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 114 GLN : amide:sc= 0 X(o=0,f=0.34) USER MOD Set 1.2: A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 81 THR OG1 : rot 180:sc= 0.00834 USER MOD Set 2.2: A 95 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.7!) 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 180:sc= -0.0228 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 K(o=0,f=-0.6) 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+ 177:sc= -0.645 (180deg=-0.696) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 13.504 9.230 -1.453 1.00 0.00 N ATOM 2 CA ALA A 47 14.627 10.044 -1.993 1.00 0.00 C ATOM 3 C ALA A 47 15.950 9.408 -1.573 1.00 0.00 C ATOM 4 O ALA A 47 16.893 10.095 -1.176 1.00 0.00 O ATOM 5 CB ALA A 47 14.570 11.484 -1.475 1.00 0.00 C ATOM 0 HA ALA A 47 14.544 10.070 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.404 12.052 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.630 11.944 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.635 11.482 -0.387 1.00 0.00 H new ATOM 13 N GLY A 48 16.010 8.083 -1.668 1.00 0.00 N ATOM 14 CA GLY A 48 17.221 7.356 -1.297 1.00 0.00 C ATOM 15 C GLY A 48 16.872 6.014 -0.664 1.00 0.00 C ATOM 16 O GLY A 48 17.513 4.999 -0.932 1.00 0.00 O ATOM 0 H GLY A 48 15.243 7.495 -1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.840 7.197 -2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.809 7.951 -0.598 1.00 0.00 H new ATOM 20 N ALA A 49 15.845 6.023 0.182 1.00 0.00 N ATOM 21 CA ALA A 49 15.414 4.801 0.854 1.00 0.00 C ATOM 22 C ALA A 49 13.987 4.445 0.445 1.00 0.00 C ATOM 23 O ALA A 49 13.756 3.468 -0.268 1.00 0.00 O ATOM 24 CB ALA A 49 15.468 4.975 2.372 1.00 0.00 C ATOM 0 H ALA A 49 15.301 6.853 0.417 1.00 0.00 H new ATOM 0 HA ALA A 49 16.090 3.998 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.143 4.054 2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.489 5.204 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 49 14.810 5.792 2.668 1.00 0.00 H new ATOM 30 N GLY A 50 13.035 5.250 0.906 1.00 0.00 N ATOM 31 CA GLY A 50 11.630 5.015 0.583 1.00 0.00 C ATOM 32 C GLY A 50 11.198 5.871 -0.601 1.00 0.00 C ATOM 33 O GLY A 50 12.027 6.349 -1.376 1.00 0.00 O ATOM 0 H GLY A 50 13.207 6.063 1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.477 3.961 0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.009 5.244 1.449 1.00 0.00 H new ATOM 37 N LYS A 51 9.887 6.061 -0.734 1.00 0.00 N ATOM 38 CA LYS A 51 9.352 6.863 -1.830 1.00 0.00 C ATOM 39 C LYS A 51 7.905 7.259 -1.539 1.00 0.00 C ATOM 40 O LYS A 51 7.050 7.252 -2.425 1.00 0.00 O ATOM 41 CB LYS A 51 9.420 6.074 -3.150 1.00 0.00 C ATOM 42 CG LYS A 51 10.160 6.893 -4.212 1.00 0.00 C ATOM 43 CD LYS A 51 9.156 7.742 -4.995 1.00 0.00 C ATOM 44 CE LYS A 51 9.892 8.886 -5.696 1.00 0.00 C ATOM 45 NZ LYS A 51 9.231 9.253 -6.979 1.00 0.00 N ATOM 0 H LYS A 51 9.183 5.675 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 51 9.955 7.766 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.931 5.125 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.413 5.840 -3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.903 7.534 -3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.697 6.229 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.637 7.126 -5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.398 8.142 -4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.924 9.756 -5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.924 8.593 -5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.754 10.031 -7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.223 8.429 -7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.254 9.556 -6.792 1.00 0.00 H new ATOM 59 N ALA A 52 7.644 7.607 -0.283 1.00 0.00 N ATOM 60 CA ALA A 52 6.300 8.009 0.124 1.00 0.00 C ATOM 61 C ALA A 52 6.366 8.915 1.351 1.00 0.00 C ATOM 62 O ALA A 52 7.443 9.189 1.881 1.00 0.00 O ATOM 63 CB ALA A 52 5.449 6.776 0.448 1.00 0.00 C ATOM 0 H ALA A 52 8.337 7.619 0.465 1.00 0.00 H new ATOM 0 HA ALA A 52 5.842 8.554 -0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.450 7.092 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.377 6.141 -0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.913 6.217 1.260 1.00 0.00 H new ATOM 69 N GLY A 53 5.200 9.376 1.796 1.00 0.00 N ATOM 70 CA GLY A 53 5.135 10.251 2.963 1.00 0.00 C ATOM 71 C GLY A 53 4.135 11.380 2.742 1.00 0.00 C ATOM 72 O GLY A 53 3.317 11.683 3.611 1.00 0.00 O ATOM 0 H GLY A 53 4.297 9.162 1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.848 9.672 3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.122 10.668 3.165 1.00 0.00 H new ATOM 76 N GLU A 54 4.209 11.999 1.567 1.00 0.00 N ATOM 77 CA GLU A 54 3.304 13.097 1.239 1.00 0.00 C ATOM 78 C GLU A 54 2.239 12.634 0.249 1.00 0.00 C ATOM 79 O GLU A 54 2.341 12.869 -0.956 1.00 0.00 O ATOM 80 CB GLU A 54 4.080 14.267 0.629 1.00 0.00 C ATOM 81 CG GLU A 54 4.658 15.135 1.749 1.00 0.00 C ATOM 82 CD GLU A 54 3.592 16.110 2.239 1.00 0.00 C ATOM 83 OE1 GLU A 54 3.499 17.188 1.676 1.00 0.00 O ATOM 84 OE2 GLU A 54 2.884 15.763 3.171 1.00 0.00 O ATOM 0 H GLU A 54 4.878 11.763 0.834 1.00 0.00 H new ATOM 0 HA GLU A 54 2.823 13.423 2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.883 13.893 -0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.423 14.862 -0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.997 14.506 2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.528 15.683 1.387 1.00 0.00 H new ATOM 91 N GLY A 55 1.211 11.971 0.774 1.00 0.00 N ATOM 92 CA GLY A 55 0.126 11.476 -0.070 1.00 0.00 C ATOM 93 C GLY A 55 0.246 9.970 -0.280 1.00 0.00 C ATOM 94 O GLY A 55 -0.724 9.228 -0.123 1.00 0.00 O ATOM 0 H GLY A 55 1.106 11.766 1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.834 11.708 0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.148 11.985 -1.034 1.00 0.00 H new ATOM 98 N GLU A 56 1.448 9.528 -0.638 1.00 0.00 N ATOM 99 CA GLU A 56 1.687 8.106 -0.870 1.00 0.00 C ATOM 100 C GLU A 56 1.971 7.390 0.447 1.00 0.00 C ATOM 101 O GLU A 56 2.821 7.813 1.229 1.00 0.00 O ATOM 102 CB GLU A 56 2.878 7.908 -1.810 1.00 0.00 C ATOM 103 CG GLU A 56 2.634 8.672 -3.114 1.00 0.00 C ATOM 104 CD GLU A 56 3.961 9.194 -3.655 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.371 10.263 -3.234 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.549 8.516 -4.482 1.00 0.00 O ATOM 0 H GLU A 56 2.264 10.126 -0.773 1.00 0.00 H new ATOM 0 HA GLU A 56 0.791 7.686 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.793 8.262 -1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.017 6.847 -2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.162 8.018 -3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.949 9.502 -2.939 1.00 0.00 H new ATOM 113 N ILE A 57 1.248 6.299 0.679 1.00 0.00 N ATOM 114 CA ILE A 57 1.427 5.523 1.903 1.00 0.00 C ATOM 115 C ILE A 57 2.670 4.632 1.786 1.00 0.00 C ATOM 116 O ILE A 57 2.682 3.684 1.001 1.00 0.00 O ATOM 117 CB ILE A 57 0.204 4.638 2.158 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.067 5.491 2.113 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.325 3.982 3.535 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.292 4.578 2.029 1.00 0.00 C ATOM 0 H ILE A 57 0.539 5.934 0.043 1.00 0.00 H new ATOM 0 HA ILE A 57 1.550 6.219 2.733 1.00 0.00 H new ATOM 0 HB ILE A 57 0.152 3.867 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.128 6.118 3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.039 6.159 1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.546 3.352 3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.227 3.372 3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.380 4.754 4.302 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.197 5.185 1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.231 3.970 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.322 3.928 2.903 1.00 0.00 H new ATOM 132 N PRO A 58 3.732 4.917 2.557 1.00 0.00 N ATOM 133 CA PRO A 58 4.968 4.120 2.511 1.00 0.00 C ATOM 134 C PRO A 58 4.788 2.729 3.114 1.00 0.00 C ATOM 135 O PRO A 58 4.080 2.552 4.105 1.00 0.00 O ATOM 136 CB PRO A 58 5.964 4.934 3.334 1.00 0.00 C ATOM 137 CG PRO A 58 5.127 5.750 4.255 1.00 0.00 C ATOM 138 CD PRO A 58 3.838 6.020 3.533 1.00 0.00 C ATOM 0 HA PRO A 58 5.293 3.946 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.642 4.285 3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.580 5.567 2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.945 5.217 5.188 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.630 6.682 4.513 