13.492 7.624 -5.685 1.00 0.00 C ATOM 23 O ALA A 49 13.687 6.932 -6.686 1.00 0.00 O ATOM 24 CB ALA A 49 14.659 9.479 -6.873 1.00 0.00 C ATOM 0 H ALA A 49 15.839 7.989 -4.674 1.00 0.00 H new ATOM 0 HA ALA A 49 13.474 9.690 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.808 9.563 -7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.128 10.456 -6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.383 8.777 -7.287 1.00 0.00 H new ATOM 30 N GLY A 50 12.682 7.255 -4.696 1.00 0.00 N ATOM 31 CA GLY A 50 11.967 5.983 -4.745 1.00 0.00 C ATOM 32 C GLY A 50 11.337 5.664 -3.394 1.00 0.00 C ATOM 33 O GLY A 50 11.394 4.530 -2.917 1.00 0.00 O ATOM 0 H GLY A 50 12.506 7.812 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.193 6.025 -5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.654 5.185 -5.029 1.00 0.00 H new ATOM 37 N LYS A 51 10.733 6.680 -2.782 1.00 0.00 N ATOM 38 CA LYS A 51 10.091 6.502 -1.483 1.00 0.00 C ATOM 39 C LYS A 51 8.973 7.523 -1.298 1.00 0.00 C ATOM 40 O LYS A 51 9.082 8.669 -1.732 1.00 0.00 O ATOM 41 CB LYS A 51 11.109 6.666 -0.352 1.00 0.00 C ATOM 42 CG LYS A 51 11.854 7.992 -0.520 1.00 0.00 C ATOM 43 CD LYS A 51 12.183 8.572 0.856 1.00 0.00 C ATOM 44 CE LYS A 51 12.141 10.100 0.790 1.00 0.00 C ATOM 45 NZ LYS A 51 12.626 10.713 2.058 1.00 0.00 N ATOM 0 H LYS A 51 10.675 7.626 -3.160 1.00 0.00 H new ATOM 0 HA LYS A 51 9.674 5.495 -1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.603 6.642 0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.816 5.836 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.771 7.836 -1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.243 8.695 -1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.469 8.210 1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.170 8.238 1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.755 10.447 -0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.121 10.429 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.585 11.749 1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.025 10.401 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.608 10.418 2.233 1.00 0.00 H new ATOM 59 N ALA A 52 7.896 7.091 -0.648 1.00 0.00 N ATOM 60 CA ALA A 52 6.757 7.975 -0.410 1.00 0.00 C ATOM 61 C ALA A 52 7.173 9.161 0.454 1.00 0.00 C ATOM 62 O ALA A 52 8.298 9.225 0.948 1.00 0.00 O ATOM 63 CB ALA A 52 5.630 7.218 0.293 1.00 0.00 C ATOM 0 H ALA A 52 7.787 6.146 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 52 6.404 8.336 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.790 7.891 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.307 6.385 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.989 6.837 1.249 1.00 0.00 H new ATOM 69 N GLY A 53 6.249 10.101 0.629 1.00 0.00 N ATOM 70 CA GLY A 53 6.524 11.287 1.437 1.00 0.00 C ATOM 71 C GLY A 53 5.227 11.973 1.851 1.00 0.00 C ATOM 72 O GLY A 53 4.874 12.005 3.029 1.00 0.00 O ATOM 0 H GLY A 53 5.312 10.067 0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.091 11.005 2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.144 11.982 0.871 1.00 0.00 H new ATOM 76 N GLU A 54 4.521 12.521 0.866 1.00 0.00 N ATOM 77 CA GLU A 54 3.260 13.207 1.136 1.00 0.00 C ATOM 78 C GLU A 54 2.195 12.779 0.132 1.00 0.00 C ATOM 79 O GLU A 54 2.219 13.181 -1.031 1.00 0.00 O ATOM 80 CB GLU A 54 3.445 14.723 1.049 1.00 0.00 C ATOM 81 CG GLU A 54 2.391 15.418 1.913 1.00 0.00 C ATOM 82 CD GLU A 54 2.721 16.902 2.024 1.00 0.00 C ATOM 83 OE1 GLU A 54 3.867 17.215 2.298 1.00 0.00 O ATOM 84 OE2 GLU A 54 1.822 17.704 1.832 1.00 0.00 O ATOM 0 H GLU A 54 4.796 12.505 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 54 2.940 12.938 2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.445 14.998 1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.356 15.052 0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.402 15.287 1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.363 14.966 2.904 1.00 0.00 H new ATOM 91 N GLY A 55 1.257 11.957 0.595 1.00 0.00 N ATOM 92 CA GLY A 55 0.182 11.476 -0.269 1.00 0.00 C ATOM 93 C GLY A 55 0.262 9.964 -0.443 1.00 0.00 C ATOM 94 O GLY A 55 -0.718 9.248 -0.234 1.00 0.00 O ATOM 0 H GLY A 55 1.219 11.612 1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.783 11.747 0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.247 11.962 -1.242 1.00 0.00 H new ATOM 98 N GLU A 56 1.440 9.486 -0.830 1.00 0.00 N ATOM 99 CA GLU A 56 1.641 8.053 -1.031 1.00 0.00 C ATOM 100 C GLU A 56 1.960 7.368 0.294 1.00 0.00 C ATOM 101 O GLU A 56 2.795 7.837 1.067 1.00 0.00 O ATOM 102 CB GLU A 56 2.792 7.805 -2.009 1.00 0.00 C ATOM 103 CG GLU A 56 2.518 8.547 -3.319 1.00 0.00 C ATOM 104 CD GLU A 56 3.838 8.843 -4.022 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.545 9.726 -3.565 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.124 8.182 -5.008 1.00 0.00 O ATOM 0 H GLU A 56 2.263 10.062 -1.009 1.00 0.00 H new ATOM 0 HA GLU A 56 0.720 7.639 -1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.732 8.146 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.898 6.737 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.878 7.945 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.984 9.476 -3.118 1.00 0.00 H new ATOM 113 N ILE A 57 1.283 6.251 0.547 1.00 0.00 N ATOM 114 CA ILE A 57 1.498 5.504 1.783 1.00 0.00 C ATOM 115 C ILE A 57 2.773 4.658 1.676 1.00 0.00 C ATOM 116 O ILE A 57 2.864 3.779 0.818 1.00 0.00 O ATOM 117 CB ILE A 57 0.310 4.578 2.060 1.00 0.00 C ATOM 118 CG1 ILE A 57 -0.989 5.386 2.018 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.468 3.945 3.444 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.185 4.432 2.005 1.00 0.00 C ATOM 0 H ILE A 57 0.588 5.846 -0.080 1.00 0.00 H new ATOM 0 HA ILE A 57 1.600 6.219 2.599 1.00 0.00 H new ATOM 0 HB ILE A 57 0.277 3.795 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.047 6.046 2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.007 6.020 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.377 3.286 3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.393 3.369 3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.501 4.729 4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.110 5.008 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.129 3.790 1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.170 3.817 2.905 1.00 0.00 H new ATOM 132 N PRO A 58 3.775 4.904 2.536 1.00 0.00 N ATOM 133 CA PRO A 58 5.033 4.143 2.507 1.00 0.00 C ATOM 134 C PRO A 58 4.859 2.715 3.016 1.00 0.00 C ATOM 135 O PRO A 58 4.171 2.473 4.008 1.00 0.00 O ATOM 136 CB PRO A 58 5.961 4.928 3.431 1.00 0.00 C ATOM 137 CG PRO A 58 5.055 5.659 4.359 1.00 0.00 C ATOM 138 CD PRO A 58 3.786 5.925 3.603 1.00 0.00 C ATOM 0 HA PRO A 58 5.416 4.041 1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.630 4.262 3.976 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.588 5.618 2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.856 5.067 5.252 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.511 6.592 4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.912 5.835 4.248 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.774 6.933 3.189 1.00 0.00 H new ATOM 146 N ALA A 59 5.492 1.771 2.325 1.00 0.00 N ATOM 147 CA ALA A 59 5.404 0.366 2.714 1.00 0.00 C ATOM 148 C ALA A 59 6.199 0.117 3.997 1.00 0.00 C ATOM 149 O ALA A 59 7.217 0.766 4.239 1.00 0.00 O ATOM 150 CB ALA A 59 5.952 -0.532 1.604 1.00 0.00 C ATOM 0 H ALA A 59 6.066 1.950 1.501 1.00 0.00 H new ATOM 0 HA ALA A 59 4.354 0.129 2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.879 -1.575 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.372 -0.380 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.996 -0.282 1.416 1.00 0.00 H new ATOM 156 N PRO A 60 5.746 -0.827 4.834 1.00 0.00 N ATOM 157 CA PRO A 60 6.431 -1.152 6.095 1.00 0.00 C ATOM 158 C PRO A 60 7.741 -1.906 5.870 1.00 0.00 C ATOM 159 O PRO A 60 8.656 -1.844 6.690 1.00 0.00 O ATOM 160 CB PRO A 60 5.431 -2.033 6.840 1.00 0.00 C ATOM 161 CG PRO A 60 4.580 -2.639 5.779 1.00 0.00 C ATOM 162 CD PRO A 60 4.544 -1.660 4.640 1.00 0.00 C ATOM 0 HA PRO A 60 6.710 -0.252 6.642 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.940 -2.801 7.423 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.833 -1.447 7.538 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.990 -3.595 5.454 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.575 -2.834 6.154 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.565 -2.170 3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.636 -1.058 4.662 1.00 0.00 H new ATOM 170 N LEU A 61 7.818 -2.619 4.750 1.00 0.00 N ATOM 171 CA LEU A 61 9.020 -3.383 4.427 1.00 0.00 C ATOM 172 C LEU A 61 9.033 -3.758 2.948 1.00 0.00 C ATOM 173 O LEU A 61 8.075 -3.498 2.219 1.00 0.00 O ATOM 174 CB LEU A 61 9.084 -4.660 5.265 1.00 0.00 C ATOM 175 CG LEU A 61 7.839 -5.547 5.205 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.930 -6.477 3.993 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.749 -6.385 6.483 1.00 0.00 C ATOM 0 H LEU A 61 7.072 -2.684 4.058 1.00 0.00 H new ATOM 0 HA LEU A 61 9.885 -2.758 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.943 -5.246 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.263 -4.384 6.304 1.00 0.00 H new ATOM 0 HG LEU A 61 6.952 -4.920 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.042 -7.108 3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.995 -5.882 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.817 -7.104 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.862 -7.018 6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.637 -7.011 6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.683 -5.724 7.347 1.00 0.00 H new ATOM 189 N ALA A 62 10.129 -4.373 2.515 1.00 0.00 N ATOM 190 CA ALA A 62 10.260 -4.782 1.119 1.00 0.00 C ATOM 191 C ALA A 62 9.718 -6.194 0.925 1.00 0.00 C ATOM 192 O ALA A 62 10.433 -7.181 1.102 1.00 0.00 O ATOM 193 CB ALA A 62 11.728 -4.748 0.687 1.00 0.00 C ATOM 0 H ALA A 62 10.932 -4.598 3.103 1.00 0.00 H new ATOM 0 HA ALA A 62 9.686 -4.085 0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.808 -5.056 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.116 -3.736 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.307 -5.429 1.311 1.00 0.00 H new ATOM 199 N GLY A 63 8.442 -6.279 0.557 1.00 0.00 N ATOM 200 CA GLY A 63 7.806 -7.576 0.339 1.00 0.00 C ATOM 201 C GLY A 63 7.199 -7.651 -1.058 1.00 0.00 C ATOM 202 O GLY A 63 7.735 -7.092 -2.015 1.00 0.00 O ATOM 0 H GLY A 63 7.833 -5.475 0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.540 -8.372 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.030 -7.736 1.087 1.00 0.00 H new ATOM 206 N THR A 64 6.072 -8.350 -1.165 1.00 0.00 N ATOM 207 CA THR A 64 5.396 -8.494 -2.451 1.00 0.00 C ATOM 208 C THR A 64 3.891 -8.320 -2.283 1.00 0.00 C ATOM 209 O THR A 64 3.302 -8.784 -1.307 1.00 0.00 O ATOM 210 CB THR A 64 5.675 -9.875 -3.050 1.00 0.00 C ATOM 211 OG1 THR A 64 7.074 -10.124 -3.034 1.00 0.00 O ATOM 212 CG2 THR A 64 5.163 -9.921 -4.491 1.00 0.00 C ATOM 0 H THR A 64 5.612 -8.821 -0.386 1.00 0.00 H new ATOM 0 HA THR A 64 5.778 -7.724 -3.121 1.00 0.00 H new ATOM 0 HB THR A 64 5.164 -10.636 -2.461 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.253 -11.009 -3.416 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.362 -10.905 -4.917 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.090 -9.731 -4.502 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.672 -9.160 -5.082 1.00 0.00 H new ATOM 220 N VAL A 65 3.273 -7.646 -3.249 1.00 0.00 N ATOM 221 CA VAL A 65 1.832 -7.415 -3.201 1.00 0.00 C ATOM 222 C VAL A 65 1.082 -8.720 -3.448 1.00 0.00 C ATOM 223 O VAL A 65 1.334 -9.424 -4.427 1.00 0.00 O ATOM 224 CB VAL A 65 1.414 -6.387 -4.256 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.061 -6.027 -4.066 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.267 -5.125 -4.105 1.00 0.00 C ATOM 0 H VAL A 65 3.741 -7.254 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 65 1.583 -7.032 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 65 1.560 -6.810 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.357 -5.295 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.671 -6.924 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.207 -5.605 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.970 -4.393 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.121 -4.704 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.318 -5.378 -4.241 1.00 0.00 H new ATOM 236 N SER A 66 0.158 -9.038 -2.546 1.00 0.00 N ATOM 237 CA SER A 66 -0.624 -10.264 -2.671 1.00 0.00 C ATOM 238 C SER A 66 -1.998 -9.967 -3.266 1.00 0.00 C ATOM 239 O SER A 66 -2.397 -10.562 -4.267 1.00 0.00 O ATOM 240 CB SER A 66 -0.806 -10.925 -1.304 1.00 0.00 C ATOM 241 OG SER A 66 -1.163 -9.936 -0.349 1.00 0.00 O ATOM 0 H SER A 66 -0.066 -8.471 -1.729 1.00 0.00 H new ATOM 0 HA SER A 66 -0.082 -10.940 -3.333 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.579 -11.691 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.116 -11.423 -1.002 1.00 0.00 H new ATOM 0 HG SER A 66 -0.431 -9.821 0.292 1.00 0.00 H new ATOM 247 N LYS A 67 -2.717 -9.042 -2.635 1.00 0.00 N ATOM 248 CA LYS A 67 -4.049 -8.677 -3.110 1.00 0.00 C ATOM 249 C LYS A 67 -4.367 -7.227 -2.753 1.00 0.00 C ATOM 250 O LYS A 67 -3.920 -6.713 -1.728 1.00 0.00 O ATOM 251 CB LYS A 67 -5.107 -9.589 -2.484 1.00 0.00 C ATOM 252 CG LYS A 67 -6.465 -9.325 -3.138 1.00 0.00 C ATOM 253 CD LYS A 67 -7.398 -10.508 -2.874 1.00 0.00 C ATOM 254 CE LYS A 67 -8.837 -10.005 -2.750 1.00 0.00 C ATOM 255 NZ LYS A 67 -9.624 -10.836 -1.795 1.00 0.00 N ATOM 0 H LYS A 67 -2.406 -8.538 -1.805 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.063 -8.793 -4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.825 -10.634 -2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.168 -9.409 -1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.901 -8.409 -2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.341 -9.178 -4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.323 -11.232 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.101 -11.022 -1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.834 -8.968 -2.415 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.316 -10.022 -3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.595 -10.469 -1.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.647 -11.821 -2.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.180 -10.799 -0.855 1.00 0.00 H new ATOM 269 N ILE A 68 -5.148 -6.579 -3.612 1.00 0.00 N ATOM 270 CA ILE A 68 -5.529 -5.187 -3.381 1.00 0.00 C ATOM 271 C ILE A 68 -6.959 -5.114 -2.853 1.00 0.00 C ATOM 272 O ILE A 68 -7.865 -5.758 -3.383 1.00 0.00 O ATOM 273 CB ILE A 68 -5.433 -4.382 -4.680 1.00 0.00 C ATOM 274 CG1 ILE A 68 -4.048 -4.578 -5.302 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.649 -2.898 -4.380 1.00 0.00 C ATOM 276 CD1 ILE A 68 -4.072 -4.112 -6.759 1.00 0.00 C ATOM 0 H ILE A 68 -5.527 -6.989 -4.466 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.845 -4.765 -2.645 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.197 -4.727 -5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.303 -4.014 -4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.759 -5.628 -5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.580 -2.326 -5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.635 -2.756 -3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.886 -2.553 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.086 -4.252 -7.202 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.806 -4.695 -7.316 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.342 -3.057 -6.799 1.00 0.00 H new ATOM 288 N LEU A 69 -7.149 -4.325 -1.801 1.00 0.00 N ATOM 289 CA LEU A 69 -8.473 -4.177 -1.204 1.00 0.00 C ATOM 290 C LEU A 69 -9.143 -2.896 -1.690 1.00 0.00 C ATOM 291 O LEU A 69 -10.305 -2.902 -2.095 1.00 0.00 O ATOM 292 CB LEU A 69 -8.371 -4.137 0.321 1.00 0.00 C ATOM 293 CG LEU A 69 -8.080 -5.481 0.994 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.627 -5.242 2.436 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.348 -6.336 0.994 1.00 0.00 C ATOM 0 H LEU A 69 -6.413 -3.783 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.073 -5.035 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.586 -3.434 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.306 -3.744 0.721 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.292 -5.998 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.420 -6.199 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.724 -4.632 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.415 -4.725 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.141 -7.293 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.136 -5.819 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.672 -6.507 -0.033 1.00 0.00 H new ATOM 307 N VAL A 70 -8.398 -1.795 -1.646 1.00 0.00 N ATOM 308 CA VAL A 70 -8.936 -0.509 -2.084 1.00 0.00 C ATOM 309 C VAL A 70 -8.463 -0.184 -3.498 1.00 0.00 C ATOM 310 O VAL A 70 -7.352 -0.537 -3.894 1.00 0.00 O ATOM 311 CB VAL A 70 -8.499 0.610 -1.135 1.00 0.00 C ATOM 312 CG1 VAL A 70 -9.054 0.338 0.263 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.969 0.668 -1.071 1.00 0.00 C ATOM 0 H VAL A 70 -7.433 -1.765 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.024 -0.581 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.881 1.562 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.743 1.134 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.143 0.301 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.673 -0.616 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.663 1.466 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.584 -0.284 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.570 0.864 -2.066 1.00 0.00 H new ATOM 323 N LYS A 71 -9.320 0.498 -4.249 1.00 0.00 N ATOM 324 CA LYS A 71 -8.986 0.876 -5.618 1.00 0.00 C ATOM 325 C LYS A 71 -9.420 2.312 -5.886 1.00 0.00 C ATOM 326 O LYS A 71 -10.210 2.888 -5.139 1.00 0.00 O ATOM 327 CB LYS A 71 -9.681 -0.053 -6.616 1.00 0.00 C ATOM 328 CG LYS A 71 -11.183 -0.079 -6.329 1.00 0.00 C ATOM 329 CD LYS A 71 -11.948 -0.322 -7.633 1.00 0.00 C ATOM 330 CE LYS A 71 -11.803 -1.788 -8.045 1.00 0.00 C ATOM 331 NZ LYS A 71 -10.470 -2.053 -8.657 1.00 0.00 N ATOM 0 H LYS A 71 -10.244 0.799 -3.937 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.906 0.791 -5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.501 0.290 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.268 -1.059 -6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.413 -0.864 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.495 0.865 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.001 -0.073 -7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.563 0.327 -8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.938 -2.427 -7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.589 -2.047 -8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.574 -2.738 -9.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.076 -1.165 -9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.828 -2.441 -7.936 1.00 0.00 H new ATOM 345 N GLU A 72 -8.893 2.886 -6.965 1.00 0.00 N ATOM 346 CA GLU A 72 -9.229 4.262 -7.330 1.00 0.00 C ATOM 347 C GLU A 72 -10.735 4.410 -7.541 1.00 0.00 C ATOM 348 O GLU A 72 -11.284 3.957 -8.545 1.00 0.00 O ATOM 349 CB GLU A 72 -8.507 4.666 -8.616 1.00 0.00 C ATOM 350 CG GLU A 72 -7.006 4.789 -8.343 1.00 0.00 C ATOM 351 CD GLU A 72 -6.224 4.352 -9.577 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.561 4.807 -10.658 1.00 0.00 O ATOM 353 OE2 GLU A 72 -5.303 3.569 -9.423 1.00 0.00 O ATOM 0 H GLU A 72 -8.238 2.426 -7.597 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.911 4.911 -6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.686 3.924 -9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.899 5.614 -8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.756 5.819 -8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.730 4.172 -7.488 1.00 0.00 H new ATOM 360 N GLY A 73 -11.392 5.049 -6.579 1.00 0.00 N ATOM 361 CA GLY A 73 -12.836 5.254 -6.660 1.00 0.00 C ATOM 362 C GLY A 73 -13.486 5.058 -5.295 1.00 0.00 C ATOM 363 O GLY A 73 -14.486 5.697 -4.969 1.00 0.00 O ATOM 0 H GLY A 73 -10.954 5.431 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.046 6.259 -7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.268 4.556 -7.377 1.00 0.00 H new ATOM 367 N ASP A 74 -12.904 4.165 -4.498 1.00 0.00 N ATOM 368 CA ASP A 74 -13.433 3.890 -3.164 1.00 0.00 C ATOM 369 C ASP A 74 -12.677 4.700 -2.116 1.00 0.00 C ATOM 370 O ASP A 74 -11.502 5.024 -2.288 1.00 0.00 O ATOM 371 CB ASP A 74 -13.302 2.403 -2.830 1.00 0.00 C ATOM 372 CG ASP A 74 -14.432 1.629 -3.501 1.00 0.00 C ATOM 373 OD1 ASP A 74 -14.383 1.476 -4.710 1.00 0.00 O ATOM 374 OD2 ASP A 74 -15.331 1.200 -2.795 1.00 0.00 O ATOM 0 H ASP A 74 -12.076 3.625 -4.748 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.486 4.172 -3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.337 2.027 -3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.338 2.257 -1.750 1.00 0.00 H new ATOM 379 N THR A 75 -13.367 5.023 -1.027 1.00 0.00 N ATOM 380 CA THR A 75 -12.755 5.797 0.049 1.00 0.00 C ATOM 381 C THR A 75 -12.246 4.871 1.149 1.00 0.00 C ATOM 382 O THR A 75 -12.776 3.779 1.355 1.00 0.00 O ATOM 383 CB THR A 75 -13.768 6.773 0.651 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.658 7.215 -0.365 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.032 7.975 1.245 1.00 0.00 C ATOM 0 H THR A 75 -14.340 4.764 -0.866 1.00 0.00 H new ATOM 0 HA THR A 75 -11.919 6.355 -0.373 1.00 0.00 H new ATOM 0 HB THR A 75 -14.333 6.272 1.437 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.309 7.839 0.019 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.755 8.669 1.673 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.350 7.635 2.024 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.466 8.479 0.461 1.00 0.00 H new ATOM 393 N VAL A 76 -11.209 5.319 1.851 1.00 0.00 N ATOM 394 CA VAL A 76 -10.631 4.523 2.930 1.00 0.00 C ATOM 395 C VAL A 76 -10.585 5.330 4.223 1.00 0.00 C ATOM 396 O VAL A 76 -10.795 6.543 4.223 1.00 0.00 O ATOM 397 CB VAL A 76 -9.213 4.081 2.569 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.265 3.112 1.387 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.380 5.307 2.186 1.00 0.00 C ATOM 0 H VAL A 76 -10.755 6.219 1.695 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.260 3.644 3.072 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.758 3.584 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.254 2.797 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.859 2.239 1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.720 3.608 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.368 4.993 1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.836 5.803 1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.342 5.999 3.028 1.00 0.00 H new ATOM 409 N LYS A 77 -10.308 4.641 5.327 1.00 0.00 N ATOM 410 CA LYS A 77 -10.235 5.301 6.628 1.00 0.00 C ATOM 411 C LYS A 77 -8.938 4.927 7.340 1.00 0.00 C ATOM 412 O LYS A 77 -8.364 3.865 7.097 1.00 0.00 O ATOM 413 CB LYS A 77 -11.424 4.894 7.503 1.00 0.00 C ATOM 414 CG LYS A 77 -11.838 6.074 8.385 1.00 0.00 C ATOM 415 CD LYS A 77 -12.436 5.550 9.692 1.00 0.00 C ATOM 416 CE LYS A 77 -11.307 5.133 10.638 1.00 0.00 C ATOM 417 NZ LYS A 77 -11.808 4.238 11.719 1.00 0.00 N ATOM 0 H LYS A 77 -10.132 3.637 5.348 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.261 6.378 6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.260 4.584 6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.156 4.039 8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.974 6.705 8.595 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.566 6.694 7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.050 6.321 10.158 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.089 4.701 9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.527 4.623 10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.853 6.020 11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.020 3.973 12.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.535 4.735 12.