USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 735 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 77 THR OG1 : rot 180:sc= 0.322 USER MOD Set 1.2: A 100 THR OG1 : rot -66:sc= 0.337 USER MOD Set 2.1: A 49 SER OG : rot -48:sc= 0.935 USER MOD Set 2.2: A 79 SER OG : rot 43:sc= 0.765! USER MOD Set 3.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 61 GLN : amide:sc= -2.07! K(o=-2.1!,f=-1) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0853 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.2!) USER MOD Single : A 39 SER OG : rot -80:sc= -2.1 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 25:sc= 0.561 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.633 USER MOD Single : A 48 MET CE :methyl -128:sc= -0.444 (180deg=-2.46!) USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.23) USER MOD Single : A 60 TYR OH : rot 83:sc= -0.221 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -70:sc= -2.7 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.936 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -1.45 K(o=-1.4,f=-14!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 143:sc= -5.26! (180deg=-9.32!) USER MOD Single : A 94 SER OG : rot 82:sc= -0.0522 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -153:sc= 0.0152 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.537 16.964 4.638 1.00 0.00 N ATOM 67 CA PRO A 8 9.767 15.808 4.171 1.00 0.00 C ATOM 68 C PRO A 8 8.829 16.161 3.022 1.00 0.00 C ATOM 69 O PRO A 8 8.458 17.319 2.826 1.00 0.00 O ATOM 70 CB PRO A 8 8.965 15.393 5.408 1.00 0.00 C ATOM 71 CG PRO A 8 8.849 16.638 6.218 1.00 0.00 C ATOM 72 CD PRO A 8 10.117 17.409 5.977 1.00 0.00 C ATOM 0 HA PRO A 8 10.411 15.021 3.779 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.984 15.007 5.133 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.473 14.605 5.964 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.976 17.219 5.918 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.729 16.405 7.276 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.945 18.485 6.007 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.873 17.186 6.730 1.00 0.00 H new ATOM 80 N PRO A 9 8.434 15.143 2.244 1.00 0.00 N ATOM 81 CA PRO A 9 7.534 15.322 1.101 1.00 0.00 C ATOM 82 C PRO A 9 6.113 15.671 1.532 1.00 0.00 C ATOM 83 O PRO A 9 5.684 15.322 2.631 1.00 0.00 O ATOM 84 CB PRO A 9 7.562 13.957 0.409 1.00 0.00 C ATOM 85 CG PRO A 9 7.921 12.993 1.487 1.00 0.00 C ATOM 86 CD PRO A 9 8.837 13.737 2.420 1.00 0.00 C ATOM 0 HA PRO A 9 7.848 16.146 0.460 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.594 13.716 -0.031 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.293 13.938 -0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.031 12.644 2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.415 12.113 1.075 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.712 13.409 3.452 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.885 13.584 2.162 1.00 0.00 H new ATOM 94 N GLY A 10 5.387 16.362 0.658 1.00 0.00 N ATOM 95 CA GLY A 10 4.022 16.746 0.967 1.00 0.00 C ATOM 96 C GLY A 10 3.068 15.569 0.938 1.00 0.00 C ATOM 97 O GLY A 10 3.479 14.411 0.876 1.00 0.00 O ATOM 0 H GLY A 10 5.720 16.663 -0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.993 17.209 1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.689 17.498 0.252 1.00 0.00 H new ATOM 101 N PRO A 11 1.760 15.862 0.984 1.00 0.00 N ATOM 102 CA PRO A 11 0.717 14.832 0.964 1.00 0.00 C ATOM 103 C PRO A 11 0.614 14.137 -0.389 1.00 0.00 C ATOM 104 O PRO A 11 0.253 14.758 -1.390 1.00 0.00 O ATOM 105 CB PRO A 11 -0.563 15.617 1.261 1.00 0.00 C ATOM 106 CG PRO A 11 -0.269 17.006 0.808 1.00 0.00 C ATOM 107 CD PRO A 11 1.198 17.221 1.058 1.00 0.00 C ATOM 0 HA PRO A 11 0.919 14.034 1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.417 15.199 0.728 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.807 15.590 2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.507 17.131 -0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.869 17.731 1.358 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.640 17.880 0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.377 17.677 2.032 1.00 0.00 H new ATOM 115 N CYS A 12 0.931 12.848 -0.413 1.00 0.00 N ATOM 116 CA CYS A 12 0.874 12.069 -1.644 1.00 0.00 C ATOM 117 C CYS A 12 -0.569 11.732 -2.009 1.00 0.00 C ATOM 118 O CYS A 12 -1.482 11.908 -1.201 1.00 0.00 O ATOM 119 CB CYS A 12 1.689 10.783 -1.497 1.00 0.00 C ATOM 120 SG CYS A 12 3.390 11.046 -0.944 1.00 0.00 S ATOM 0 H CYS A 12 1.230 12.320 0.407 1.00 0.00 H new ATOM 0 HA CYS A 12 1.301 12.672 -2.446 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.185 10.126 -0.788 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.706 10.265 -2.456 1.00 0.00 H new ATOM 0 HG CYS A 12 3.997 9.900 -0.848 1.00 0.00 H new ATOM 126 N LEU A 13 -0.767 11.249 -3.230 1.00 0.00 N ATOM 127 CA LEU A 13 -2.100 10.889 -3.703 1.00 0.00 C ATOM 128 C LEU A 13 -2.426 9.439 -3.360 1.00 0.00 C ATOM 129 O LEU A 13 -1.540 8.603 -3.185 1.00 0.00 O ATOM 130 CB LEU A 13 -2.201 11.103 -5.214 1.00 0.00 C ATOM 131 CG LEU A 13 -2.234 12.557 -5.686 1.00 0.00 C ATOM 132 CD1 LEU A 13 -2.050 12.634 -7.193 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.538 13.223 -5.271 1.00 0.00 C ATOM 0 H LEU A 13 -0.023 11.097 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.823 11.533 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.354 10.607 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.102 10.605 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.410 13.091 -5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.076 13.677 -7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.090 12.196 -7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.852 12.085 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.544 14.257 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.377 12.688 -5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.628 13.202 -4.185 1.00 0.00 H new ATOM 145 N PRO A 14 -3.728 9.132 -3.264 1.00 0.00 N ATOM 146 CA PRO A 14 -4.202 7.782 -2.945 1.00 0.00 C ATOM 147 C PRO A 14 -3.952 6.796 -4.081 1.00 0.00 C ATOM 148 O PRO A 14 -4.071 7.129 -5.261 1.00 0.00 O ATOM 149 CB PRO A 14 -5.704 7.976 -2.725 1.00 0.00 C ATOM 150 CG PRO A 14 -6.049 9.189 -3.517 1.00 0.00 C ATOM 151 CD PRO A 14 -4.838 10.079 -3.461 1.00 0.00 C ATOM 0 HA PRO A 14 -3.683 7.360 -2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.269 7.108 -3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.935 8.114 -1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.293 8.926 -4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.922 9.691 -3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.718 10.653 -4.380 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.904 10.797 -2.643 1.00 0.00 H new ATOM 159 N PRO A 15 -3.598 5.554 -3.721 1.00 0.00 N ATOM 160 CA PRO A 15 -3.326 4.494 -4.696 1.00 0.00 C ATOM 161 C PRO A 15 -4.588 4.031 -5.416 1.00 0.00 C ATOM 162 O PRO A 15 -5.623 3.802 -4.790 1.00 0.00 O ATOM 163 CB PRO A 15 -2.753 3.362 -3.839 1.00 0.00 C ATOM 164 CG PRO A 15 -3.313 3.596 -2.479 1.00 0.00 C ATOM 165 CD PRO A 15 -3.437 5.088 -2.333 1.00 0.00 C ATOM 0 HA PRO A 15 -2.655 4.830 -5.487 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.046 2.386 -4.225 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.663 3.386 -3.828 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.283 3.111 -2.368 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.659 3.182 -1.711 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.292 5.362 -1.715 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.554 5.521 -1.864 1.00 0.00 H new ATOM 173 N ARG A 16 -4.494 3.895 -6.735 1.00 0.00 N ATOM 174 CA ARG A 16 -5.629 3.459 -7.540 1.00 0.00 C ATOM 175 C ARG A 16 -5.601 1.948 -7.747 1.00 0.00 C ATOM 176 O ARG A 16 -4.672 