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.991 6.027 4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.855 6.990 3.037 1.00 0.00 H new ATOM 146 N ALA A 59 5.438 1.744 2.499 1.00 0.00 N ATOM 147 CA ALA A 59 5.345 0.367 2.977 1.00 0.00 C ATOM 148 C ALA A 59 6.233 0.165 4.208 1.00 0.00 C ATOM 149 O ALA A 59 7.276 0.804 4.339 1.00 0.00 O ATOM 150 CB ALA A 59 5.783 -0.609 1.882 1.00 0.00 C ATOM 0 H ALA A 59 6.029 1.871 1.677 1.00 0.00 H new ATOM 0 HA ALA A 59 4.306 0.173 3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.708 -1.631 2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.138 -0.492 1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.815 -0.400 1.600 1.00 0.00 H new ATOM 156 N PRO A 60 5.829 -0.728 5.123 1.00 0.00 N ATOM 157 CA PRO A 60 6.602 -1.004 6.344 1.00 0.00 C ATOM 158 C PRO A 60 7.869 -1.811 6.063 1.00 0.00 C ATOM 159 O PRO A 60 8.849 -1.730 6.804 1.00 0.00 O ATOM 160 CB PRO A 60 5.640 -1.811 7.213 1.00 0.00 C ATOM 161 CG PRO A 60 4.692 -2.449 6.257 1.00 0.00 C ATOM 162 CD PRO A 60 4.601 -1.544 5.062 1.00 0.00 C ATOM 0 HA PRO A 60 6.948 -0.084 6.815 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.173 -2.560 7.799 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.114 -1.169 7.919 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.045 -3.438 5.966 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.712 -2.582 6.716 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.549 -2.115 4.135 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.708 -0.921 5.103 1.00 0.00 H new ATOM 170 N LEU A 61 7.836 -2.591 4.985 1.00 0.00 N ATOM 171 CA LEU A 61 8.989 -3.410 4.616 1.00 0.00 C ATOM 172 C LEU A 61 8.855 -3.903 3.180 1.00 0.00 C ATOM 173 O LEU A 61 7.754 -3.985 2.635 1.00 0.00 O ATOM 174 CB LEU A 61 9.108 -4.617 5.547 1.00 0.00 C ATOM 175 CG LEU A 61 7.832 -5.446 5.712 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.775 -6.519 4.623 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.836 -6.118 7.088 1.00 0.00 C ATOM 0 H LEU A 61 7.035 -2.674 4.359 1.00 0.00 H new ATOM 0 HA LEU A 61 9.882 -2.792 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.898 -5.268 5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.423 -4.267 6.530 1.00 0.00 H new ATOM 0 HG LEU A 61 6.962 -4.795 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.866 -7.109 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.774 -6.043 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.644 -7.171 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.928 -6.709 7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.706 -6.769 7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.877 -5.355 7.865 1.00 0.00 H new ATOM 189 N ALA A 62 9.993 -4.234 2.573 1.00 0.00 N ATOM 190 CA ALA A 62 9.996 -4.723 1.197 1.00 0.00 C ATOM 191 C ALA A 62 9.405 -6.128 1.130 1.00 0.00 C ATOM 192 O ALA A 62 9.891 -7.054 1.779 1.00 0.00 O ATOM 193 CB ALA A 62 11.423 -4.754 0.643 1.00 0.00 C ATOM 0 H ALA A 62 10.914 -4.174 3.006 1.00 0.00 H new ATOM 0 HA ALA A 62 9.389 -4.045 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.407 -5.121 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.843 -3.748 0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.037 -5.415 1.255 1.00 0.00 H new ATOM 199 N GLY A 63 8.349 -6.274 0.336 1.00 0.00 N ATOM 200 CA GLY A 63 7.694 -7.570 0.185 1.00 0.00 C ATOM 201 C GLY A 63 7.052 -7.693 -1.192 1.00 0.00 C ATOM 202 O GLY A 63 7.574 -7.180 -2.183 1.00 0.00 O ATOM 0 H GLY A 63 7.931 -5.519 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.422 -8.369 0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.935 -7.691 0.958 1.00 0.00 H new ATOM 206 N THR A 64 5.914 -8.377 -1.244 1.00 0.00 N ATOM 207 CA THR A 64 5.206 -8.562 -2.507 1.00 0.00 C ATOM 208 C THR A 64 3.708 -8.356 -2.312 1.00 0.00 C ATOM 209 O THR A 64 3.129 -8.796 -1.319 1.00 0.00 O ATOM 210 CB THR A 64 5.447 -9.970 -3.058 1.00 0.00 C ATOM 211 OG1 THR A 64 6.822 -10.299 -2.925 1.00 0.00 O ATOM 212 CG2 THR A 64 5.048 -10.016 -4.534 1.00 0.00 C ATOM 0 H THR A 64 5.465 -8.809 -0.436 1.00 0.00 H new ATOM 0 HA THR A 64 5.586 -7.826 -3.215 1.00 0.00 H new ATOM 0 HB THR A 64 4.847 -10.688 -2.500 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.978 -11.201 -3.276 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.220 -11.018 -4.926 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.992 -9.763 -4.634 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.647 -9.299 -5.095 1.00 0.00 H new ATOM 220 N VAL A 65 3.086 -7.681 -3.275 1.00 0.00 N ATOM 221 CA VAL A 65 1.651 -7.419 -3.205 1.00 0.00 C ATOM 222 C VAL A 65 0.868 -8.706 -3.452 1.00 0.00 C ATOM 223 O VAL A 65 1.069 -9.388 -4.456 1.00 0.00 O ATOM 224 CB VAL A 65 1.244 -6.374 -4.247 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.224 -5.992 -4.045 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.117 -5.126 -4.088 1.00 0.00 C ATOM 0 H VAL A 65 3.547 -7.309 -4.105 1.00 0.00 H new ATOM 0 HA VAL A 65 1.423 -7.039 -2.209 1.00 0.00 H new ATOM 0 HB VAL A 65 1.378 -6.790 -5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.512 -5.248 -4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.849 -6.878 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.358 -5.578 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.827 -4.382 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.983 -4.713 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.164 -5.393 -4.232 1.00 0.00 H new ATOM 236 N SER A 66 -0.024 -9.028 -2.521 1.00 0.00 N ATOM 237 CA SER A 66 -0.834 -10.238 -2.645 1.00 0.00 C ATOM 238 C SER A 66 -2.194 -9.915 -3.258 1.00 0.00 C ATOM 239 O SER A 66 -2.604 -10.523 -4.246 1.00 0.00 O ATOM 240 CB SER A 66 -1.045 -10.883 -1.276 1.00 0.00 C ATOM 241 OG SER A 66 -1.754 -12.104 -1.437 1.00 0.00 O ATOM 0 H SER A 66 -0.204 -8.477 -1.682 1.00 0.00 H new ATOM 0 HA SER A 66 -0.301 -10.931 -3.295 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.084 -11.068 -0.796 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.602 -10.209 -0.625 1.00 0.00 H new ATOM 0 HG SER A 66 -1.890 -12.521 -0.561 1.00 0.00 H new ATOM 247 N LYS A 67 -2.892 -8.953 -2.659 1.00 0.00 N ATOM 248 CA LYS A 67 -4.209 -8.561 -3.156 1.00 0.00 C ATOM 249 C LYS A 67 -4.483 -7.091 -2.858 1.00 0.00 C ATOM 250 O LYS A 67 -3.989 -6.537 -1.876 1.00 0.00 O ATOM 251 CB LYS A 67 -5.304 -9.411 -2.504 1.00 0.00 C ATOM 252 CG LYS A 67 -5.161 -9.364 -0.975 1.00 0.00 C ATOM 253 CD LYS A 67 -4.698 -10.728 -0.452 1.00 0.00 C ATOM 254 CE LYS A 67 -5.918 -11.575 -0.084 1.00 0.00 C ATOM 255 NZ LYS A 67 -5.595 -12.558 0.988 1.00 0.00 N ATOM 0 H LYS A 67 -2.573 -8.436 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.217 -8.719 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.287 -9.042 -2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.233 -10.441 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.444 -8.594 -0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.114 -9.095 -0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.104 -11.238 -1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.057 -10.597 0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.727 -10.925 0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.276 -12.103 -0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.443 -13.116 1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.840 -13.193 0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.277 -12.052 1.839 1.00 0.00 H new ATOM 269 N ILE A 68 -5.282 -6.468 -3.720 1.00 0.00 N ATOM 270 CA ILE A 68 -5.630 -5.060 -3.548 1.00 0.00 C ATOM 271 C ILE A 68 -7.069 -4.933 -3.058 1.00 0.00 C ATOM 272 O ILE A 68 -8.010 -5.320 -3.749 1.00 0.00 O ATOM 273 CB ILE A 68 -5.483 -4.306 -4.873 1.00 0.00 C ATOM 274 CG1 ILE A 68 -4.083 -4.547 -5.446 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.681 -2.807 -4.637 1.00 0.00 C ATOM 276 CD1 ILE A 68 -4.074 -4.197 -6.935 1.00 0.00 C ATOM 0 H ILE A 68 -5.698 -6.912 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.952 -4.628 -2.812 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.234 -4.666 -5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.351 -3.939 -4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.795 -5.589 -5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.576 -2.273 -5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.677 -2.631 -4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.932 -2.448 -3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.078 -4.368 -7.343 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.794 -4.824 