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.219 3.381 11.297 1.00 0.00 H new ATOM 431 N ALA A 78 -8.485 5.813 8.222 1.00 0.00 N ATOM 432 CA ALA A 78 -7.253 5.572 8.967 1.00 0.00 C ATOM 433 C ALA A 78 -7.388 4.322 9.834 1.00 0.00 C ATOM 434 O ALA A 78 -7.984 4.358 10.909 1.00 0.00 O ATOM 435 CB ALA A 78 -6.927 6.767 9.865 1.00 0.00 C ATOM 0 H ALA A 78 -8.947 6.696 8.437 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.448 5.429 8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.006 6.570 10.413 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.801 7.659 9.252 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.742 6.925 10.571 1.00 0.00 H new ATOM 441 N GLY A 79 -6.823 3.219 9.352 1.00 0.00 N ATOM 442 CA GLY A 79 -6.882 1.960 10.091 1.00 0.00 C ATOM 443 C GLY A 79 -7.425 0.839 9.212 1.00 0.00 C ATOM 444 O GLY A 79 -7.037 -0.321 9.351 1.00 0.00 O ATOM 0 H GLY A 79 -6.324 3.170 8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.887 1.697 10.449 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.516 2.079 10.970 1.00 0.00 H new ATOM 448 N GLN A 80 -8.329 1.198 8.305 1.00 0.00 N ATOM 449 CA GLN A 80 -8.926 0.214 7.406 1.00 0.00 C ATOM 450 C GLN A 80 -7.863 -0.389 6.491 1.00 0.00 C ATOM 451 O GLN A 80 -6.944 0.299 6.046 1.00 0.00 O ATOM 452 CB GLN A 80 -10.012 0.863 6.547 1.00 0.00 C ATOM 453 CG GLN A 80 -10.923 -0.221 5.966 1.00 0.00 C ATOM 454 CD GLN A 80 -12.019 0.430 5.130 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.808 1.225 5.640 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.118 0.136 3.863 1.00 0.00 N ATOM 0 H GLN A 80 -8.662 2.153 8.173 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.368 -0.573 8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.597 1.560 7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.557 1.440 5.742 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.342 -0.908 5.351 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.365 -0.809 6.770 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.464 -0.523 3.440 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.849 0.565 3.296 1.00 0.00 H new ATOM 465 N THR A 81 -8.004 -1.682 6.213 1.00 0.00 N ATOM 466 CA THR A 81 -7.054 -2.375 5.346 1.00 0.00 C ATOM 467 C THR A 81 -7.167 -1.853 3.918 1.00 0.00 C ATOM 468 O THR A 81 -8.265 -1.632 3.408 1.00 0.00 O ATOM 469 CB THR A 81 -7.324 -3.881 5.351 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.695 -4.289 6.660 1.00 0.00 O ATOM 471 CG2 THR A 81 -6.063 -4.630 4.919 1.00 0.00 C ATOM 0 H THR A 81 -8.759 -2.267 6.571 1.00 0.00 H new ATOM 0 HA THR A 81 -6.049 -2.188 5.725 1.00 0.00 H new ATOM 0 HB THR A 81 -8.133 -4.107 4.656 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.870 -5.253 6.665 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.257 -5.703 4.923 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.780 -4.317 3.914 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.251 -4.406 5.611 1.00 0.00 H new ATOM 479 N VAL A 82 -6.017 -1.650 3.281 1.00 0.00 N ATOM 480 CA VAL A 82 -5.999 -1.141 1.912 1.00 0.00 C ATOM 481 C VAL A 82 -5.378 -2.157 0.955 1.00 0.00 C ATOM 482 O VAL A 82 -5.777 -2.254 -0.206 1.00 0.00 O ATOM 483 CB VAL A 82 -5.199 0.161 1.838 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.921 1.250 2.633 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.807 -0.064 2.432 1.00 0.00 C ATOM 0 H VAL A 82 -5.097 -1.827 3.684 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.032 -0.958 1.616 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.106 0.472 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.351 2.178 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.914 1.410 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.014 0.940 3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.235 0.863 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.901 -0.375 3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.291 -0.841 1.867 1.00 0.00 H new ATOM 495 N LEU A 83 -4.394 -2.907 1.443 1.00 0.00 N ATOM 496 CA LEU A 83 -3.729 -3.899 0.601 1.00 0.00 C ATOM 497 C LEU A 83 -2.979 -4.922 1.451 1.00 0.00 C ATOM 498 O LEU A 83 -2.561 -4.636 2.572 1.00 0.00 O ATOM 499 CB LEU A 83 -2.738 -3.206 -0.338 1.00 0.00 C ATOM 500 CG LEU A 83 -1.906 -4.135 -1.233 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.665 -3.463 -2.588 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.558 -4.420 -0.564 1.00 0.00 C ATOM 0 H LEU A 83 -4.044 -2.850 2.399 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.493 -4.415 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.292 -2.517 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.056 -2.605 0.263 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.446 -5.070 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.074 -4.124 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.622 -3.259 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.127 -2.527 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.032 -5.080 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.020 -3.484 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.725 -4.900 0.400 1.00 0.00 H new ATOM 514 N VAL A 84 -2.811 -6.119 0.895 1.00 0.00 N ATOM 515 CA VAL A 84 -2.101 -7.185 1.598 1.00 0.00 C ATOM 516 C VAL A 84 -0.743 -7.424 0.945 1.00 0.00 C ATOM 517 O VAL A 84 -0.603 -7.340 -0.275 1.00 0.00 O ATOM 518 CB VAL A 84 -2.908 -8.486 1.562 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.243 -9.524 2.466 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.332 -8.219 2.058 1.00 0.00 C ATOM 0 H VAL A 84 -3.153 -6.374 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.964 -6.878 2.635 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.943 -8.862 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.817 -10.450 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.229 -9.716 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.208 -9.147 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.906 -9.145 2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.297 -7.842 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.808 -7.479 1.415 1.00 0.00 H new ATOM 530 N LEU A 85 0.258 -7.717 1.769 1.00 0.00 N ATOM 531 CA LEU A 85 1.604 -7.959 1.256 1.00 0.00 C ATOM 532 C LEU A 85 2.099 -9.343 1.672 1.00 0.00 C ATOM 533 O LEU A 85 1.476 -10.023 2.487 1.00 0.00 O ATOM 534 CB LEU A 85 2.574 -6.894 1.777 1.00 0.00 C ATOM 535 CG LEU A 85 3.587 -6.374 0.755 1.00 0.00 C ATOM 536 CD1 LEU A 85 2.919 -5.324 -0.136 1.00 0.00 C ATOM 537 CD2 LEU A 85 4.772 -5.740 1.488 1.00 0.00 C ATOM 0 H LEU A 85 0.166 -7.792 2.782 1.00 0.00 H new ATOM 0 HA LEU A 85 1.564 -7.908 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.994 -6.050 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.119 -7.307 2.626 1.00 0.00 H new ATOM 0 HG LEU A 85 3.940 -7.202 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.640 -4.953 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.075 -5.774 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.566 -4.496 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.494 -5.369 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.419 -4.912 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.248 -6.486 2.124 1.00 0.00 H new ATOM 549 N GLU A 86 3.230 -9.747 1.101 1.00 0.00 N ATOM 550 CA GLU A 86 3.809 -11.051 1.414 1.00 0.00 C ATOM 551 C GLU A 86 5.321 -10.938 1.576 1.00 0.00 C ATOM 552 O GLU A 86 6.036 -10.582 0.639 1.00 0.00 O ATOM 553 CB GLU A 86 3.502 -12.055 0.301 1.00 0.00 C ATOM 554 CG GLU A 86 2.145 -12.711 0.564 1.00 0.00 C ATOM 555 CD GLU A 86 2.348 -14.013 1.333 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.988 -13.972 2.371 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.858 -15.031 0.873 1.00 0.00 O ATOM 0 H GLU A 86 3.760 -9.197 0.425 1.00 0.00 H new ATOM 0 HA GLU A 86 3.368 -11.398 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.493 -11.551 -0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.282 -12.815 0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.507 -12.035 1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.636 -12.909 -0.379 1.00 0.00 H new ATOM 564 N ALA A 87 5.800 -11.246 2.778 1.00 0.00 N ATOM 565 CA ALA A 87 7.232 -11.177 3.058 1.00 0.00 C ATOM 566 C ALA A 87 7.621 -12.221 4.101 1.00 0.00 C ATOM 567 O ALA A 87 6.956 -12.373 5.125 1.00 0.00 O ATOM 568 CB ALA A 87 7.610 -9.789 3.578 1.00 0.00 C ATOM 0 H ALA A 87 5.225 -11.543 3.567 1.00 0.00 H new ATOM 0 HA ALA A 87 7.766 -11.374 2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.680 -9.756 3.781 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.360 -9.039 2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.060 -9.582 4.496 1.00 0.00 H new ATOM 574 N MET A 88 8.707 -12.939 3.825 1.00 0.00 N ATOM 575 CA MET A 88 9.183 -13.972 4.746 1.00 0.00 C ATOM 576 C MET A 88 8.120 -15.050 4.934 1.00 0.00 C ATOM 577 O MET A 88 7.991 -15.636 6.009 1.00 0.00 O ATOM 578 CB MET A 88 9.525 -13.363 6.108 1.00 0.00 C ATOM 579 CG MET A 88 10.584 -12.274 5.929 1.00 0.00 C ATOM 580 SD MET A 88 11.383 -11.943 7.519 1.00 0.00 S ATOM 581 CE MET A 88 11.513 -10.147 7.339 1.00 0.00 C ATOM 0 H MET A 88 9.270 -12.828 2.981 1.00 0.00 H new ATOM 0 HA MET A 88 10.080 -14.418 4.315 1.00 0.00 H new ATOM 0 HB2 MET A 88 8.629 -12.942 6.565 1.00 0.00 H new ATOM 0 HB3 MET A 88 9.894 -14.136 6.782 1.00 0.00 H new ATOM 0 HG2 MET A 88 11.326 -12.590 5.196 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.124 -11.364 5.545 1.00 0.00 H new ATOM 0 HE1 MET A 88 11.987 -9.726 8.226 1.00 0.00 H new ATOM 0 HE2 MET A 88 12.113 -9.912 6.460 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.517 -9.720 7.223 1.00 0.00 H new ATOM 591 N LYS A 89 7.358 -15.303 3.871 1.00 0.00 N ATOM 592 CA LYS A 89 6.302 -16.312 3.919 1.00 0.00 C ATOM 593 C LYS A 89 5.270 -15.959 4.986 1.00 0.00 C ATOM 594 O LYS A 89 4.694 -16.837 5.630 1.00 0.00 O ATOM 595 CB LYS A 89 6.889 -17.691 4.228 1.00 0.00 C ATOM 596 CG LYS A 89 7.722 -18.170 3.036 1.00 0.00 C ATOM 597 CD LYS A 89 6.838 -18.982 2.088 1.00 0.00 C ATOM 598 CE LYS A 89 7.688 -19.536 0.945 1.00 0.00 C ATOM 599 NZ LYS A 89 6.866 -19.786 -0.273 1.00 0.00 N ATOM 0 H LYS A 89 7.451 -14.828 2.973 1.00 0.00 H new ATOM 0 HA LYS A 89 5.819 -16.335 2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.510 -17.642 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.088 -18.401 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.148 -17.316 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.556 -18.779 3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.361 -19.799 2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.040 -18.354 1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.486 -18.832 0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.165 -20.464 1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.472 -20.161 -1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.120 -20.476 -0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.431 -18.895 -0.587 1.00 0.00 H new ATOM 613 N MET A 90 5.042 -14.661 5.164 1.00 0.00 N ATOM 614 CA MET A 90 4.076 -14.195 6.155 1.00 0.00 C ATOM 615 C MET A 90 3.226 -13.067 5.580 1.00 0.00 C ATOM 616 O MET A 90 3.744 -12.038 5.147 1.00 0.00 O ATOM 617 CB MET A 90 4.794 -13.690 7.408 1.00 0.00 C ATOM 618 CG MET A 90 5.156 -14.877 8.303 1.00 0.00 C ATOM 619 SD MET A 90 3.778 -15.231 9.423 1.00 0.00 S ATOM 620 CE MET A 90 4.171 -16.971 9.724 1.00 0.00 C ATOM 0 H MET A 90 5.507 -13.919 4.641 1.00 0.00 H new ATOM 0 HA MET A 90 3.434 -15.035 6.420 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.695 -13.144 7.128 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.155 -12.994 7.951 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.376 -15.753 7.692 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.056 -14.653 8.876 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.434 -17.398 10.404 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.154 -17.516 8.780 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.163 -17.048 10.170 1.00 0.00 H new ATOM 630 N GLU A 91 1.911 -13.274 5.581 1.00 0.00 N ATOM 631 CA GLU A 91 0.992 -12.268 5.056 1.00 0.00 C ATOM 632 C GLU A 91 1.077 -10.985 5.877 1.00 0.00 C ATOM 633 O GLU A 91 0.969 -11.006 7.102 1.00 0.00 O ATOM 634 CB GLU A 91 -0.447 -12.786 5.091 1.00 0.00 C ATOM 635 CG GLU A 91 -0.720 -13.624 3.840 1.00 0.00 C ATOM 636 CD GLU A 91 -0.450 -15.093 4.142 1.00 0.00 C ATOM 637 OE1 GLU A 91 -1.147 -15.643 4.978 1.00 0.00 O ATOM 638 OE2 GLU A 91 0.449 -15.648 3.532 1.00 0.00 O ATOM 0 H GLU A 91 1.462 -14.119 5.935 1.00 0.00 H new ATOM 0 HA GLU A 91 1.278 -12.059 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.606 -13.387 5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.144 -11.950 5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.753 -13.492 3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.086 -13.288 3.019 1.00 0.00 H new ATOM 645 N THR A 92 1.270 -9.866 5.183 1.00 0.00 N ATOM 646 CA THR A 92 1.368 -8.572 5.854 1.00 0.00 C ATOM 647 C THR A 92 0.193 -7.682 5.457 1.00 0.00 C ATOM 648 O THR A 92 0.089 -7.239 4.313 1.00 0.00 O ATOM 649 CB THR A 92 2.675 -7.870 5.478 1.00 0.00 C ATOM 650 OG1 THR A 92 3.688 -8.842 5.264 1.00 0.00 O ATOM 651 CG2 THR A 92 3.096 -6.932 6.611 1.00 0.00 C ATOM 0 H THR A 92 1.361 -9.828 4.168 1.00 0.00 H new ATOM 0 HA THR A 92 1.349 -8.746 6.930 1.00 0.00 H new ATOM 0 HB THR A 92 2.528 -7.291 4.566 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.525 -8.394 5.022 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.027 -6.432 6.343 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.318 -6.186 6.774 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.244 -7.508 7.524 1.00 0.00 H new ATOM 659 N GLU A 93 -0.691 -7.427 6.416 1.00 0.00 N ATOM 660 CA GLU A 93 -1.861 -6.591 6.159 1.00 0.00 C ATOM 661 C GLU A 93 -1.493 -5.112 6.244 1.00 0.00 C ATOM 662 O GLU A 93 -0.910 -4.659 7.229 1.00 0.00 O ATOM 663 CB GLU A 93 -2.965 -6.887 7.175 1.00 0.00 C ATOM 664 CG GLU A 93 -3.322 -8.374 7.122 1.00 0.00 C ATOM 665 CD GLU A 93 -4.762 -8.568 7.585 1.00 0.00 C ATOM 666 OE1 GLU A 93 -5.154 -7.904 8.530 1.00 0.00 O ATOM 667 OE2 GLU A 93 -5.450 -9.379 6.988 1.00 0.00 O ATOM 0 H GLU A 93 -0.622 -7.783 7.370 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.220 -6.818 5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.633 -6.617 8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.846 -6.283 6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.201 -8.752 6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.644 -8.944 7.757 1.00 0.00 H new ATOM 674 N ILE A 94 -1.846 -4.366 5.200 1.00 0.00 N ATOM 675 CA ILE A 94 -1.556 -2.936 5.165 1.00 0.00 C ATOM 676 C ILE A 94 -2.825 -2.136 5.443 1.00 0.00 C ATOM 677 O ILE A 94 -3.921 -2.526 5.040 1.00 0.00 O ATOM 678 CB ILE A 94 -0.999 -2.526 3.797 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.159 -3.458 3.402 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.502 -1.079 3.858 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.291 -3.378 4.435 1.00 0.00 C ATOM 0 H ILE A 94 -2.328 -4.724 4.375 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.810 -2.726 5.932 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.789 -2.605 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.202 -4.484 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.537 -3.181 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.106 -0.789 2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.329 -0.421 4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.284 -0.996 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.101 -4.044 4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.663 -2.355 4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.913 -3.678 5.412 1.00 0.00 H new ATOM 693 N ASN A 95 -2.664 -1.014 6.136 1.00 0.00 N ATOM 694 CA ASN A 95 -3.807 -0.166 6.464 1.00 0.00 C ATOM 695 C ASN A 95 -3.473 1.300 6.208 1.00 0.00 C ATOM 696 O ASN A 95 -2.324 1.721 6.341 1.00 0.00 O ATOM 697 CB ASN A 95 -4.200 -0.340 7.933 1.00 0.00 C ATOM 698 CG ASN A 95 -4.416 -1.819 8.231 1.00 0.00 C ATOM 699 OD1 ASN A 95 -3.458 -2.586 8.330 1.00 0.00 O ATOM 700 ND2 ASN A 95 -5.631 -2.272 8.379 1.00 0.00 N ATOM 0 H ASN A 95 -1.766 -0.673 6.478 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.641 -0.465 5.829 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.419 0.062 8.579 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.110 0.221 8.146 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.786 -3.261 8.577 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.425 -1.637 8.297 1.00 0.00 H new ATOM 707 N ALA A 96 -4.491 2.070 5.840 1.00 0.00 N ATOM 708 CA ALA A 96 -4.297 3.491 5.567 1.00 0.00 C ATOM 709 C ALA A 96 -3.851 4.220 6.839 1.00 0.00 C ATOM 710 O ALA A 96 -4.369 3.954 7.924 1.00 0.00 O ATOM 711 CB ALA A 96 -5.598 4.120 5.062 1.00 0.00 C ATOM 0 H ALA A 96 -5.449 1.740 5.724 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.527 3.588 4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.437 5.179 4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.911 3.622 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.374 4.007 5.819 1.00 0.00 H new ATOM 717 N PRO A 97 -2.885 5.145 6.728 1.00 0.00 N ATOM 718 CA PRO A 97 -2.388 5.897 7.889 1.00 0.00 C ATOM 719 C PRO A 97 -3.377 6.963 8.354 1.00 0.00 C ATOM 720 O PRO A 97 -3.453 7.286 9.539 1.00 0.00 O ATOM 721 CB PRO A 97 -1.104 6.548 7.385 1.00 0.00 C ATOM 722 CG PRO A 97 -1.272 6.654 5.908 1.00 0.00 C ATOM 723 CD PRO A 97 -2.195 5.545 5.487 1.00 0.00 C ATOM 0 HA PRO