1.410 -8.353 1.00 0.00 O ATOM 177 CB ARG A 16 -5.623 4.170 -8.895 1.00 0.00 C ATOM 178 CG ARG A 16 -6.218 5.568 -8.851 1.00 0.00 C ATOM 179 CD ARG A 16 -7.692 5.535 -8.476 1.00 0.00 C ATOM 180 NE ARG A 16 -8.411 6.703 -8.977 1.00 0.00 N ATOM 181 CZ ARG A 16 -9.678 6.969 -8.681 1.00 0.00 C ATOM 182 NH1 ARG A 16 -10.362 6.154 -7.890 1.00 0.00 N ATOM 183 NH2 ARG A 16 -10.263 8.052 -9.175 1.00 0.00 N ATOM 0 H ARG A 16 -3.644 4.080 -7.268 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.543 3.718 -7.005 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.597 4.232 -9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.180 3.569 -9.614 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.671 6.175 -8.129 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.099 6.046 -9.824 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.148 4.630 -8.877 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.789 5.487 -7.391 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.913 7.350 -9.588 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.915 5.321 -7.507 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.335 6.360 -7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.740 8.682 -9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.236 8.255 -8.947 1.00 0.00 H new ATOM 197 N LEU A 17 -6.623 1.267 -7.240 1.00 0.00 N ATOM 198 CA LEU A 17 -6.716 -0.183 -7.369 1.00 0.00 C ATOM 199 C LEU A 17 -6.144 -0.649 -8.704 1.00 0.00 C ATOM 200 O LEU A 17 -6.277 0.035 -9.719 1.00 0.00 O ATOM 201 CB LEU A 17 -8.172 -0.634 -7.239 1.00 0.00 C ATOM 202 CG LEU A 17 -8.392 -2.034 -6.665 1.00 0.00 C ATOM 203 CD1 LEU A 17 -9.768 -2.138 -6.025 1.00 0.00 C ATOM 204 CD2 LEU A 17 -8.225 -3.088 -7.750 1.00 0.00 C ATOM 0 H LEU A 17 -7.399 1.696 -6.736 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.130 -0.633 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.698 0.082 -6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.634 -0.591 -8.225 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.641 -2.212 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.907 -3.141 -5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.851 -1.409 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.534 -1.939 -6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.385 -4.078 -7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.952 -2.913 -8.543 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.218 -3.029 -8.162 1.00 0.00 H new ATOM 216 N GLN A 18 -5.511 -1.817 -8.695 1.00 0.00 N ATOM 217 CA GLN A 18 -4.921 -2.375 -9.906 1.00 0.00 C ATOM 218 C GLN A 18 -5.793 -3.489 -10.474 1.00 0.00 C ATOM 219 O GLN A 18 -6.147 -4.434 -9.769 1.00 0.00 O ATOM 220 CB GLN A 18 -3.516 -2.908 -9.616 1.00 0.00 C ATOM 221 CG GLN A 18 -2.591 -2.871 -10.821 1.00 0.00 C ATOM 222 CD GLN A 18 -1.458 -3.873 -10.718 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.538 -4.977 -11.257 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.393 -3.492 -10.022 1.00 0.00 N ATOM 0 H GLN A 18 -5.393 -2.395 -7.863 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.854 -1.578 -10.647 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.073 -2.322 -8.810 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.593 -3.935 -9.259 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.168 -3.072 -11.724 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.176 -1.868 -10.925 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.369 -2.567 -9.592 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.401 -4.124 -9.918 1.00 0.00 H new ATOM 233 N GLY A 19 -6.138 -3.372 -11.752 1.00 0.00 N ATOM 234 CA GLY A 19 -6.967 -4.376 -12.393 1.00 0.00 C ATOM 235 C GLY A 19 -8.231 -4.670 -11.609 1.00 0.00 C ATOM 236 O GLY A 19 -9.214 -3.936 -11.706 1.00 0.00 O ATOM 0 H GLY A 19 -5.858 -2.599 -12.356 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.234 -4.037 -13.394 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.394 -5.296 -12.510 1.00 0.00 H new ATOM 240 N ARG A 20 -8.206 -5.748 -10.832 1.00 0.00 N ATOM 241 CA ARG A 20 -9.360 -6.139 -10.030 1.00 0.00 C ATOM 242 C ARG A 20 -8.921 -6.686 -8.676 1.00 0.00 C ATOM 243 O ARG A 20 -7.941 -7.424 -8.565 1.00 0.00 O ATOM 244 CB ARG A 20 -10.191 -7.188 -10.772 1.00 0.00 C ATOM 245 CG ARG A 20 -10.747 -6.698 -12.099 1.00 0.00 C ATOM 246 CD ARG A 20 -12.054 -5.944 -11.911 1.00 0.00 C ATOM 247 NE ARG A 20 -12.659 -5.572 -13.187 1.00 0.00 N ATOM 248 CZ ARG A 20 -13.609 -4.652 -13.309 1.00 0.00 C ATOM 249 NH1 ARG A 20 -14.059 -4.013 -12.238 1.00 0.00 N ATOM 250 NH2 ARG A 20 -14.110 -4.368 -14.505 1.00 0.00 N ATOM 0 H ARG A 20 -7.400 -6.366 -10.741 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.972 -5.253 -9.862 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.574 -8.069 -10.949 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.018 -7.501 -10.135 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.017 -6.049 -12.583 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.908 -7.547 -12.763 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.751 -6.562 -11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.873 -5.046 -11.320 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.334 -6.045 -14.031 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.675 -4.228 -11.318 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.789 -3.307 -12.335 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.765 -4.857 -15.331 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.840 -3.661 -14.598 1.00 0.00 H new ATOM 264 N PRO A 21 -9.661 -6.317 -7.620 1.00 0.00 N ATOM 265 CA PRO A 21 -9.367 -6.760 -6.253 1.00 0.00 C ATOM 266 C PRO A 21 -9.645 -8.246 -6.053 1.00 0.00 C ATOM 267 O PRO A 21 -10.245 -8.897 -6.909 1.00 0.00 O ATOM 268 CB PRO A 21 -10.315 -5.918 -5.396 1.00 0.00 C ATOM 269 CG PRO A 21 -11.443 -5.573 -6.306 1.00 0.00 C ATOM 270 CD PRO A 21 -10.842 -5.440 -7.678 1.00 0.00 C ATOM 0 HA PRO A 21 -8.315 -6.632 -6.000 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.664 -6.476 -4.527 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.820 -5.022 -5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.209 -6.348 -6.289 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.923 -4.644 -5.998 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.539 -5.756 -8.454 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.566 -4.409 -7.898 1.00 0.00 H new ATOM 278 N LYS A 22 -9.205 -8.778 -4.918 1.00 0.00 N ATOM 279 CA LYS A 22 -9.408 -10.187 -4.603 1.00 0.00 C ATOM 280 C LYS A 22 -10.254 -10.347 -3.344 1.00 0.00 C ATOM 281 O LYS A 22 -10.713 -9.364 -2.764 1.00 0.00 O ATOM 282 CB LYS A 22 -8.060 -10.888 -4.418 1.00 0.00 C ATOM 283 CG LYS A 22 -7.149 -10.784 -5.629 1.00 0.00 C ATOM 284 CD LYS A 22 -7.421 -11.896 -6.629 1.00 0.00 C ATOM 285 CE LYS A 22 -6.251 -12.088 -7.581 1.00 0.00 C ATOM 286 NZ LYS A 22 -5.165 -12.901 -6.968 1.00 0.00 N ATOM 0 H LYS A 22 -8.705 -8.254 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.939 -10.647 -5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.552 -10.459 -3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.235 -11.940 -4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.292 -9.817 -6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.108 -10.829 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.614 -12.827 -6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.320 -11.662 -7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.600 -12.575 -8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.856 -11.115 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.386 -13.009 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.814 -12.424 -6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.535 -13.839 -6.714 1.00 0.00 H new ATOM 300 N ALA A 23 -10.454 -11.593 -2.925 1.00 0.00 N ATOM 301 CA ALA A 23 -11.241 -11.881 -1.733 1.00 0.00 C