USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 747 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 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 98 THR OG1 : rot -160:sc=-0.00331 USER MOD Set 2.1: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 79 TYR OH : rot 2:sc= 1.64 USER MOD Set 3.1: A 24 HIS : no HE2:sc= -0.963! C(o=-1.8!,f=-6.6!) USER MOD Set 3.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 65 THR OG1 : rot -62:sc= -0.843! USER MOD Single : A 1 HIS : no HD1:sc= -0.0578 X(o=-0.058,f=-0.058) USER MOD Single : A 1 HIS N :NH3+ -129:sc= 0.00583 (180deg=-0.113) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.635 USER MOD Single : A 7 SER OG : rot 180:sc= -1.86! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -5.12! C(o=-5.1!,f=-2.5!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -4.26! C(o=-4.3!,f=-5.7!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -139:sc= -0.816 (180deg=-1.96) USER MOD Single : A 41 THR OG1 : rot -59:sc= 1.04 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 101:sc= 1.25 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= -0.973 (180deg=-2.7!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -156:sc= -0.087 (180deg=-0.575) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -1.16 USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 87 SER OG : rot 149:sc= 0.239 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0.0256 K(o=0.026,f=-0.61) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 18.909 4.610 -5.354 1.00 8.07 N ATOM 2 CA HIS A 1 18.224 3.892 -4.293 1.00 7.29 C ATOM 3 C HIS A 1 17.092 3.053 -4.889 1.00 6.60 C ATOM 4 O HIS A 1 16.435 3.475 -5.840 1.00 6.27 O ATOM 5 CB HIS A 1 17.737 4.858 -3.210 1.00 6.98 C ATOM 6 CG HIS A 1 18.836 5.690 -2.592 1.00 7.83 C ATOM 7 ND1 HIS A 1 19.109 6.987 -2.992 1.00 8.04 N ATOM 8 CD2 HIS A 1 19.725 5.398 -1.599 1.00 9.00 C ATOM 9 CE1 HIS A 1 20.119 7.444 -2.266 1.00 9.10 C ATOM 10 NE2 HIS A 1 20.499 6.458 -1.404 1.00 9.66 N ATOM 0 H1 HIS A 1 19.933 4.447 -5.279 1.00 8.07 H new ATOM 0 H2 HIS A 1 18.571 4.271 -6.277 1.00 8.07 H new ATOM 0 H3 HIS A 1 18.714 5.628 -5.267 1.00 8.07 H new ATOM 0 HA HIS A 1 18.919 3.209 -3.805 1.00 7.29 H new ATOM 0 HB2 HIS A 1 16.989 5.524 -3.641 1.00 6.98 H new ATOM 0 HB3 HIS A 1 17.241 4.288 -2.425 1.00 6.98 H new ATOM 0 HD2 HIS A 1 19.788 4.463 -1.063 1.00 9.00 H new ATOM 0 HE1 HIS A 1 20.563 8.425 -2.343 1.00 9.10 H new ATOM 0 HE2 HIS A 1 21.254 6.524 -0.722 1.00 9.66 H new ATOM 20 N PRO A 2 16.894 1.848 -4.290 1.00 7.01 N ATOM 21 CA PRO A 2 15.853 0.945 -4.752 1.00 6.99 C ATOM 22 C PRO A 2 14.470 1.431 -4.311 1.00 5.91 C ATOM 23 O PRO A 2 14.084 1.249 -3.158 1.00 6.25 O ATOM 24 CB PRO A 2 16.220 -0.409 -4.169 1.00 8.42 C ATOM 25 CG PRO A 2 17.185 -0.125 -3.029 1.00 8.94 C ATOM 26 CD PRO A 2 17.651 1.315 -3.162 1.00 8.11 C ATOM 0 HA PRO A 2 15.793 0.893 -5.839 1.00 6.99 H new ATOM 0 HB2 PRO A 2 15.334 -0.932 -3.809 1.00 8.42 H new ATOM 0 HB3 PRO A 2 16.683 -1.046 -4.923 1.00 8.42 H new ATOM 0 HG2 PRO A 2 16.696 -0.281 -2.067 1.00 8.94 H new ATOM 0 HG3 PRO A 2 18.035 -0.807 -3.069 1.00 8.94 H new ATOM 0 HD2 PRO A 2 17.454 1.880 -2.251 1.00 8.11 H new ATOM 0 HD3 PRO A 2 18.724 1.368 -3.345 1.00 8.11 H new ATOM 34 N LYS A 3 13.764 2.039 -5.253 1.00 4.74 N ATOM 35 CA LYS A 3 12.433 2.552 -4.976 1.00 3.73 C ATOM 36 C LYS A 3 11.410 1.783 -5.816 1.00 2.71 C ATOM 37 O LYS A 3 11.771 1.121 -6.788 1.00 3.07 O ATOM 38 CB LYS A 3 12.388 4.066 -5.187 1.00 4.00 C ATOM 39 CG LYS A 3 11.428 4.730 -4.197 1.00 3.93 C ATOM 40 CD LYS A 3 10.270 5.410 -4.930 1.00 3.97 C ATOM 41 CE LYS A 3 10.432 6.931 -4.917 1.00 4.20 C ATOM 42 NZ LYS A 3 9.139 7.592 -5.206 1.00 4.34 N ATOM 0 H LYS A 3 14.088 2.188 -6.209 1.00 4.74 H new ATOM 0 HA LYS A 3 12.173 2.391 -3.930 1.00 3.73 H new ATOM 0 HB2 LYS A 3 13.388 4.483 -5.065 1.00 4.00 H new ATOM 0 HB3 LYS A 3 12.073 4.285 -6.207 1.00 4.00 H new ATOM 0 HG2 LYS A 3 11.037 3.983 -3.506 1.00 3.93 H new ATOM 0 HG3 LYS A 3 11.967 5.465 -3.599 1.00 3.93 H new ATOM 0 HD2 LYS A 3 10.227 5.054 -5.959 1.00 3.97 H new ATOM 0 HD3 LYS A 3 9.326 5.137 -4.459 1.00 3.97 H new ATOM 0 HE2 LYS A 3 10.804 7.255 -3.945 1.00 4.20 H new ATOM 0 HE3 LYS A 3 11.174 7.230 -5.658 1.00 4.20 H new ATOM 0 HZ1 LYS A 3 9.266 8.624 -5.193 1.00 4.34 H new ATOM 0 HZ2 LYS A 3 8.800 7.296 -6.144 1.00 4.34 H new ATOM 0 HZ3 LYS A 3 8.441 7.320 -4.484 1.00 4.34 H new ATOM 56 N LEU A 4 10.155 1.896 -5.408 1.00 1.69 N ATOM 57 CA LEU A 4 9.077 1.219 -6.110 1.00 1.07 C ATOM 58 C LEU A 4 9.038 1.701 -7.562 1.00 0.85 C ATOM 59 O LEU A 4 8.683 2.848 -7.829 1.00 0.87 O ATOM 60 CB LEU A 4 7.754 1.404 -5.365 1.00 0.97 C ATOM 61 CG LEU A 4 6.491 1.003 -6.132 1.00 0.71 C ATOM 62 CD1 LEU A 4 5.806 2.230 -6.739 1.00 1.10 C ATOM 63 CD2 LEU A 4 6.803 -0.059 -7.187 1.00 0.72 C ATOM 0 H LEU A 4 9.860 2.446 -4.601 1.00 1.69 H new ATOM 0 HA LEU A 4 9.255 0.144 -6.135 1.00 1.07 H new ATOM 0 HB2 LEU A 4 7.795 0.824 -4.443 1.00 0.97 H new ATOM 0 HB3 LEU A 4 7.664 2.452 -5.079 1.00 0.97 H new ATOM 0 HG LEU A 4 5.790 0.558 -5.426 1.00 0.71 H new ATOM 0 HD11 LEU A 4 4.912 1.918 -7.278 1.00 1.10 H new ATOM 0 HD12 LEU A 4 5.527 2.922 -5.944 1.00 1.10 H new ATOM 0 HD13 LEU A 4 6.491 2.725 -7.428 1.00 1.10 H new ATOM 0 HD21 LEU A 4 5.888 -0.325 -7.717 1.00 0.72 H new ATOM 0 HD22 LEU A 4 7.531 0.335 -7.896 1.00 0.72 H new ATOM 0 HD23 LEU A 4 7.212 -0.945 -6.701 1.00 0.72 H new ATOM 75 N VAL A 5 9.409 0.801 -8.461 1.00 0.72 N ATOM 76 CA VAL A 5 9.421 1.120 -9.878 1.00 0.57 C ATOM 77 C VAL A 5 8.026 1.582 -10.305 1.00 0.53 C ATOM 78 O VAL A 5 7.809 2.768 -10.550 1.00 0.57 O ATOM 79 CB VAL A 5 9.924 -0.082 -10.682 1.00 0.58 C ATOM 80 CG1 VAL A 5 9.844 0.191 -12.184 1.00 0.64 C ATOM 81 CG2 VAL A 5 11.347 -0.460 -10.267 1.00 0.66 C ATOM 0 H VAL A 5 9.704 -0.149 -8.235 1.00 0.72 H new ATOM 0 HA VAL A 5 10.111 1.940 -10.078 1.00 0.57 H new ATOM 0 HB VAL A 5 9.274 -0.929 -10.462 1.00 0.58 H new ATOM 0 HG11 VAL A 5 10.207 -0.679 -12.732 1.00 0.64 H new ATOM 0 HG12 VAL A 5 8.809 0.389 -12.463 1.00 0.64 H new ATOM 0 HG13 VAL A 5 10.458 1.057 -12.430 1.00 0.64 H new ATOM 0 HG21 VAL A 5 11.681 -1.316 -10.852 1.00 0.66 H new ATOM 0 HG22 VAL A 5 12.014 0.384 -10.445 1.00 0.66 H new ATOM 0 HG23 VAL A 5 11.361 -0.717 -9.208 1.00 0.66 H new ATOM 91 N SER A 6 7.117 0.622 -10.379 1.00 0.51 N ATOM 92 CA SER A 6 5.748 0.916 -10.772 1.00 0.48 C ATOM 93 C SER A 6 4.775 0.062 -9.956 1.00 0.47 C ATOM 94 O SER A 6 5.117 -1.040 -9.530 1.00 0.47 O ATOM 95 CB SER A 6 5.540 0.673 -12.268 1.00 0.49 C ATOM 96 OG SER A 6 6.679 1.058 -13.035 1.00 0.55 O ATOM 0 H SER A 6 7.300 -0.360 -10.174 1.00 0.51 H new ATOM 0 HA SER A 6 5.554 1.970 -10.572 1.00 0.48 H new ATOM 0 HB2 SER A 6 5.328 -0.383 -12.438 1.00 0.49 H new ATOM 0 HB3 SER A 6 4.668 1.232 -12.608 1.00 0.49 H new ATOM 0 HG SER A 6 6.507 0.886 -13.984 1.00 0.55 H new ATOM 102 N SER A 7 3.582 0.603 -9.763 1.00 0.47 N ATOM 103 CA SER A 7 2.556 -0.095 -9.006 1.00 0.47 C ATOM 104 C SER A 7 1.173 0.437 -9.386 1.00 0.47 C ATOM 105 O SER A 7 1.059 1.476 -10.033 1.00 0.48 O ATOM 106 CB SER A 7 2.788 0.052 -7.501 1.00 0.49 C ATOM 107 OG SER A 7 2.880 1.418 -7.106 1.00 0.49 O ATOM 0 H SER A 7 3.302 1.517 -10.118 1.00 0.47 H new ATOM 0 HA SER A 7 2.609 -1.155 -9.252 1.00 0.47 H new ATOM 0 HB2 SER A 7 1.972 -0.428 -6.960 1.00 0.49 H new ATOM 0 HB3 SER A 7 3.705 -0.468 -7.223 1.00 0.49 H new ATOM 0 HG SER A 7 3.026 1.470 -6.138 1.00 0.49 H new ATOM 113 N THR A 8 0.156 -0.301 -8.965 1.00 0.48 N ATOM 114 CA THR A 8 -1.216 0.083 -9.252 1.00 0.49 C ATOM 115 C THR A 8 -2.092 -0.096 -8.011 1.00 0.46 C ATOM 116 O THR A 8 -3.070 -0.841 -8.039 1.00 0.47 O ATOM 117 CB THR A 8 -1.693 -0.731 -10.455 1.00 0.53 C ATOM 118 OG1 THR A 8 -0.943 -0.209 -11.549 1.00 0.65 O ATOM 119 CG2 THR A 8 -3.148 -0.433 -10.825 1.00 0.77 C ATOM 0 H THR A 8 0.255 -1.162 -8.428 1.00 0.48 H new ATOM 0 HA THR A 8 -1.285 1.140 -9.509 1.00 0.49 H new ATOM 0 HB THR A 8 -1.584 -1.794 -10.239 1.00 0.53 H new ATOM 0 HG1 THR A 8 -1.190 -0.683 -12.370 1.00 0.65 H new ATOM 0 HG21 THR A 8 -3.436 -1.037 -11.685 1.00 0.77 H new ATOM 0 HG22 THR A 8 -3.794 -0.672 -9.981 1.00 0.77 H new ATOM 0 HG23 THR A 8 -3.251 0.623 -11.073 1.00 0.77 H new ATOM 127 N PRO A 9 -1.697 0.615 -6.921 1.00 0.44 N ATOM 128 CA PRO A 9 -2.435 0.541 -5.671 1.00 0.42 C ATOM 129 C PRO A 9 -3.742 1.333 -5.758 1.00 0.45 C ATOM 130 O PRO A 9 -4.824 0.749 -5.777 1.00 0.50 O ATOM 131 CB PRO A 9 -1.482 1.083 -4.619 1.00 0.41 C ATOM 132 CG PRO A 9 -0.425 1.869 -5.379 1.00 0.43 C ATOM 133 CD PRO A 9 -0.543 1.506 -6.850 1.00 0.44 C ATOM 0 HA PRO A 9 -2.744 -0.475 -5.424 1.00 0.42 H new ATOM 0 HB2 PRO A 9 -2.007 1.721 -3.908 1.00 0.41 H new ATOM 0 HB3 PRO A 9 -1.030 0.273 -4.047 1.00 0.41 H new ATOM 0 HG2 PRO A 9 -0.570 2.940 -5.237 1.00 0.43 H new ATOM 0 HG3 PRO A 9 0.571 1.630 -5.005 1.00 0.43 H new ATOM 0 HD2 PRO A 9 -0.689 2.393 -7.466 1.00 0.44 H new ATOM 0 HD3 PRO A 9 0.360 1.013 -7.210 1.00 0.44 H new ATOM 141 N ALA A 10 -3.596 2.648 -5.808 1.00 0.45 N ATOM 142 CA ALA A 10 -4.752 3.526 -5.893 1.00 0.48 C ATOM 143 C ALA A 10 -4.288 4.982 -5.815 1.00 0.46 C ATOM 144 O ALA A 10 -4.877 5.785 -5.093 1.00 0.47 O ATOM 145 CB ALA A 10 -5.746 3.170 -4.785 1.00 0.51 C ATOM 0 H ALA A 10 -2.696 3.128 -5.791 1.00 0.45 H new ATOM 0 HA ALA A 10 -5.265 3.394 -6.846 1.00 0.48 H new ATOM 0 HB1 ALA A 10 -6.613 3.828 -4.848 1.00 0.51 H new ATOM 0 HB2 ALA A 10 -6.067 2.135 -4.903 1.00 0.51 H new ATOM 0 HB3 ALA A 10 -5.267 3.293 -3.813 1.00 0.51 H new ATOM 151 N GLU A 11 -3.239 5.277 -6.568 1.00 0.46 N ATOM 152 CA GLU A 11 -2.691 6.621 -6.593 1.00 0.49 C ATOM 153 C GLU A 11 -3.818 7.653 -6.660 1.00 0.52 C ATOM 154 O GLU A 11 -4.500 7.769 -7.677 1.00 0.60 O ATOM 155 CB GLU A 11 -1.718 6.795 -7.761 1.00 0.56 C ATOM 156 CG GLU A 11 -0.295 7.047 -7.258 1.00 0.57 C ATOM 157 CD GLU A 11 0.447 8.020 -8.176 1.00 1.63 C ATOM 158 OE1 GLU A 11 0.875 7.511 -9.280 1.00 2.16 O ATOM 159 OE2 GLU A 11 0.598 9.202 -7.832 1.00 3.20 O ATOM 0 H GLU A 11 -2.754 4.607 -7.166 1.00 0.46 H new ATOM 0 HA GLU A 11 -2.132 6.781 -5.671 1.00 0.49 H new ATOM 0 HB2 GLU A 11 -1.733 5.903 -8.387 1.00 0.56 H new ATOM 0 HB3 GLU A 11 -2.040 7.629 -8.385 1.00 0.56 H new ATOM 0 HG2 GLU A 11 -0.329 7.451 -6.246 1.00 0.57 H new ATOM 0 HG3 GLU A 11 0.249 6.104 -7.207 1.00 0.57 H new ATOM 166 N GLY A 12 -3.979 8.379 -5.562 1.00 0.48 N ATOM 167 CA GLY A 12 -5.012 9.397 -5.484 1.00 0.52 C ATOM 168 C GLY A 12 -6.285 8.944 -6.202 1.00 0.58 C ATOM 169 O GLY A 12 -6.961 9.748 -6.843 1.00 0.71 O ATOM 0 H GLY A 12 -3.411 8.282 -4.720 1.00 0.48 H new ATOM 0 HA2 GLY A 12 -5.237 9.613 -4.439 1.00 0.52 H new ATOM 0 HA3 GLY A 12 -4.649 10.323 -5.930 1.00 0.52 H new ATOM 173 N SER A 13 -6.575 7.658 -6.070 1.00 0.55 N ATOM 174 CA SER A 13 -7.754 7.088 -6.698 1.00 0.62 C ATOM 175 C SER A 13 -9.010 7.505 -5.928 1.00 0.51 C ATOM 176 O SER A 13 -9.321 6.933 -4.885 1.00 0.51 O ATOM 177 CB SER A 13 -7.658 5.563 -6.769 1.00 0.78 C ATOM 178 OG SER A 13 -7.141 5.119 -8.020 1.00 1.22 O ATOM 0 H SER A 13 -6.013 6.994 -5.537 1.00 0.55 H new ATOM 0 HA SER A 13 -7.816 7.469 -7.717 1.00 0.62 H new ATOM 0 HB2 SER A 13 -7.018 5.202 -5.964 1.00 0.78 H new ATOM 0 HB3 SER A 13 -8.646 5.130 -6.610 1.00 0.78 H new ATOM 0 HG SER A 13 -7.093 4.140 -8.025 1.00 1.22 H new ATOM 184 N GLU A 14 -9.697 8.498 -6.474 1.00 0.53 N ATOM 185 CA GLU A 14 -10.911 8.998 -5.852 1.00 0.57 C ATOM 186 C GLU A 14 -12.140 8.526 -6.631 1.00 0.67 C ATOM 187 O GLU A 14 -12.318 8.886 -7.795 1.00 0.77 O ATOM 188 CB GLU A 14 -10.883 10.524 -5.742 1.00 0.74 C ATOM 189 CG GLU A 14 -9.571 11.005 -5.120 1.00 0.78 C ATOM 190 CD GLU A 14 -9.334 12.486 -5.419 1.00 1.01 C ATOM 191 OE1 GLU A 14 -8.687 12.726 -6.509 1.00 2.12 O ATOM 192 OE2 GLU A 14 -9.752 13.352 -4.637 1.00 1.46 O ATOM 0 H GLU A 14 -9.436 8.969 -7.340 1.00 0.53 H new ATOM 0 HA GLU A 14 -10.970 8.595 -4.841 1.00 0.57 H new ATOM 0 HB2 GLU A 14 -11.004 10.966 -6.731 1.00 0.74 H new ATOM 0 HB3 GLU A 14 -11.723 10.864 -5.136 1.00 0.74 H new ATOM 0 HG2 GLU A 14 -9.596 10.847 -4.042 1.00 0.78 H new ATOM 0 HG3 GLU A 14 -8.742 10.414 -5.509 1.00 0.78 H new ATOM 199 N GLY A 15 -12.957 7.728 -5.960 1.00 0.72 N ATOM 200 CA GLY A 15 -14.164 7.204 -6.576 1.00 0.89 C ATOM 201 C GLY A 15 -14.623 5.922 -5.878 1.00 0.72 C ATOM 202 O GLY A 15 -15.814 5.740 -5.627 1.00 0.84 O ATOM 0 H GLY A 15 -12.807 7.431 -4.996 1.00 0.72 H new ATOM 0 HA2 GLY A 15 -14.955 7.952 -6.528 1.00 0.89 H new ATOM 0 HA3 GLY A 15 -13.980 7.002 -7.631 1.00 0.89 H new ATOM 206 N ALA A 16 -13.655 5.067 -5.583 1.00 0.80 N ATOM 207 CA ALA A 16 -13.945 3.808 -4.918 1.00 0.94 C ATOM 208 C ALA A 16 -12.631 3.090 -4.602 1.00 1.27 C ATOM 209 O ALA A 16 -11.580 3.450 -5.128 1.00 1.88 O ATOM 210 CB ALA A 16 -14.870 2.967 -5.801 1.00 1.24 C ATOM 0 H ALA A 16 -12.669 5.221 -5.792 1.00 0.80 H new ATOM 0 HA ALA A 16 -14.462 3.981 -3.974 1.00 0.94 H new ATOM 0 HB1 ALA A 16 -15.088 2.022 -5.303 1.00 1.24 H new ATOM 0 HB2 ALA A 16 -15.800 3.509 -5.974 1.00 1.24 H new ATOM 0 HB3 ALA A 16 -14.382 2.770 -6.755 1.00 1.24 H new ATOM 216 N ALA A 17 -12.735 2.088 -3.740 1.00 1.06 N ATOM 217 CA ALA A 17 -11.568 1.317 -3.345 1.00 1.36 C ATOM 218 C ALA A 17 -11.335 0.197 -4.362 1.00 1.16 C ATOM 219 O ALA A 17 -12.283 -0.443 -4.814 1.00 1.08 O ATOM 220 CB ALA A 17 -11.766 0.783 -1.926 1.00 1.78 C ATOM 0 H ALA A 17 -13.609 1.793 -3.305 1.00 1.06 H new ATOM 0 HA ALA A 17 -10.677 1.945 -3.336 1.00 1.36 H new ATOM 0 HB1 ALA A 17 -10.891 0.205 -1.629 1.00 1.78 H new ATOM 0 HB2 ALA A 17 -11.899 1.618 -1.238 1.00 1.78 H new ATOM 0 HB3 ALA A 17 -12.649 0.145 -1.897 1.00 1.78 H new ATOM 226 N PRO A 18 -10.035 -0.010 -4.700 1.00 1.17 N ATOM 227 CA PRO A 18 -9.665 -1.041 -5.655 1.00 1.08 C ATOM 228 C PRO A 18 -9.758 -2.431 -5.024 1.00 1.00 C ATOM 229 O PRO A 18 -9.387 -2.617 -3.866 1.00 1.59 O ATOM 230 CB PRO A 18 -8.254 -0.682 -6.095 1.00 1.24 C ATOM 231 CG PRO A 18 -7.714 0.262 -5.034 1.00 1.38 C ATOM 232 CD PRO A 18 -8.886 0.729 -4.184 1.00 1.36 C ATOM 0 HA PRO A 18 -10.337 -1.081 -6.512 1.00 1.08 H new ATOM 0 HB2 PRO A 18 -7.632 -1.573 -6.178 1.00 1.24 H new ATOM 0 HB3 PRO A 18 -8.260 -0.205 -7.075 1.00 1.24 H new ATOM 0 HG2 PRO A 18 -6.972 -0.243 -4.416 1.00 1.38 H new ATOM 0 HG3 PRO A 18 -7.216 1.113 -5.498 1.00 1.38 H new ATOM 0 HD2 PRO A 18 -8.719 0.516 -3.128 1.00 1.36 H new ATOM 0 HD3 PRO A 18 -9.035 1.805 -4.272 1.00 1.36 H new ATOM 240 N ALA A 19 -10.256 -3.372 -5.813 1.00 0.79 N ATOM 241 CA ALA A 19 -10.403 -4.740 -5.346 1.00 0.87 C ATOM 242 C ALA A 19 -9.106 -5.185 -4.667 1.00 0.75 C ATOM 243 O ALA A 19 -9.138 -5.803 -3.604 1.00 0.78 O ATOM 244 CB ALA A 19 -10.785 -5.643 -6.521 1.00 1.19 C ATOM 0 H ALA A 19 -10.563 -3.214 -6.773 1.00 0.79 H new ATOM 0 HA ALA A 19 -11.202 -4.809 -4.608 1.00 0.87 H new ATOM 0 HB1 ALA A 19 -10.895 -6.669 -6.170 1.00 1.19 H new ATOM 0 HB2 ALA A 19 -11.728 -5.303 -6.950 1.00 1.19 H new ATOM 0 HB3 ALA A 19 -10.005 -5.601 -7.281 1.00 1.19 H new ATOM 250 N LYS A 20 -7.996 -4.853 -5.309 1.00 0.67 N ATOM 251 CA LYS A 20 -6.690 -5.211 -4.780 1.00 0.61 C ATOM 252 C LYS A 20 -5.641 -4.239 -5.325 1.00 0.57 C ATOM 253 O LYS A 20 -5.781 -3.725 -6.433 1.00 0.68 O ATOM 254 CB LYS A 20 -6.377 -6.680 -5.072 1.00 0.63 C ATOM 255 CG LYS A 20 -6.347 -6.945 -6.579 1.00 0.69 C ATOM 256 CD LYS A 20 -7.529 -7.817 -7.006 1.00 1.71 C ATOM 257 CE LYS A 20 -7.082 -8.902 -7.988 1.00 2.00 C ATOM 258 NZ LYS A 20 -6.807 -8.317 -9.320 1.00 2.27 N ATOM 0 H LYS A 20 -7.973 -4.340 -6.190 1.00 0.67 H new ATOM 0 HA LYS A 20 -6.680 -5.117 -3.694 1.00 0.61 H new ATOM 0 HB2 LYS A 20 -5.415 -6.945 -4.633 1.00 0.63 H new ATOM 0 HB3 LYS A 20 -7.127 -7.316 -4.602 1.00 0.63 H new ATOM 0 HG2 LYS A 20 -6.375 -5.999 -7.119 1.00 0.69 H new ATOM 0 HG3 LYS A 20 -5.412 -7.437 -6.847 1.00 0.69 H new ATOM 0 HD2 LYS A 20 -7.981 -8.279 -6.128 1.00 1.71 H new ATOM 0 HD3 LYS A 20 -8.296 -7.196 -7.469 1.00 1.71 H new ATOM 0 HE2 LYS A 20 -6.187 -9.396 -7.610 1.00 2.00 H new ATOM 0 HE3 LYS A 20 -7.856 -9.665 -8.072 1.00 2.00 H new ATOM 0 HZ1 LYS A 20 -6.505 -9.068 -9.973 1.00 2.27 H new ATOM 0 HZ2 LYS A 20 -7.670 -7.866 -9.686 1.00 2.27 H new ATOM 0 HZ3 LYS A 20 -6.053 -7.606 -9.238 1.00 2.27 H new ATOM 272 N ILE A 21 -4.614 -4.015 -4.518 1.00 0.48 N ATOM 273 CA ILE A 21 -3.542 -3.114 -4.905 1.00 0.47 C ATOM 274 C ILE A 21 -2.468 -3.900 -5.659 1.00 0.46 C ATOM 275 O ILE A 21 -2.157 -5.035 -5.301 1.00 0.42 O ATOM 276 CB ILE A 21 -3.008 -2.361 -3.684 1.00 0.43 C ATOM 277 CG1 ILE A 21 -3.794 -1.069 -3.450 1.00 0.48 C ATOM 278 CG2 ILE A 21 -1.505 -2.103 -3.813 1.00 0.44 C ATOM 279 CD1 ILE A 21 -4.575 -1.134 -2.135 1.00 0.50 C ATOM 0 H ILE A 21 -4.502 -4.442 -3.598 1.00 0.48 H new ATOM 0 HA ILE A 21 -3.915 -2.349 -5.586 1.00 0.47 H new ATOM 0 HB ILE A 21 -3.152 -2.989 -2.805 1.00 0.43 H new ATOM 0 HG12 ILE A 21 -3.109 -0.221 -3.429 1.00 0.48 H new ATOM 0 HG13 ILE A 21 -4.483 -0.903 -4.278 1.00 0.48 H new ATOM 0 HG21 ILE A 21 -1.151 -1.567 -2.933 1.00 0.44 H new ATOM 0 HG22 ILE A 21 -0.978 -3.054 -3.895 1.00 0.44 H new ATOM 0 HG23 ILE A 21 -1.314 -1.504 -4.704 1.00 0.44 H new ATOM 0 HD11 ILE A 21 -5.125 -0.204 -1.992 1.00 0.50 H new ATOM 0 HD12 ILE A 21 -5.276 -1.968 -2.169 1.00 0.50 H new ATOM 0 HD13 ILE A 21 -3.881 -1.276 -1.306 1.00 0.50 H new ATOM 291 N GLU A 22 -1.932 -3.266 -6.692 1.00 0.53 N ATOM 292 CA GLU A 22 -0.899 -3.892 -7.501 1.00 0.54 C ATOM 293 C GLU A 22 0.457 -3.236 -7.232 1.00 0.53 C ATOM 294 O GLU A 22 0.523 -2.053 -6.898 1.00 0.51 O ATOM 295 CB GLU A 22 -1.254 -3.827 -8.988 1.00 0.54 C ATOM 296 CG GLU A 22 -1.399 -5.232 -9.577 1.00 0.65 C ATOM 297 CD GLU A 22 -1.325 -5.196 -11.106 1.00 1.07 C ATOM 298 OE1 GLU A 22 -1.846 -4.259 -11.730 1.00 2.02 O ATOM 299 OE2 GLU A 22 -0.697 -6.186 -11.644 1.00 1.59 O ATOM 0 H GLU A 22 -2.194 -2.325 -6.987 1.00 0.53 H new ATOM 0 HA GLU A 22 -0.833 -4.944 -7.222 1.00 0.54 H new ATOM 0 HB2 GLU A 22 -2.185 -3.275 -9.120 1.00 0.54 H new ATOM 0 HB3 GLU A 22 -0.480 -3.280 -9.527 1.00 0.54 H new ATOM 0 HG2 GLU A 22 -0.612 -5.877 -9.186 1.00 0.65 H new ATOM 0 HG3 GLU A 22 -2.350 -5.665 -9.265 1.00 0.65 H new ATOM 306 N LEU A 23 1.505 -4.031 -7.388 1.00 0.55 N ATOM 307 CA LEU A 23 2.855 -3.542 -7.167 1.00 0.55 C ATOM 308 C LEU A 23 3.812 -4.247 -8.129 1.00 0.56 C ATOM 309 O LEU A 23 3.653 -5.434 -8.410 1.00 0.58 O ATOM 310 CB LEU A 23 3.243 -3.692 -5.694 1.00 0.62 C ATOM 311 CG LEU A 23 2.338 -2.981 -4.686 1.00 0.60 C ATOM 312 CD1 LEU A 23 2.478 -3.598 -3.293 1.00 0.65 C ATOM 313 CD2 LEU A 23 2.604 -1.474 -4.676 1.00 0.59 C ATOM 0 H LEU A 23 1.446 -5.011 -7.665 1.00 0.55 H new ATOM 0 HA LEU A 23 2.914 -2.475 -7.383 1.00 0.55 H new ATOM 0 HB2 LEU A 23 3.261 -4.754 -5.450 1.00 0.62 H new ATOM 0 HB3 LEU A 23 4.259 -3.318 -5.567 1.00 0.62 H new ATOM 0 HG LEU A 23 1.303 -3.122 -4.998 1.00 0.60 H new ATOM 0 HD11 LEU A 23 1.824 -3.074 -2.596 1.00 0.65 H new ATOM 0 HD12 LEU A 23 2.198 -4.651 -3.332 1.00 0.65 H new ATOM 0 HD13 LEU A 23 3.511 -3.509 -2.958 1.00 0.65 H new ATOM 0 HD21 LEU A 23 1.947 -0.993 -3.951 1.00 0.59 H new ATOM 0 HD22 LEU A 23 3.643 -1.290 -4.403 1.00 0.59 H new ATOM 0 HD23 LEU A 23 2.412 -1.064 -5.667 1.00 0.59 H new ATOM 325 N HIS A 24 4.785 -3.487 -8.608 1.00 0.55 N ATOM 326 CA HIS A 24 5.769 -4.024 -9.533 1.00 0.57 C ATOM 327 C HIS A 24 7.165 -3.543 -9.134 1.00 0.59 C ATOM 328 O HIS A 24 7.306 -2.522 -8.465 1.00 0.58 O ATOM 329 CB HIS A 24 5.409 -3.665 -10.977 1.00 0.56 C ATOM 330 CG HIS A 24 4.344 -4.550 -11.582 1.00 0.58 C ATOM 331 ND1 HIS A 24 4.636 -5.732 -12.238 1.00 0.68 N ATOM 332 CD2 HIS A 24 2.989 -4.412 -11.621 1.00 0.60 C ATOM 333 CE1 HIS A 24 3.500 -6.273 -12.652 1.00 0.69 C ATOM 334 NE2 HIS A 24 2.479 -5.453 -12.268 1.00 0.63 N ATOM 0 H HIS A 24 4.914 -2.503 -8.373 1.00 0.55 H new ATOM 0 HA HIS A 24 5.768 -5.113 -9.479 1.00 0.57 H new ATOM 0 HB2 HIS A 24 5.069 -2.630 -11.009 1.00 0.56 H new ATOM 0 HB3 HIS A 24 6.308 -3.724 -11.590 1.00 0.56 H new ATOM 0 HD1 HIS A 24 5.568 -6.121 -12.379 1.00 0.68 H new ATOM 0 HD2 HIS A 24 2.425 -3.594 -11.197 1.00 0.60 H new ATOM 0 HE1 HIS A 24 3.400 -7.200 -13.197 1.00 0.69 H new ATOM 342 N PHE A 25 8.162 -4.304 -9.561 1.00 0.67 N ATOM 343 CA PHE A 25 9.543 -3.969 -9.258 1.00 0.70 C ATOM 344 C PHE A 25 10.494 -4.566 -10.295 1.00 0.78 C ATOM 345 O PHE A 25 10.882 -5.730 -10.190 1.00 0.89 O ATOM 346 CB PHE A 25 9.858 -4.572 -7.887 1.00 0.78 C ATOM 347 CG PHE A 25 9.494 -3.666 -6.709 1.00 0.72 C ATOM 348 CD1 PHE A 25 8.208 -3.606 -6.269 1.00 1.79 C ATOM 349 CD2 PHE A 25 10.456 -2.920 -6.102 1.00 1.92 C ATOM 350 CE1 PHE A 25 7.871 -2.764 -5.176 1.00 1.80 C ATOM 351 CE2 PHE A 25 10.118 -2.079 -5.010 1.00 2.10 C ATOM 352 CZ PHE A 25 8.833 -2.019 -4.569 1.00 1.14 C ATOM 0 H PHE A 25 8.041 -5.152 -10.115 1.00 0.67 H new ATOM 0 HA PHE A 25 9.674 -2.887 -9.267 1.00 0.70 H new ATOM 0 HB2 PHE A 25 9.322 -5.516 -7.785 