A 97 -2.236 5.248 8.752 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.957 7.529 7.836 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.231 5.946 7.640 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.687 7.625 5.636 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.310 6.566 5.404 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.903 5.884 4.731 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.642 4.711 5.054 1.00 0.00 H new ATOM 731 N THR A 98 -4.132 7.505 7.403 1.00 0.00 N ATOM 732 CA THR A 98 -5.115 8.536 7.721 1.00 0.00 C ATOM 733 C THR A 98 -6.336 8.405 6.816 1.00 0.00 C ATOM 734 O THR A 98 -6.292 7.734 5.784 1.00 0.00 O ATOM 735 CB THR A 98 -4.509 9.930 7.542 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.811 9.982 6.305 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.541 10.220 8.689 1.00 0.00 C ATOM 0 H THR A 98 -4.084 7.251 6.416 1.00 0.00 H new ATOM 0 HA THR A 98 -5.416 8.403 8.760 1.00 0.00 H new ATOM 0 HB THR A 98 -5.303 10.676 7.545 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.423 10.874 6.186 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.111 11.213 8.560 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.077 10.178 9.637 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.744 9.476 8.689 1.00 0.00 H new ATOM 745 N ASP A 99 -7.426 9.055 7.213 1.00 0.00 N ATOM 746 CA ASP A 99 -8.658 9.006 6.430 1.00 0.00 C ATOM 747 C ASP A 99 -8.476 9.743 5.108 1.00 0.00 C ATOM 748 O ASP A 99 -7.805 10.773 5.041 1.00 0.00 O ATOM 749 CB ASP A 99 -9.812 9.647 7.203 1.00 0.00 C ATOM 750 CG ASP A 99 -9.410 11.046 7.657 1.00 0.00 C ATOM 751 OD1 ASP A 99 -8.469 11.151 8.427 1.00 0.00 O ATOM 752 OD2 ASP A 99 -10.048 11.993 7.228 1.00 0.00 O ATOM 0 H ASP A 99 -7.483 9.616 8.063 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.891 7.959 6.235 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.700 9.699 6.573 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.070 9.034 8.066 1.00 0.00 H new ATOM 757 N GLY A 100 -9.083 9.202 4.056 1.00 0.00 N ATOM 758 CA GLY A 100 -8.984 9.815 2.734 1.00 0.00 C ATOM 759 C GLY A 100 -9.589 8.906 1.669 1.00 0.00 C ATOM 760 O GLY A 100 -10.363 7.999 1.973 1.00 0.00 O ATOM 0 H GLY A 100 -9.643 8.350 4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.499 10.776 2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.939 10.014 2.498 1.00 0.00 H new ATOM 764 N LYS A 101 -9.225 9.162 0.415 1.00 0.00 N ATOM 765 CA LYS A 101 -9.736 8.364 -0.695 1.00 0.00 C ATOM 766 C LYS A 101 -8.595 7.941 -1.616 1.00 0.00 C ATOM 767 O LYS A 101 -7.615 8.667 -1.787 1.00 0.00 O ATOM 768 CB LYS A 101 -10.757 9.166 -1.504 1.00 0.00 C ATOM 769 CG LYS A 101 -11.441 8.247 -2.518 1.00 0.00 C ATOM 770 CD LYS A 101 -12.833 8.792 -2.845 1.00 0.00 C ATOM 771 CE LYS A 101 -12.699 10.128 -3.578 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.017 10.814 -3.703 1.00 0.00 N ATOM 0 H LYS A 101 -8.585 9.908 0.144 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.216 7.478 -0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.499 9.606 -0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.262 9.989 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.842 8.181 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.520 7.238 -2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.378 8.079 -3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.408 8.924 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.002 10.771 -3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.279 9.960 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.892 11.717 -4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.674 10.209 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.405 10.995 -2.755 1.00 0.00 H new ATOM 786 N VAL A 102 -8.734 6.758 -2.208 1.00 0.00 N ATOM 787 CA VAL A 102 -7.708 6.244 -3.112 1.00 0.00 C ATOM 788 C VAL A 102 -7.775 6.970 -4.452 1.00 0.00 C ATOM 789 O VAL A 102 -8.686 6.749 -5.250 1.00 0.00 O ATOM 790 CB VAL A 102 -7.900 4.742 -3.345 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.710 4.189 -4.131 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.996 4.023 -1.998 1.00 0.00 C ATOM 0 H VAL A 102 -9.537 6.143 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.735 6.414 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.817 4.580 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.848 3.120 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.640 4.699 -5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.793 4.353 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.133 2.955 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.079 4.188 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.845 4.414 -1.437 1.00 0.00 H new ATOM 802 N GLU A 103 -6.800 7.844 -4.687 1.00 0.00 N ATOM 803 CA GLU A 103 -6.757 8.604 -5.934 1.00 0.00 C ATOM 804 C GLU A 103 -5.917 7.878 -6.982 1.00 0.00 C ATOM 805 O GLU A 103 -6.154 8.010 -8.184 1.00 0.00 O ATOM 806 CB GLU A 103 -6.164 9.995 -5.697 1.00 0.00 C ATOM 807 CG GLU A 103 -4.805 9.866 -5.006 1.00 0.00 C ATOM 808 CD GLU A 103 -4.052 11.189 -5.115 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.699 11.557 -6.224 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.837 11.812 -4.089 1.00 0.00 O ATOM 0 H GLU A 103 -6.037 8.043 -4.039 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.780 8.702 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.052 10.519 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.840 10.589 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.942 9.598 -3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.225 9.066 -5.467 1.00 0.00 H new ATOM 817 N LYS A 104 -4.934 7.109 -6.519 1.00 0.00 N ATOM 818 CA LYS A 104 -4.067 6.369 -7.433 1.00 0.00 C ATOM 819 C LYS A 104 -3.376 5.222 -6.703 1.00 0.00 C ATOM 820 O LYS A 104 -2.803 5.405 -5.629 1.00 0.00 O ATOM 821 CB LYS A 104 -3.004 7.296 -8.029 1.00 0.00 C ATOM 822 CG LYS A 104 -2.686 6.858 -9.460 1.00 0.00 C ATOM 823 CD LYS A 104 -2.395 8.091 -10.318 1.00 0.00 C ATOM 824 CE LYS A 104 -1.423 7.718 -11.438 1.00 0.00 C ATOM 825 NZ LYS A 104 -0.631 8.897 -11.887 1.00 0.00 N ATOM 0 H LYS A 104 -4.719 6.983 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.687 5.966 -8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.361 8.326 -8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.100 7.269 -7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.826 6.188 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.526 6.302 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.322 8.479 -10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.969 8.883 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.748 6.936 -11.090 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.978 7.308 -12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.018 8.610 -12.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.275 9.633 -12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.083 9.272 -11.087 1.00 0.00 H new ATOM 839 N VAL A 105 -3.437 4.036 -7.301 1.00 0.00 N ATOM 840 CA VAL A 105 -2.812 2.857 -6.704 1.00 0.00 C ATOM 841 C VAL A 105 -1.476 2.568 -7.383 1.00 0.00 C ATOM 842 O VAL A 105 -1.431 2.139 -8.536 1.00 0.00 O ATOM 843 CB VAL A 105 -3.721 1.633 -6.849 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.135 0.456 -6.058 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.115 1.965 -6.309 1.00 0.00 C ATOM 0 H VAL A 105 -3.908 3.865 -8.190 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.649 3.060 -5.646 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.792 1.361 -7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.785 -0.413 -6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.144 0.217 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.060 0.727 -5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.762 1.094 -6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.042 2.240 -5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.535 2.798 -6.873 1.00 0.00 H new ATOM 855 N LEU A 106 -0.388 2.811 -6.653 1.00 0.00 N ATOM 856 CA LEU A 106 0.955 2.575 -7.190 1.00 0.00 C ATOM 857 C LEU A 106 1.439 1.150 -6.897 1.00 0.00 C ATOM 858 O LEU A 106 2.636 0.917 -6.734 1.00 0.00 O ATOM 859 CB LEU A 106 1.947 3.568 -6.586 1.00 0.00 C ATOM 860 CG LEU A 106 1.609 5.045 -6.798 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.405 