ATOM 302 C ALA A 23 -10.501 -11.453 -0.470 1.00 0.00 C ATOM 303 O ALA A 23 -11.065 -10.785 0.396 1.00 0.00 O ATOM 304 CB ALA A 23 -11.582 -13.362 -1.671 1.00 0.00 C ATOM 0 H ALA A 23 -10.081 -12.419 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.167 -11.309 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.170 -13.563 -0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.158 -13.640 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.662 -13.946 -1.640 1.00 0.00 H new ATOM 310 N LYS A 24 -9.235 -11.843 -0.371 1.00 0.00 N ATOM 311 CA LYS A 24 -8.416 -11.501 0.786 1.00 0.00 C ATOM 312 C LYS A 24 -7.167 -10.734 0.360 1.00 0.00 C ATOM 313 O LYS A 24 -6.221 -10.594 1.135 1.00 0.00 O ATOM 314 CB LYS A 24 -8.016 -12.767 1.547 1.00 0.00 C ATOM 315 CG LYS A 24 -9.198 -13.624 1.964 1.00 0.00 C ATOM 316 CD LYS A 24 -8.847 -14.525 3.137 1.00 0.00 C ATOM 317 CE LYS A 24 -10.065 -14.821 3.997 1.00 0.00 C ATOM 318 NZ LYS A 24 -9.969 -16.153 4.656 1.00 0.00 N ATOM 0 H LYS A 24 -8.753 -12.397 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.007 -10.863 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.349 -13.361 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.452 -12.484 2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.036 -12.982 2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.523 -14.233 1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.427 -15.460 2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.078 -14.049 3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.170 -14.047 4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.963 -14.785 3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.819 -16.317 5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.895 -16.895 3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.126 -16.179 5.265 1.00 0.00 H new ATOM 332 N GLU A 25 -7.173 -10.240 -0.873 1.00 0.00 N ATOM 333 CA GLU A 25 -6.040 -9.487 -1.400 1.00 0.00 C ATOM 334 C GLU A 25 -6.514 -8.341 -2.289 1.00 0.00 C ATOM 335 O GLU A 25 -7.618 -8.380 -2.833 1.00 0.00 O ATOM 336 CB GLU A 25 -5.110 -10.410 -2.190 1.00 0.00 C ATOM 337 CG GLU A 25 -4.239 -11.293 -1.312 1.00 0.00 C ATOM 338 CD GLU A 25 -3.829 -12.579 -2.004 1.00 0.00 C ATOM 339 OE1 GLU A 25 -4.717 -13.273 -2.541 1.00 0.00 O ATOM 340 OE2 GLU A 25 -2.620 -12.891 -2.008 1.00 0.00 O ATOM 0 H GLU A 25 -7.949 -10.347 -1.526 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.492 -9.066 -0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.710 -11.042 -2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.469 -9.804 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.346 -10.741 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.779 -11.534 -0.396 1.00 0.00 H new ATOM 347 N ILE A 26 -5.672 -7.323 -2.431 1.00 0.00 N ATOM 348 CA ILE A 26 -6.004 -6.167 -3.254 1.00 0.00 C ATOM 349 C ILE A 26 -4.747 -5.517 -3.821 1.00 0.00 C ATOM 350 O ILE A 26 -3.882 -5.061 -3.074 1.00 0.00 O ATOM 351 CB ILE A 26 -6.796 -5.116 -2.454 1.00 0.00 C ATOM 352 CG1 ILE A 26 -7.996 -5.767 -1.763 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.253 -3.989 -3.369 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.898 -4.777 -1.060 1.00 0.00 C ATOM 0 H ILE A 26 -4.755 -7.275 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.623 -6.530 -4.074 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.144 -4.696 -1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.579 -6.315 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.636 -6.497 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.811 -3.254 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.383 -3.511 -3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.892 -4.394 -4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.727 -5.308 -0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.330 -4.246 -0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.288 -4.062 -1.784 1.00 0.00 H new ATOM 366 N GLN A 27 -4.655 -5.477 -5.146 1.00 0.00 N ATOM 367 CA GLN A 27 -3.503 -4.881 -5.814 1.00 0.00 C ATOM 368 C GLN A 27 -3.669 -3.370 -5.940 1.00 0.00 C ATOM 369 O GLN A 27 -4.772 -2.873 -6.171 1.00 0.00 O ATOM 370 CB GLN A 27 -3.311 -5.503 -7.198 1.00 0.00 C ATOM 371 CG GLN A 27 -2.878 -6.959 -7.156 1.00 0.00 C ATOM 372 CD GLN A 27 -3.268 -7.720 -8.408 1.00 0.00 C ATOM 373 OE1 GLN A 27 -4.318 -7.469 -8.999 1.00 0.00 O ATOM 374 NE2 GLN A 27 -2.422 -8.657 -8.819 1.00 0.00 N ATOM 0 H GLN A 27 -5.363 -5.850 -5.778 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.619 -5.082 -5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.245 -5.426 -7.754 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.566 -4.927 -7.746 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.797 -7.009 -7.027 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.325 -7.442 -6.287 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.562 -8.832 -8.298 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.632 -9.202 -9.655 1.00 0.00 H new ATOM 383 N LEU A 28 -2.567 -2.644 -5.788 1.00 0.00 N ATOM 384 CA LEU A 28 -2.590 -1.189 -5.885 1.00 0.00 C ATOM 385 C LEU A 28 -1.457 -0.684 -6.772 1.00 0.00 C ATOM 386 O LEU A 28 -0.421 -1.336 -6.904 1.00 0.00 O ATOM 387 CB LEU A 28 -2.480 -0.564 -4.493 1.00 0.00 C ATOM 388 CG LEU A 28 -3.507 -1.035 -3.462 1.00 0.00 C ATOM 389 CD1 LEU A 28 -2.947 -0.907 -2.054 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.800 -0.244 -3.598 1.00 0.00 C ATOM 0 H LEU A 28 -1.646 -3.039 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.538 -0.895 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.483 -0.769 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.567 0.518 -4.595 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.726 -2.086 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.692 -1.247 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.049 -1.518 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.699 0.135 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.519 -0.592 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.597 0.815 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.211 -0.387 -4.597 1.00 0.00 H new ATOM 402 N ARG A 29 -1.660 0.482 -7.377 1.00 0.00 N ATOM 403 CA ARG A 29 -0.655 1.074 -8.251 1.00 0.00 C ATOM 404 C ARG A 29 -0.661 2.596 -8.133 1.00 0.00 C ATOM 405 O ARG A 29 -1.554 3.265 -8.654 1.00 0.00 O ATOM 406 CB ARG A 29 -0.906 0.664 -9.703 1.00 0.00 C ATOM 407 CG ARG A 29 -0.254 1.588 -10.719 1.00 0.00 C ATOM 408 CD ARG A 29 -0.011 0.879 -12.042 1.00 0.00 C ATOM 409 NE ARG A 29 -0.053 1.802 -13.173 1.00 0.00 N ATOM 410 CZ ARG A 29 -0.282 1.420 -14.425 1.00 0.00 C ATOM 411 NH1 ARG A 29 -0.490 0.141 -14.704 1.00 0.00 N ATOM 412 NH2 ARG A 29 -0.305 2.320 -15.400 1.00 0.00 N ATOM 0 H ARG A 29 -2.511 1.035 -7.278 1.00 0.00 H new ATOM 0 HA ARG A 29 0.323 0.706 -7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.534 -0.349 -9.855 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.981 0.639 -9.884 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.891 2.458 -10.883 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.693 1.956 -10.323 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.959 0.383 -12.015 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.763 0.102 -12.180 1.00 0.00 H new ATOM 0 HE ARG A 29 0.102 2.794 -12.992 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.475 -0.553 -13.957 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.666 -0.149 -15.666 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.147 3.305 -15.188 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.481 2.027 -16.361 1.00 0.00 H new ATOM 426 N TRP A 30 0.340 3.134 -7.447 1.00 0.00 N ATOM 427 CA TRP A 30 0.449 4.577 -7.260 1.00 0.00 C ATOM 428 C TRP A 30 1.691 5.123 -7.955 1.00 0.00 C ATOM 429 O TRP A 30 2.398 4.392 -8.648 1.00 0.00 O ATOM 430 CB TRP A 30 0.493 4.917 -5.769 1.00 0.00 C ATOM 431 CG TRP A 30 1.621 4.251 -5.041 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.827 4.804 -4.718 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.647 2.907 -4.547 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.602 3.884 -4.053 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.901 2.714 -3.935 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.734 1.850 -4.561 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.262 1.505 -3.344 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.093 0.652 -3.975 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.348 0.487 -3.372 1.00 0.00 C ATOM 0 H TRP A 30 1.088 2.594 -7.011 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.429 5.044 -7.706 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.582 5.997 -5.652 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.451 4.624 -5.309 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.128 5.815 -4.951 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.547 4.047 -3.704 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.236 1.967 -5.