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.343 -3.149 -7.064 1.00 0.00 H new ATOM 288 N LEU A 69 -7.229 -4.393 -1.853 1.00 0.00 N ATOM 289 CA LEU A 69 -8.562 -4.227 -1.278 1.00 0.00 C ATOM 290 C LEU A 69 -9.083 -2.797 -1.463 1.00 0.00 C ATOM 291 O LEU A 69 -10.065 -2.403 -0.835 1.00 0.00 O ATOM 292 CB LEU A 69 -8.538 -4.552 0.217 1.00 0.00 C ATOM 293 CG LEU A 69 -8.392 -6.036 0.562 1.00 0.00 C ATOM 294 CD1 LEU A 69 -8.027 -6.184 2.040 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.716 -6.753 0.291 1.00 0.00 C ATOM 0 H LEU A 69 -6.464 -4.067 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.227 -4.913 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.714 -4.006 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.458 -4.180 0.668 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.606 -6.476 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.923 -7.241 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.085 -5.672 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.813 -5.745 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.614 -7.810 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.501 -6.312 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.978 -6.648 -0.762 1.00 0.00 H new ATOM 307 N VAL A 70 -8.426 -2.022 -2.328 1.00 0.00 N ATOM 308 CA VAL A 70 -8.854 -0.647 -2.570 1.00 0.00 C ATOM 309 C VAL A 70 -8.556 -0.235 -4.008 1.00 0.00 C ATOM 310 O VAL A 70 -7.461 -0.465 -4.522 1.00 0.00 O ATOM 311 CB VAL A 70 -8.145 0.316 -1.616 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.546 -0.008 -0.174 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.629 0.167 -1.769 1.00 0.00 C ATOM 0 H VAL A 70 -7.610 -2.318 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.929 -0.600 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.434 1.340 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.041 0.678 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.625 0.100 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.257 -1.032 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.125 0.854 -1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.338 -0.857 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.342 0.398 -2.795 1.00 0.00 H new ATOM 323 N LYS A 71 -9.545 0.381 -4.648 1.00 0.00 N ATOM 324 CA LYS A 71 -9.384 0.828 -6.028 1.00 0.00 C ATOM 325 C LYS A 71 -9.497 2.347 -6.106 1.00 0.00 C ATOM 326 O LYS A 71 -10.025 2.992 -5.200 1.00 0.00 O ATOM 327 CB LYS A 71 -10.454 0.203 -6.924 1.00 0.00 C ATOM 328 CG LYS A 71 -10.393 -1.320 -6.806 1.00 0.00 C ATOM 329 CD LYS A 71 -9.387 -1.870 -7.820 1.00 0.00 C ATOM 330 CE LYS A 71 -8.988 -3.293 -7.425 1.00 0.00 C ATOM 331 NZ LYS A 71 -10.074 -4.268 -7.727 1.00 0.00 N ATOM 0 H LYS A 71 -10.458 0.581 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.398 0.515 -6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.441 0.561 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.298 0.505 -7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.100 -1.606 -5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.379 -1.749 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.824 -1.868 -8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.505 -1.231 -7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.082 -3.579 -7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.755 -3.325 -6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.771 -5.223 -7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.931 -4.008 -7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.279 -4.255 -8.747 1.00 0.00 H new ATOM 345 N GLU A 72 -8.995 2.911 -7.202 1.00 0.00 N ATOM 346 CA GLU A 72 -9.042 4.359 -7.396 1.00 0.00 C ATOM 347 C GLU A 72 -10.484 4.861 -7.353 1.00 0.00 C ATOM 348 O GLU A 72 -11.197 4.833 -8.356 1.00 0.00 O ATOM 349 CB GLU A 72 -8.423 4.738 -8.744 1.00 0.00 C ATOM 350 CG GLU A 72 -8.166 6.246 -8.783 1.00 0.00 C ATOM 351 CD GLU A 72 -9.360 6.950 -9.417 1.00 0.00 C ATOM 352 OE1 GLU A 72 -10.293 7.259 -8.695 1.00 0.00 O ATOM 353 OE2 GLU A 72 -9.324 7.171 -10.616 1.00 0.00 O ATOM 0 H GLU A 72 -8.555 2.394 -7.963 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.474 4.823 -6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.489 4.195 -8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.091 4.451 -9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.002 6.624 -7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.261 6.457 -9.353 1.00 0.00 H new ATOM 360 N GLY A 73 -10.902 5.320 -6.176 1.00 0.00 N ATOM 361 CA GLY A 73 -12.261 5.826 -6.005 1.00 0.00 C ATOM 362 C GLY A 73 -12.836 5.389 -4.662 1.00 0.00 C ATOM 363 O GLY A 73 -13.581 6.130 -4.019 1.00 0.00 O ATOM 0 H GLY A 73 -10.326 5.352 -5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.259 6.914 -6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.894 5.461 -6.813 1.00 0.00 H new ATOM 367 N ASP A 74 -12.482 4.176 -4.243 1.00 0.00 N ATOM 368 CA ASP A 74 -12.969 3.649 -2.970 1.00 0.00 C ATOM 369 C ASP A 74 -12.498 4.526 -1.814 1.00 0.00 C ATOM 370 O ASP A 74 -11.411 5.102 -1.855 1.00 0.00 O ATOM 371 CB ASP A 74 -12.461 2.222 -2.753 1.00 0.00 C ATOM 372 CG ASP A 74 -13.030 1.309 -3.834 1.00 0.00 C ATOM 373 OD1 ASP A 74 -13.101 1.745 -4.970 1.00 0.00 O ATOM 374 OD2 ASP A 74 -13.386 0.188 -3.508 1.00 0.00 O ATOM 0 H ASP A 74 -11.867 3.546 -4.759 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.059 3.646 -3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.372 2.204 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.758 1.865 -1.767 1.00 0.00 H new ATOM 379 N THR A 75 -13.332 4.625 -0.782 1.00 0.00 N ATOM 380 CA THR A 75 -12.994 5.438 0.383 1.00 0.00 C ATOM 381 C THR A 75 -12.398 4.571 1.487 1.00 0.00 C ATOM 382 O THR A 75 -12.880 3.472 1.763 1.00 0.00 O ATOM 383 CB THR A 75 -14.238 6.147 0.922 1.00 0.00 C ATOM 384 OG1 THR A 75 -15.111 6.454 -0.157 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.826 7.438 1.631 1.00 0.00 C ATOM 0 H THR A 75 -14.237 4.158 -0.728 1.00 0.00 H new ATOM 0 HA THR A 75 -12.260 6.181 0.070 1.00 0.00 H new ATOM 0 HB THR A 75 -14.750 5.495 1.630 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.909 6.907 0.187 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.713 7.942 2.014 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.157 7.201 2.459 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.313 8.093 0.926 1.00 0.00 H new ATOM 393 N VAL A 76 -11.343 5.080 2.117 1.00 0.00 N ATOM 394 CA VAL A 76 -10.682 4.346 3.193 1.00 0.00 C ATOM 395 C VAL A 76 -10.574 5.216 4.442 1.00 0.00 C ATOM 396 O VAL A 76 -10.779 6.428 4.394 1.00 0.00 O ATOM 397 CB VAL A 76 -9.278 3.913 2.769 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.380 2.856 1.668 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.505 5.125 2.242 1.00 0.00 C ATOM 0 H VAL A 76 -10.930 5.988 1.905 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.282 3.463 3.412 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.754 3.494 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.379 2.548 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.928 1.992 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.905 3.274 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.504 4.815 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.029 5.546 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.430 5.878 3.026 1.00 0.00 H new ATOM 409 N LYS A 77 -10.244 4.578 5.562 1.00 0.00 N ATOM 410 CA LYS A 77 -10.106 5.297 6.824 1.00 0.00 C ATOM 411 C LYS A 77 -8.785 4.938 7.496 1.00 0.00 C ATOM 412 O LYS A 77 -8.205 3.885 7.233 1.00 0.00 O ATOM 413 CB LYS A 77 -11.257 4.949 7.771 1.00 0.00 C ATOM 414 CG LYS A 77 -12.422 5.912 7.534 1.00 0.00 C ATOM 415 CD LYS A 77 -13.395 5.296 6.527 1.00 0.00 C ATOM 416 CE LYS A 77 -14.662 6.151 6.453 1.00 0.00 C ATOM 417 NZ LYS A 77 -15.863 5.318 6.170 1.00 0.00 N ATOM 0 H LYS A 77 -10.069 3.575 5.621 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.128 6.365 6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.581 3.922 7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.922 5.014 8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.935 6.117 8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.049 6.865 7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.927 5.234 5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.647 4.278 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.800 6.683 7.395 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.549 6.905 5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.705 5.927 6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.740 