5.899 -5.810 1.00 0.00 C ATOM 862 CD2 LEU A 106 1.971 5.451 -8.228 1.00 0.00 C ATOM 0 H LEU A 106 -0.407 3.168 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 106 0.900 2.709 -8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.017 3.379 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.933 3.374 -7.009 1.00 0.00 H new ATOM 0 HG LEU A 106 0.542 5.199 -6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.164 6.951 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.148 5.611 -4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.472 5.744 -5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.730 6.503 -8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.037 5.295 -8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.404 4.844 -8.933 1.00 0.00 H new ATOM 874 N VAL A 107 0.507 0.200 -6.831 1.00 0.00 N ATOM 875 CA VAL A 107 0.868 -1.187 -6.557 1.00 0.00 C ATOM 876 C VAL A 107 -0.198 -2.127 -7.110 1.00 0.00 C ATOM 877 O VAL A 107 -1.396 -1.880 -6.972 1.00 0.00 O ATOM 878 CB VAL A 107 1.004 -1.423 -5.051 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.197 -0.631 -4.515 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.273 -0.958 -4.348 1.00 0.00 C ATOM 0 H VAL A 107 -0.491 0.364 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 107 1.824 -1.388 -7.040 1.00 0.00 H new ATOM 0 HB VAL A 107 1.160 -2.485 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.293 -0.799 -3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.107 -0.960 -5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.042 0.431 -4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.179 -1.125 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.427 0.104 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.124 -1.522 -4.730 1.00 0.00 H new ATOM 890 N LYS A 108 0.252 -3.210 -7.737 1.00 0.00 N ATOM 891 CA LYS A 108 -0.673 -4.184 -8.309 1.00 0.00 C ATOM 892 C LYS A 108 -0.403 -5.573 -7.737 1.00 0.00 C ATOM 893 O LYS A 108 0.519 -5.766 -6.944 1.00 0.00 O ATOM 894 CB LYS A 108 -0.524 -4.235 -9.831 1.00 0.00 C ATOM 895 CG LYS A 108 -1.185 -3.003 -10.450 1.00 0.00 C ATOM 896 CD LYS A 108 -1.468 -3.263 -11.931 1.00 0.00 C ATOM 897 CE LYS A 108 -0.149 -3.296 -12.705 1.00 0.00 C ATOM 898 NZ LYS A 108 -0.345 -2.900 -14.129 1.00 0.00 N ATOM 0 H LYS A 108 1.239 -3.434 -7.861 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.687 -3.875 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.531 -4.270 -10.103 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.984 -5.143 -10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.113 -2.774 -9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.535 -2.135 -10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.996 -4.209 -12.051 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.117 -2.483 -12.330 1.00 0.00 H new ATOM 0 HE2 LYS A 108 0.568 -2.624 -12.234 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.277 -4.298 -12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.567 -2.932 -14.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.011 -3.557 -14.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.728 -1.934 -14.171 1.00 0.00 H new ATOM 912 N GLU A 109 -1.221 -6.538 -8.149 1.00 0.00 N ATOM 913 CA GLU A 109 -1.064 -7.910 -7.673 1.00 0.00 C ATOM 914 C GLU A 109 0.214 -8.526 -8.232 1.00 0.00 C ATOM 915 O GLU A 109 0.606 -8.254 -9.367 1.00 0.00 O ATOM 916 CB GLU A 109 -2.259 -8.765 -8.100 1.00 0.00 C ATOM 917 CG GLU A 109 -3.449 -8.474 -7.184 1.00 0.00 C ATOM 918 CD GLU A 109 -4.736 -8.934 -7.860 1.00 0.00 C ATOM 919 OE1 GLU A 109 -5.035 -10.114 -7.780 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.405 -8.099 -8.447 1.00 0.00 O ATOM 0 H GLU A 109 -1.991 -6.399 -8.804 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.008 -7.884 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.522 -8.549 -9.135 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.999 -9.822 -8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.322 -8.988 -6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.501 -7.407 -6.966 1.00 0.00 H new ATOM 927 N ARG A 110 0.858 -9.361 -7.420 1.00 0.00 N ATOM 928 CA ARG A 110 2.095 -10.018 -7.837 1.00 0.00 C ATOM 929 C ARG A 110 3.169 -8.983 -8.167 1.00 0.00 C ATOM 930 O ARG A 110 4.001 -9.188 -9.051 1.00 0.00 O ATOM 931 CB ARG A 110 1.851 -10.895 -9.068 1.00 0.00 C ATOM 932 CG ARG A 110 0.965 -12.081 -8.683 1.00 0.00 C ATOM 933 CD ARG A 110 1.363 -13.305 -9.508 1.00 0.00 C ATOM 934 NE ARG A 110 0.579 -14.471 -9.110 1.00 0.00 N ATOM 935 CZ ARG A 110 0.641 -15.606 -9.801 1.00 0.00 C ATOM 936 NH1 ARG A 110 0.617 -15.578 -11.105 1.00 0.00 N ATOM 937 NH2 ARG A 110 0.724 -16.748 -9.174 1.00 0.00 N ATOM 0 H ARG A 110 0.548 -9.598 -6.478 1.00 0.00 H new ATOM 0 HA ARG A 110 2.436 -10.642 -7.010 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.373 -10.311 -9.855 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.800 -11.251 -9.468 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.070 -12.296 -7.620 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.083 -11.837 -8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.209 -13.101 -10.568 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.425 -13.511 -9.374 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.025 -14.414 -8.290 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.551 -14.686 -11.595 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.665 -16.448 -11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.741 -16.770 -8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.772 -17.618 -9.704 1.00 0.00 H new ATOM 951 N ASP A 111 3.138 -7.868 -7.444 1.00 0.00 N ATOM 952 CA ASP A 111 4.112 -6.801 -7.664 1.00 0.00 C ATOM 953 C ASP A 111 5.054 -6.688 -6.470 1.00 0.00 C ATOM 954 O ASP A 111 4.647 -6.853 -5.321 1.00 0.00 O ATOM 955 CB ASP A 111 3.401 -5.461 -7.869 1.00 0.00 C ATOM 956 CG ASP A 111 4.328 -4.503 -8.609 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.291 -4.057 -8.008 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.061 -4.228 -9.767 1.00 0.00 O ATOM 0 H ASP A 111 2.457 -7.679 -6.708 1.00 0.00 H new ATOM 0 HA ASP A 111 4.686 -7.046 -8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.483 -5.607 -8.437 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.116 -5.037 -6.906 1.00 0.00 H new ATOM 963 N ALA A 112 6.321 -6.402 -6.758 1.00 0.00 N ATOM 964 CA ALA A 112 7.320 -6.267 -5.701 1.00 0.00 C ATOM 965 C ALA A 112 7.406 -4.819 -5.229 1.00 0.00 C ATOM 966 O ALA A 112 7.449 -3.889 -6.035 1.00 0.00 O ATOM 967 CB ALA A 112 8.695 -6.708 -6.205 1.00 0.00 C ATOM 0 H ALA A 112 6.678 -6.261 -7.703 1.00 0.00 H new ATOM 0 HA ALA A 112 7.016 -6.903 -4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.427 -6.601 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.650 -7.751 -6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 112 8.989 -6.087 -7.051 1.00 0.00 H new ATOM 973 N VAL A 113 7.429 -4.639 -3.912 1.00 0.00 N ATOM 974 CA VAL A 113 7.510 -3.299 -3.337 1.00 0.00 C ATOM 975 C VAL A 113 8.757 -3.168 -2.467 1.00 0.00 C ATOM 976 O VAL A 113 9.535 -4.112 -2.325 1.00 0.00 O ATOM 977 CB VAL A 113 6.274 -3.005 -2.484 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.034 -2.970 -3.379 1.00 0.00 C ATOM 979 CG2 VAL A 113 6.108 -4.101 -1.429 1.00 0.00 C ATOM 0 H VAL A 113 7.393 -5.395 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 113 7.562 -2.584 -4.158 1.00 0.00 H new ATOM 0 HB VAL A 113 6.395 -2.041 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.153 -2.761 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.150 -2.190 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.914 -3.935 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.228 -3.891 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.987 -5.065 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.991 -4.128 -0.791 1.00 0.00 H new ATOM 989 N GLN A 114 8.937 -1.985 -1.886 1.00 0.00 N ATOM 990 CA GLN A 114 10.093 -1.736 -1.030 1.00 0.00 C ATOM 991 C GLN A 114 9.691 -0.890 0.173 1.00 0.00 C ATOM 992 O GLN A 114 8.794 -0.051 0.089 1.00 0.00 O ATOM 993 CB GLN A 114 11.189 -1.006 -1.808 1.00 0.00 C ATOM 994 CG GLN A 114 11.894 -1.992 -2.742 1.00 0.00 C ATOM 995 CD GLN A 114 12.582 -1.224 -3.867 1.00 0.00 C ATOM 996 OE1 GLN A 114 12.959 -0.065 -3.696 1.00 0.00 O ATOM 997 NE2 GLN A 114 12.769 -1.808 -5.019 1.00 0.00 N ATOM 