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.229 1.376 -2.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.395 -0.172 -3.981 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.598 -0.462 -2.921 1.00 0.00 H new ATOM 450 N GLY A 31 1.952 6.413 -7.766 1.00 0.00 N ATOM 451 CA GLY A 31 3.110 7.034 -8.381 1.00 0.00 C ATOM 452 C GLY A 31 3.787 8.035 -7.466 1.00 0.00 C ATOM 453 O GLY A 31 3.331 8.297 -6.353 1.00 0.00 O ATOM 0 H GLY A 31 1.382 7.039 -7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.826 6.262 -8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.805 7.535 -9.300 1.00 0.00 H new ATOM 457 N PRO A 32 4.903 8.611 -7.935 1.00 0.00 N ATOM 458 CA PRO A 32 5.669 9.597 -7.166 1.00 0.00 C ATOM 459 C PRO A 32 4.928 10.922 -7.021 1.00 0.00 C ATOM 460 O PRO A 32 4.318 11.425 -7.965 1.00 0.00 O ATOM 461 CB PRO A 32 6.941 9.783 -7.995 1.00 0.00 C ATOM 462 CG PRO A 32 6.544 9.424 -9.385 1.00 0.00 C ATOM 463 CD PRO A 32 5.504 8.346 -9.253 1.00 0.00 C ATOM 0 HA PRO A 32 5.855 9.263 -6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.303 10.810 -7.939 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.745 9.142 -7.635 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.144 10.290 -9.913 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.402 9.071 -9.957 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.764 8.402 -10.051 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.948 7.352 -9.300 1.00 0.00 H new ATOM 471 N PRO A 33 4.980 11.501 -5.813 1.00 0.00 N ATOM 472 CA PRO A 33 4.320 12.776 -5.517 1.00 0.00 C ATOM 473 C PRO A 33 4.991 13.953 -6.219 1.00 0.00 C ATOM 474 O PRO A 33 6.113 13.837 -6.713 1.00 0.00 O ATOM 475 CB PRO A 33 4.465 12.907 -3.999 1.00 0.00 C ATOM 476 CG PRO A 33 5.669 12.097 -3.662 1.00 0.00 C ATOM 477 CD PRO A 33 5.689 10.957 -4.643 1.00 0.00 C ATOM 0 HA PRO A 33 3.287 12.789 -5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.592 13.948 -3.702 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.580 12.534 -3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.577 12.696 -3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.618 11.729 -2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.707 10.660 -4.893 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.188 10.075 -4.244 1.00 0.00 H new ATOM 485 N LEU A 34 4.296 15.085 -6.260 1.00 0.00 N ATOM 486 CA LEU A 34 4.825 16.283 -6.902 1.00 0.00 C ATOM 487 C LEU A 34 5.798 17.011 -5.979 1.00 0.00 C ATOM 488 O LEU A 34 6.763 17.623 -6.436 1.00 0.00 O ATOM 489 CB LEU A 34 3.682 17.220 -7.297 1.00 0.00 C ATOM 490 CG LEU A 34 3.046 16.963 -8.663 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.106 15.769 -8.598 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.305 18.201 -9.149 1.00 0.00 C ATOM 0 H LEU A 34 3.366 15.198 -5.857 1.00 0.00 H new ATOM 0 HA LEU A 34 5.363 15.977 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.903 17.151 -6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.055 18.244 -7.279 1.00 0.00 H new ATOM 0 HG LEU A 34 3.840 16.737 -9.375 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.663 15.601 -9.579 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.664 14.883 -8.296 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.317 15.966 -7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.859 17.999 -10.123 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.521 18.459 -8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.004 19.033 -9.236 1.00 0.00 H new ATOM 504 N VAL A 35 5.538 16.937 -4.677 1.00 0.00 N ATOM 505 CA VAL A 35 6.392 17.586 -3.690 1.00 0.00 C ATOM 506 C VAL A 35 7.196 16.559 -2.899 1.00 0.00 C ATOM 507 O VAL A 35 6.729 16.036 -1.888 1.00 0.00 O ATOM 508 CB VAL A 35 5.568 18.441 -2.710 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.479 19.342 -1.890 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.530 19.261 -3.461 1.00 0.00 C ATOM 0 H VAL A 35 4.743 16.434 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 35 7.075 18.234 -4.240 1.00 0.00 H new ATOM 0 HB VAL A 35 5.045 17.774 -2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.878 19.939 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.180 18.730 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.032 20.004 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.957 19.859 -2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.031 19.920 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.858 18.592 -3.999 1.00 0.00 H new ATOM 520 N ASP A 36 8.406 16.276 -3.367 1.00 0.00 N ATOM 521 CA ASP A 36 9.277 15.313 -2.703 1.00 0.00 C ATOM 522 C ASP A 36 10.101 15.988 -1.611 1.00 0.00 C ATOM 523 O ASP A 36 11.182 15.519 -1.256 1.00 0.00 O ATOM 524 CB ASP A 36 10.204 14.645 -3.720 1.00 0.00 C ATOM 525 CG ASP A 36 11.136 15.635 -4.390 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.517 16.629 -3.737 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.486 15.415 -5.569 1.00 0.00 O ATOM 0 H ASP A 36 8.807 16.700 -4.204 1.00 0.00 H new ATOM 0 HA ASP A 36 8.649 14.551 -2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.793 13.876 -3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.604 14.143 -4.480 1.00 0.00 H new ATOM 532 N GLY A 37 9.584 17.093 -1.083 1.00 0.00 N ATOM 533 CA GLY A 37 10.286 17.815 -0.039 1.00 0.00 C ATOM 534 C GLY A 37 11.629 18.345 -0.501 1.00 0.00 C ATOM 535 O GLY A 37 12.539 18.535 0.303 1.00 0.00 O ATOM 0 H GLY A 37 8.691 17.501 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.669 18.646 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.434 17.157 0.817 1.00 0.00 H new ATOM 539 N GLY A 38 11.753 18.581 -1.804 1.00 0.00 N ATOM 540 CA GLY A 38 12.998 19.088 -2.350 1.00 0.00 C ATOM 541 C GLY A 38 14.001 17.985 -2.628 1.00 0.00 C ATOM 542 O GLY A 38 14.871 18.129 -3.486 1.00 0.00 O ATOM 0 H GLY A 38 11.014 18.430 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.792 19.629 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.433 19.803 -1.652 1.00 0.00 H new ATOM 546 N SER A 39 13.880 16.880 -1.898 1.00 0.00 N ATOM 547 CA SER A 39 14.786 15.750 -2.066 1.00 0.00 C ATOM 548 C SER A 39 14.101 14.611 -2.814 1.00 0.00 C ATOM 549 O SER A 39 12.881 14.456 -2.779 1.00 0.00 O ATOM 550 CB SER A 39 15.278 15.257 -0.703 1.00 0.00 C ATOM 551 OG SER A 39 16.496 15.886 -0.343 1.00 0.00 O ATOM 0 H SER A 39 13.164 16.744 -1.185 1.00 0.00 H new ATOM 0 HA SER A 39 15.641 16.085 -2.654 1.00 0.00 H new ATOM 0 HB2 SER A 39 14.522 15.460 0.055 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.418 14.176 -0.732 1.00 0.00 H new ATOM 0 HG SER A 39 17.240 15.446 -0.805 1.00 0.00 H new ATOM 557 N PRO A 40 14.906 13.794 -3.510 1.00 0.00 N ATOM 558 CA PRO A 40 14.400 12.654 -4.281 1.00 0.00 C ATOM 559 C PRO A 40 13.876 11.536 -3.387 1.00 0.00 C ATOM 560 O