4.830 5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.984 4.614 6.926 1.00 0.00 H new ATOM 431 N ALA A 78 -8.318 5.827 8.367 1.00 0.00 N ATOM 432 CA ALA A 78 -7.062 5.594 9.075 1.00 0.00 C ATOM 433 C ALA A 78 -7.168 4.350 9.950 1.00 0.00 C ATOM 434 O ALA A 78 -7.530 4.427 11.124 1.00 0.00 O ATOM 435 CB ALA A 78 -6.713 6.796 9.954 1.00 0.00 C ATOM 0 H ALA A 78 -8.783 6.705 8.598 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.277 5.449 8.332 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.774 6.606 10.474 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.609 7.684 9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.507 6.956 10.684 1.00 0.00 H new ATOM 441 N GLY A 79 -6.847 3.201 9.362 1.00 0.00 N ATOM 442 CA GLY A 79 -6.908 1.939 10.095 1.00 0.00 C ATOM 443 C GLY A 79 -7.464 0.826 9.212 1.00 0.00 C ATOM 444 O GLY A 79 -7.073 -0.335 9.333 1.00 0.00 O ATOM 0 H GLY A 79 -6.545 3.117 8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.912 1.668 10.445 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.536 2.056 10.978 1.00 0.00 H new ATOM 448 N GLN A 80 -8.381 1.193 8.322 1.00 0.00 N ATOM 449 CA GLN A 80 -8.986 0.216 7.420 1.00 0.00 C ATOM 450 C GLN A 80 -7.929 -0.386 6.500 1.00 0.00 C ATOM 451 O GLN A 80 -6.979 0.285 6.097 1.00 0.00 O ATOM 452 CB GLN A 80 -10.074 0.871 6.567 1.00 0.00 C ATOM 453 CG GLN A 80 -10.996 -0.209 5.998 1.00 0.00 C ATOM 454 CD GLN A 80 -12.118 0.446 5.199 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.665 1.470 5.608 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.499 -0.090 4.071 1.00 0.00 N ATOM 0 H GLN A 80 -8.719 2.148 8.206 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.430 -0.571 8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.649 1.574 7.169 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.621 1.442 5.756 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.429 -0.886 5.360 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.414 -0.808 6.807 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -12.046 -0.939 3.731 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -13.249 0.340 3.530 1.00 0.00 H new ATOM 465 N THR A 81 -8.106 -1.664 6.174 1.00 0.00 N ATOM 466 CA THR A 81 -7.162 -2.356 5.299 1.00 0.00 C ATOM 467 C THR A 81 -7.225 -1.782 3.889 1.00 0.00 C ATOM 468 O THR A 81 -8.300 -1.473 3.374 1.00 0.00 O ATOM 469 CB THR A 81 -7.481 -3.852 5.243 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.841 -4.307 6.540 1.00 0.00 O ATOM 471 CG2 THR A 81 -6.251 -4.619 4.754 1.00 0.00 C ATOM 0 H THR A 81 -8.885 -2.237 6.498 1.00 0.00 H new ATOM 0 HA THR A 81 -6.161 -2.214 5.705 1.00 0.00 H new ATOM 0 HB THR A 81 -8.310 -4.022 4.556 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.047 -5.264 6.505 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.479 -5.684 4.714 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.976 -4.269 3.759 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.421 -4.451 5.440 1.00 0.00 H new ATOM 479 N VAL A 82 -6.056 -1.638 3.274 1.00 0.00 N ATOM 480 CA VAL A 82 -5.981 -1.092 1.921 1.00 0.00 C ATOM 481 C VAL A 82 -5.346 -2.091 0.958 1.00 0.00 C ATOM 482 O VAL A 82 -5.723 -2.166 -0.211 1.00 0.00 O ATOM 483 CB VAL A 82 -5.157 0.197 1.913 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.890 1.277 2.710 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.792 -0.068 2.552 1.00 0.00 C ATOM 0 H VAL A 82 -5.156 -1.888 3.684 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.000 -0.882 1.594 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.020 0.534 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.303 2.195 2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.863 1.466 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.027 0.941 3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.204 0.850 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.930 -0.405 3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.268 -0.838 1.985 1.00 0.00 H new ATOM 495 N LEU A 83 -4.371 -2.853 1.450 1.00 0.00 N ATOM 496 CA LEU A 83 -3.695 -3.832 0.601 1.00 0.00 C ATOM 497 C LEU A 83 -2.954 -4.869 1.443 1.00 0.00 C ATOM 498 O LEU A 83 -2.532 -4.596 2.567 1.00 0.00 O ATOM 499 CB LEU A 83 -2.692 -3.126 -0.317 1.00 0.00 C ATOM 500 CG LEU A 83 -1.843 -4.044 -1.206 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.573 -3.358 -2.546 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.509 -4.336 -0.513 1.00 0.00 C ATOM 0 H LEU A 83 -4.036 -2.814 2.413 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.454 -4.338 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.239 -2.434 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.022 -2.527 0.300 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.381 -4.976 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.970 -4.013 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.519 -3.147 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.037 -2.424 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.094 -4.988 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.025 -3.401 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.695 -4.827 0.442 1.00 0.00 H new ATOM 514 N VAL A 84 -2.797 -6.062 0.874 1.00 0.00 N ATOM 515 CA VAL A 84 -2.097 -7.144 1.563 1.00 0.00 C ATOM 516 C VAL A 84 -0.694 -7.303 0.984 1.00 0.00 C ATOM 517 O VAL A 84 -0.478 -7.112 -0.212 1.00 0.00 O ATOM 518 CB VAL A 84 -2.852 -8.469 1.404 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.235 -9.519 2.329 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.326 -8.272 1.772 1.00 0.00 C ATOM 0 H VAL A 84 -3.142 -6.303 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.039 -6.891 2.622 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.780 -8.803 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.770 -10.462 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.187 -9.664 2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.307 -9.181 3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.859 -9.216 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.401 -7.936 2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.768 -7.524 1.114 1.00 0.00 H new ATOM 530 N LEU A 85 0.257 -7.651 1.845 1.00 0.00 N ATOM 531 CA LEU A 85 1.638 -7.827 1.405 1.00 0.00 C ATOM 532 C LEU A 85 2.163 -9.196 1.826 1.00 0.00 C ATOM 533 O LEU A 85 1.623 -9.835 2.729 1.00 0.00 O ATOM 534 CB LEU A 85 2.533 -6.739 2.005 1.00 0.00 C ATOM 535 CG LEU A 85 2.676 -5.468 1.163 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.319 -4.363 2.006 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.559 -5.762 -0.053 1.00 0.00 C ATOM 0 H LEU A 85 0.101 -7.815 2.840 1.00 0.00 H new ATOM 0 HA LEU A 85 1.657 -7.753 0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.136 -6.464 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.525 -7.159 2.170 1.00 0.00 H new ATOM 0 HG LEU A 85 1.691 -5.140 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.420 -3.459 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.691 -4.155 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.304 -4.688 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.663 -4.859 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.543 -6.089 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.101 -6.547 -0.654 1.00 0.00 H new ATOM 549 N GLU A 86 3.224 -9.636 1.157 1.00 0.00 N ATOM 550 CA GLU A 86 3.823 -10.931 1.466 1.00 0.00 C ATOM 551 C GLU A 86 5.335 -10.794 1.626 1.00 0.00 C ATOM 552 O GLU A 86 6.049 -10.481 0.673 1.00 0.00 O ATOM 553 CB GLU A 86 3.530 -11.936 0.351 1.00 0.00 C ATOM 554 CG GLU A 86 2.190 -12.622 0.623 1.00 0.00 C ATOM 555 CD GLU A 86 2.211 -14.029 0.035 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.761 -14.192 -1.041 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.677 -14.924 0.672 1.00 0.00 O ATOM 0 H GLU A 86 3.683 -9.122 0.405 1.00 0.00 H new ATOM 0 HA GLU A 86 3.389 -11.288 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.502 -11.428 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.326 -12.678 0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.004 -12.667 1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.377 -12.044 0.183 1.00 0.00 H new ATOM 564 N ALA A 87 5.813 -11.032 2.844 1.00 0.00 N ATOM 565 CA ALA A 87 7.244 -10.934 3.124 1.00 0.00 C ATOM 566 C ALA A 87 7.634 -11.906 4.233 1.00 0.00 C ATOM 567 O ALA A 87 6.902 -12.089 5.205 1.00 0.00 O ATOM 568 CB ALA A 87 7.611 -9.512 3.553 1.00 0.00 C ATOM 0 H ALA A 87 5.238 -11.291 3.646 1.00 0.00 H new ATOM 0 HA ALA A 87 7.785 -11.186 