1.00 0.78 H new ATOM 0 HB3 PHE A 25 10.922 -4.803 -7.839 1.00 0.78 H new ATOM 0 HD1 PHE A 25 7.444 -4.198 -6.751 1.00 1.79 H new ATOM 0 HD2 PHE A 25 11.477 -2.968 -6.451 1.00 1.92 H new ATOM 0 HE1 PHE A 25 6.850 -2.715 -4.827 1.00 1.80 H new ATOM 0 HE2 PHE A 25 10.882 -1.486 -4.529 1.00 2.10 H new ATOM 0 HZ PHE A 25 8.577 -1.380 -3.737 1.00 1.14 H new ATOM 362 N SER A 26 10.843 -3.746 -11.275 1.00 1.03 N ATOM 363 CA SER A 26 11.741 -4.179 -12.332 1.00 1.16 C ATOM 364 C SER A 26 13.154 -4.361 -11.774 1.00 1.21 C ATOM 365 O SER A 26 14.044 -4.841 -12.475 1.00 1.34 O ATOM 366 CB SER A 26 11.752 -3.179 -13.490 1.00 1.60 C ATOM 367 OG SER A 26 11.888 -3.825 -14.752 1.00 2.07 O ATOM 0 H SER A 26 10.519 -2.782 -11.359 1.00 1.03 H new ATOM 0 HA SER A 26 11.382 -5.134 -12.717 1.00 1.16 H new ATOM 0 HB2 SER A 26 10.829 -2.599 -13.477 1.00 1.60 H new ATOM 0 HB3 SER A 26 12.573 -2.475 -13.353 1.00 1.60 H new ATOM 0 HG SER A 26 11.889 -3.153 -15.465 1.00 2.07 H new ATOM 373 N GLU A 27 13.316 -3.970 -10.519 1.00 1.26 N ATOM 374 CA GLU A 27 14.606 -4.085 -9.860 1.00 1.58 C ATOM 375 C GLU A 27 14.420 -4.490 -8.396 1.00 1.52 C ATOM 376 O GLU A 27 14.377 -3.637 -7.513 1.00 2.26 O ATOM 377 CB GLU A 27 15.397 -2.780 -9.971 1.00 2.18 C ATOM 378 CG GLU A 27 16.903 -3.048 -9.964 1.00 2.80 C ATOM 379 CD GLU A 27 17.692 -1.742 -9.857 1.00 3.45 C ATOM 380 OE1 GLU A 27 17.562 -0.921 -10.790 1.00 4.61 O ATOM 381 OE2 GLU A 27 18.407 -1.594 -8.842 1.00 3.59 O ATOM 0 H GLU A 27 12.575 -3.573 -9.941 1.00 1.26 H new ATOM 0 HA GLU A 27 15.180 -4.863 -10.362 1.00 1.58 H new ATOM 0 HB2 GLU A 27 15.121 -2.261 -10.889 1.00 2.18 H new ATOM 0 HB3 GLU A 27 15.138 -2.122 -9.142 1.00 2.18 H new ATOM 0 HG2 GLU A 27 17.156 -3.699 -9.128 1.00 2.80 H new ATOM 0 HG3 GLU A 27 17.186 -3.575 -10.875 1.00 2.80 H new ATOM 388 N ASN A 28 14.314 -5.795 -8.186 1.00 1.61 N ATOM 389 CA ASN A 28 14.134 -6.324 -6.845 1.00 1.85 C ATOM 390 C ASN A 28 14.754 -7.720 -6.765 1.00 2.37 C ATOM 391 O ASN A 28 15.590 -7.983 -5.902 1.00 2.94 O ATOM 392 CB ASN A 28 12.650 -6.445 -6.496 1.00 2.77 C ATOM 393 CG ASN A 28 12.455 -7.210 -5.185 1.00 2.89 C ATOM 394 OD1 ASN A 28 12.889 -6.794 -4.124 1.00 3.50 O ATOM 395 ND2 ASN A 28 11.781 -8.349 -5.317 1.00 2.62 N ATOM 0 H ASN A 28 14.349 -6.500 -8.922 1.00 1.61 H new ATOM 0 HA ASN A 28 14.615 -5.640 -6.145 1.00 1.85 H new ATOM 0 HB2 ASN A 28 12.211 -5.451 -6.410 1.00 2.77 H new ATOM 0 HB3 ASN A 28 12.124 -6.957 -7.302 1.00 2.77 H new ATOM 0 HD21 ASN A 28 11.600 -8.932 -4.500 1.00 2.62 H new ATOM 0 HD22 ASN A 28 11.445 -8.639 -6.235 1.00 2.62 H new ATOM 402 N LEU A 29 14.321 -8.579 -7.677 1.00 3.13 N ATOM 403 CA LEU A 29 14.824 -9.941 -7.720 1.00 4.57 C ATOM 404 C LEU A 29 14.818 -10.528 -6.306 1.00 4.39 C ATOM 405 O LEU A 29 15.789 -11.154 -5.886 1.00 5.19 O ATOM 406 CB LEU A 29 16.195 -9.985 -8.398 1.00 5.82 C ATOM 407 CG LEU A 29 17.340 -9.311 -7.640 1.00 6.68 C ATOM 408 CD1 LEU A 29 18.678 -9.982 -7.959 1.00 8.12 C ATOM 409 CD2 LEU A 29 17.371 -7.807 -7.919 1.00 6.66 C ATOM 0 H LEU A 29 13.628 -8.358 -8.391 1.00 3.13 H new ATOM 0 HA LEU A 29 14.173 -10.568 -8.329 1.00 4.57 H new ATOM 0 HB2 LEU A 29 16.462 -11.028 -8.566 1.00 5.82 H new ATOM 0 HB3 LEU A 29 16.109 -9.516 -9.378 1.00 5.82 H new ATOM 0 HG LEU A 29 17.164 -9.436 -6.572 1.00 6.68 H new ATOM 0 HD11 LEU A 29 19.475 -9.484 -7.407 1.00 8.12 H new ATOM 0 HD12 LEU A 29 18.637 -11.032 -7.669 1.00 8.12 H new ATOM 0 HD13 LEU A 29 18.876 -9.909 -9.028 1.00 8.12 H new ATOM 0 HD21 LEU A 29 18.194 -7.352 -7.368 1.00 6.66 H new ATOM 0 HD22 LEU A 29 17.511 -7.638 -8.987 1.00 6.66 H new ATOM 0 HD23 LEU A 29 16.430 -7.359 -7.601 1.00 6.66 H new ATOM 421 N VAL A 30 13.711 -10.304 -5.613 1.00 3.77 N ATOM 422 CA VAL A 30 13.566 -10.803 -4.256 1.00 3.73 C ATOM 423 C VAL A 30 12.130 -11.287 -4.046 1.00 4.47 C ATOM 424 O VAL A 30 11.214 -10.839 -4.733 1.00 5.66 O ATOM 425 CB VAL A 30 13.985 -9.724 -3.254 1.00 3.40 C ATOM 426 CG1 VAL A 30 13.139 -9.799 -1.981 1.00 3.61 C ATOM 427 CG2 VAL A 30 15.477 -9.829 -2.929 1.00 4.13 C ATOM 0 H VAL A 30 12.907 -9.784 -5.965 1.00 3.77 H new ATOM 0 HA VAL A 30 14.225 -11.656 -4.090 1.00 3.73 H new ATOM 0 HB VAL A 30 13.810 -8.752 -3.715 1.00 3.40 H new ATOM 0 HG11 VAL A 30 13.457 -9.022 -1.286 1.00 3.61 H new ATOM 0 HG12 VAL A 30 12.089 -9.653 -2.233 1.00 3.61 H new ATOM 0 HG13 VAL A 30 13.268 -10.776 -1.516 1.00 3.61 H new ATOM 0 HG21 VAL A 30 15.749 -9.052 -2.215 1.00 4.13 H new ATOM 0 HG22 VAL A 30 15.687 -10.808 -2.498 1.00 4.13 H new ATOM 0 HG23 VAL A 30 16.058 -9.703 -3.842 1.00 4.13 H new ATOM 437 N THR A 31 11.980 -12.196 -3.093 1.00 4.24 N ATOM 438 CA THR A 31 10.671 -12.746 -2.785 1.00 5.32 C ATOM 439 C THR A 31 9.733 -11.646 -2.286 1.00 6.22 C ATOM 440 O THR A 31 8.606 -11.521 -2.763 1.00 7.87 O ATOM 441 CB THR A 31 10.861 -13.884 -1.780 1.00 4.69 C ATOM 442 OG1 THR A 31 9.554 -14.426 -1.617 1.00 5.78 O ATOM 443 CG2 THR A 31 11.231 -13.378 -0.385 1.00 3.79 C ATOM 0 H THR A 31 12.743 -12.565 -2.525 1.00 4.24 H new ATOM 0 HA THR A 31 10.195 -13.155 -3.676 1.00 5.32 H new ATOM 0 HB THR A 31 11.638 -14.558 -2.139 1.00 4.69 H new ATOM 0 HG1 THR A 31 9.586 -15.171 -0.982 1.00 5.78 H new ATOM 0 HG21 THR A 31 11.354 -14.226 0.289 1.00 3.79 H new ATOM 0 HG22 THR A 31 12.164 -12.817 -0.437 1.00 3.79 H new ATOM 0 HG23 THR A 31 10.439 -12.730 -0.011 1.00 3.79 H new ATOM 451 N GLN A 32 10.234 -10.874 -1.331 1.00 5.50 N ATOM 452 CA GLN A 32 9.455 -9.788 -0.761 1.00 6.60 C ATOM 453 C GLN A 32 10.316 -8.966 0.200 1.00 5.60 C ATOM 454 O GLN A 32 10.818 -7.904 -0.165 1.00 6.41 O ATOM 455 CB GLN A 32 8.204 -10.319 -0.059 1.00 8.04 C ATOM 456 CG GLN A 32 6.935 -9.743 -0.690 1.00 10.48 C ATOM 457 CD GLN A 32 6.371 -10.691 -1.750 1.00 11.65 C ATOM 458 OE1 GLN A 32 6.106 -10.314 -2.880 1.00 12.73 O ATOM 459 NE2 GLN A 32 6.201 -11.939 -1.324 1.00 11.57 N ATOM 0 H GLN A 32 11.169 -10.980 -0.938 1.00 5.50 H new ATOM 0 HA GLN A 32 9.127 -9.138 -1.572 1.00 6.60 H new ATOM 0 HB2 GLN A 32 8.183 -11.407 -0.120 1.00 8.04 H new ATOM 0 HB3 GLN A 32 8.238 -10.059 0.999 1.00 8.04 H new ATOM 0 HG2 GLN A 32 6.187 -9.570 0.083 1.00 10.48 H new ATOM 0 HG3 GLN A 32 7.156 -8.776 -1.142 1.00 10.48 H new ATOM 0 HE21 GLN A 32 6.443 -12.188 -0.365 1.00 11.57 H new ATOM 0 HE22 GLN A 32 5.828 -12.647 -1.956 1.00 11.57 H new ATOM 468 N PHE A 33 10.459 -9.487 1.409 1.00 4.70 N ATOM 469 CA PHE A 33 11.251 -8.815 2.425 1.00 4.16 C ATOM 470 C PHE A 33 10.751 -7.386 2.653 1.00 3.01 C ATOM 471 O PHE A 33 11.493 -6.536 3.143 1.00 3.23 O ATOM 472 CB PHE A 33 12.690 -8.763 1.910 1.00 5.56 C ATOM 473 CG PHE A 33 13.467 -10.067 2.099 1.00 6.69 C ATOM 474 CD1 PHE A 33 13.383 -10.744 3.276 1.00 6.69 C ATOM 475 CD2 PHE A 33 14.241 -10.550 1.091 1.00 8.05 C ATOM 476 CE1 PHE A 33 14.103 -11.955 3.452 1.00 7.72 C ATOM 477 CE2 PHE A 33 14.961 -11.761 1.267 1.00 9.10 C ATOM 478 CZ PHE A 33 14.877 -12.438 2.443 1.00 8.78 C ATOM 0 H PHE A 33 10.040 -10.367 1.708 1.00 4.70 H new ATOM 0 HA PHE A 33 11.177 -9.353 3.370 1.00 4.16 H new ATOM 0 HB2 PHE A 33 12.676 -8.511 0.850 1.00 5.56 H new ATOM 0 HB3 PHE A 33 13.219 -7.959 2.422 1.00 5.56 H new ATOM 0 HD1 PHE A 33 12.768 -10.360 4.077 1.00 6.69 H new ATOM 0 HD2 PHE A 33 14.308 -10.013 0.157 1.00 8.05 H new ATOM 0 HE1 PHE A 33 14.036 -12.492 4.386 1.00 7.72 H new ATOM 0 HE2 PHE A 33 15.576 -12.145 0.466 1.00 9.10 H new ATOM 0 HZ PHE A 33 15.425 -13.359 2.576 1.00 8.78 H new ATOM 488 N SER A 34 9.497 -7.167 2.286 1.00 2.23 N ATOM 489 CA SER A 34 8.889 -5.856 2.444 1.00 1.21 C ATOM 490 C SER A 34 7.579 -5.978 3.223 1.00 0.91 C ATOM 491 O SER A 34 7.138 -7.082 3.535 1.00 1.22 O ATOM 492 CB SER A 34 8.641 -5.197 1.085 1.00 1.46 C ATOM 493 OG SER A 34 7.386 -5.579 0.529 1.00 2.21 O ATOM 0 H SER A 34 8.885 -7.875 1.880 1.00 2.23 H new ATOM 0 HA SER A 34 9.578 -5.223 3.003 1.00 1.21 H new ATOM 0 HB2 SER A 34 8.674 -4.113 1.196 1.00 1.46 H new ATOM 0 HB3 SER A 34 9.441 -5.471 0.397 1.00 1.46 H new ATOM 0 HG SER A 34 7.264 -5.137 -0.337 1.00 2.21 H new ATOM 499 N GLY A 35 6.991 -4.826 3.514 1.00 0.81 N ATOM 500 CA GLY A 35 5.740 -4.789 4.251 1.00 1.22 C ATOM 501 C GLY A 35 4.982 -3.488 3.980 1.00 1.13 C ATOM 502 O GLY A 35 5.592 -2.456 3.703 1.00 1.33 O ATOM 0 H GLY A 35 7.359 -3.911 3.252 1.00 0.81 H new ATOM 0 HA2 GLY A 35 5.121 -5.640 3.967 1.00 1.22 H new ATOM 0 HA3 GLY A 35 5.940 -4.882 5.318 1.00 1.22 H new ATOM 506 N ALA A 36 3.664 -3.578 4.071 1.00 0.90 N ATOM 507 CA ALA A 36 2.816 -2.421 3.839 1.00 0.83 C ATOM 508 C ALA A 36 1.681 -2.412 4.864 1.00 0.83 C ATOM 509 O ALA A 36 1.394 -3.434 5.486 1.00 0.92 O ATOM 510 CB ALA A 36 2.301 -2.445 2.398 1.00 0.86 C ATOM 0 H ALA A 36 3.162 -4.435 4.302 1.00 0.90 H new ATOM 0 HA ALA A 36 3.383 -1.499 3.967 1.00 0.83 H new ATOM 0 HB1 ALA A 36 1.665 -1.577 2.224 1.00 0.86 H new ATOM 0 HB2 ALA A 36 3.146 -2.420 1.709 1.00 0.86 H new ATOM 0 HB3 ALA A 36 1.725 -3.356 2.233 1.00 0.86 H new ATOM 516 N LYS A 37 1.066 -1.248 5.009 1.00 0.78 N ATOM 517 CA LYS A 37 -0.032 -1.092 5.948 1.00 0.83 C ATOM 518 C LYS A 37 -0.926 0.064 5.495 1.00 0.79 C ATOM 519 O LYS A 37 -0.445 1.175 5.276 1.00 0.75 O ATOM 520 CB LYS A 37 0.501 -0.936 7.373 1.00 0.90 C ATOM 521 CG LYS A 37 0.398 -2.253 8.145 1.00 1.08 C ATOM 522 CD LYS A 37 0.867 -2.080 9.591 1.00 1.58 C ATOM 523 CE LYS A 37 0.765 -3.397 10.362 1.00 1.92 C ATOM 524 NZ LYS A 37 1.877 -3.519 11.330 1.00 2.51 N ATOM 0 H LYS A 37 1.307 -0.403 4.491 1.00 0.78 H new ATOM 0 HA LYS A 37 -0.653 -1.988 5.961 1.00 0.83 H new ATOM 0 HB2 LYS A 37 1.540 -0.609 7.342 1.00 0.90 H new ATOM 0 HB3 LYS A 37 -0.062 -0.161 7.893 1.00 0.90 H new ATOM 0 HG2 LYS A 37 -0.633 -2.606 8.133 1.00 1.08 H new ATOM 0 HG3 LYS A 37 1.001 -3.016 7.652 1.00 1.08 H new ATOM 0 HD2 LYS A 37 1.898 -1.727 9.603 1.00 1.58 H new ATOM 0 HD3 LYS A 37 0.263 -1.318 10.084 1.00 1.58 H new ATOM 0 HE2 LYS A 37 -0.189 -3.445 10.887 1.00 1.92 H new ATOM 0 HE3 LYS A 37 0.788 -4.235 9.666 1.00 1.92 H new ATOM 0 HZ1 LYS A 37 1.792 -4.419 11.845 1.00 2.51 H new ATOM 0 HZ2 LYS A 37 2.784 -3.495 10.822 1.00 2.51 H new ATOM 0 HZ3 LYS A 37 1.838 -2.729 12.005 1.00 2.51 H new ATOM 538 N LEU A 38 -2.210 -0.237 5.367 1.00 0.84 N ATOM 539 CA LEU A 38 -3.174 0.763 4.943 1.00 0.85 C ATOM 540 C LEU A 38 -3.872 1.345 6.175 1.00 0.85 C ATOM 541 O LEU A 38 -4.363 0.602 7.024 1.00 0.91 O ATOM 542 CB LEU A 38 -4.138 0.175 3.910 1.00 0.90 C ATOM 543 CG LEU A 38 -5.333 1.053 3.533 1.00 1.01 C ATOM 