PRO A 40 14.609 10.994 -2.560 1.00 0.00 O ATOM 561 CB PRO A 40 15.629 12.182 -5.062 1.00 0.00 C ATOM 562 CG PRO A 40 16.792 12.630 -4.247 1.00 0.00 C ATOM 563 CD PRO A 40 16.370 13.919 -3.598 1.00 0.00 C ATOM 0 HA PRO A 40 13.556 12.931 -4.913 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.627 11.099 -5.187 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.654 12.618 -6.061 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.054 11.883 -3.498 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.673 12.778 -4.872 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.823 14.040 -2.614 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.664 14.784 -4.193 1.00 0.00 H new ATOM 571 N ILE A 41 12.602 11.196 -3.558 1.00 0.00 N ATOM 572 CA ILE A 41 11.981 10.142 -2.767 1.00 0.00 C ATOM 573 C ILE A 41 12.875 8.908 -2.696 1.00 0.00 C ATOM 574 O ILE A 41 13.331 8.400 -3.720 1.00 0.00 O ATOM 575 CB ILE A 41 10.612 9.737 -3.345 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.693 10.957 -3.440 1.00 0.00 C ATOM 577 CG2 ILE A 41 9.975 8.653 -2.488 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.329 11.546 -2.095 1.00 0.00 C ATOM 0 H ILE A 41 11.981 11.636 -4.237 1.00 0.00 H new ATOM 0 HA ILE A 41 11.839 10.543 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 41 10.761 9.339 -4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.181 11.723 -4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.779 10.674 -3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.008 8.377 -2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.624 7.778 -2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.836 9.026 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.676 12.407 -2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.813 10.795 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.236 11.861 -1.578 1.00 0.00 H new ATOM 590 N SER A 42 13.120 8.431 -1.480 1.00 0.00 N ATOM 591 CA SER A 42 13.961 7.257 -1.274 1.00 0.00 C ATOM 592 C SER A 42 13.120 5.985 -1.244 1.00 0.00 C ATOM 593 O SER A 42 13.425 5.010 -1.932 1.00 0.00 O ATOM 594 CB SER A 42 14.750 7.391 0.029 1.00 0.00 C ATOM 595 OG SER A 42 15.534 6.236 0.272 1.00 0.00 O ATOM 0 H SER A 42 12.748 8.839 -0.622 1.00 0.00 H new ATOM 0 HA SER A 42 14.660 7.190 -2.108 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.395 8.268 -0.022 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.062 7.549 0.860 1.00 0.00 H new ATOM 0 HG SER A 42 16.030 6.348 1.110 1.00 0.00 H new ATOM 601 N CYS A 43 12.061 6.002 -0.443 1.00 0.00 N ATOM 602 CA CYS A 43 11.175 4.849 -0.321 1.00 0.00 C ATOM 603 C CYS A 43 9.772 5.283 0.091 1.00 0.00 C ATOM 604 O CYS A 43 9.597 6.308 0.751 1.00 0.00 O ATOM 605 CB CYS A 43 11.734 3.855 0.698 1.00 0.00 C ATOM 606 SG CYS A 43 13.012 2.761 0.036 1.00 0.00 S ATOM 0 H CYS A 43 11.794 6.801 0.132 1.00 0.00 H new ATOM 0 HA CYS A 43 11.115 4.364 -1.295 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.146 4.409 1.542 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.915 3.248 1.084 1.00 0.00 H new ATOM 0 HG CYS A 43 13.587 3.331 -0.981 1.00 0.00 H new ATOM 612 N TYR A 44 8.776 4.498 -0.303 1.00 0.00 N ATOM 613 CA TYR A 44 7.388 4.803 0.022 1.00 0.00 C ATOM 614 C TYR A 44 6.851 3.841 1.077 1.00 0.00 C ATOM 615 O TYR A 44 7.555 2.935 1.523 1.00 0.00 O ATOM 616 CB TYR A 44 6.520 4.733 -1.236 1.00 0.00 C ATOM 617 CG TYR A 44 6.887 5.761 -2.282 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.416 7.065 -2.198 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.705 5.428 -3.355 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.748 8.007 -3.153 1.00 0.00 C ATOM 621 CE2 TYR A 44 8.044 6.364 -4.313 1.00 0.00 C ATOM 622 CZ TYR A 44 7.562 7.652 -4.208 1.00 0.00 C ATOM 623 OH TYR A 44 7.896 8.588 -5.159 1.00 0.00 O ATOM 0 H TYR A 44 8.904 3.645 -0.848 1.00 0.00 H new ATOM 0 HA TYR A 44 7.351 5.815 0.426 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.605 3.737 -1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.476 4.870 -0.955 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.780 7.347 -1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.082 4.420 -3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.372 9.016 -3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.683 6.089 -5.139 1.00 0.00 H new ATOM 0 HH TYR A 44 8.476 8.177 -5.833 1.00 0.00 H new ATOM 633 N SER A 45 5.598 4.044 1.472 1.00 0.00 N ATOM 634 CA SER A 45 4.966 3.198 2.477 1.00 0.00 C ATOM 635 C SER A 45 3.446 3.259 2.361 1.00 0.00 C ATOM 636 O SER A 45 2.860 4.340 2.294 1.00 0.00 O ATOM 637 CB SER A 45 5.400 3.626 3.881 1.00 0.00 C ATOM 638 OG SER A 45 4.838 2.780 4.868 1.00 0.00 O ATOM 0 H SER A 45 5.000 4.788 1.111 1.00 0.00 H new ATOM 0 HA SER A 45 5.285 2.170 2.304 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.487 3.601 3.952 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.092 4.656 4.062 1.00 0.00 H new ATOM 0 HG SER A 45 5.132 3.073 5.756 1.00 0.00 H new ATOM 644 N VAL A 46 2.813 2.090 2.338 1.00 0.00 N ATOM 645 CA VAL A 46 1.361 2.009 2.232 1.00 0.00 C ATOM 646 C VAL A 46 0.740 1.530 3.539 1.00 0.00 C ATOM 647 O VAL A 46 0.928 0.382 3.942 1.00 0.00 O ATOM 648 CB VAL A 46 0.934 1.062 1.095 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.577 1.086 0.919 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.636 1.436 -0.202 1.00 0.00 C ATOM 0 H VAL A 46 3.283 1.186 2.391 1.00 0.00 H new ATOM 0 HA VAL A 46 1.003 3.015 2.011 1.00 0.00 H new ATOM 0 HB VAL A 46 1.229 0.047 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.860 0.411 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.056 0.766 1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.899 2.098 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.322 0.756 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.374 2.458 -0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.715 1.362 -0.066 1.00 0.00 H new ATOM 660 N GLU A 47 0.000 2.416 4.196 1.00 0.00 N ATOM 661 CA GLU A 47 -0.649 2.083 5.459 1.00 0.00 C ATOM 662 C GLU A 47 -2.144 1.851 5.258 1.00 0.00 C ATOM 663 O GLU A 47 -2.929 2.797 5.216 1.00 0.00 O ATOM 664 CB GLU A 47 -0.428 3.198 6.482 1.00 0.00 C ATOM 665 CG GLU A 47 -0.958 2.868 7.867 1.00 0.00 C ATOM 666 CD GLU A 47 -0.711 3.981 8.867 1.00 0.00 C ATOM 667 OE1 GLU A 47 0.396 4.027 9.444 1.00 0.00 O ATOM 668 OE2 GLU A 47 -1.626 4.806 9.073 1.00 0.00 O ATOM 0 H GLU A 47 -0.166 3.370 3.875 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.203 1.162 5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.639 3.409 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.911 4.108 6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.028 2.671 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.486 1.953 8.224 1.00 0.00 H new ATOM 675 N MET A 48 -2.529 0.585 5.134 1.00 0.00 N ATOM 676 CA MET A 48 -3.929 0.228 4.938 1.00 0.00 C ATOM 677 C MET A 48 -4.619 -0.023 6.275 1.00 0.00 C ATOM 678 O MET A 48 -4.003 -0.522 7.217 1.00 0.00 O ATOM 679 CB MET A 48 -4.042 -1.013 4.051 1.00 0.00 C ATOM 680 CG MET A 48 -5.454 -1.571 3.963 1.00 0.00 C ATOM 681 SD MET A 48 -5.481 -3.341 3.619 1.00 0.00 S ATOM 682 CE MET A 48 -5.255 -4.009 5.265 1.00 0.00 C ATOM 0 H MET A 48 -1.891 -0.210 5.166 1.00 0.00 H new ATOM 0 HA MET A 48 -4.425 1.064 4.445 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.695 -0.765 3.048 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.378 -1.787 4.436 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.975 -1.379 4.901 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.001 -1.044 3.181 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.431 -4.723 5.258 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.027 -3.199 5.958 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.169 -4.512 5.582 1.00 0.00 H new ATOM 692 N SER A 49 -5.899 0.326 6.351 1.00 0.00 N ATOM 693 CA SER A 49 -6.670 0.142 7.575 1.00 0.00 C ATOM 694 C SER A 49 -8.139 -0.123 7.256 1.00 0.00 C ATOM 695 O SER A 49 -8.728 0.491 6.367 1.00 0.00 O ATOM 696 CB SER A 49 -6.545 1.374 8.472 1.00 0.00 C ATOM 697 OG SER A 49 -7.543 2.333 8.164 1.00 0.00 O ATOM 0 H SER A 49 -6.424 0.738 5.580 1.00 0.00 H new ATOM 0 HA SER A 49 -6.268 -0.723 8.102 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.632 1.077 9.517 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.558 1.819 8.348 1.00 0.00 H new ATOM 0 HG SER A 49 -7.574 2.473 7.195 1.00 0.00 H new ATOM 703 N PRO A 50 -8.745 -1.060 8.000 1.00 0.00 N ATOM 704 CA PRO A 50 -10.152 -1.428 7.817 1.00 0.00 C ATOM 705 C PRO A 50 -11.103 -0.321 8.260 1.00 0.00 C ATOM 706 O PRO A 50 -11.285 -0.088 9.456 1.00 0.00 O ATOM 707 CB PRO A 50 -10.315 -2.661 8.709 1.00 0.00 C ATOM 708 CG PRO A 50 -9.261 -2.517 9.751 1.00 0.00 C ATOM 709 CD PRO A 50 -8.104 -1.832 9.078 1.00 0.00 C ATOM 0 HA PRO A 50 -10.393 -1.608 6.769 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.309 -2.699 9.154 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.186 -3.581 8.140 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.624 -1.931 10.595 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.964 -3.490 10.143 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.563 -1.185 9.769 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.385 -2.551 8.685 1.00 0.00 H new ATOM 717 N ILE A 51 -11.707 0.357 7.290 1.00 0.00 N ATOM 718 CA ILE A 51 -12.641 1.438 7.581 1.00 0.00 C ATOM 719 C ILE A 51 -13.485 1.119 8.810 1.00 0.00 C ATOM 720 O ILE A 51 -13.752 1.993 9.635 1.00 0.00 O ATOM 721 CB ILE A 51 -13.574 1.712 6.388 1.00 0.00 C ATOM 722 CG1 ILE A 51 -14.866 2.379 6.866 1.00 0.00 C ATOM 723 CG2 ILE A 51 -13.882 0.419 5.648 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.546 3.212 5.801 1.00 0.00 C ATOM 0 H ILE A 51 -11.566 0.177 6.296 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.043 2.328 7.775 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.070 2.390 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.557 1.609 7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.642 3.013 7.724 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.543 0.630 4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.954 -0.019 5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.370 -0.281 6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.454 3.654 6.210 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.873 4.004 5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.801 2.579 4.952 1.00 0.00 H new ATOM 736 N GLU A 52 -13.900 -0.138 8.927 1.00 0.00 N ATOM 737 CA GLU A 52 -14.713 -0.572 10.057 1.00 0.00 C ATOM 738 C GLU A 52 -14.035 -0.228 11.379 1.00 0.00 C ATOM 739 O GLU A 52 -14.670 0.282 12.302 1.00 0.00 O ATOM 740 CB GLU A 52 -14.970 -2.079 9.980 1.00 0.00 C ATOM 741 CG GLU A 52 -13.712 -2.900 9.753 1.00 0.00 C ATOM 742 CD GLU A 52 -13.980 -4.393 9.764 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.831 -4.838 10.561 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.337 -5.116 8.973 1.00 0.00 O ATOM 0 H GLU A 52 -13.687 -0.874 8.253 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.666 -0.045 10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.445 -2.406 10.905 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.674 -2.278 9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.268 -2.621 8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.982 -2.660 10.526 1.00 0.00 H new ATOM 751 N LYS A 53 -12.739 -0.511 11.464 1.00 0.00 N ATOM 752 CA LYS A 53 -11.972 -0.231 12.672 1.00 0.00 C ATOM 753 C LYS A 53 -10.667 0.484 12.336 1.00 0.00 C ATOM 754 O LYS A 53 -9.940 0.074 11.431 1.00 0.00 O ATOM 755 CB LYS A 53 -11.675 -1.530 13.424 1.00 0.00 C ATOM 756 CG LYS A 53 -10.892 -2.542 12.605 1.00 0.00 C ATOM 757 CD LYS A 53 -10.977 -3.934 13.208 1.00 0.00 C ATOM 758 CE LYS A 53 -10.107 -4.924 12.450 1.00 0.00 C ATOM 759 NZ LYS A 53 -8.680 -4.843 12.868 1.00 0.00 N ATOM 0 H LYS A 53 -12.198 -0.934 10.710 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.569 0.422 13.308 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.114 -1.296 14.329 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.616 -1.981 13.739 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.277 -2.562 11.585 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.848 -2.234 12.545 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.665 -3.899 14.252 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.012 -4.274 13.196 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.477 -5.935 12.618 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.184 -4.730 11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.203 -5.741 12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.212 -4.068 12.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.628 -4.663 13.891 1.00 0.00 H new ATOM 773 N ASP A 54 -10.377 1.552 13.069 1.00 0.00 N ATOM 774 CA ASP A 54 -9.158 2.322 12.850 1.00 0.00 C ATOM 775 C ASP A 54 -7.927 1.516 13.249 1.00 0.00 C ATOM 776 O ASP A 54 -7.278 1.813 14.252 1.00 0.00 O ATOM 777 CB ASP A 54 -9.206 3.630 13.642 1.00 0.00 C ATOM 778 CG ASP A 54 -8.294 4.692 13.061 1.00 0.00 C ATOM 779 OD1 ASP A 54 -7.251 4.326 12.479 1.00 0.00 O ATOM 780 OD2 ASP A 54 -8.622 5.890 13.189 1.00 0.00 O ATOM 0 H ASP A 54 -10.969 1.905 13.821 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.090 2.553 11.787 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.230 4.004 13.659 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.921 3.436 14.676 1.00 0.00 H new ATOM 785 N GLU A 55 -7.612 0.495 12.458 1.00 0.00 N ATOM 786 CA GLU A 55 -6.459 -0.355 12.731 1.00 0.00 C ATOM 787 C GLU A 55 -5.474 -0.327 11.566 1.00 0.00 C ATOM 788 O GLU A 55 -5.323 -1.298 10.824 1.00 0.00 O ATOM 789 CB GLU A 55 -6.909 -1.793 12.998 1.00 0.00 C ATOM 790 CG GLU A 55 -6.007 -2.543 13.964 1.00 0.00 C ATOM 791 CD GLU A 55 -4.888 -3.285 13.259 1.00 0.00 C ATOM 792 OE1 GLU A 55 -4.025 -2.617 12.652 1.00 0.00 O ATOM 793 OE2 GLU A 55 -4.875 -4.533 13.315 1.00 0.00 O ATOM 0 H GLU A 55 -8.139 0.237 11.624 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.957 0.032 13.618 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.923 -1.779 13.397 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.946 -2.335 12.053 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.578 -1.838 14.677 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.604 -3.252 14.537 1.00 0.00 H new ATOM 800 N PRO A 56 -4.787 0.813 11.400 1.00 0.00 N ATOM 801 CA PRO A 56 -3.805 0.996 10.327 1.00 0.00 C ATOM 802 C PRO A 56 -2.550 0.157 10.540 1.00 0.00 C ATOM 803 O PRO A 56 -2.174 -0.137 11.675 1.00 0.00 O ATOM 804 CB PRO A 56 -3.469 2.488 10.404 1.00 0.00 C ATOM 805 CG PRO A 56 -3.759 2.869 11.815 1.00 0.00 C ATOM 806 CD PRO A 56 -4.916 2.011 12.246 1.00 0.00 C ATOM 0 HA PRO A 56 -4.196 0.682 9.359 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.425 2.672 10.151 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.073 3.067 9.705 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.890 2.701 12.451 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.009 3.927 11.890 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.859 1.762 13.306 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.870 2.514 12.088 1.00 0.00 H new ATOM 814 N ARG A 57 -1.906 -0.226 9.443 1.00 0.00 N ATOM 815 CA ARG A 57 -0.693 -1.033 9.510 1.00 0.00 C ATOM 816 C ARG A 57 0.058 -0.997 8.183 1.00 0.00 C ATOM 817 O ARG A 57 -0.552 -0.967 7.115 1.00 0.00 O ATOM 818 CB ARG A 57 -1.037 -2.478 9.876 1.00 0.00 C ATOM 819 CG ARG A 57 -1.671 -3.260 8.737 1.00 0.00 C ATOM 820 CD ARG A 57 -3.166 -2.996 8.645 1.00 0.00 C ATOM 821 NE ARG A 57 -3.925 -3.815 9.586 1.00 0.00 N ATOM 822 CZ ARG A 57 -4.059 -5.132 9.472 1.00 0.00 C ATOM 823 NH1 ARG A 57 -3.488 -5.775 