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.680 -9.458 3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.359 -8.814 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.056 -9.249 4.453 1.00 0.00 H new ATOM 574 N MET A 88 8.800 -12.528 4.074 1.00 0.00 N ATOM 575 CA MET A 88 9.286 -13.486 5.067 1.00 0.00 C ATOM 576 C MET A 88 8.317 -14.656 5.202 1.00 0.00 C ATOM 577 O MET A 88 8.167 -15.236 6.277 1.00 0.00 O ATOM 578 CB MET A 88 9.448 -12.812 6.432 1.00 0.00 C ATOM 579 CG MET A 88 10.329 -11.570 6.287 1.00 0.00 C ATOM 580 SD MET A 88 10.400 -10.692 7.868 1.00 0.00 S ATOM 581 CE MET A 88 10.772 -9.052 7.200 1.00 0.00 C ATOM 0 H MET A 88 9.421 -12.389 3.277 1.00 0.00 H new ATOM 0 HA MET A 88 10.254 -13.855 4.728 1.00 0.00 H new ATOM 0 HB2 MET A 88 8.472 -12.534 6.830 1.00 0.00 H new ATOM 0 HB3 MET A 88 9.896 -13.507 7.142 1.00 0.00 H new ATOM 0 HG2 MET A 88 11.332 -11.858 5.973 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.928 -10.915 5.513 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.861 -8.337 8.018 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.711 -9.089 6.647 1.00 0.00 H new ATOM 0 HE3 MET A 88 9.969 -8.741 6.532 1.00 0.00 H new ATOM 591 N LYS A 89 7.658 -14.997 4.095 1.00 0.00 N ATOM 592 CA LYS A 89 6.701 -16.102 4.094 1.00 0.00 C ATOM 593 C LYS A 89 5.576 -15.842 5.091 1.00 0.00 C ATOM 594 O LYS A 89 5.026 -16.770 5.685 1.00 0.00 O ATOM 595 CB LYS A 89 7.397 -17.414 4.460 1.00 0.00 C ATOM 596 CG LYS A 89 8.145 -17.954 3.240 1.00 0.00 C ATOM 597 CD LYS A 89 8.544 -19.410 3.488 1.00 0.00 C ATOM 598 CE LYS A 89 9.963 -19.463 4.058 1.00 0.00 C ATOM 599 NZ LYS A 89 10.533 -20.837 3.972 1.00 0.00 N ATOM 0 H LYS A 89 7.768 -14.529 3.195 1.00 0.00 H new ATOM 0 HA LYS A 89 6.283 -16.179 3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.093 -17.251 5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.663 -18.144 4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.514 -17.885 2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.032 -17.351 3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.845 -19.876 4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.494 -19.975 2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.602 -18.768 3.513 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.951 -19.137 5.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.495 -20.839 4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.936 -21.495 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.566 -21.137 2.977 1.00 0.00 H new ATOM 613 N MET A 90 5.240 -14.567 5.269 1.00 0.00 N ATOM 614 CA MET A 90 4.179 -14.195 6.200 1.00 0.00 C ATOM 615 C MET A 90 3.324 -13.075 5.616 1.00 0.00 C ATOM 616 O MET A 90 3.821 -11.993 5.302 1.00 0.00 O ATOM 617 CB MET A 90 4.772 -13.723 7.529 1.00 0.00 C ATOM 618 CG MET A 90 4.958 -14.920 8.461 1.00 0.00 C ATOM 619 SD MET A 90 4.948 -14.355 10.180 1.00 0.00 S ATOM 620 CE MET A 90 5.971 -15.681 10.862 1.00 0.00 C ATOM 0 H MET A 90 5.681 -13.783 4.788 1.00 0.00 H new ATOM 0 HA MET A 90 3.560 -15.076 6.370 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.729 -13.231 7.357 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.114 -12.988 7.992 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.161 -15.646 8.301 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.898 -15.425 8.239 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.097 -15.529 11.934 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.486 -16.641 10.687 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.947 -15.673 10.377 1.00 0.00 H new ATOM 630 N GLU A 91 2.029 -13.347 5.476 1.00 0.00 N ATOM 631 CA GLU A 91 1.108 -12.353 4.932 1.00 0.00 C ATOM 632 C GLU A 91 1.029 -11.146 5.859 1.00 0.00 C ATOM 633 O GLU A 91 0.787 -11.282 7.058 1.00 0.00 O ATOM 634 CB GLU A 91 -0.291 -12.950 4.769 1.00 0.00 C ATOM 635 CG GLU A 91 -0.306 -13.900 3.571 1.00 0.00 C ATOM 636 CD GLU A 91 0.065 -15.305 4.030 1.00 0.00 C ATOM 637 OE1 GLU A 91 -0.705 -15.887 4.776 1.00 0.00 O ATOM 638 OE2 GLU A 91 1.115 -15.780 3.628 1.00 0.00 O ATOM 0 H GLU A 91 1.598 -14.236 5.728 1.00 0.00 H new ATOM 0 HA GLU A 91 1.482 -12.042 3.957 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.577 -13.485 5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.022 -12.155 4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.294 -13.906 3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.397 -13.556 2.812 1.00 0.00 H new ATOM 645 N THR A 92 1.237 -9.963 5.291 1.00 0.00 N ATOM 646 CA THR A 92 1.188 -8.733 6.075 1.00 0.00 C ATOM 647 C THR A 92 0.084 -7.818 5.559 1.00 0.00 C ATOM 648 O THR A 92 0.116 -7.368 4.414 1.00 0.00 O ATOM 649 CB THR A 92 2.525 -7.994 5.997 1.00 0.00 C ATOM 650 OG1 THR A 92 3.587 -8.937 6.013 1.00 0.00 O ATOM 651 CG2 THR A 92 2.659 -7.052 7.194 1.00 0.00 C ATOM 0 H THR A 92 1.439 -9.829 4.300 1.00 0.00 H new ATOM 0 HA THR A 92 0.983 -9.002 7.111 1.00 0.00 H new ATOM 0 HB THR A 92 2.567 -7.415 5.075 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.444 -8.465 5.961 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.612 -6.526 7.138 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.844 -6.329 7.181 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.617 -7.629 8.118 1.00 0.00 H new ATOM 659 N GLU A 93 -0.894 -7.549 6.418 1.00 0.00 N ATOM 660 CA GLU A 93 -2.008 -6.686 6.037 1.00 0.00 C ATOM 661 C GLU A 93 -1.627 -5.219 6.204 1.00 0.00 C ATOM 662 O GLU A 93 -1.065 -4.820 7.224 1.00 0.00 O ATOM 663 CB GLU A 93 -3.235 -6.984 6.900 1.00 0.00 C ATOM 664 CG GLU A 93 -3.571 -8.475 6.814 1.00 0.00 C ATOM 665 CD GLU A 93 -2.924 -9.213 7.980 1.00 0.00 C ATOM 666 OE1 GLU A 93 -3.523 -9.243 9.042 1.00 0.00 O ATOM 667 OE2 GLU A 93 -1.837 -9.736 7.794 1.00 0.00 O ATOM 0 H GLU A 93 -0.939 -7.910 7.371 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.244 -6.883 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.041 -6.703 7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.084 -6.389 6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.652 -8.616 6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.215 -8.884 5.869 1.00 0.00 H new ATOM 674 N ILE A 94 -1.944 -4.420 5.189 1.00 0.00 N ATOM 675 CA ILE A 94 -1.635 -2.995 5.231 1.00 0.00 C ATOM 676 C ILE A 94 -2.897 -2.192 5.522 1.00 0.00 C ATOM 677 O ILE A 94 -4.007 -2.621 5.208 1.00 0.00 O ATOM 678 CB ILE A 94 -1.042 -2.529 3.896 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.107 -3.462 3.476 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.517 -1.097 4.042 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.212 -3.463 4.540 1.00 0.00 C ATOM 0 H ILE A 94 -2.410 -4.731 4.336 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.904 -2.832 6.023 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.818 -2.556 3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.271 -4.474 3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.515 -3.138 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.095 -0.766 3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.336 -0.436 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.255 -1.069 4.811 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.017 -4.128 4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.602 -2.452 4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.803 -3.810 5.489 1.00 0.00 H new ATOM 693 N ASN A 95 -2.717 -1.023 6.127 1.00 0.00 N ATOM 694 CA ASN A 95 -3.854 -0.168 6.460 1.00 0.00 C ATOM 695 C ASN A 95 -3.518 1.295 6.193 1.00 0.00 C ATOM 696 O ASN A 95 -2.370 1.719 6.324 1.00 0.00 O ATOM 697 CB ASN A 95 -4.237 -0.334 7.930 1.00 0.00 C ATOM 698 CG ASN A 95 -4.489 -1.808 8.227 1.00 0.00 C ATOM 699 OD1 ASN A 95 -5.525 -2.356 7.850 1.00 0.00 O ATOM 700 ND2 ASN A 95 -3.593 -2.490 8.886 1.00 0.00 N ATOM 0 H ASN A 95 -1.807 -0.648 6.395 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.694 -0.466 5.832 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.440 0.046 8.569 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.130 0.250 8.152 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.751 -3.477 9.089 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.735 -2.036 9.198 1.00 0.00 H new ATOM 707 N ALA A 96 -4.537 2.060 5.814 1.00 0.00 N ATOM 708 CA ALA A 96 -4.346 3.480 5.524 1.00 0.00 C ATOM 709 C ALA A 96 -3.858 4.220 6.775 1.00 0.00 C ATOM 710 O ALA A 96 -4.334 3.959 7.880 1.00 0.00 O ATOM 711 CB ALA A 96 -5.659 4.109 5.054 1.00 0.00 C ATOM 0 H ALA A 96 -5.494 1.727 5.701 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.598 3.567 4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.501 