544 CD1 LEU A 38 -4.885 2.480 3.210 1.00 1.06 C ATOM 545 CD2 LEU A 38 -6.130 0.429 2.385 1.00 1.18 C ATOM 0 H LEU A 38 -2.605 -1.160 5.550 1.00 0.84 H new ATOM 0 HA LEU A 38 -2.671 1.589 4.440 1.00 0.85 H new ATOM 0 HB2 LEU A 38 -3.576 -0.048 3.003 1.00 0.90 H new ATOM 0 HB3 LEU A 38 -4.515 -0.773 4.293 1.00 0.90 H new ATOM 0 HG LEU A 38 -5.999 1.112 4.394 1.00 1.01 H new ATOM 0 HD11 LEU A 38 -5.754 3.083 2.945 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -4.394 2.913 4.082 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -4.187 2.462 2.373 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -6.974 1.072 2.136 1.00 1.18 H new ATOM 0 HD22 LEU A 38 -5.486 0.321 1.512 1.00 1.18 H new ATOM 0 HD23 LEU A 38 -6.498 -0.551 2.688 1.00 1.18 H new ATOM 557 N VAL A 39 -3.894 2.668 6.232 1.00 0.88 N ATOM 558 CA VAL A 39 -4.524 3.359 7.345 1.00 0.89 C ATOM 559 C VAL A 39 -5.753 4.117 6.840 1.00 0.72 C ATOM 560 O VAL A 39 -5.747 4.649 5.731 1.00 0.62 O ATOM 561 CB VAL A 39 -3.507 4.265 8.042 1.00 1.07 C ATOM 562 CG1 VAL A 39 -2.271 3.473 8.473 1.00 1.23 C ATOM 563 CG2 VAL A 39 -3.119 5.444 7.146 1.00 1.05 C ATOM 0 H VAL A 39 -3.486 3.280 5.526 1.00 0.88 H new ATOM 0 HA VAL A 39 -4.868 2.644 8.092 1.00 0.89 H new ATOM 0 HB VAL A 39 -3.976 4.667 8.940 1.00 1.07 H new ATOM 0 HG11 VAL A 39 -1.564 4.141 8.966 1.00 1.23 H new ATOM 0 HG12 VAL A 39 -2.567 2.684 9.164 1.00 1.23 H new ATOM 0 HG13 VAL A 39 -1.800 3.029 7.596 1.00 1.23 H new ATOM 0 HG21 VAL A 39 -2.395 6.073 7.665 1.00 1.05 H new ATOM 0 HG22 VAL A 39 -2.678 5.069 6.222 1.00 1.05 H new ATOM 0 HG23 VAL A 39 -4.007 6.031 6.912 1.00 1.05 H new ATOM 573 N MET A 40 -6.779 4.142 7.678 1.00 0.79 N ATOM 574 CA MET A 40 -8.012 4.827 7.330 1.00 0.67 C ATOM 575 C MET A 40 -8.051 6.230 7.938 1.00 0.76 C ATOM 576 O MET A 40 -8.409 6.396 9.104 1.00 0.82 O ATOM 577 CB MET A 40 -9.208 4.017 7.839 1.00 0.65 C ATOM 578 CG MET A 40 -10.523 4.749 7.566 1.00 0.57 C ATOM 579 SD MET A 40 -11.600 4.617 8.983 1.00 0.91 S ATOM 580 CE MET A 40 -11.669 6.330 9.480 1.00 2.55 C ATOM 0 H MET A 40 -6.782 3.699 8.597 1.00 0.79 H new ATOM 0 HA MET A 40 -8.059 4.920 6.245 1.00 0.67 H new ATOM 0 HB2 MET A 40 -9.224 3.041 7.354 1.00 0.65 H new ATOM 0 HB3 MET A 40 -9.102 3.839 8.909 1.00 0.65 H new ATOM 0 HG2 MET A 40 -10.326 5.798 7.345 1.00 0.57 H new ATOM 0 HG3 MET A 40 -11.010 4.324 6.688 1.00 0.57 H new ATOM 0 HE1 MET A 40 -11.617 6.396 10.567 1.00 2.55 H new ATOM 0 HE2 MET A 40 -10.829 6.870 9.043 1.00 2.55 H new ATOM 0 HE3 MET A 40 -12.603 6.772 9.134 1.00 2.55 H new ATOM 590 N THR A 41 -7.678 7.205 7.121 1.00 0.80 N ATOM 591 CA THR A 41 -7.666 8.588 7.564 1.00 0.96 C ATOM 592 C THR A 41 -8.785 9.377 6.881 1.00 0.97 C ATOM 593 O THR A 41 -8.522 10.344 6.169 1.00 1.14 O ATOM 594 CB THR A 41 -6.271 9.158 7.297 1.00 1.16 C ATOM 595 OG1 THR A 41 -6.406 10.549 7.574 1.00 1.42 O ATOM 596 CG2 THR A 41 -5.892 9.108 5.816 1.00 1.11 C ATOM 0 H THR A 41 -7.382 7.064 6.155 1.00 0.80 H new ATOM 0 HA THR A 41 -7.865 8.662 8.633 1.00 0.96 H new ATOM 0 HB THR A 41 -5.535 8.604 7.879 1.00 1.16 H new ATOM 0 HG1 THR A 41 -7.088 10.935 6.985 1.00 1.42 H new ATOM 0 HG21 THR A 41 -4.894 9.524 5.682 1.00 1.11 H new ATOM 0 HG22 THR A 41 -5.903 8.074 5.472 1.00 1.11 H new ATOM 0 HG23 THR A 41 -6.609 9.690 5.237 1.00 1.11 H new ATOM 604 N ALA A 42 -10.010 8.933 7.123 1.00 0.86 N ATOM 605 CA ALA A 42 -11.170 9.586 6.540 1.00 0.96 C ATOM 606 C ALA A 42 -11.296 11.000 7.111 1.00 1.24 C ATOM 607 O ALA A 42 -11.006 11.978 6.424 1.00 2.14 O ATOM 608 CB ALA A 42 -12.418 8.739 6.803 1.00 1.01 C ATOM 0 H ALA A 42 -10.224 8.130 7.714 1.00 0.86 H new ATOM 0 HA ALA A 42 -11.057 9.676 5.460 1.00 0.96 H new ATOM 0 HB1 ALA A 42 -13.288 9.228 6.366 1.00 1.01 H new ATOM 0 HB2 ALA A 42 -12.291 7.754 6.353 1.00 1.01 H new ATOM 0 HB3 ALA A 42 -12.564 8.630 7.878 1.00 1.01 H new ATOM 614 N MET A 43 -11.728 11.062 8.362 1.00 1.67 N ATOM 615 CA MET A 43 -11.895 12.340 9.033 1.00 2.04 C ATOM 616 C MET A 43 -11.241 12.323 10.416 1.00 2.24 C ATOM 617 O MET A 43 -11.674 11.591 11.303 1.00 2.55 O ATOM 618 CB MET A 43 -13.386 12.650 9.178 1.00 2.40 C ATOM 619 CG MET A 43 -13.655 14.146 9.008 1.00 2.73 C ATOM 620 SD MET A 43 -14.644 14.429 7.549 1.00 3.21 S ATOM 621 CE MET A 43 -13.725 15.766 6.805 1.00 3.64 C ATOM 0 H MET A 43 -11.967 10.248 8.928 1.00 1.67 H new ATOM 0 HA MET A 43 -11.411 13.110 8.432 1.00 2.04 H new ATOM 0 HB2 MET A 43 -13.952 12.089 8.434 1.00 2.40 H new ATOM 0 HB3 MET A 43 -13.735 12.323 10.157 1.00 2.40 H new ATOM 0 HG2 MET A 43 -14.170 14.533 9.887 1.00 2.73 H new ATOM 0 HG3 MET A 43 -12.712 14.686 8.928 1.00 2.73 H new ATOM 0 HE1 MET A 43 -14.209 16.068 5.876 1.00 3.64 H new ATOM 0 HE2 MET A 43 -13.695 16.613 7.491 1.00 3.64 H new ATOM 0 HE3 MET A 43 -12.708 15.435 6.593 1.00 3.64 H new ATOM 631 N PRO A 44 -10.179 13.162 10.560 1.00 2.31 N ATOM 632 CA PRO A 44 -9.460 13.251 11.819 1.00 2.63 C ATOM 633 C PRO A 44 -10.266 14.035 12.856 1.00 2.95 C ATOM 634 O PRO A 44 -10.612 15.195 12.631 1.00 3.30 O ATOM 635 CB PRO A 44 -8.136 13.910 11.471 1.00 2.86 C ATOM 636 CG PRO A 44 -8.348 14.586 10.126 1.00 2.82 C ATOM 637 CD PRO A 44 -9.638 14.044 9.530 1.00 2.40 C ATOM 0 HA PRO A 44 -9.294 12.277 12.279 1.00 2.63 H new ATOM 0 HB2 PRO A 44 -7.849 14.636 12.232 1.00 2.86 H new ATOM 0 HB3 PRO A 44 -7.335 13.173 11.416 1.00 2.86 H new ATOM 0 HG2 PRO A 44 -8.409 15.667 10.248 1.00 2.82 H new ATOM 0 HG3 PRO A 44 -7.507 14.387 9.462 1.00 2.82 H new ATOM 0 HD2 PRO A 44 -10.334 14.849 9.292 1.00 2.40 H new ATOM 0 HD3 PRO A 44 -9.449 13.502 8.603 1.00 2.40 H new ATOM 645 N GLY A 45 -10.541 13.374 13.970 1.00 3.19 N ATOM 646 CA GLY A 45 -11.300 13.996 15.042 1.00 3.65 C ATOM 647 C GLY A 45 -10.371 14.506 16.146 1.00 3.08 C ATOM 648 O GLY A 45 -10.395 15.688 16.486 1.00 2.87 O ATOM 0 H GLY A 45 -10.252 12.413 14.154 1.00 3.19 H new ATOM 0 HA2 GLY A 45 -11.887 14.824 14.644 1.00 3.65 H new ATOM 0 HA3 GLY A 45 -12.005 13.277 15.458 1.00 3.65 H new ATOM 652 N MET A 46 -9.573 13.589 16.675 1.00 3.19 N ATOM 653 CA MET A 46 -8.639 13.931 17.733 1.00 3.15 C ATOM 654 C MET A 46 -7.260 14.266 17.161 1.00 2.91 C ATOM 655 O MET A 46 -6.387 13.403 17.090 1.00 3.30 O ATOM 656 CB MET A 46 -8.516 12.756 18.706 1.00 4.01 C ATOM 657 CG MET A 46 -9.607 12.813 19.776 1.00 4.58 C ATOM 658 SD MET A 46 -8.873 12.733 21.401 1.00 5.36 S ATOM 659 CE MET A 46 -9.280 14.362 22.006 1.00 5.41 C ATOM 0 H MET A 46 -9.555 12.610 16.390 1.00 3.19 H new ATOM 0 HA MET A 46 -9.018 14.809 18.256 1.00 3.15 H new ATOM 0 HB2 MET A 46 -8.588 11.817 18.158 1.00 4.01 H new ATOM 0 HB3 MET A 46 -7.535 12.774 19.181 1.00 4.01 H new ATOM 0 HG2 MET A 46 -10.182 13.733 19.672 1.00 4.58 H new ATOM 0 HG3 MET A 46 -10.304 11.985 19.641 1.00 4.58 H new ATOM 0 HE1 MET A 46 -8.893 14.482 23.018 1.00 5.41 H new ATOM 0 HE2 MET A 46 -8.834 15.114 21.355 1.00 5.41 H new ATOM 0 HE3 MET A 46 -10.363 14.487 22.015 1.00 5.41 H new ATOM 669 N GLU A 47 -7.108 15.522 16.766 1.00 2.72 N ATOM 670 CA GLU A 47 -5.851 15.982 16.200 1.00 3.11 C ATOM 671 C GLU A 47 -5.188 14.861 15.399 1.00 3.08 C ATOM 672 O GLU A 47 -4.398 14.088 15.943 1.00 3.54 O ATOM 673 CB GLU A 47 -4.917 16.503 17.294 1.00 3.90 C ATOM 674 CG GLU A 47 -4.399 17.902 16.953 1.00 4.63 C ATOM 675 CD GLU A 47 -2.992 18.117 17.512 1.00 5.72 C ATOM 676 OE1 GLU A 47 -2.056 17.480 16.892 1.00 5.88 O ATOM 677 OE2 GLU A 47 -2.820 18.860 18.490 1.00 6.83 O ATOM 0 H GLU A 47 -7.835 16.235 16.827 1.00 2.72 H new ATOM 0 HA GLU A 47 -6.060 16.810 15.522 1.00 3.11 H new ATOM 0 HB2 GLU A 47 -5.446 16.530 18.247 1.00 3.90 H new ATOM 0 HB3 GLU A 47 -4.076 15.820 17.415 1.00 3.90 H new ATOM 0 HG2 GLU A 47 -4.389 18.036 15.871 1.00 4.63 H new ATOM 0 HG3 GLU A 47 -5.075 18.653 17.361 1.00 4.63 H new ATOM 684 N HIS A 48 -5.530 14.806 14.121 1.00 2.73 N ATOM 685 CA HIS A 48 -4.977 13.792 13.240 1.00 2.73 C ATOM 686 C HIS A 48 -4.868 12.463 13.991 1.00 2.34 C ATOM 687 O HIS A 48 -3.801 12.112 14.489 1.00 2.52 O ATOM 688 CB HIS A 48 -3.640 14.251 12.654 1.00 3.30 C ATOM 689 CG HIS A 48 -3.598 14.247 11.144 1.00 3.96 C ATOM 690 ND1 HIS A 48 -4.010 15.324 10.380 1.00 5.02 N ATOM 691 CD2 HIS A 48 -3.188 13.286 10.267 1.00 4.60 C ATOM 692 CE1 HIS A 48 -3.850 15.015 9.102 1.00 5.92 C ATOM 693 NE2 HIS A 48 -3.342 13.751 9.034 1.00 5.69 N ATOM 0 H HIS A 48 -6.184 15.448 13.674 1.00 2.73 H new ATOM 0 HA HIS A 48 -5.646 13.638 12.393 1.00 2.73 H new ATOM 0 HB2 HIS A 48 -3.425 15.258 13.011 1.00 3.30 H new ATOM 0 HB3 HIS A 48 -2.848 13.604 13.031 1.00 3.30 H new ATOM 0 HD2 HIS A 48 -2.803 12.312 10.531 1.00 4.60 H new ATOM 0 HE1 HIS A 48 -4.081 15.652 8.261 1.00 5.92 H new ATOM 0 HE2 HIS A 48 -3.117 13.246 8.176 1.00 5.69 H new ATOM 701 N SER A 49 -5.990 11.760 14.049 1.00 2.06 N ATOM 702 CA SER A 49 -6.036 10.478 14.732 1.00 1.95 C ATOM 703 C SER A 49 -6.548 9.396 13.779 1.00 1.83 C ATOM 704 O SER A 49 -7.695 8.963 13.886 1.00 1.89 O ATOM 705 CB SER A 49 -6.919 10.549 15.979 1.00 2.19 C ATOM 706 OG SER A 49 -6.154 10.765 17.162 1.00 2.86 O ATOM 0 H SER A 49 -6.874 12.054 13.634 1.00 2.06 H new ATOM 0 HA SER A 49 -5.025 10.224 15.051 1.00 1.95 H new ATOM 0 HB2 SER A 49 -7.645 11.354 15.864 1.00 2.19 H new ATOM 0 HB3 SER A 49 -7.484 9.622 16.077 1.00 2.19 H new ATOM 0 HG SER A 49 -6.205 11.710 17.416 1.00 2.86 H new ATOM 712 N PRO A 50 -5.652 8.980 12.845 1.00 1.81 N ATOM 713 CA PRO A 50 -6.003 7.957 11.874 1.00 1.83 C ATOM 714 C PRO A 50 -6.024 6.571 12.522 1.00 1.66 C ATOM 715 O PRO A 50 -5.658 6.420 13.686 1.00 1.96 O ATOM 716 CB PRO A 50 -4.960 8.083 10.776 1.00 2.05 C ATOM 717 CG PRO A 50 -3.800 8.851 11.388 1.00 2.10 C ATOM 718 CD PRO A 50 -4.286 9.470 12.689 1.00 1.95 C ATOM 0 HA PRO A 50 -7.006 8.088 11.469 1.00 1.83 H new ATOM 0 HB2 PRO A 50 -4.638 7.101 10.429 1.00 2.05 H new ATOM 0 HB3 PRO A 50 -5.365 8.610 9.912 1.00 2.05 H new ATOM 0 HG2 PRO A 50 -2.957 8.185 11.573 1.00 2.10 H new ATOM 0 HG3 PRO A 50 -3.451 9.625 10.704 1.00 2.10 H new ATOM 0 HD2 PRO A 50 -3.659 9.170 13.529 1.00 1.95 H new ATOM 0 HD3 PRO A 50 -4.259 10.559 12.644 1.00 1.95 H new ATOM 726 N MET A 51 -6.457 5.593 11.739 1.00 1.26 N ATOM 727 CA MET A 51 -6.530 4.225 12.221 1.00 1.17 C ATOM 728 C MET A 51 -5.937 3.251 11.201 1.00 1.21 C ATOM 729 O MET A 51 -5.886 3.550 10.009 1.00 1.57 O ATOM 730 CB MET A 51 -7.991 3.856 12.489 1.00 1.02 C ATOM 731 CG MET A 51 -8.385 4.189 13.930 1.00 1.19 C ATOM 732 SD MET A 51 -8.623 5.948 