0 H GLN A 114 8.305 -1.191 -1.990 1.00 0.00 H new ATOM 0 HA GLN A 114 10.472 -2.699 -0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.757 -0.188 -2.384 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.908 -0.565 -1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.627 -2.576 -2.185 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.173 -2.696 -3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.456 -2.769 -5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 114 13.228 -1.304 -5.778 1.00 0.00 H new ATOM 1006 N GLY A 115 10.365 -1.121 1.296 1.00 0.00 N ATOM 1007 CA GLY A 115 10.073 -0.374 2.517 1.00 0.00 C ATOM 1008 C GLY A 115 10.313 1.116 2.309 1.00 0.00 C ATOM 1009 O GLY A 115 11.454 1.573 2.239 1.00 0.00 O ATOM 0 H GLY A 115 11.110 -1.812 1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.038 -0.542 2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.700 -0.738 3.331 1.00 0.00 H new ATOM 1013 N GLY A 116 9.222 1.871 2.211 1.00 0.00 N ATOM 1014 CA GLY A 116 9.321 3.314 2.009 1.00 0.00 C ATOM 1015 C GLY A 116 8.642 3.726 0.707 1.00 0.00 C ATOM 1016 O GLY A 116 8.096 4.823 0.595 1.00 0.00 O ATOM 0 H GLY A 116 8.269 1.513 2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.858 3.836 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.369 3.612 1.988 1.00 0.00 H new ATOM 1020 N GLN A 117 8.682 2.831 -0.276 1.00 0.00 N ATOM 1021 CA GLN A 117 8.068 3.105 -1.574 1.00 0.00 C ATOM 1022 C GLN A 117 6.569 3.346 -1.418 1.00 0.00 C ATOM 1023 O GLN A 117 5.876 2.606 -0.720 1.00 0.00 O ATOM 1024 CB GLN A 117 8.286 1.931 -2.530 1.00 0.00 C ATOM 1025 CG GLN A 117 8.324 2.445 -3.970 1.00 0.00 C ATOM 1026 CD GLN A 117 6.901 2.577 -4.501 1.00 0.00 C ATOM 1027 OE1 GLN A 117 6.508 3.639 -4.984 1.00 0.00 O ATOM 1028 NE2 GLN A 117 6.097 1.551 -4.441 1.00 0.00 N ATOM 0 H GLN A 117 9.129 1.917 -0.201 1.00 0.00 H new ATOM 0 HA GLN A 117 8.539 3.999 -1.984 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.219 1.421 -2.290 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.485 1.201 -2.414 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.829 3.410 -4.010 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.895 1.760 -4.597 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.422 0.671 -4.041 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.143 1.629 -4.794 1.00 0.00 H new ATOM 1037 N GLY A 118 6.079 4.390 -2.079 1.00 0.00 N ATOM 1038 CA GLY A 118 4.659 4.725 -2.011 1.00 0.00 C ATOM 1039 C GLY A 118 3.808 3.585 -2.556 1.00 0.00 C ATOM 1040 O GLY A 118 3.973 3.157 -3.699 1.00 0.00 O ATOM 0 H GLY A 118 6.637 5.014 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.379 4.933 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.467 5.633 -2.582 1.00 0.00 H new ATOM 1044 N LEU A 119 2.892 3.095 -1.724 1.00 0.00 N ATOM 1045 CA LEU A 119 2.016 2.001 -2.129 1.00 0.00 C ATOM 1046 C LEU A 119 0.758 2.545 -2.799 1.00 0.00 C ATOM 1047 O LEU A 119 0.427 2.174 -3.924 1.00 0.00 O ATOM 1048 CB LEU A 119 1.612 1.162 -0.916 1.00 0.00 C ATOM 1049 CG LEU A 119 2.768 0.516 -0.151 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.250 -0.055 1.171 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.367 -0.614 -0.992 1.00 0.00 C ATOM 0 H LEU A 119 2.738 3.435 -0.775 1.00 0.00 H new ATOM 0 HA LEU A 119 2.562 1.377 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.052 1.795 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.934 0.376 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 119 3.533 1.266 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.074 -0.515 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.822 0.748 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.485 -0.805 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.191 -1.075 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.601 -1.363 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.736 -0.210 -1.935 1.00 0.00 H new ATOM 1063 N ILE A 120 0.062 3.431 -2.092 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.162 4.024 -2.627 1.00 0.00 C ATOM 1065 C ILE A 120 -1.244 5.501 -2.253 1.00 0.00 C ATOM 1066 O ILE A 120 -0.753 5.920 -1.205 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.395 3.301 -2.079 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.250 1.795 -2.316 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.650 3.808 -2.793 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.397 1.056 -1.624 1.00 0.00 C ATOM 0 H ILE A 120 0.319 3.752 -1.159 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.138 3.923 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.482 3.497 -1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.259 1.582 -3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.293 1.446 -1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.526 3.291 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.756 4.880 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.564 3.615 -3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.294 -0.016 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.367 1.259 -0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.348 1.397 -2.032 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.871 6.286 -3.124 1.00 0.00 N ATOM 1083 CA LYS A 121 -2.017 7.718 -2.878 1.00 0.00 C ATOM 1084 C LYS A 121 -3.368 8.010 -2.234 1.00 0.00 C ATOM 1085 O LYS A 121 -4.414 7.607 -2.743 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.909 8.501 -4.189 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.451 8.896 -4.432 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.402 10.208 -5.219 1.00 0.00 C ATOM 1089 CE LYS A 121 1.023 10.764 -5.194 1.00 0.00 C ATOM 1090 NZ LYS A 121 1.152 11.968 -6.065 1.00 0.00 N ATOM 0 H LYS A 121 -2.283 5.960 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.218 8.028 -2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -2.275 7.895 -5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.535 9.392 -4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 121 0.069 9.010 -3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.063 8.109 -4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.720 10.040 -6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.094 10.931 -4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 121 1.297 11.022 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.721 9.996 -5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.129 12.321 -6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.914 11.715 -7.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 0.503 12.709 -5.731 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.333 8.716 -1.109 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.562 9.058 -0.399 1.00 0.00 C ATOM 1106 C ILE A 122 -4.867 10.544 -0.552 1.00 0.00 C ATOM 1107 O ILE A 122 -3.963 11.380 -0.569 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.436 8.723 1.091 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.963 7.270 1.261 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.793 8.908 1.778 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.964 6.299 0.618 1.00 0.00 C ATOM 0 H ILE A 122 -2.478 9.060 -0.672 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.374 8.473 -0.831 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.707 9.392 1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.981 7.145 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.853 7.039 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.700 8.669 2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.119 9.942 1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.526 8.245 1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.613 5.275 0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.938 6.412 1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.053 6.520 -0.446 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.153 10.861 -0.662 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.573 12.251 -0.814 1.00 0.00 C ATOM 1125 C GLY A 123 -7.427 12.690 0.370 1.00 0.00 C ATOM 1126 O GLY A 123 -6.855 13.084 1.374 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.640 12.624 0.258 1.00 0.00 O ATOM 0 H GLY A 123 -6.915 10.184 -0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -5.696 12.894 -0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -7.138 12.366 -1.739 1.00 0.00 H new TER 1131 GLY A 123