5.166 4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.001 3.605 4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.412 4.004 5.835 1.00 0.00 H new ATOM 717 N PRO A 97 -2.904 5.152 6.621 1.00 0.00 N ATOM 718 CA PRO A 97 -2.368 5.917 7.756 1.00 0.00 C ATOM 719 C PRO A 97 -3.328 7.007 8.228 1.00 0.00 C ATOM 720 O PRO A 97 -3.336 7.383 9.400 1.00 0.00 O ATOM 721 CB PRO A 97 -1.090 6.544 7.207 1.00 0.00 C ATOM 722 CG PRO A 97 -1.294 6.631 5.732 1.00 0.00 C ATOM 723 CD PRO A 97 -2.262 5.545 5.352 1.00 0.00 C ATOM 0 HA PRO A 97 -2.204 5.279 8.625 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.919 7.530 7.639 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.219 5.935 7.448 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.686 7.610 5.455 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.348 6.505 5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.997 5.904 4.632 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.749 4.701 4.890 1.00 0.00 H new ATOM 731 N THR A 98 -4.138 7.511 7.299 1.00 0.00 N ATOM 732 CA THR A 98 -5.098 8.560 7.629 1.00 0.00 C ATOM 733 C THR A 98 -6.373 8.396 6.808 1.00 0.00 C ATOM 734 O THR A 98 -6.420 7.618 5.856 1.00 0.00 O ATOM 735 CB THR A 98 -4.499 9.940 7.347 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.768 9.896 6.129 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.565 10.337 8.491 1.00 0.00 C ATOM 0 H THR A 98 -4.149 7.214 6.323 1.00 0.00 H new ATOM 0 HA THR A 98 -5.336 8.476 8.689 1.00 0.00 H new ATOM 0 HB THR A 98 -5.300 10.675 7.265 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.385 10.779 5.945 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.139 11.320 8.289 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.127 10.370 9.425 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.762 9.604 8.576 1.00 0.00 H new ATOM 745 N ASP A 99 -7.407 9.140 7.191 1.00 0.00 N ATOM 746 CA ASP A 99 -8.685 9.074 6.487 1.00 0.00 C ATOM 747 C ASP A 99 -8.562 9.690 5.097 1.00 0.00 C ATOM 748 O ASP A 99 -7.878 10.696 4.905 1.00 0.00 O ATOM 749 CB ASP A 99 -9.770 9.820 7.267 1.00 0.00 C ATOM 750 CG ASP A 99 -9.293 11.234 7.581 1.00 0.00 C ATOM 751 OD1 ASP A 99 -8.604 11.399 8.574 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.625 12.131 6.824 1.00 0.00 O ATOM 0 H ASP A 99 -7.387 9.790 7.977 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.962 8.024 6.397 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.691 9.857 6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.998 9.289 8.191 1.00 0.00 H new ATOM 757 N GLY A 100 -9.235 9.073 4.132 1.00 0.00 N ATOM 758 CA GLY A 100 -9.201 9.560 2.756 1.00 0.00 C ATOM 759 C GLY A 100 -9.609 8.453 1.790 1.00 0.00 C ATOM 760 O GLY A 100 -10.110 7.408 2.203 1.00 0.00 O ATOM 0 H GLY A 100 -9.807 8.241 4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.873 10.411 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.199 9.912 2.513 1.00 0.00 H new ATOM 764 N LYS A 101 -9.387 8.688 0.500 1.00 0.00 N ATOM 765 CA LYS A 101 -9.736 7.692 -0.507 1.00 0.00 C ATOM 766 C LYS A 101 -8.550 7.426 -1.436 1.00 0.00 C ATOM 767 O LYS A 101 -7.557 8.154 -1.428 1.00 0.00 O ATOM 768 CB LYS A 101 -10.955 8.148 -1.327 1.00 0.00 C ATOM 769 CG LYS A 101 -10.600 9.364 -2.189 1.00 0.00 C ATOM 770 CD LYS A 101 -11.863 9.895 -2.873 1.00 0.00 C ATOM 771 CE LYS A 101 -12.156 9.063 -4.122 1.00 0.00 C ATOM 772 NZ LYS A 101 -13.384 9.541 -4.820 1.00 0.00 N ATOM 0 H LYS A 101 -8.974 9.545 0.132 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.991 6.767 0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.298 7.332 -1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.778 8.398 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.154 10.143 -1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.858 9.087 -2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.708 9.849 -2.186 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.729 10.942 -3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.306 9.114 -4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.279 8.016 -3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.554 8.956 -5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.199 9.469 -4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.256 10.532 -5.107 1.00 0.00 H new ATOM 786 N VAL A 102 -8.673 6.373 -2.233 1.00 0.00 N ATOM 787 CA VAL A 102 -7.619 6.002 -3.172 1.00 0.00 C ATOM 788 C VAL A 102 -7.725 6.834 -4.449 1.00 0.00 C ATOM 789 O VAL A 102 -8.665 6.680 -5.229 1.00 0.00 O ATOM 790 CB VAL A 102 -7.720 4.516 -3.523 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.521 4.101 -4.379 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.734 3.688 -2.234 1.00 0.00 C ATOM 0 H VAL A 102 -9.489 5.761 -2.249 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.656 6.195 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.639 4.342 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.599 3.042 -4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.509 4.687 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.599 4.278 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.806 2.629 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.815 3.868 -1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.591 3.977 -1.625 1.00 0.00 H new ATOM 802 N GLU A 103 -6.749 7.711 -4.655 1.00 0.00 N ATOM 803 CA GLU A 103 -6.741 8.557 -5.847 1.00 0.00 C ATOM 804 C GLU A 103 -5.929 7.901 -6.960 1.00 0.00 C ATOM 805 O GLU A 103 -6.204 8.092 -8.145 1.00 0.00 O ATOM 806 CB GLU A 103 -6.146 9.932 -5.531 1.00 0.00 C ATOM 807 CG GLU A 103 -4.773 9.764 -4.878 1.00 0.00 C ATOM 808 CD GLU A 103 -4.029 11.094 -4.906 1.00 0.00 C ATOM 809 OE1 GLU A 103 -4.178 11.853 -3.961 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.323 11.337 -5.869 1.00 0.00 O ATOM 0 H GLU A 103 -5.962 7.856 -4.023 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.772 8.682 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.055 10.518 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.811 10.482 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.887 9.421 -3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.198 9.003 -5.406 1.00 0.00 H new ATOM 817 N LYS A 104 -4.923 7.120 -6.569 1.00 0.00 N ATOM 818 CA LYS A 104 -4.077 6.436 -7.541 1.00 0.00 C ATOM 819 C LYS A 104 -3.375 5.248 -6.888 1.00 0.00 C ATOM 820 O LYS A 104 -2.752 5.381 -5.835 1.00 0.00 O ATOM 821 CB LYS A 104 -3.024 7.395 -8.105 1.00 0.00 C ATOM 822 CG LYS A 104 -2.781 7.081 -9.586 1.00 0.00 C ATOM 823 CD LYS A 104 -1.556 6.173 -9.725 1.00 0.00 C ATOM 824 CE LYS A 104 -1.091 6.166 -11.183 1.00 0.00 C ATOM 825 NZ LYS A 104 0.314 5.684 -11.304 1.00 0.00 N ATOM 0 H LYS A 104 -4.677 6.947 -5.594 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.712 6.082 -8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.359 8.426 -7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.094 7.299 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.657 6.594 -10.013 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.626 8.005 -10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.753 6.525 -9.077 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.802 5.160 -9.405 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.748 5.527 -11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.169 7.172 -11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.582 5.643 -12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.949 6.337 -10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.393 4.735 -10.886 1.00 0.00 H new ATOM 839 N VAL A 105 -3.487 4.086 -7.524 1.00 0.00 N ATOM 840 CA VAL A 105 -2.860 2.876 -6.995 1.00 0.00 C ATOM 841 C VAL A 105 -1.568 2.581 -7.751 1.00 0.00 C ATOM 842 O VAL A 105 -1.590 2.132 -8.897 1.00 0.00 O ATOM 843 CB VAL A 105 -3.806 1.674 -7.126 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.223 0.467 -6.376 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.178 2.032 -6.536 1.00 0.00 C ATOM 0 H VAL A 105 -3.999 3.955 -8.396 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.638 3.042 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.919 1.421 -8.180 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.899 -0.383 -6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.253 0.209 -6.800 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.103 0.717 -5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.848 1.178 -6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.065 2.291 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.596 2.882 -7.076 1.00 0.00 H