14.108 1.00 2.98 S ATOM 733 CE MET A 51 -8.649 6.079 15.888 1.00 3.26 C ATOM 0 H MET A 51 -6.761 5.722 10.774 1.00 1.26 H new ATOM 0 HA MET A 51 -5.952 4.153 13.142 1.00 1.17 H new ATOM 0 HB2 MET A 51 -8.639 4.395 11.797 1.00 1.02 H new ATOM 0 HB3 MET A 51 -8.141 2.792 12.304 1.00 1.02 H new ATOM 0 HG2 MET A 51 -9.301 3.661 14.196 1.00 1.19 H new ATOM 0 HG3 MET A 51 -7.609 3.848 14.616 1.00 1.19 H new ATOM 0 HE1 MET A 51 -8.791 7.121 16.174 1.00 3.26 H new ATOM 0 HE2 MET A 51 -9.468 5.479 16.285 1.00 3.26 H new ATOM 0 HE3 MET A 51 -7.704 5.717 16.293 1.00 3.26 H new ATOM 743 N ALA A 52 -5.504 2.106 11.707 1.00 1.07 N ATOM 744 CA ALA A 52 -4.915 1.086 10.855 1.00 1.07 C ATOM 745 C ALA A 52 -5.993 0.077 10.456 1.00 0.95 C ATOM 746 O ALA A 52 -6.894 -0.216 11.241 1.00 0.92 O ATOM 747 CB ALA A 52 -3.740 0.429 11.582 1.00 1.18 C ATOM 0 H ALA A 52 -5.549 1.862 12.696 1.00 1.07 H new ATOM 0 HA ALA A 52 -4.524 1.529 9.939 1.00 1.07 H new ATOM 0 HB1 ALA A 52 -3.299 -0.336 10.943 1.00 1.18 H new ATOM 0 HB2 ALA A 52 -2.989 1.184 11.816 1.00 1.18 H new ATOM 0 HB3 ALA A 52 -4.094 -0.030 12.505 1.00 1.18 H new ATOM 753 N VAL A 53 -5.865 -0.427 9.238 1.00 0.93 N ATOM 754 CA VAL A 53 -6.817 -1.397 8.726 1.00 0.86 C ATOM 755 C VAL A 53 -6.136 -2.763 8.609 1.00 0.94 C ATOM 756 O VAL A 53 -4.910 -2.845 8.548 1.00 1.16 O ATOM 757 CB VAL A 53 -7.403 -0.907 7.400 1.00 0.82 C ATOM 758 CG1 VAL A 53 -6.481 -1.256 6.230 1.00 0.85 C ATOM 759 CG2 VAL A 53 -8.808 -1.472 7.179 1.00 0.82 C ATOM 0 H VAL A 53 -5.116 -0.182 8.590 1.00 0.93 H new ATOM 0 HA VAL A 53 -7.654 -1.509 9.415 1.00 0.86 H new ATOM 0 HB VAL A 53 -7.483 0.179 7.450 1.00 0.82 H new ATOM 0 HG11 VAL A 53 -6.921 -0.896 5.300 1.00 0.85 H new ATOM 0 HG12 VAL A 53 -5.510 -0.783 6.378 1.00 0.85 H new ATOM 0 HG13 VAL A 53 -6.354 -2.337 6.177 1.00 0.85 H new ATOM 0 HG21 VAL A 53 -9.201 -1.108 6.230 1.00 0.82 H new ATOM 0 HG22 VAL A 53 -8.763 -2.561 7.160 1.00 0.82 H new ATOM 0 HG23 VAL A 53 -9.461 -1.150 7.990 1.00 0.82 H new ATOM 769 N LYS A 54 -6.960 -3.799 8.583 1.00 0.86 N ATOM 770 CA LYS A 54 -6.452 -5.156 8.476 1.00 0.96 C ATOM 771 C LYS A 54 -6.276 -5.514 6.998 1.00 0.94 C ATOM 772 O LYS A 54 -7.247 -5.555 6.246 1.00 1.11 O ATOM 773 CB LYS A 54 -7.352 -6.128 9.241 1.00 1.03 C ATOM 774 CG LYS A 54 -8.668 -6.360 8.494 1.00 2.10 C ATOM 775 CD LYS A 54 -9.797 -6.704 9.468 1.00 2.33 C ATOM 776 CE LYS A 54 -10.352 -5.443 10.133 1.00 4.09 C ATOM 777 NZ LYS A 54 -9.581 -5.120 11.354 1.00 4.55 N ATOM 0 H LYS A 54 -7.976 -3.727 8.634 1.00 0.86 H new ATOM 0 HA LYS A 54 -5.470 -5.233 8.943 1.00 0.96 H new ATOM 0 HB2 LYS A 54 -6.835 -7.078 9.377 1.00 1.03 H new ATOM 0 HB3 LYS A 54 -7.559 -5.732 10.235 1.00 1.03 H new ATOM 0 HG2 LYS A 54 -8.931 -5.467 7.927 1.00 2.10 H new ATOM 0 HG3 LYS A 54 -8.544 -7.169 7.774 1.00 2.10 H new ATOM 0 HD2 LYS A 54 -10.596 -7.220 8.936 1.00 2.33 H new ATOM 0 HD3 LYS A 54 -9.427 -7.389 10.231 1.00 2.33 H new ATOM 0 HE2 LYS A 54 -10.307 -4.607 9.435 1.00 4.09 H new ATOM 0 HE3 LYS A 54 -11.402 -5.590 10.387 1.00 4.09 H new ATOM 0 HZ1 LYS A 54 -10.212 -4.688 12.059 1.00 4.55 H new ATOM 0 HZ2 LYS A 54 -9.170 -5.991 11.746 1.00 4.55 H new ATOM 0 HZ3 LYS A 54 -8.818 -4.454 11.117 1.00 4.55 H new ATOM 791 N ALA A 55 -5.028 -5.765 6.628 1.00 0.87 N ATOM 792 CA ALA A 55 -4.712 -6.118 5.255 1.00 0.84 C ATOM 793 C ALA A 55 -3.510 -7.065 5.240 1.00 0.91 C ATOM 794 O ALA A 55 -2.917 -7.337 6.282 1.00 0.97 O ATOM 795 CB ALA A 55 -4.461 -4.845 4.444 1.00 0.79 C ATOM 0 H ALA A 55 -4.225 -5.731 7.255 1.00 0.87 H new ATOM 0 HA ALA A 55 -5.549 -6.640 4.791 1.00 0.84 H new ATOM 0 HB1 ALA A 55 -4.224 -5.111 3.414 1.00 0.79 H new ATOM 0 HB2 ALA A 55 -5.354 -4.221 4.461 1.00 0.79 H new ATOM 0 HB3 ALA A 55 -3.626 -4.296 4.878 1.00 0.79 H new ATOM 801 N ALA A 56 -3.188 -7.542 4.046 1.00 0.92 N ATOM 802 CA ALA A 56 -2.067 -8.453 3.882 1.00 1.01 C ATOM 803 C ALA A 56 -1.409 -8.204 2.523 1.00 0.86 C ATOM 804 O ALA A 56 -2.096 -8.013 1.522 1.00 0.69 O ATOM 805 CB ALA A 56 -2.555 -9.894 4.039 1.00 1.17 C ATOM 0 H ALA A 56 -3.683 -7.315 3.184 1.00 0.92 H new ATOM 0 HA ALA A 56 -1.313 -8.279 4.650 1.00 1.01 H new ATOM 0 HB1 ALA A 56 -1.715 -10.578 3.916 1.00 1.17 H new ATOM 0 HB2 ALA A 56 -2.988 -10.025 5.031 1.00 1.17 H new ATOM 0 HB3 ALA A 56 -3.310 -10.107 3.282 1.00 1.17 H new ATOM 811 N VAL A 57 -0.084 -8.215 2.533 1.00 1.01 N ATOM 812 CA VAL A 57 0.676 -7.994 1.315 1.00 0.91 C ATOM 813 C VAL A 57 1.213 -9.332 0.803 1.00 1.05 C ATOM 814 O VAL A 57 1.864 -10.067 1.544 1.00 1.28 O ATOM 815 CB VAL A 57 1.778 -6.963 1.566 1.00 1.01 C ATOM 816 CG1 VAL A 57 2.597 -7.327 2.806 1.00 1.80 C ATOM 817 CG2 VAL A 57 2.679 -6.814 0.338 1.00 2.26 C ATOM 0 H VAL A 57 0.483 -8.374 3.366 1.00 1.01 H new ATOM 0 HA VAL A 57 0.036 -7.582 0.535 1.00 0.91 H new ATOM 0 HB VAL A 57 1.301 -6.000 1.750 1.00 1.01 H new ATOM 0 HG11 VAL A 57 3.373 -6.578 2.962 1.00 1.80 H new ATOM 0 HG12 VAL A 57 1.943 -7.359 3.678 1.00 1.80 H new ATOM 0 HG13 VAL A 57 3.059 -8.304 2.663 1.00 1.80 H new ATOM 0 HG21 VAL A 57 3.454 -6.075 0.543 1.00 2.26 H new ATOM 0 HG22 VAL A 57 3.143 -7.773 0.109 1.00 2.26 H new ATOM 0 HG23 VAL A 57 2.082 -6.487 -0.514 1.00 2.26 H new ATOM 827 N SER A 58 0.920 -9.607 -0.459 1.00 0.96 N ATOM 828 CA SER A 58 1.366 -10.844 -1.078 1.00 1.15 C ATOM 829 C SER A 58 1.993 -10.550 -2.443 1.00 1.05 C ATOM 830 O SER A 58 1.991 -9.407 -2.898 1.00 1.41 O ATOM 831 CB SER A 58 0.209 -11.833 -1.228 1.00 1.31 C ATOM 832 OG SER A 58 -0.537 -11.969 -0.021 1.00 1.43 O ATOM 0 H SER A 58 0.379 -8.995 -1.070 1.00 0.96 H new ATOM 0 HA SER A 58 2.116 -11.299 -0.431 1.00 1.15 H new ATOM 0 HB2 SER A 58 -0.452 -11.499 -2.027 1.00 1.31 H new ATOM 0 HB3 SER A 58 0.600 -12.806 -1.524 1.00 1.31 H new ATOM 0 HG SER A 58 -1.268 -12.608 -0.158 1.00 1.43 H new ATOM 838 N GLY A 59 2.514 -11.602 -3.058 1.00 0.79 N ATOM 839 CA GLY A 59 3.144 -11.470 -4.361 1.00 0.70 C ATOM 840 C GLY A 59 2.187 -11.897 -5.476 1.00 0.74 C ATOM 841 O GLY A 59 1.296 -12.714 -5.256 1.00 0.92 O ATOM 0 H GLY A 59 2.513 -12.549 -2.678 1.00 0.79 H new ATOM 0 HA2 GLY A 59 3.453 -10.436 -4.517 1.00 0.70 H new ATOM 0 HA3 GLY A 59 4.046 -12.081 -4.397 1.00 0.70 H new ATOM 845 N GLY A 60 2.406 -11.323 -6.651 1.00 0.78 N ATOM 846 CA GLY A 60 1.574 -11.633 -7.801 1.00 1.07 C ATOM 847 C GLY A 60 2.012 -12.945 -8.456 1.00 1.19 C ATOM 848 O GLY A 60 2.005 -13.995 -7.816 1.00 2.11 O ATOM 0 H GLY A 60 3.147 -10.646 -6.831 1.00 0.78 H new ATOM 0 HA2 GLY A 60 0.532 -11.707 -7.491 1.00 1.07 H new ATOM 0 HA3 GLY A 60 1.634 -10.822 -8.527 1.00 1.07 H new ATOM 852 N GLY A 61 2.383 -12.841 -9.724 1.00 1.82 N ATOM 853 CA GLY A 61 2.823 -14.006 -10.472 1.00 2.08 C ATOM 854 C GLY A 61 4.346 -14.028 -10.608 1.00 2.10 C ATOM 855 O GLY A 61 4.881 -14.620 -11.544 1.00 3.22 O ATOM 0 H GLY A 61 2.388 -11.968 -10.252 1.00 1.82 H new ATOM 0 HA2 GLY A 61 2.486 -14.913 -9.970 1.00 2.08 H new ATOM 0 HA3 GLY A 61 2.366 -14.001 -11.462 1.00 2.08 H new ATOM 859 N ASP A 62 5.002 -13.374 -9.660 1.00 1.28 N ATOM 860 CA ASP A 62 6.453 -13.310 -9.663 1.00 1.20 C ATOM 861 C ASP A 62 6.929 -12.565 -8.414 1.00 1.00 C ATOM 862 O ASP A 62 6.171 -11.803 -7.815 1.00 0.83 O ATOM 863 CB ASP A 62 6.970 -12.555 -10.889 1.00 1.23 C ATOM 864 CG ASP A 62 7.117 -13.402 -12.155 1.00 1.63 C ATOM 865 OD1 ASP A 62 8.145 -14.181 -12.172 1.00 2.06 O ATOM 866 OD2 ASP A 62 6.292 -13.320 -13.077 1.00 2.61 O ATOM 0 H ASP A 62 4.555 -12.884 -8.885 1.00 1.28 H new ATOM 0 HA ASP A 62 6.835 -14.331 -9.681 1.00 1.20 H new ATOM 0 HB2 ASP A 62 6.292 -11.728 -11.100 1.00 1.23 H new ATOM 0 HB3 ASP A 62 7.939 -12.119 -10.647 1.00 1.23 H new ATOM 871 N PRO A 63 8.215 -12.816 -8.048 1.00 1.18 N ATOM 872 CA PRO A 63 8.800 -12.177 -6.882 1.00 1.24 C ATOM 873 C PRO A 63 9.131 -10.711 -7.167 1.00 1.22 C ATOM 874 O PRO A 63 9.587 -9.990 -6.281 1.00 1.42 O ATOM 875 CB PRO A 63 10.028 -13.010 -6.552 1.00 1.56 C ATOM 876 CG PRO A 63 10.346 -13.800 -7.810 1.00 1.67 C ATOM 877 CD PRO A 63 9.142 -13.711 -8.734 1.00 1.47 C ATOM 0 HA PRO A 63 8.117 -12.145 -6.033 1.00 1.24 H new ATOM 0 HB2 PRO A 63 10.866 -12.374 -6.268 1.00 1.56 H new ATOM 0 HB3 PRO A 63 9.834 -13.676 -5.711 1.00 1.56 H new ATOM 0 HG2 PRO A 63 11.233 -13.398 -8.299 1.00 1.67 H new ATOM 0 HG3 PRO A 63 10.562 -14.840 -7.563 1.00 1.67 H new ATOM 0 HD2 PRO A 63 9.421 -13.319 -9.712 1.00 1.47 H new ATOM 0 HD3 PRO A 63 8.696 -14.692 -8.900 1.00 1.47 H new ATOM 885 N LYS A 64 8.889 -10.314 -8.408 1.00 1.09 N ATOM 886 CA LYS A 64 9.156 -8.948 -8.822 1.00 1.10 C ATOM 887 C LYS A 64 7.850 -8.152 -8.811 1.00 0.95 C ATOM 888 O LYS A 64 7.866 -6.924 -8.893 1.00 1.14 O ATOM 889 CB LYS A 64 9.878 -8.927 -10.171 1.00 1.20 C ATOM 890 CG LYS A 64 8.965 -9.437 -11.288 1.00 1.19 C ATOM 891 CD LYS A 64 8.424 -8.277 -12.127 1.00 1.76 C ATOM 892 CE LYS A 64 8.096 -8.737 -13.549 1.00 2.21 C ATOM 893 NZ LYS A 64 7.364 -7.678 -14.280 1.00 3.38 N ATOM 0 H LYS A 64 8.511 -10.915 -9.140 1.00 1.09 H new ATOM 0 HA LYS A 64 9.832 -8.462 -8.118 1.00 1.10 H new ATOM 0 HB2 LYS A 64 10.204 -7.912 -10.398 1.00 1.20 H new ATOM 0 HB3 LYS A 64 10.774 -9.545 -10.118 1.00 1.20 H new ATOM 0 HG2 LYS A 64 9.517 -10.126 -11.927 1.00 1.19 H new ATOM 0 HG3 LYS A 64 8.135 -9.997 -10.857 1.00 1.19 H new ATOM 0 HD2 LYS A 64 7.529 -7.870 -11.657 1.00 1.76 H new ATOM 0 HD3 LYS A 64 9.160 -7.474 -12.161 1.00 1.76 H new ATOM 0 HE2 LYS A 64 9.016 -8.984 -14.079 1.00 2.21 H new ATOM 0 HE3 LYS A 64 7.495 -9.645 -13.514 1.00 2.21 H new ATOM 0 HZ1 LYS A 64 7.149 -8.006 -15.243 1.00 3.38 H new ATOM 0 HZ2 LYS A 64 6.477 -7.462 -13.782 1.00 3.38 H new ATOM 0 HZ3 LYS A 64 7.951 -6.821 -14.329 1.00 3.38 H new ATOM 907 N THR A 65 6.750 -8.882 -8.708 1.00 0.70 N ATOM 908 CA THR A 65 5.437 -8.259 -8.685 1.00 0.59 C ATOM 909 C THR A 65 4.731 -8.552 -7.360 1.00 0.57 C ATOM 910 O THR A 65 4.696 -9.697 -6.911 1.00 0.67 O ATOM 911 CB THR A 65 4.660 -8.749 -9.909 1.00 0.69 C ATOM 912 OG1 THR A 65 5.039 -7.847 -10.944 1.00 0.78 O ATOM 913 CG2 THR A 65 3.151 -8.539 -9.766 1.00 0.64 C ATOM 0 H THR A 65 6.740 -9.900 -8.639 1.00 0.70 H new ATOM 0 HA THR A 65 5.513 -7.173 -8.743 1.00 0.59 H new ATOM 0 HB THR A 65 4.866 -9.807 -10.071 1.00 0.69 H new ATOM 0 HG1 THR A 65 4.766 -6.938 -10.702 1.00 0.78 H new ATOM 0 HG21 THR A 65 2.647 -8.903 -10.661 1.00 0.64 H new ATOM 0 HG22 THR A 65 2.788 -9.087 -8.896 1.00 0.64 H new ATOM 0 HG23 THR A 65 2.942 -7.477 -9.639 1.00 0.64 H new ATOM 921 N MET A 66 4.186 -7.498 -6.771 1.00 0.52 N ATOM 922 CA MET A 66 3.483 -7.628 -5.505 1.00 0.52 C ATOM 923 C MET A 66 2.014 -7.224 -5.651 1.00 0.45 C ATOM 924 O MET A 66 1.624 -6.639 -6.660 1.00 0.57 O ATOM 925 CB MET A 66 4.155 -6.742 -4.454 1.00 0.55 C ATOM 926 CG MET A 66 4.919 -7.587 -3.433 1.00 0.82 C ATOM 927 SD MET A 66 6.613 -7.035 -3.329 1.00 1.44 S ATOM 928 CE MET A 66 7.171 -7.432 -4.977 1.00 1.05 C ATOM 0 H MET A 66 4.217 -6.550 -7.147 1.00 0.52 H new ATOM 0 HA MET A 66 3.525 -8.671 -5.192 1.00 0.52 H new ATOM 0 HB2 MET A 66 4.839 -6.048 -4.942 1.00 0.55 H new ATOM 0 HB3 MET A 66 3.402 -6.142 -3.944 1.00 0.55 H new ATOM 0 HG2 MET A 66 4.442 -7.510 -2.456 1.00 0.82 H new ATOM 0 HG3 MET A 66 4.887 -8.638 -3.722 1.00 0.82 H new ATOM 0 HE1 MET A 66 8.253 -7.561 -4.973 1.00 1.05 H new ATOM 0 HE2 MET A 66 6.697 -8.355 -5.309 1.00 1.05 H new ATOM 0 HE3 MET A 66 6.904 -6.622 -5.656 1.00 1.05 H new ATOM 938 N VAL A 67 1.240 -7.552 -4.627 1.00 0.44 N ATOM 939 CA VAL A 67 -0.177 -7.230 -4.628 1.00 0.44 C ATOM 940 C VAL A 67 -0.682 -7.162 -3.185 1.00 0.54 C ATOM 941 O VAL A 67 -0.328 -8.005 -2.361 1.00 0.92 O ATOM 942 CB VAL A 67 -0.943 -8.242 -5.482 1.00 0.46 C ATOM 943 CG1 VAL A 67 -0.944 -9.624 -4.826 1.00 2.62 C ATOM 944 CG2 VAL A 67 -2.370 -7.762 -5.752 1.00 2.33 C ATOM 0 H VAL A 67 1.567 -8.037 -3.791 1.00 0.44 H new ATOM 0 HA VAL A 67 -0.345 -6.251 -5.078 1.00 0.44 H new ATOM 0 HB VAL A 67 -0.431 -8.327 -6.441 1.00 0.46 H new ATOM 0 HG11 VAL A 67 -1.495 -10.324 -5.454 1.00 2.62 H new ATOM 0 HG12 VAL A 67 0.082 -9.972 -4.709 1.00 2.62 H new ATOM 0 HG13 VAL A 67 -1.420 -9.562 -3.847 1.00 2.62 H new ATOM 0 HG21 VAL A 67 -2.893 -8.499 -6.361 1.00 2.33 H new ATOM 0 HG22 VAL A 67 -2.896 -7.634 -4.806 1.00 2.33 H new ATOM 0 HG23 VAL A 67 -2.340 -6.810 -6.282 1.00 2.33 H new ATOM 954 N ILE A 68 -1.499 -6.154 -2.924 1.00 0.34 N ATOM 955 CA ILE A 68 -2.055 -5.966 -1.595 1.00 0.37 C ATOM 956 C ILE A 68 -3.532 -6.366 -1.603 1.00 0.42 C ATOM 957 O ILE A 68 -4.319 -5.833 -2.383 1.00 0.44 O ATOM 958 CB ILE A 68 -1.808 -4.537 -1.107 1.00 0.38 C ATOM 959 CG1 ILE A 68 -0.582 -4.474 -0.194 1.00 0.47 C ATOM 960 CG2 ILE A 68 -3.056 -3.965 -0.432 1.00 0.44 C ATOM 961 CD1 ILE A 68 0.709 -4.411 -1.014 1.00 0.50 C ATOM 0 H ILE A 68 -1.790 -5.458 -3.610 1.00 0.34 H new ATOM 0 HA ILE A 68 -1.552 -6.614 -0.877 1.00 0.37 H new ATOM 0 HB ILE A 68 -1.596 -3.911 -1.974 1.00 0.38 H new ATOM 0 HG12 ILE A 68 -0.650 -3.599 0.452 1.00 0.47 H new ATOM 0 HG13 ILE A 68 -0.562 -5.349 0.456 1.00 0.47 H new ATOM 0 HG21 ILE A 68 -2.854 -2.949 -0.094 1.00 0.44 H new ATOM 0 HG22 ILE A 68 -3.882 -3.953 -1.144 1.00 0.44 H new ATOM 0 HG23 ILE A 68 -3.323 -4.585 0.424 1.00 0.44 H new ATOM 0 HD11 ILE A 68 1.566 -4.367 -0.341 1.00 0.50 H new ATOM 0 HD12 ILE A 68 0.785 -5.299 -1.641 1.00 0.50 H new ATOM 0 HD13 ILE A 68 0.697 -3.522 -1.644 1.00 0.50 H new ATOM 973 N THR A 69 -3.864 -7.302 -0.725 1.00 0.50 N ATOM 974 CA THR A 69 -5.233 -7.779 -0.622 1.00 0.60 C ATOM 975 C THR A 69 -5.727 -7.673 0.822 1.00 0.63 C ATOM 976 O THR A 69 -5.302 -8.438 1.684 1.00 0.76 O ATOM 977 CB THR A 69 -5.279 -9.205 -1.177 1.00 0.77 C ATOM 978 OG1 THR A 69 -5.986 -9.075 -2.408 1.00 0.83 O ATOM 979 CG2 THR A 69 -6.159 -10.131 -0.337 1.00 0.90 C ATOM 0 H THR A 69 -3.209 -7.742 -0.079 1.00 0.50 H new ATOM 0 HA THR A 69 -5.913 -7.163 -1.211 1.00 0.60 H new ATOM 0 HB THR A 69 -4.268 -9.610 -1.224 1.00 0.77 H new ATOM 0 HG1 THR A 69 -6.061 -9.953 -2.837 1.00 0.83 H new ATOM 0 HG21 THR A 69 -6.157 -11.130 -0.774 1.00 0.90 H new ATOM 0 HG22 THR A 69 -5.770 -10.179 0.680 1.00 0.90 H new ATOM 0 HG23 THR A 69 -7.178 -9.745 -0.318 1.00 0.90 H new ATOM 987 N PRO A 70 -6.642 -6.692 1.044 1.00 0.55 N ATOM 988 CA PRO A 70 -7.199 -6.475 2.368 1.00 0.59 C ATOM 989 C PRO A 70 -8.224 -7.557 2.716 1.00 0.74 C ATOM 990 O PRO A 70 -9.074 -7.898 1.896 1.00 0.80 O ATOM 991 CB PRO A 70 -7.802 -5.080 2.318 1.00 0.52 C ATOM 992 CG PRO A 70 -7.972 -4.752 0.843 1.00 0.51 C ATOM 993 CD PRO A 70 -7.169 -5.766 0.045 1.00 0.51 C ATOM 0 HA PRO A 70 -6.449 -6.542 3.156 1.00 0.59 H new ATOM 0 HB2 PRO A 70 -8.760 -5.050 2.838 1.00 0.52 H new ATOM 0 HB3 PRO A 70 -7.151 -4.355 2.807 1.00 0.52 H new ATOM 0 HG2 PRO A 70 -9.024 -4.792 0.562 1.00 0.51 H new ATOM 0 HG3 PRO A 70 -7.624 -3.740 0.634 1.00 0.51 H new ATOM 0 HD2 PRO A 70 -7.795 -6.283 -0.682 1.00 0.51 H new ATOM 0 HD3 PRO A 70 -6.365 -5.285 -0.512 1.00 0.51 H new ATOM 1001 N ALA A 71 -8.109 -8.065 3.934 1.00 0.86 N ATOM 1002 CA ALA A 71 -9.015 -9.101 4.401 1.00 1.03 C ATOM 1003 C ALA A 71 -10.391 -8.489 4.665 1.00 1.08 C ATOM 1004 O ALA A 71 -11.393 -9.201 4.714 1.00 1.36 O ATOM 1005 CB ALA A 71 -8.426 -9.773 5.644 1.00 1.17 C ATOM 0 H ALA A 71 -7.402 -7.779 4.612 1.00 0.86 H new ATOM 0 HA ALA A 71 -9.139 -9.873 3.641 1.00 1.03 H new ATOM 0 HB1 ALA A 71 -9.106 -10.550 5.994 1.00 1.17 H new ATOM 0 HB2 ALA A 71 -7.463 -10.219 5.395 1.00 1.17 H new ATOM 0 HB3 ALA A 71 -8.289 -9.030 6.429 1.00 1.17 H new ATOM 1011 N SER A 72 -10.397 -7.174 4.827 1.00 0.87 N ATOM 1012 CA SER A 72 -11.634 -6.457 5.085 1.00 0.90 C ATOM 1013 C SER A 72 -11.991 -5.579 3.884 1.00 0.79 C ATOM 1014 O SER A 72 -11.109 -5.148 3.143 1.00 0.66 O ATOM 1015 CB SER A 72 -11.523 -5.604 6.351 1.00 0.95 C ATOM 1016 OG SER A 72 -12.749 -5.562 7.075 1.00 1.01 O ATOM 0 H SER A 72 -9.564 -6.586 4.785 1.00 0.87 H new ATOM 0 HA SER A 72 -12.427 -7.189 5.240 1.00 0.90 H new ATOM 0 HB2 SER A 72 -10.737 -6.006 6.991 1.00 0.95 H new ATOM 0 HB3 SER A 72 -11.227 -4.591 6.081 1.00 0.95 H new ATOM 0 HG SER A 72 -12.637 -5.010 7.877 1.00 1.01 H new ATOM 1022 N PRO A 73 -13.319 -5.336 3.725 1.00 0.87 N ATOM 1023 CA PRO A 73 -13.803 -4.518 2.626 1.00 0.82 C ATOM 1024 C PRO A 73 -13.527 -3.035 2.883 1.00 0.71 C ATOM 1025 O PRO A 73 -13.720 -2.547 3.995 1.00 0.86 O ATOM 1026 CB PRO A 73 -15.286 -4.836 2.522 1.00 0.99 C ATOM 1027 CG PRO A 73 -15.672 -5.461 3.853 1.00 1.12 C ATOM 1028 CD PRO A 73 -14.391 -5.830 4.584 1.00 1.06 C ATOM 0 HA PRO A 73 -13.296 -4.734 1.686 1.00 0.82 H new ATOM 0 HB2 PRO A 73 -15.867 -3.933 2.331 1.00 0.99 H new ATOM 0 HB3 PRO A 73 -15.482 -5.521 1.697 1.00 0.99 H new ATOM 0 HG2 PRO A 73 -16.262 -4.762 4.446 1.00 1.12 H new ATOM 0 HG3 PRO A 73 -16.289 -6.345 3.695 1.00 1.12 H new ATOM 0 HD2 PRO A 73 -14.352 -5.369 5.571 1.00 1.06 H new ATOM 0 HD3 PRO A 73 -14.316 -6.907 4.732 1.00 1.06 H new ATOM 1036 N LEU A 74 -13.078 -2.359 1.835 1.00 0.54 N ATOM 1037 CA LEU A 74 -12.772 -0.942 1.933 1.00 0.47 C ATOM 1038 C LEU A 74 -14.035 -0.130 1.634 1.00 0.47 C ATOM 1039 O LEU A 74 -14.575 -0.200 0.531 1.00 0.56 O ATOM 1040 CB LEU A 74 -11.586 -0.586 1.036 1.00 0.53 C ATOM 1041 CG LEU A 74 -10.295 -1.369 1.289 1.00 0.55 C ATOM 1042 CD1 LEU A 74 -9.330 -1.230 0.110 1.00 0.67 C ATOM 1043 CD2 LEU A 74 -9.649 -0.949 2.611 1.00 0.50 C ATOM 0 H LEU A 74 -12.919 -2.767 0.914 1.00 0.54 H new ATOM 0 HA LEU A 74 -12.462 -0.689 2.947 1.00 0.47 H new ATOM 0 HB2 LEU A 74 -11.882 -0.738 -0.002 1.00 0.53 H new ATOM 0 HB3 LEU A 74 -11.372 0.476 1.154 1.00 0.53 H new ATOM 0 HG LEU A 74 -10.548 -2.426 1.376 1.00 0.55 H new ATOM 0 HD11 LEU A 74 -8.421 -1.796 0.315 1.00 0.67 H new ATOM 0 HD12 LEU A 74 -9.802 -1.616 -0.794 1.00 0.67 H new ATOM 0 HD13 LEU A 74 -9.079 -0.179 -0.033 1.00 0.67 H new ATOM 0 HD21 LEU A 74 -8.734 -1.520 2.766 1.00 0.50 H new ATOM 0 HD22 LEU A 74 -9.412 0.114 2.578 1.00 0.50 H new ATOM 0 HD23 LEU A 74 -10.341 -1.141 3.431 1.00 0.50 H new ATOM 1055 N THR A 75 -14.468 0.621 2.636 1.00 0.44 N ATOM 1056 CA THR A 75 -15.657 1.444 2.493 1.00 0.49 C ATOM 1057 C THR A 75 -15.272 2.872 2.100 1.00 0.50 C ATOM 1058 O THR A 75 -14.103 3.246 2.176 1.00 0.50 O ATOM 1059 CB THR A 75 -16.446 1.366 3.802 1.00 0.56 C ATOM 1060 OG1 THR A 75 -15.747 2.243 4.681 1.00 0.75 O ATOM 1061 CG2 THR A 75 -16.331 -0.004 4.475 1.00 0.68 C ATOM 0 H THR A 75 -14.017 0.677 3.549 1.00 0.44 H new ATOM 0 HA THR A 75 -16.296 1.080 1.689 1.00 0.49 H new ATOM 0 HB THR A 75 -17.495 1.588 3.607 1.00 0.56 H new ATOM 0 HG1 THR A 75 -16.192 2.254 5.554 1.00 0.75 H new ATOM 0 HG21 THR A 75 -16.909 -0.005 5.399 1.00 0.68 H new ATOM 0 HG22 THR A 75 -16.717 -0.772 3.805 1.00 0.68 H new ATOM 0 HG23 THR A 75 -15.285 -0.212 4.701 1.00 0.68 H new ATOM 1069 N ALA A 76 -16.279 3.629 1.688 1.00 0.57 N ATOM 1070 CA ALA A 76 -16.061 5.008 1.283 1.00 0.62 C ATOM 1071 C ALA A 76 -15.179 5.706 2.319 1.00 0.61 C ATOM 1072 O ALA A 76 -14.931 5.164 3.395 1.00 0.71 O ATOM 1073 CB ALA A 76 -17.410 5.705 1.099 1.00 0.73 C ATOM 0 H ALA A 76 -17.247 3.314 1.626 1.00 0.57 H new ATOM 0 HA ALA A 76 -15.540 5.050 0.326 1.00 0.62 H new ATOM 0 HB1 ALA A 76 -17.247 6.739 0.795 1.00 0.73 H new ATOM 0 HB2 ALA A 76 -17.985 5.188 0.331 1.00 0.73 H new ATOM 0 HB3 ALA A 76 -17.961 5.686 2.039 1.00 0.73 H new ATOM 1079 N GLY A 77 -14.729 6.898 1.958 1.00 0.58 N ATOM 1080 CA GLY A 77 -13.880 7.678 2.844 1.00 0.59 C ATOM 1081 C GLY A 77 -12.498 7.897 2.226 1.00 0.53 C ATOM 1082 O GLY A 77 -12.343 7.843 1.006 1.00 0.55 O ATOM 0 H GLY A 77 -14.936 7.344 1.064 1.00 0.58 H new ATOM 0 HA2 GLY A 77 -14.348 8.641 3.047 1.00 0.59 H new ATOM 0 HA3 GLY A 77 -13.778 7.165 3.800 1.00 0.59 H new ATOM 1086 N THR A 78 -11.528 8.140 3.095 1.00 0.55 N ATOM 1087 CA THR A 78 -10.164 8.369 2.649 1.00 0.52 C ATOM 1088 C THR A 78 -9.196 7.459 3.409 1.00 0.47 C ATOM 1089 O THR A 78 -9.360 7.234 4.607 1.00 0.49 O ATOM 1090 CB THR A 78 -9.855 9.857 2.815 1.00 0.57 C ATOM 1091 OG1 THR A 78 -10.785 10.504 1.951 1.00 0.67 O ATOM 1092 CG2 THR A 78 -8.488 10.239 2.244 1.00 0.73 C ATOM 0 H THR A 78 -11.659 8.183 4.106 1.00 0.55 H new ATOM 0 HA THR A 78 -10.044 8.114 1.596 1.00 0.52 H new ATOM 0 HB THR A 78 -9.893 10.119 3.872 1.00 0.57 H new ATOM 0 HG1 THR A 78 -10.655 11.474 1.998 1.00 0.67 H new ATOM 0 HG21 THR A 78 -8.319 11.306 2.388 1.00 0.73 H new ATOM 0 HG22 THR A 78 -7.709 9.676 2.757 1.00 0.73 H new ATOM 0 HG23 THR A 78 -8.461 10.008 1.179 1.00 0.73 H new ATOM 1100 N TYR A 79 -8.207 6.961 2.680 1.00 0.46 N ATOM 1101 CA TYR A 79 -7.213 6.080 3.270 1.00 0.43 C ATOM 1102 C TYR A 79 -5.824 6.356 2.690 1.00 0.44 C ATOM 1103 O TYR A 79 -5.700 6.990 1.643 1.00 0.43 O ATOM 1104 CB TYR A 79 -7.635 4.659 2.897 1.00 0.45 C ATOM 1105 CG TYR A 79 -9.075 4.314 3.284 1.00 0.45 C ATOM 1106 CD1 TYR A 79 -10.128 4.870 2.586 1.00 1.99 C ATOM 1107 CD2 TYR A 79 -9.320 3.449 4.331 1.00 1.68 C ATOM 1108 CE1 TYR A 79 -11.483 4.547 2.951 1.00 2.02 C ATOM 1109 