new ATOM 855 N LEU A 106 -0.439 2.843 -7.095 1.00 0.00 N ATOM 856 CA LEU A 106 0.867 2.609 -7.713 1.00 0.00 C ATOM 857 C LEU A 106 1.337 1.162 -7.524 1.00 0.00 C ATOM 858 O LEU A 106 2.486 0.835 -7.825 1.00 0.00 O ATOM 859 CB LEU A 106 1.915 3.544 -7.106 1.00 0.00 C ATOM 860 CG LEU A 106 1.542 5.029 -7.083 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.199 5.707 -5.879 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.034 5.695 -8.370 1.00 0.00 C ATOM 0 H LEU A 106 -0.400 3.214 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 106 0.755 2.805 -8.779 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.115 3.222 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.845 3.430 -7.664 1.00 0.00 H new ATOM 0 HG LEU A 106 0.459 5.129 -7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.932 6.764 -5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.852 5.233 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.282 5.608 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.770 6.752 -8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.117 5.592 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.566 5.215 -9.230 1.00 0.00 H new ATOM 874 N VAL A 107 0.455 0.295 -7.025 1.00 0.00 N ATOM 875 CA VAL A 107 0.822 -1.103 -6.812 1.00 0.00 C ATOM 876 C VAL A 107 -0.211 -2.031 -7.440 1.00 0.00 C ATOM 877 O VAL A 107 -1.405 -1.731 -7.467 1.00 0.00 O ATOM 878 CB VAL A 107 0.918 -1.409 -5.317 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.080 -0.623 -4.709 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.387 -1.003 -4.628 1.00 0.00 C ATOM 0 H VAL A 107 -0.503 0.531 -6.765 1.00 0.00 H new ATOM 0 HA VAL A 107 1.791 -1.268 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 107 1.087 -2.476 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.149 -0.841 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.010 -0.911 -5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.911 0.444 -4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.319 -1.221 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.557 0.064 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.216 -1.563 -5.061 1.00 0.00 H new ATOM 890 N LYS A 108 0.263 -3.167 -7.943 1.00 0.00 N ATOM 891 CA LYS A 108 -0.625 -4.143 -8.569 1.00 0.00 C ATOM 892 C LYS A 108 -0.399 -5.526 -7.966 1.00 0.00 C ATOM 893 O LYS A 108 0.586 -5.759 -7.266 1.00 0.00 O ATOM 894 CB LYS A 108 -0.372 -4.210 -10.076 1.00 0.00 C ATOM 895 CG LYS A 108 -1.221 -3.152 -10.784 1.00 0.00 C ATOM 896 CD LYS A 108 -0.888 -3.146 -12.277 1.00 0.00 C ATOM 897 CE LYS A 108 -1.767 -4.165 -13.001 1.00 0.00 C ATOM 898 NZ LYS A 108 -1.169 -4.570 -14.307 1.00 0.00 N ATOM 0 H LYS A 108 1.247 -3.434 -7.930 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.653 -3.828 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.685 -4.044 -10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.620 -5.202 -10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.280 -3.363 -10.638 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.029 -2.169 -10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.049 -2.151 -12.692 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.164 -3.387 -12.426 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.900 -5.045 -12.372 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.757 -3.740 -13.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.790 -5.262 -14.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.065 -3.733 -14.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.235 -4.997 -14.144 1.00 0.00 H new ATOM 912 N GLU A 109 -1.323 -6.439 -8.243 1.00 0.00 N ATOM 913 CA GLU A 109 -1.215 -7.798 -7.721 1.00 0.00 C ATOM 914 C GLU A 109 0.027 -8.484 -8.282 1.00 0.00 C ATOM 915 O GLU A 109 0.370 -8.322 -9.452 1.00 0.00 O ATOM 916 CB GLU A 109 -2.451 -8.617 -8.100 1.00 0.00 C ATOM 917 CG GLU A 109 -3.603 -8.267 -7.156 1.00 0.00 C ATOM 918 CD GLU A 109 -4.918 -8.762 -7.752 1.00 0.00 C ATOM 919 OE1 GLU A 109 -5.319 -8.231 -8.774 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.503 -9.664 -7.176 1.00 0.00 O ATOM 0 H GLU A 109 -2.147 -6.267 -8.819 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.140 -7.738 -6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.736 -8.409 -9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.228 -9.682 -8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.439 -8.724 -6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.645 -7.189 -7.000 1.00 0.00 H new ATOM 927 N ARG A 110 0.697 -9.257 -7.427 1.00 0.00 N ATOM 928 CA ARG A 110 1.906 -9.976 -7.835 1.00 0.00 C ATOM 929 C ARG A 110 3.029 -8.996 -8.170 1.00 0.00 C ATOM 930 O ARG A 110 3.820 -9.222 -9.087 1.00 0.00 O ATOM 931 CB ARG A 110 1.632 -10.861 -9.057 1.00 0.00 C ATOM 932 CG ARG A 110 0.413 -11.745 -8.786 1.00 0.00 C ATOM 933 CD ARG A 110 0.813 -12.900 -7.868 1.00 0.00 C ATOM 934 NE ARG A 110 -0.189 -13.962 -7.909 1.00 0.00 N ATOM 935 CZ ARG A 110 -0.282 -14.775 -8.957 1.00 0.00 C ATOM 936 NH1 ARG A 110 -0.973 -14.413 -10.005 1.00 0.00 N ATOM 937 NH2 ARG A 110 0.316 -15.934 -8.941 1.00 0.00 N ATOM 0 H ARG A 110 0.426 -9.401 -6.454 1.00 0.00 H new ATOM 0 HA ARG A 110 2.211 -10.605 -6.999 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.456 -10.241 -9.936 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.503 -11.480 -9.273 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.380 -11.157 -8.324 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.016 -12.133 -9.724 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.782 -13.295 -8.173 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.924 -12.537 -6.846 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.827 -14.082 -7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.441 -13.507 -10.019 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.044 -15.037 -10.809 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.856 -16.218 -8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.244 -16.556 -9.746 1.00 0.00 H new ATOM 951 N ASP A 111 3.095 -7.905 -7.410 1.00 0.00 N ATOM 952 CA ASP A 111 4.129 -6.897 -7.630 1.00 0.00 C ATOM 953 C ASP A 111 4.959 -6.706 -6.364 1.00 0.00 C ATOM 954 O ASP A 111 4.425 -6.655 -5.256 1.00 0.00 O ATOM 955 CB ASP A 111 3.504 -5.558 -8.023 1.00 0.00 C ATOM 956 CG ASP A 111 2.831 -5.689 -9.385 1.00 0.00 C ATOM 957 OD1 ASP A 111 2.282 -6.744 -9.653 1.00 0.00 O ATOM 958 OD2 ASP A 111 2.877 -4.733 -10.141 1.00 0.00 O ATOM 0 H ASP A 111 2.453 -7.698 -6.645 1.00 0.00 H new ATOM 0 HA ASP A 111 4.770 -7.245 -8.440 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.774 -5.252 -7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.270 -4.783 -8.057 1.00 0.00 H new ATOM 963 N ALA A 112 6.273 -6.603 -6.541 1.00 0.00 N ATOM 964 CA ALA A 112 7.173 -6.419 -5.405 1.00 0.00 C ATOM 965 C ALA A 112 7.378 -4.934 -5.120 1.00 0.00 C ATOM 966 O ALA A 112 7.608 -4.138 -6.029 1.00 0.00 O ATOM 967 CB ALA A 112 8.531 -7.063 -5.687 1.00 0.00 C ATOM 0 H ALA A 112 6.735 -6.643 -7.449 1.00 0.00 H new ATOM 0 HA ALA A 112 6.718 -6.896 -4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.188 -6.916 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.398 -8.130 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 112 8.976 -6.602 -6.569 1.00 0.00 H new ATOM 973 N VAL A 113 7.291 -4.572 -3.842 1.00 0.00 N ATOM 974 CA VAL A 113 7.469 -3.180 -3.440 1.00 0.00 C ATOM 975 C VAL A 113 8.631 -3.055 -2.459 1.00 0.00 C ATOM 976 O VAL A 113 9.003 -4.018 -1.789 1.00 0.00 O ATOM 977 CB VAL A 113 6.198 -2.647 -2.776 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.067 -2.601 -3.805 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.799 -3.571 -1.624 1.00 0.00 C ATOM 0 H VAL A 113 7.100 -5.216 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 113 7.683 -2.596 -4.335 1.00 0.00 H new ATOM 0 HB VAL A 113 6.382 -1.644 -2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.161 -2.221 -3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.350 -1.944 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.883 -3.605 -4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.893 -3.192 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.614 -4.574 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.604 -3.607 -0.890 1.00 0.00 H new ATOM 989 N GLN A 114 9.200 -1.855 -2.383 1.00 0.00 N ATOM 990 CA GLN A 114 10.321 -1.612 -1.480 1.00 0.00 C ATOM 991 C GLN A 114 9.830 -0.981 -0.181 1.00 0.00 C ATOM 992 O GLN A 114 8.898 -0.177 -0.179 1.00 0.00 O ATOM 993 CB GLN A 114 11.342 -0.678 -2.133 1.00 0.00 C ATOM 994 CG GLN A 114 11.864 -1.313 -3.424 1.00 0.00 C ATOM 995 CD GLN A 114 12.756 -0.317 -4.157 1.00 0.00 C ATOM 996 OE1 GLN A 114 12.289 0.732 -4.603 1.00 0.00 O ATOM 997 NE2 GLN A 114 14.023 -0.584 -4.311 1.00 0.00 N ATOM 0 H GLN A 114 8.908 -1.044 -2.929 1.00 0.00 H new ATOM 0 HA GLN A 114 10.793 -2.570 -1.264 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.882 0.286 -2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.169 -0.490 -1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.425 -2.219 -3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.029 -1.607 -4.061 1.00 0.00 H new ATOM 0 HE21 GLN A 114 14.410 -1.453 -3.942 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.627 0.076 -4.801 1.00 0.00 H new ATOM 1006 N GLY A 115 10.467 -1.355 0.925 1.00 0.00 N ATOM 1007 CA GLY A 115 10.089 -0.821 2.230 1.00 0.00 C ATOM 1008 C GLY A 115 10.247 0.696 2.261 1.00 0.00 C ATOM 1009 O GLY A 115 11.362 1.218 2.276 1.00 0.00 O ATOM 0 H GLY A 115 11.240 -2.020 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.056 -1.088 2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.708 -1.272 3.006 1.00 0.00 H new ATOM 1013 N GLY A 116 9.116 1.396 2.265 1.00 0.00 N ATOM 1014 CA GLY A 116 9.138 2.856 2.290 1.00 0.00 C ATOM 1015 C GLY A 116 8.577 3.435 0.994 1.00 0.00 C ATOM 1016 O GLY A 116 8.052 4.549 0.972 1.00 0.00 O ATOM 0 H GLY A 116 8.184 0.983 2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.554 3.217 3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.160 3.205 2.436 1.00 0.00 H new ATOM 1020 N GLN A 117 8.692 2.668 -0.091 1.00 0.00 N ATOM 1021 CA GLN A 117 8.193 3.118 -1.389 1.00 0.00 C ATOM 1022 C GLN A 117 6.692 3.388 -1.324 1.00 0.00 C ATOM 1023 O GLN A 117 5.948 2.684 -0.642 1.00 0.00 O ATOM 1024 CB GLN A 117 8.460 2.061 -2.463 1.00 0.00 C ATOM 1025 CG GLN A 117 8.154 2.647 -3.842 1.00 0.00 C ATOM 1026 CD GLN A 117 8.423 1.595 -4.913 1.00 0.00 C ATOM 1027 OE1 GLN A 117 9.496 1.573 -5.515 1.00 0.00 O ATOM 1028 NE2 GLN A 117 7.502 0.714 -5.189 1.00 0.00 N ATOM 0 H GLN A 117 9.121 1.743 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 117 8.717 4.039 -1.645 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.499 1.735 -2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.842 1.181 -2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.114 2.971 -3.889 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.771 3.528 -4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.613 0.732 -4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.671 0.006 -5.904 1.00 0.00 H new ATOM 1037 N GLY A 118 6.258 4.418 -2.044 1.00 0.00 N ATOM 1038 CA GLY A 118 4.844 4.780 -2.065 1.00 0.00 C ATOM 1039 C GLY A 118 4.003 3.641 -2.631 1.00 0.00 C ATOM 1040 O GLY A 118 4.184 3.224 -3.775 1.00 0.00 O ATOM 0 H GLY A 118 6.858 5.012 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.510 5.018 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.702 5.677 -2.668 1.00 0.00 H new ATOM 1044 N LEU A 119 3.077 3.145 -1.815 1.00 0.00 N ATOM 1045 CA LEU A 119 2.206 2.053 -2.241 1.00 0.00 C ATOM 1046 C LEU A 119 0.948 2.610 -2.900 1.00 0.00 C ATOM 1047 O LEU A 119 0.596 2.235 -4.018 1.00 0.00 O ATOM 1048 CB LEU A 119 1.804 1.190 -1.045 1.00 0.00 C ATOM 1049 CG LEU A 119 2.964 0.552 -0.276 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.434 -0.098 1.003 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.628 -0.515 -1.150 1.00 0.00 C ATOM 0 H LEU A 119 2.911 3.477 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 119 2.754 1.441 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.226 1.803 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 119 1.144 0.397 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 119 3.694 1.320 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.260 -0.552 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.959 0.660 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.704 -0.866 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.454 -0.970 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.897 -1.281 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 119 4.006 -0.054 -2.062 1.00 0.00 H new ATOM 1063 N ILE A 120 0.275 3.512 -2.192 1.00 0.00 N ATOM 1064 CA ILE A 120 -0.945 4.122 -2.714 1.00 0.00 C ATOM 1065 C ILE A 120 -1.044 5.573 -2.257 1.00 0.00 C ATOM 1066 O ILE A 120 -0.656 5.916 -1.140 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.185 3.364 -2.229 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.020 1.867 -2.522 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.422 3.896 -2.960 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.216 1.097 -1.953 1.00 0.00 C ATOM 0 H ILE A 120 0.550 3.835 -1.264 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.901 4.078 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.304 3.510 -1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -1.947 1.702 -3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.094 1.499 -2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.306 3.359 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.539 4.959 -2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.302 3.749 -4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.097 0.034 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.269 1.251 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.134 1.457 -2.416 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.574 6.421 -3.133 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.727 7.835 -2.808 1.00 0.00 C ATOM 1084 C LYS A 121 -3.130 8.102 -2.272 1.00 0.00 C ATOM 1085 O LYS A 121 -4.120 7.614 -2.816 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.491 8.700 -4.046 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.050 10.100 -3.614 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.392 10.815 -4.795 1.00 0.00 C ATOM 1089 CE LYS A 121 0.703 11.751 -4.279 1.00 0.00 C ATOM 1090 NZ LYS A 121 1.817 11.878 -5.263 1.00 0.00 N ATOM 0 H LYS A 121 -1.901 6.158 -4.063 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.989 8.090 -2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -0.729 8.246 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.403 8.761 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.909 10.671 -3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.350 10.032 -2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.033 10.086 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.138 11.382 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.278 12.735 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.092 11.373 -3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.543 12.519 -4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 2.237 10.942 -5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.449 12.262 -6.157 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.202 8.879 -1.196 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.490 9.202 -0.590 1.00 0.00 C ATOM 1106 C ILE A 122 -4.841 10.666 -0.835 1.00 0.00 C ATOM 1107 O ILE A 122 -3.975 11.540 -0.817 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.452 8.938 0.920 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.954 7.507 1.184 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.854 9.115 1.513 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.888 6.482 0.524 1.00 0.00 C ATOM 0 H ILE A 122 -2.395 9.293 -0.730 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.249 8.567 -1.048 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.772 9.648 1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.943 7.390 0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.905 7.325 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.822 8.926 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.199 10.133 1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.540 8.411 1.041 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.520 5.475 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.892 6.588 0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.915 6.654 -0.552 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.125 10.919 -1.065 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.591 12.280 -1.316 1.00 0.00 C ATOM 1125 C GLY A 123 -7.684 12.670 -0.327 1.00 0.00 C ATOM 1126 O GLY A 123 -7.480 12.476 0.859 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.712 13.157 -0.771 1.00 0.00 O ATOM 0 H GLY A 123 -6.856 10.208 -1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -5.756 12.976 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.972 12.357 -2.334 1.00 0.00 H new TER 1131 GLY A 123