CE2 TYR A 79 -10.675 3.126 4.696 1.00 1.69 C ATOM 1110 CZ TYR A 79 -11.690 3.691 3.988 1.00 0.54 C ATOM 1111 OH TYR A 79 -12.970 3.385 4.332 1.00 0.62 O ATOM 0 H TYR A 79 -8.073 7.151 1.687 1.00 0.46 H new ATOM 0 HA TYR A 79 -7.158 6.230 4.348 1.00 0.43 H new ATOM 0 HB2 TYR A 79 -7.517 4.527 1.821 1.00 0.45 H new ATOM 0 HB3 TYR A 79 -6.961 3.952 3.381 1.00 0.45 H new ATOM 0 HD1 TYR A 79 -9.936 5.547 1.767 1.00 1.99 H new ATOM 0 HD2 TYR A 79 -8.496 3.014 4.877 1.00 1.68 H new ATOM 0 HE1 TYR A 79 -12.316 4.975 2.414 1.00 2.02 H new ATOM 0 HE2 TYR A 79 -10.881 2.451 5.513 1.00 1.69 H new ATOM 0 HH TYR A 79 -13.590 3.837 3.722 1.00 0.62 H new ATOM 1121 N LYS A 80 -4.816 5.866 3.395 1.00 0.50 N ATOM 1122 CA LYS A 80 -3.441 6.051 2.963 1.00 0.54 C ATOM 1123 C LYS A 80 -2.687 4.726 3.093 1.00 0.52 C ATOM 1124 O LYS A 80 -2.509 4.214 4.197 1.00 0.51 O ATOM 1125 CB LYS A 80 -2.790 7.206 3.728 1.00 0.59 C ATOM 1126 CG LYS A 80 -2.655 8.445 2.840 1.00 1.87 C ATOM 1127 CD LYS A 80 -3.347 9.652 3.474 1.00 3.60 C ATOM 1128 CE LYS A 80 -2.618 10.950 3.121 1.00 4.00 C ATOM 1129 NZ LYS A 80 -3.578 12.070 3.008 1.00 5.29 N ATOM 0 H LYS A 80 -4.923 5.341 4.263 1.00 0.50 H new ATOM 0 HA LYS A 80 -3.407 6.336 1.911 1.00 0.54 H new ATOM 0 HB2 LYS A 80 -3.388 7.447 4.607 1.00 0.59 H new ATOM 0 HB3 LYS A 80 -1.806 6.901 4.085 1.00 0.59 H new ATOM 0 HG2 LYS A 80 -1.600 8.669 2.680 1.00 1.87 H new ATOM 0 HG3 LYS A 80 -3.091 8.244 1.861 1.00 1.87 H new ATOM 0 HD2 LYS A 80 -4.380 9.706 3.130 1.00 3.60 H new ATOM 0 HD3 LYS A 80 -3.378 9.531 4.557 1.00 3.60 H new ATOM 0 HE2 LYS A 80 -1.875 11.176 3.886 1.00 4.00 H new ATOM 0 HE3 LYS A 80 -2.081 10.828 2.181 1.00 4.00 H new ATOM 0 HZ1 LYS A 80 -3.066 12.943 2.768 1.00 5.29 H new ATOM 0 HZ2 LYS A 80 -4.271 11.859 2.262 1.00 5.29 H new ATOM 0 HZ3 LYS A 80 -4.072 12.196 3.914 1.00 5.29 H new ATOM 1143 N VAL A 81 -2.264 4.209 1.949 1.00 0.54 N ATOM 1144 CA VAL A 81 -1.533 2.953 1.921 1.00 0.53 C ATOM 1145 C VAL A 81 -0.033 3.239 2.016 1.00 0.55 C ATOM 1146 O VAL A 81 0.583 3.672 1.044 1.00 0.59 O ATOM 1147 CB VAL A 81 -1.911 2.155 0.671 1.00 0.54 C ATOM 1148 CG1 VAL A 81 -1.257 0.773 0.684 1.00 0.56 C ATOM 1149 CG2 VAL A 81 -3.431 2.042 0.532 1.00 0.66 C ATOM 0 H VAL A 81 -2.413 4.636 1.035 1.00 0.54 H new ATOM 0 HA VAL A 81 -1.802 2.336 2.778 1.00 0.53 H new ATOM 0 HB VAL A 81 -1.534 2.695 -0.198 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -1.542 0.227 -0.215 1.00 0.56 H new ATOM 0 HG12 VAL A 81 -0.173 0.884 0.713 1.00 0.56 H new ATOM 0 HG13 VAL A 81 -1.589 0.222 1.564 1.00 0.56 H new ATOM 0 HG21 VAL A 81 -3.673 1.470 -0.364 1.00 0.66 H new ATOM 0 HG22 VAL A 81 -3.840 1.536 1.407 1.00 0.66 H new ATOM 0 HG23 VAL A 81 -3.864 3.039 0.454 1.00 0.66 H new ATOM 1159 N ASP A 82 0.511 2.983 3.197 1.00 0.62 N ATOM 1160 CA ASP A 82 1.927 3.208 3.432 1.00 0.65 C ATOM 1161 C ASP A 82 2.680 1.883 3.290 1.00 0.71 C ATOM 1162 O ASP A 82 2.543 0.994 4.130 1.00 0.96 O ATOM 1163 CB ASP A 82 2.173 3.742 4.845 1.00 0.82 C ATOM 1164 CG ASP A 82 1.363 4.985 5.216 1.00 0.99 C ATOM 1165 OD1 ASP A 82 1.539 6.062 4.627 1.00 2.09 O ATOM 1166 OD2 ASP A 82 0.508 4.814 6.166 1.00 1.38 O ATOM 0 H ASP A 82 -0.003 2.622 4.001 1.00 0.62 H new ATOM 0 HA ASP A 82 2.278 3.939 2.704 1.00 0.65 H new ATOM 0 HB2 ASP A 82 1.946 2.952 5.561 1.00 0.82 H new ATOM 0 HB3 ASP A 82 3.233 3.973 4.951 1.00 0.82 H new ATOM 1171 N TRP A 83 3.458 1.792 2.222 1.00 0.56 N ATOM 1172 CA TRP A 83 4.231 0.591 1.959 1.00 0.66 C ATOM 1173 C TRP A 83 5.696 0.892 2.284 1.00 0.69 C ATOM 1174 O TRP A 83 6.117 2.047 2.254 1.00 0.59 O ATOM 1175 CB TRP A 83 4.024 0.108 0.522 1.00 0.64 C ATOM 1176 CG TRP A 83 4.284 1.181 -0.538 1.00 0.53 C ATOM 1177 CD1 TRP A 83 3.388 1.962 -1.158 1.00 0.51 C ATOM 1178 CD2 TRP A 83 5.565 1.562 -1.080 1.00 0.54 C ATOM 1179 NE1 TRP A 83 3.996 2.814 -2.056 1.00 0.50 N ATOM 1180 CE2 TRP A 83 5.363 2.563 -2.008 1.00 0.55 C ATOM 1181 CE3 TRP A 83 6.854 1.076 -0.798 1.00 0.61 C ATOM 1182 CZ2 TRP A 83 6.403 3.164 -2.728 1.00 0.68 C ATOM 1183 CZ3 TRP A 83 7.882 1.685 -1.525 1.00 0.73 C ATOM 1184 CH2 TRP A 83 7.695 2.695 -2.462 1.00 0.78 C ATOM 0 H TRP A 83 3.570 2.531 1.528 1.00 0.56 H new ATOM 0 HA TRP A 83 3.895 -0.230 2.592 1.00 0.66 H new ATOM 0 HB2 TRP A 83 4.683 -0.740 0.336 1.00 0.64 H new ATOM 0 HB3 TRP A 83 3.001 -0.254 0.415 1.00 0.64 H new ATOM 0 HD1 TRP A 83 2.324 1.928 -0.977 1.00 0.51 H new ATOM 0 HE1 TRP A 83 3.529 3.502 -2.647 1.00 0.50 H new ATOM 0 HE3 TRP A 83 7.036 0.293 -0.076 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 6.218 3.947 -3.449 1.00 0.68 H new ATOM 0 HZ3 TRP A 83 8.892 1.347 -1.346 1.00 0.73 H new ATOM 0 HH2 TRP A 83 8.543 3.116 -2.982 1.00 0.78 H new ATOM 1195 N ARG A 84 6.432 -0.168 2.584 1.00 0.87 N ATOM 1196 CA ARG A 84 7.841 -0.032 2.913 1.00 0.93 C ATOM 1197 C ARG A 84 8.647 -1.163 2.273 1.00 1.00 C ATOM 1198 O ARG A 84 8.311 -2.336 2.429 1.00 1.05 O ATOM 1199 CB ARG A 84 8.057 -0.055 4.427 1.00 1.01 C ATOM 1200 CG ARG A 84 8.472 1.325 4.943 1.00 1.06 C ATOM 1201 CD ARG A 84 8.108 1.490 6.420 1.00 1.61 C ATOM 1202 NE ARG A 84 7.195 2.641 6.591 1.00 1.90 N ATOM 1203 CZ ARG A 84 6.907 3.209 7.782 1.00 2.74 C ATOM 1204 NH1 ARG A 84 7.459 2.733 8.919 1.00 3.38 N ATOM 1205 NH2 ARG A 84 6.076 4.234 7.819 1.00 3.76 N ATOM 0 H ARG A 84 6.079 -1.125 2.606 1.00 0.87 H new ATOM 0 HA ARG A 84 8.182 0.927 2.523 1.00 0.93 H new ATOM 0 HB2 ARG A 84 7.140 -0.372 4.924 1.00 1.01 H new ATOM 0 HB3 ARG A 84 8.825 -0.787 4.677 1.00 1.01 H new ATOM 0 HG2 ARG A 84 9.546 1.458 4.812 1.00 1.06 H new ATOM 0 HG3 ARG A 84 7.981 2.100 4.355 1.00 1.06 H new ATOM 0 HD2 ARG A 84 7.634 0.581 6.790 1.00 1.61 H new ATOM 0 HD3 ARG A 84 9.011 1.641 7.011 1.00 1.61 H new ATOM 0 HE ARG A 84 6.755 3.030 5.757 1.00 1.90 H new ATOM 0 HH11 ARG A 84 8.098 1.939 8.882 1.00 3.38 H new ATOM 0 HH12 ARG A 84 7.237 3.167 9.815 1.00 3.38 H new ATOM 0 HH21 ARG A 84 5.662 4.586 6.956 1.00 3.76 H new ATOM 0 HH22 ARG A 84 5.848 4.674 8.711 1.00 3.76 H new ATOM 1219 N ALA A 85 9.696 -0.771 1.564 1.00 1.06 N ATOM 1220 CA ALA A 85 10.554 -1.738 0.899 1.00 1.16 C ATOM 1221 C ALA A 85 11.908 -1.786 1.609 1.00 1.30 C ATOM 1222 O ALA A 85 12.370 -0.777 2.139 1.00 1.43 O ATOM 1223 CB ALA A 85 10.684 -1.371 -0.581 1.00 1.18 C ATOM 0 H ALA A 85 9.971 0.203 1.436 1.00 1.06 H new ATOM 0 HA ALA A 85 10.120 -2.736 0.951 1.00 1.16 H new ATOM 0 HB1 ALA A 85 11.327 -2.096 -1.080 1.00 1.18 H new ATOM 0 HB2 ALA A 85 9.698 -1.380 -1.046 1.00 1.18 H new ATOM 0 HB3 ALA A 85 11.119 -0.376 -0.672 1.00 1.18 H new ATOM 1229 N VAL A 86 12.504 -2.968 1.596 1.00 1.48 N ATOM 1230 CA VAL A 86 13.797 -3.161 2.233 1.00 1.65 C ATOM 1231 C VAL A 86 14.906 -2.760 1.257 1.00 1.97 C ATOM 1232 O VAL A 86 14.647 -2.531 0.077 1.00 2.69 O ATOM 1233 CB VAL A 86 13.927 -4.604 2.725 1.00 1.79 C ATOM 1234 CG1 VAL A 86 14.286 -5.546 1.573 1.00 2.68 C ATOM 1235 CG2 VAL A 86 14.952 -4.706 3.856 1.00 2.86 C ATOM 0 H VAL A 86 12.117 -3.802 1.155 1.00 1.48 H new ATOM 0 HA VAL A 86 13.890 -2.522 3.111 1.00 1.65 H new ATOM 0 HB VAL A 86 12.959 -4.912 3.120 1.00 1.79 H new ATOM 0 HG11 VAL A 86 14.372 -6.565 1.950 1.00 2.68 H new ATOM 0 HG12 VAL A 86 13.506 -5.505 0.813 1.00 2.68 H new ATOM 0 HG13 VAL A 86 15.236 -5.239 1.135 1.00 2.68 H new ATOM 0 HG21 VAL A 86 15.026 -5.742 4.188 1.00 2.86 H new ATOM 0 HG22 VAL A 86 15.925 -4.370 3.497 1.00 2.86 H new ATOM 0 HG23 VAL A 86 14.637 -4.079 4.690 1.00 2.86 H new ATOM 1245 N SER A 87 16.118 -2.686 1.788 1.00 2.40 N ATOM 1246 CA SER A 87 17.267 -2.315 0.979 1.00 2.95 C ATOM 1247 C SER A 87 18.553 -2.817 1.638 1.00 3.09 C ATOM 1248 O SER A 87 19.406 -3.406 0.975 1.00 3.16 O ATOM 1249 CB SER A 87 17.332 -0.801 0.774 1.00 3.85 C ATOM 1250 OG SER A 87 16.940 -0.087 1.944 1.00 5.91 O ATOM 0 H SER A 87 16.329 -2.876 2.768 1.00 2.40 H new ATOM 0 HA SER A 87 17.161 -2.782 -0.000 1.00 2.95 H new ATOM 0 HB2 SER A 87 18.347 -0.516 0.498 1.00 3.85 H new ATOM 0 HB3 SER A 87 16.685 -0.519 -0.057 1.00 3.85 H new ATOM 0 HG SER A 87 17.422 0.766 1.984 1.00 5.91 H new ATOM 1256 N SER A 88 18.653 -2.565 2.935 1.00 3.99 N ATOM 1257 CA SER A 88 19.821 -2.984 3.691 1.00 4.37 C ATOM 1258 C SER A 88 21.014 -2.088 3.349 1.00 3.86 C ATOM 1259 O SER A 88 21.011 -1.409 2.324 1.00 4.19 O ATOM 1260 CB SER A 88 20.162 -4.449 3.412 1.00 4.69 C ATOM 1261 OG SER A 88 20.047 -5.256 4.581 1.00 5.91 O ATOM 0 H SER A 88 17.944 -2.076 3.482 1.00 3.99 H new ATOM 0 HA SER A 88 19.593 -2.888 4.753 1.00 4.37 H new ATOM 0 HB2 SER A 88 19.498 -4.835 2.638 1.00 4.69 H new ATOM 0 HB3 SER A 88 21.178 -4.517 3.023 1.00 4.69 H new ATOM 0 HG SER A 88 20.271 -6.184 4.361 1.00 5.91 H new ATOM 1267 N ASP A 89 22.005 -2.117 4.228 1.00 4.06 N ATOM 1268 CA ASP A 89 23.202 -1.316 4.033 1.00 4.05 C ATOM 1269 C ASP A 89 22.892 0.145 4.366 1.00 4.05 C ATOM 1270 O ASP A 89 23.516 0.729 5.251 1.00 5.46 O ATOM 1271 CB ASP A 89 23.676 -1.380 2.580 1.00 3.98 C ATOM 1272 CG ASP A 89 25.153 -1.732 2.397 1.00 4.92 C ATOM 1273 OD1 ASP A 89 25.805 -2.004 3.429 1.00 5.63 O ATOM 1274 OD2 ASP A 89 25.599 -1.721 1.229 1.00 5.53 O ATOM 0 H ASP A 89 22.004 -2.682 5.077 1.00 4.06 H new ATOM 0 HA ASP A 89 23.982 -1.710 4.684 1.00 4.05 H new ATOM 0 HB2 ASP A 89 23.074 -2.117 2.049 1.00 3.98 H new ATOM 0 HB3 ASP A 89 23.487 -0.415 2.109 1.00 3.98 H new ATOM 1279 N THR A 90 21.929 0.693 3.640 1.00 3.07 N ATOM 1280 CA THR A 90 21.529 2.074 3.846 1.00 3.39 C ATOM 1281 C THR A 90 20.093 2.141 4.369 1.00 2.63 C ATOM 1282 O THR A 90 19.411 1.120 4.454 1.00 2.73 O ATOM 1283 CB THR A 90 21.732 2.828 2.530 1.00 4.30 C ATOM 1284 OG1 THR A 90 20.959 2.092 1.586 1.00 4.59 O ATOM 1285 CG2 THR A 90 23.165 2.715 2.007 1.00 5.00 C ATOM 0 H THR A 90 21.414 0.205 2.908 1.00 3.07 H new ATOM 0 HA THR A 90 22.143 2.553 4.609 1.00 3.39 H new ATOM 0 HB THR A 90 21.478 3.879 2.670 1.00 4.30 H new ATOM 0 HG1 THR A 90 21.032 2.513 0.704 1.00 4.59 H new ATOM 0 HG21 THR A 90 23.256 3.267 1.072 1.00 5.00 H new ATOM 0 HG22 THR A 90 23.854 3.131 2.742 1.00 5.00 H new ATOM 0 HG23 THR A 90 23.408 1.666 1.834 1.00 5.00 H new ATOM 1293 N HIS A 91 19.676 3.352 4.706 1.00 3.10 N ATOM 1294 CA HIS A 91 18.333 3.566 5.219 1.00 2.89 C ATOM 1295 C HIS A 91 17.333 2.752 4.395 1.00 2.28 C ATOM 1296 O HIS A 91 17.590 2.441 3.233 1.00 2.28 O ATOM 1297 CB HIS A 91 17.996 5.057 5.255 1.00 3.89 C ATOM 1298 CG HIS A 91 18.462 5.822 4.039 1.00 3.56 C ATOM 1299 ND1 HIS A 91 19.696 6.446 3.974 1.00 4.16 N ATOM 1300 CD2 HIS A 91 17.849 6.055 2.843 1.00 4.04 C ATOM 1301 CE1 HIS A 91 19.808 7.027 2.788 1.00 4.69 C ATOM 1302 NE2 HIS A 91 18.662 6.784 2.090 1.00 4.69 N ATOM 0 H HIS A 91 20.244 4.196 4.634 1.00 3.10 H new ATOM 0 HA HIS A 91 18.274 3.215 6.249 1.00 2.89 H new ATOM 0 HB2 HIS A 91 16.917 5.173 5.353 1.00 3.89 H new ATOM 0 HB3 HIS A 91 18.446 5.499 6.144 1.00 3.89 H new ATOM 0 HD2 HIS A 91 16.868 5.705 2.557 1.00 4.04 H new ATOM 0 HE1 HIS A 91 20.658 7.593 2.436 1.00 4.69 H new ATOM 0 HE2 HIS A 91 18.463 7.109 1.144 1.00 4.69 H new ATOM 1310 N PRO A 92 16.186 2.423 5.045 1.00 2.00 N ATOM 1311 CA PRO A 92 15.147 1.651 4.384 1.00 1.59 C ATOM 1312 C PRO A 92 14.373 2.514 3.386 1.00 1.30 C ATOM 1313 O PRO A 92 14.625 3.713 3.271 1.00 1.27 O ATOM 1314 CB PRO A 92 14.274 1.121 5.511 1.00 1.78 C ATOM 1315 CG PRO A 92 14.580 1.991 6.719 1.00 2.21 C ATOM 1316 CD PRO A 92 15.848 2.774 6.421 1.00 2.35 C ATOM 0 HA PRO A 92 15.548 0.831 3.788 1.00 1.59 H new ATOM 0 HB2 PRO A 92 13.218 1.177 5.247 1.00 1.78 H new ATOM 0 HB3 PRO A 92 14.496 0.074 5.717 1.00 1.78 H new ATOM 0 HG2 PRO A 92 13.751 2.669 6.920 1.00 2.21 H new ATOM 0 HG3 PRO A 92 14.712 1.376 7.609 1.00 2.21 H new ATOM 0 HD2 PRO A 92 15.685 3.847 6.527 1.00 2.35 H new ATOM 0 HD3 PRO A 92 16.651 2.504 7.107 1.00 2.35 H new ATOM 1324 N ILE A 93 13.449 1.871 2.687 1.00 1.28 N ATOM 1325 CA ILE A 93 12.638 2.565 1.701 1.00 1.11 C ATOM 1326 C ILE A 93 11.181 2.581 2.167 1.00 1.06 C ATOM 1327 O ILE A 93 10.683 1.588 2.696 1.00 1.67 O ATOM 1328 CB ILE A 93 12.835 1.948 0.316 1.00 1.30 C ATOM 1329 CG1 ILE A 93 14.305 2.000 -0.104 1.00 1.82 C ATOM 1330 CG2 ILE A 93 11.920 2.614 -0.716 1.00 1.50 C ATOM 1331 CD1 ILE A 93 14.739 3.436 -0.405 1.00 2.74 C ATOM 0 H ILE A 93 13.244 0.877 2.784 1.00 1.28 H new ATOM 0 HA ILE A 93 12.955 3.604 1.609 1.00 1.11 H new ATOM 0 HB ILE A 93 12.552 0.897 0.367 1.00 1.30 H new ATOM 0 HG12 ILE A 93 14.928 1.587 0.689 1.00 1.82 H new ATOM 0 HG13 ILE A 93 14.457 1.378 -0.986 1.00 1.82 H new ATOM 0 HG21 ILE A 93 12.080 2.157 -1.693 1.00 1.50 H new ATOM 0 HG22 ILE A 93 10.880 2.481 -0.419 1.00 1.50 H new ATOM 0 HG23 ILE A 93 12.149 3.678 -0.772 1.00 1.50 H new ATOM 0 HD11 ILE A 93 15.788 3.445 -0.701 1.00 2.74 H new ATOM 0 HD12 ILE A 93 14.130 3.838 -1.215 1.00 2.74 H new ATOM 0 HD13 ILE A 93 14.609 4.050 0.486 1.00 2.74 H new ATOM 1343 N THR A 94 10.537 3.719 1.953 1.00 0.55 N ATOM 1344 CA THR A 94 9.146 3.878 2.344 1.00 0.51 C ATOM 1345 C THR A 94 8.330 4.458 1.187 1.00 0.50 C ATOM 1346 O THR A 94 8.893 4.918 0.195 1.00 0.85 O ATOM 1347 CB THR A 94 9.105 4.737 3.609 1.00 0.64 C ATOM 1348 OG1 THR A 94 9.729 5.957 3.219 1.00 0.71 O ATOM 1349 CG2 THR A 94 10.010 4.194 4.716 1.00 0.85 C ATOM 0 H THR A 94 10.953 4.540 1.514 1.00 0.55 H new ATOM 0 HA THR A 94 8.687 2.916 2.573 1.00 0.51 H new ATOM 0 HB THR A 94 8.080 4.796 3.975 1.00 0.64 H new ATOM 0 HG1 THR A 94 9.744 6.575 3.980 1.00 0.71 H new ATOM 0 HG21 THR A 94 9.943 4.841 5.591 1.00 0.85 H new ATOM 0 HG22 THR A 94 9.692 3.187 4.985 1.00 0.85 H new ATOM 0 HG23 THR A 94 11.041 4.167 4.363 1.00 0.85 H new ATOM 1357 N GLY A 95 7.017 4.420 1.354 1.00 0.45 N ATOM 1358 CA GLY A 95 6.117 4.937 0.337 1.00 0.41 C ATOM 1359 C GLY A 95 4.686 5.038 0.870 1.00 0.43 C ATOM 1360 O GLY A 95 4.341 4.393 1.858 1.00 0.70 O ATOM 0 H GLY A 95 6.554 4.039 2.179 1.00 0.45 H new ATOM 0 HA2 GLY A 95 6.457 5.920 0.011 1.00 0.41 H new ATOM 0 HA3 GLY A 95 6.138 4.286 -0.537 1.00 0.41 H new ATOM 1364 N SER A 96 3.892 5.851 0.190 1.00 0.42 N ATOM 1365 CA SER A 96 2.506 6.045 0.582 1.00 0.54 C ATOM 1366 C SER A 96 1.635 6.250 -0.659 1.00 0.42 C ATOM 1367 O SER A 96 2.106 6.756 -1.676 1.00 0.54 O ATOM 1368 CB SER A 96 2.364 7.234 1.534 1.00 0.91 C ATOM 1369 OG SER A 96 3.597 7.561 2.168 1.00 1.04 O ATOM 0 H SER A 96 4.182 6.383 -0.630 1.00 0.42 H new ATOM 0 HA SER A 96 2.171 5.151 1.109 1.00 0.54 H new ATOM 0 HB2 SER A 96 2.000 8.100 0.981 1.00 0.91 H new ATOM 0 HB3 SER A 96 1.616 7.003 2.293 1.00 0.91 H new ATOM 0 HG SER A 96 3.464 8.326 2.766 1.00 1.04 H new ATOM 1375 N VAL A 97 0.379 5.846 -0.534 1.00 0.45 N ATOM 1376 CA VAL A 97 -0.563 5.979 -1.632 1.00 0.34 C ATOM 1377 C VAL A 97 -1.939 6.347 -1.076 1.00 0.36 C ATOM 1378 O VAL A 97 -2.668 5.484 -0.590 1.00 0.38 O ATOM 1379 CB VAL A 97 -0.579 4.696 -2.466 1.00 0.33 C ATOM 1380 CG1 VAL A 97 -1.141 4.959 -3.865 1.00 0.45 C ATOM 1381 CG2 VAL A 97 0.817 4.076 -2.545 1.00 0.61 C ATOM 0 H VAL A 97 -0.008 5.426 0.311 1.00 0.45 H new ATOM 0 HA VAL A 97 -0.258 6.783 -2.302 1.00 0.34 H new ATOM 0 HB VAL A 97 -1.235 3.982 -1.969 1.00 0.33 H new ATOM 0 HG11 VAL A 97 -1.141 4.031 -4.437 1.00 0.45 H new ATOM 0 HG12 VAL A 97 -2.161 5.335 -3.783 1.00 0.45 H new ATOM 0 HG13 VAL A 97 -0.522 5.698 -4.373 1.00 0.45 H new ATOM 0 HG21 VAL A 97 0.777 3.166 -3.143 1.00 0.61 H new ATOM 0 HG22 VAL A 97 1.504 4.785 -3.007 1.00 0.61 H new ATOM 0 HG23 VAL A 97 1.166 3.835 -1.541 1.00 0.61 H new ATOM 1391 N THR A 98 -2.255 7.631 -1.168 1.00 0.39 N ATOM 1392 CA THR A 98 -3.532 8.125 -0.680 1.00 0.44 C ATOM 1393 C THR A 98 -4.608 7.971 -1.755 1.00 0.39 C ATOM 1394 O THR A 98 -4.362 8.240 -2.929 1.00 0.39 O ATOM 1395 CB THR A 98 -3.335 9.570 -0.218 1.00 0.54 C ATOM 1396 OG1 THR A 98 -4.519 9.864 0.517 1.00 0.64 O ATOM 1397 CG2 THR A 98 -3.362 10.565 -1.382 1.00 0.57 C ATOM 0 H THR A 98 -1.649 8.344 -1.573 1.00 0.39 H new ATOM 0 HA THR A 98 -3.883 7.542 0.172 1.00 0.44 H new ATOM 0 HB THR A 98 -2.386 9.656 0.312 1.00 0.54 H new ATOM 0 HG1 THR A 98 -4.632 10.835 0.581 1.00 0.64 H new ATOM 0 HG21 THR A 98 -3.218 11.576 -1.000 1.00 0.57 H new ATOM 0 HG22 THR A 98 -2.564 10.325 -2.084 1.00 0.57 H new ATOM 0 HG23 THR A 98 -4.324 10.503 -1.891 1.00 0.57 H new ATOM 1405 N PHE A 99 -5.782 7.538 -1.315 1.00 0.38 N ATOM 1406 CA PHE A 99 -6.897 7.345 -2.225 1.00 0.35 C ATOM 1407 C PHE A 99 -8.233 7.529 -1.502 1.00 0.36 C ATOM 1408 O PHE A 99 -8.324 7.311 -0.294 1.00 0.37 O ATOM 1409 CB PHE A 99 -6.806 5.910 -2.747 1.00 0.32 C ATOM 1410 CG PHE A 99 -7.172 4.847 -1.710 1.00 0.31 C ATOM 1411 CD1 PHE A 99 -8.462 4.714 -1.299 1.00 1.63 C ATOM 1412 CD2 PHE A 99 -6.209 4.034 -1.199 1.00 1.76 C ATOM 1413 CE1 PHE A 99 -8.802 3.727 -0.336 1.00 1.61 C ATOM 1414 CE2 PHE A 99 -6.549 3.046 -0.237 1.00 1.79 C ATOM 1415 CZ PHE A 99 -7.838 2.914 0.175 1.00 0.36 C ATOM 0 H PHE A 99 -5.984 7.316 -0.340 1.00 0.38 H new ATOM 0 HA PHE A 99 -6.848 8.075 -3.033 1.00 0.35 H new ATOM 0 HB2 PHE A 99 -7.466 5.805 -3.608 1.00 0.32 H new ATOM 0 HB3 PHE A 99 -5.791 5.726 -3.099 1.00 0.32 H new ATOM 0 HD1 PHE A 99 -9.227 5.359 -1.705 1.00 1.63 H new ATOM 0 HD2 PHE A 99 -5.185 4.140 -1.525 1.00 1.76 H new ATOM 0 HE1 PHE A 99 -9.826 3.622 -0.009 1.00 1.61 H new ATOM 0 HE2 PHE A 99 -5.784 2.400 0.167 1.00 1.79 H new ATOM 0 HZ PHE A 99 -8.097 2.164 0.908 1.00 0.36 H new ATOM 1425 N LYS A 100 -9.236 7.928 -2.270 1.00 0.40 N ATOM 1426 CA LYS A 100 -10.563 8.143 -1.718 1.00 0.43 C ATOM 1427 C LYS A 100 -11.490 7.016 -2.178 1.00 0.43 C ATOM 1428 O LYS A 100 -11.188 6.312 -3.139 1.00 0.44 O ATOM 1429 CB LYS A 100 -11.071 9.541 -2.074 1.00 0.50 C ATOM 1430 CG LYS A 100 -10.320 10.615 -1.283 1.00 0.53 C ATOM 1431 CD LYS A 100 -10.846 12.012 -1.619 1.00 1.30 C ATOM 1432 CE LYS A 100 -12.214 12.252 -0.978 1.00 2.44 C ATOM 1433 NZ LYS A 100 -12.518 13.699 -0.931 1.00 2.81 N ATOM 0 H LYS A 100 -9.156 8.108 -3.271 1.00 0.40 H new ATOM 0 HA LYS A 100 -10.533 8.108 -0.629 1.00 0.43 H new ATOM 0 HB2 LYS A 100 -10.945 9.716 -3.142 1.00 0.50 H new ATOM 0 HB3 LYS A 100 -12.138 9.609 -1.863 1.00 0.50 H new ATOM 0 HG2 LYS A 100 -10.430 10.428 -0.215 1.00 0.53 H new ATOM 0 HG3 LYS A 100 -9.255 10.560 -1.508 1.00 0.53 H new ATOM 0 HD2 LYS A 100 -10.139 12.764 -1.269 1.00 1.30 H new ATOM 0 HD3 LYS A 100 -10.922 12.125 -2.700 1.00 1.30 H new ATOM 0 HE2 LYS A 100 -12.985 11.731 -1.546 1.00 2.44 H new ATOM 0 HE3 LYS A 100 -12.227 11.839 0.031 1.00 2.44 H new ATOM 0 HZ1 LYS A 100 -13.450 13.844 -0.493 1.00 2.81 H new ATOM 0 HZ2 LYS A 100 -11.792 14.188 -0.370 1.00 2.81 H new ATOM 0 HZ3 LYS A 100 -12.526 14.084 -1.897 1.00 2.81 H new ATOM 1447 N VAL A 101 -12.600 6.881 -1.468 1.00 0.45 N ATOM 1448 CA VAL A 101 -13.574 5.852 -1.790 1.00 0.48 C ATOM 1449 C VAL A 101 -14.983 6.446 -1.711 1.00 0.57 C ATOM 1450 O VAL A 101 -15.393 6.943 -0.664 1.00 0.58 O ATOM 1451 CB VAL A 101 -13.383 4.644 -0.871 1.00 0.43 C ATOM 1452 CG1 VAL A 101 -14.425 3.562 -1.165 1.00 0.55 C ATOM 1453 CG2 VAL A 101 -11.964 4.085 -0.989 1.00 0.41 C ATOM 0 H VAL A 101 -12.847 7.467 -0.671 1.00 0.45 H new ATOM 0 HA VAL A 101 -13.428 5.495 -2.809 1.00 0.48 H new ATOM 0 HB VAL A 101 -13.527 4.978 0.157 1.00 0.43 H new ATOM 0 HG11 VAL A 101 -14.267 2.714 -0.498 1.00 0.55 H new ATOM 0 HG12 VAL A 101 -15.425 3.967 -1.007 1.00 0.55 H new ATOM 0 HG13 VAL A 101 -14.326 3.233 -2.200 1.00 0.55 H new ATOM 0 HG21 VAL A 101 -11.855 3.227 -0.326 1.00 0.41 H new ATOM 0 HG22 VAL A 101 -11.780 3.774 -2.017 1.00 0.41 H new ATOM 0 HG23 VAL A 101 -11.245 4.855 -0.708 1.00 0.41 H new ATOM 1463 N LYS A 102 -15.684 6.375 -2.833 1.00 0.66 N ATOM 1464 CA LYS A 102 -17.037 6.899 -2.904 1.00 0.76 C ATOM 1465 C LYS A 102 -18.006 5.757 -3.217 1.00 0.92 C ATOM 1466 O LYS A 102 -18.586 5.164 -2.309 1.00 1.53 O ATOM 1467 CB LYS A 102 -17.111 8.058 -3.900 1.00 0.76 C ATOM 1468 CG LYS A 102 -16.129 9.170 -3.522 1.00 0.68 C ATOM 1469 CD LYS A 102 -16.872 10.408 -3.015 1.00 0.96 C ATOM 1470 CE LYS A 102 -16.177 11.000 -1.788 1.00 1.77 C ATOM 1471 NZ LYS A 102 -17.036 12.022 -1.149 1.00 2.43 N ATOM 1472 OXT LYS A 102 -18.463 5.061 -2.313 1.00 1.06 O ATOM 0 H LYS A 102 -15.340 5.962 -3.700 1.00 0.66 H new ATOM 0 HA LYS A 102 -17.335 7.316 -1.942 1.00 0.76 H new ATOM 0 HB2 LYS A 102 -16.886 7.695 -4.903 1.00 0.76 H new ATOM 0 HB3 LYS A 102 -18.125 8.457 -3.925 1.00 0.76 H new ATOM 0 HG2 LYS A 102 -15.446 8.811 -2.752 1.00 0.68 H new ATOM 0 HG3 LYS A 102 -15.523 9.435 -4.388 1.00 0.68 H new ATOM 0 HD2 LYS A 102 -16.921 11.156 -3.806 1.00 0.96 H new ATOM 0 HD3 LYS A 102 -17.899 10.143 -2.763 1.00 0.96 H new ATOM 0 HE2 LYS A 102 -15.951 10.208 -1.074 1.00 1.77 H new ATOM 0 HE3 LYS A 102 -15.227 11.446 -2.081 1.00 1.77 H new ATOM 0 HZ1 LYS A 102 -16.549 12.414 -0.318 1.00 2.43 H new ATOM 0 HZ2 LYS A 102 -17.231 12.785 -1.828 1.00 2.43 H new ATOM 0 HZ3 LYS A 102 -17.932 11.586 -0.852 1.00 2.43 H new TER 1486 LYS A 102 HETATM 1487 CU CU A 103 18.400 0.546 -5.125 1.00 1.28 CU