8.463 1.00 0.00 N ATOM 824 NH2 ARG A 57 -4.766 -5.808 10.369 1.00 0.00 N ATOM 0 H ARG A 57 -2.204 0.009 8.496 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.049 -0.613 10.283 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.129 -2.989 10.195 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.718 -2.476 10.727 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.193 -2.986 7.796 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.497 -4.326 8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.361 -1.942 8.843 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.508 -3.199 7.630 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.377 -3.351 10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.944 -5.259 7.772 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.593 -6.786 8.378 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.207 -5.317 11.146 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.868 -6.819 10.281 1.00 0.00 H new ATOM 838 N GLU A 58 1.385 -0.999 8.260 1.00 0.00 N ATOM 839 CA GLU A 58 2.219 -0.966 7.064 1.00 0.00 C ATOM 840 C GLU A 58 2.154 -2.296 6.318 1.00 0.00 C ATOM 841 O GLU A 58 2.833 -3.257 6.679 1.00 0.00 O ATOM 842 CB GLU A 58 3.669 -0.648 7.435 1.00 0.00 C ATOM 843 CG GLU A 58 4.652 -0.877 6.299 1.00 0.00 C ATOM 844 CD GLU A 58 6.091 -0.927 6.775 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.573 0.092 7.313 1.00 0.00 O ATOM 846 OE2 GLU A 58 6.735 -1.984 6.609 1.00 0.00 O ATOM 0 H GLU A 58 1.905 -1.023 9.137 1.00 0.00 H new ATOM 0 HA GLU A 58 1.838 -0.182 6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.733 0.392 7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.961 -1.263 8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.407 -1.812 5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.544 -0.080 5.563 1.00 0.00 H new ATOM 853 N VAL A 59 1.331 -2.343 5.275 1.00 0.00 N ATOM 854 CA VAL A 59 1.176 -3.553 4.477 1.00 0.00 C ATOM 855 C VAL A 59 2.213 -3.612 3.361 1.00 0.00 C ATOM 856 O VAL A 59 2.376 -4.640 2.704 1.00 0.00 O ATOM 857 CB VAL A 59 -0.232 -3.642 3.860 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.282 -3.818 4.947 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.524 -2.408 3.020 1.00 0.00 C ATOM 0 H VAL A 59 0.761 -1.557 4.963 1.00 0.00 H new ATOM 0 HA VAL A 59 1.323 -4.397 5.151 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.269 -4.515 3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.270 -3.879 4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.081 -4.734 5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.248 -2.967 5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.523 -2.488 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.468 -1.519 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.210 -2.332 2.218 1.00 0.00 H new ATOM 869 N TYR A 60 2.912 -2.502 3.152 1.00 0.00 N ATOM 870 CA TYR A 60 3.933 -2.426 2.113 1.00 0.00 C ATOM 871 C TYR A 60 4.966 -1.353 2.443 1.00 0.00 C ATOM 872 O TYR A 60 4.678 -0.401 3.168 1.00 0.00 O ATOM 873 CB TYR A 60 3.289 -2.130 0.757 1.00 0.00 C ATOM 874 CG TYR A 60 4.273 -2.123 -0.391 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.685 -3.310 -0.986 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.792 -0.931 -0.880 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.584 -3.308 -2.035 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.690 -0.920 -1.929 1.00 0.00 C ATOM 879 CZ TYR A 60 6.084 -2.111 -2.503 1.00 0.00 C ATOM 880 OH TYR A 60 6.979 -2.105 -3.547 1.00 0.00 O ATOM 0 H TYR A 60 2.791 -1.643 3.688 1.00 0.00 H new ATOM 0 HA TYR A 60 4.439 -3.390 2.065 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.518 -2.875 0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.791 -1.161 0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.296 -4.249 -0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.488 0.003 -0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.894 -4.239 -2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.082 0.016 -2.298 1.00 0.00 H new ATOM 0 HH TYR A 60 6.492 -2.155 -4.396 1.00 0.00 H new ATOM 890 N GLN A 61 6.170 -1.516 1.904 1.00 0.00 N ATOM 891 CA GLN A 61 7.247 -0.562 2.141 1.00 0.00 C ATOM 892 C GLN A 61 8.454 -0.875 1.263 1.00 0.00 C ATOM 893 O GLN A 61 9.050 -1.946 1.368 1.00 0.00 O ATOM 894 CB GLN A 61 7.656 -0.577 3.614 1.00 0.00 C ATOM 895 CG GLN A 61 8.641 0.521 3.984 1.00 0.00 C ATOM 896 CD GLN A 61 8.851 0.636 5.481 1.00 0.00 C ATOM 897 OE1 GLN A 61 9.623 -0.121 6.071 1.00 0.00 O ATOM 898 NE2 GLN A 61 8.165 1.587 6.104 1.00 0.00 N ATOM 0 H GLN A 61 6.424 -2.299 1.301 1.00 0.00 H new ATOM 0 HA GLN A 61 6.881 0.432 1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.763 -0.476 4.231 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.098 -1.545 3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.598 0.323 3.501 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.279 1.474 3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.536 2.192 5.575 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.267 1.713 7.111 1.00 0.00 H new ATOM 907 N GLY A 62 8.810 0.068 0.395 1.00 0.00 N ATOM 908 CA GLY A 62 9.944 -0.127 -0.489 1.00 0.00 C ATOM 909 C GLY A 62 10.247 1.102 -1.323 1.00 0.00 C ATOM 910 O GLY A 62 10.058 2.230 -0.869 1.00 0.00 O ATOM 0 H GLY A 62 8.333 0.963 0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.822 -0.386 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.745 -0.971 -1.150 1.00 0.00 H new ATOM 914 N SER A 63 10.721 0.884 -2.546 1.00 0.00 N ATOM 915 CA SER A 63 11.056 1.983 -3.443 1.00 0.00 C ATOM 916 C SER A 63 10.052 2.076 -4.588 1.00 0.00 C ATOM 917 O SER A 63 9.799 3.156 -5.119 1.00 0.00 O ATOM 918 CB SER A 63 12.468 1.800 -4.002 1.00 0.00 C ATOM 919 OG SER A 63 12.664 2.590 -5.163 1.00 0.00 O ATOM 0 H SER A 63 10.881 -0.044 -2.938 1.00 0.00 H new ATOM 0 HA SER A 63 11.016 2.910 -2.872 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.201 2.075 -3.244 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.635 0.750 -4.241 1.00 0.00 H new ATOM 0 HG SER A 63 13.575 2.456 -5.500 1.00 0.00 H new ATOM 925 N GLU A 64 9.482 0.934 -4.961 1.00 0.00 N ATOM 926 CA GLU A 64 8.506 0.886 -6.043 1.00 0.00 C ATOM 927 C GLU A 64 7.261 1.695 -5.689 1.00 0.00 C ATOM 928 O GLU A 64 7.138 2.211 -4.579 1.00 0.00 O ATOM 929 CB GLU A 64 8.118 -0.563 -6.346 1.00 0.00 C ATOM 930 CG GLU A 64 9.008 -1.229 -7.381 1.00 0.00 C ATOM 931 CD GLU A 64 8.298 -2.334 -8.138 1.00 0.00 C ATOM 932 OE1 GLU A 64 7.555 -2.019 -9.090 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.486 -3.515 -7.777 1.00 0.00 O ATOM 0 H GLU A 64 9.679 0.031 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 64 8.963 1.325 -6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.155 -1.141 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.086 -0.588 -6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.361 -0.478 -8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.888 -1.640 -6.887 1.00 0.00 H new ATOM 940 N VAL A 65 6.341 1.801 -6.643 1.00 0.00 N ATOM 941 CA VAL A 65 5.105 2.546 -6.433 1.00 0.00 C ATOM 942 C VAL A 65 3.885 1.651 -6.620 1.00 0.00 C ATOM 943 O VAL A 65 2.786 2.133 -6.889 1.00 0.00 O ATOM 944 CB VAL A 65 5.002 3.744 -7.395 1.00 0.00 C ATOM 945 CG1 VAL A 65 6.165 4.701 -7.183 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.950 3.265 -8.838 1.00 0.00 C ATOM 0 H VAL A 65 6.428 1.381 -7.568 1.00 0.00 H new ATOM 0 HA VAL A 65 5.128 2.914 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 65 4.078 4.281 -7.181 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.075 5.541 -7.872 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.151 5.069 -6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.104 4.179 -7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.877 4.125 -9.504 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.855 2.703 -9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.080 2.623 -8.977 1.00 0.00 H new ATOM 956 N GLU A 66 4.089 0.345 -6.477 1.00 0.00 N ATOM 957 CA GLU A 66 3.004 -0.618 -6.631 1.00 0.00 C ATOM 958 C GLU A 66 3.275 -1.878 -5.813 1.00 0.00 C ATOM 959 O GLU A 66 4.424 -2.287 -5.646 1.00 0.00 O ATOM 960 CB GLU A 66 2.822 -0.983 -8.106 1.00 0.00 C ATOM 961 CG GLU A 66 3.160 0.151 -9.059 1.00 0.00 C ATOM 962 CD GLU A 66 3.219 -0.301 -10.505 1.00 0.00 C ATOM 963 OE1 GLU A 66 2.570 -1.316 -10.836 1.00 0.00 O ATOM 964 OE2 GLU A 66 3.914 0.359 -11.306 1.00 0.00 O ATOM 0 H GLU A 66 4.994 -0.070 -6.255 1.00 0.00 H new ATOM 0 HA GLU A 66 2.088 -0.157 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.451 -1.842 -8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.789 -1.290 -8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.414 0.939 -8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.120 0.583 -8.778 1.00 0.00 H new ATOM 971 N CYS A 67 2.208 -2.487 -5.306 1.00 0.00 N ATOM 972 CA CYS A 67 2.330 -3.699 -4.505 1.00 0.00 C ATOM 973 C CYS A 67 0.991 -4.424 -4.409 1.00 0.00 C ATOM 974 O CYS A 67 -0.011 -3.976 -4.967 1.00 0.00 O ATOM 975 CB CYS A 67 2.841 -3.360 -3.104 1.00 0.00 C ATOM 976 SG CYS A 67 1.570 -2.721 -1.988 1.00 0.00 S ATOM 0 H CYS A 67 1.250 -2.161 -5.436 1.00 0.00 H new ATOM 0 HA CYS A 67 3.046 -4.359 -4.995 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.280 -4.255 -2.663 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.639 -2.622 -3.189 1.00 0.00 H new ATOM 0 HG CYS A 67 1.213 -1.531 -2.372 1.00 0.00 H new ATOM 982 N THR A 68 0.982 -5.547 -3.698 1.00 0.00 N ATOM 983 CA THR A 68 -0.233 -6.336 -3.532 1.00 0.00 C ATOM 984 C THR A 68 -0.501 -6.628 -2.060 1.00 0.00 C ATOM 985 O THR A 68 0.363 -7.144 -1.351 1.00 0.00 O ATOM 986 CB THR A 68 -0.147 -7.668 -4.300 1.00 0.00 C ATOM 987 OG1 THR A 68 -0.032 -7.417 -5.705 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.374 -8.527 -4.032 1.00 0.00 C ATOM 0 H THR A 68 1.802 -5.931 -3.228 1.00 0.00 H new ATOM 0 HA THR A 68 -1.053 -5.743 -3.938 1.00 0.00 H new ATOM 0 HB THR A 68 0.736 -8.205 -3.954 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.024 -8.269 -6.186 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.291 -9.463 -4.585 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.443 -8.741 -2.965 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.269 -7.994 -4.353 1.00 0.00 H new ATOM 996 N VAL A 69 -1.705 -6.295 -1.605 1.00 0.00 N ATOM 997 CA VAL A 69 -2.088 -6.523 -0.217 1.00 0.00 C ATOM 998 C VAL A 69 -2.720 -7.899 -0.040 1.00 0.00 C ATOM 999 O VAL A 69 -3.197 -8.502 -1.001 1.00 0.00 O ATOM 1000 CB VAL A 69 -3.075 -5.449 0.277 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -3.174 -5.471 1.795 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.657 -4.073 -0.218 1.00 0.00 C ATOM 0 H VAL A 69 -2.432 -5.866 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.175 -6.467 0.376 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.061 -5.673 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.876 -4.705 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.524 -6.450 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.193 -5.274 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.366 -3.327 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.661 -3.838 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.644 -4.067 -1.308 1.00 0.00 H new ATOM 1012 N SER A 70 -2.720 -8.390 1.195 1.00 0.00 N ATOM 1013 CA SER A 70 -3.290 -9.697 1.498 1.00 0.00 C ATOM 1014 C SER A 70 -3.700 -9.785 2.965 1.00 0.00 C ATOM 1015 O SER A 70 -3.431 -8.876 3.751 1.00 0.00 O ATOM 1016 CB SER A 70 -2.286 -10.804 1.170 1.00 0.00 C ATOM 1017 OG SER A 70 -1.400 -11.026 2.253 1.00 0.00 O ATOM 0 H SER A 70 -2.331 -7.902 2.002 1.00 0.00 H new ATOM 0 HA SER A 70 -4.179 -9.829 0.882 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.819 -11.726 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.717 -10.532 0.281 1.00 0.00 H new ATOM 0 HG SER A 70 -0.770 -11.739 2.019 1.00 0.00 H new ATOM 1023 N SER A 71 -4.351 -10.885 3.327 1.00 0.00 N ATOM 1024 CA SER A 71 -4.802 -11.091 4.698 1.00 0.00 C ATOM 1025 C SER A 71 -5.994 -10.195 5.019 1.00 0.00 C ATOM 1026 O SER A 71 -6.128 -9.696 6.137 1.00 0.00 O ATOM 1027 CB SER A 71 -3.662 -10.813 5.679 1.00 0.00 C ATOM 1028 OG SER A 71 -3.816 -11.567 6.869 1.00 0.00 O ATOM 0 H SER A 71 -4.578 -11.648 2.689 1.00 0.00 H new ATOM 0 HA SER A 71 -5.114 -12.130 4.799 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.708 -11.057 5.211 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.636 -9.750 5.919 1.00 0.00 H new ATOM 0 HG SER A 71 -3.074 -11.372 7.478 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.858 -9.993 4.030 1.00 0.00 N ATOM 1035 CA LEU A 72 -8.040 -9.157 4.204 1.00 0.00 C ATOM 1036 C LEU A 72 -9.312 -9.998 4.172 1.00 0.00 C ATOM 1037 O LEU A 72 -9.259 -11.216 3.997 1.00 0.00 O ATOM 1038 CB LEU A 72 -8.096 -8.085 3.115 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.748 -7.597 2.583 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.927 -6.873 1.257 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -6.069 -6.691 3.600 1.00 0.00 C ATOM 0 H LEU A 72 -6.762 -10.397 3.099 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.971 -8.673 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.674 -8.476 2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.642 -7.226 3.506 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.110 -8.465 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.957 -6.533 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.369 -7.552 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.583 -6.014 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.111 -6.353 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.704 -5.828 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.905 -7.242 4.526 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.454 -9.341 4.339 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.741 -10.028 4.326 1.00 0.00 C ATOM 1055 C LEU A 73 -12.562 -9.623 3.106 1.00 0.00 C ATOM 1056 O LEU A 73 -12.646 -8.448 2.746 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.520 -9.717 5.606 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.835 -10.102 6.918 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.590 -9.522 8.104 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.729 -11.615 7.040 1.00 0.00 C ATOM 0 H LEU A 73 -10.515 -8.333 4.485 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.553 -11.100 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.730 -8.648 5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.481 -10.230 5.557 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.828 -9.686 6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.088 -9.806 9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.614 -8.435 8.024 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.609 -9.908 8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.239 -11.871 7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.727 -12.052 7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.145 -12.007 6.208 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.186 -10.616 2.456 1.00 0.00 N ATOM 1073 CA PRO A 74 -14.015 -10.387 1.269 1.00 0.00 C ATOM 1074 C PRO A 74 -15.312 -9.658 1.599 1.00 0.00 C ATOM 1075 O PRO A 74 -15.815 -9.741 2.719 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.310 -11.802 0.764 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.195 -12.667 1.972 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.131 -12.039 2.830 1.00 0.00 C ATOM 0 HA PRO A 74 -13.513 -9.754 0.537 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.305 -11.866 0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.601 -12.103 -0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.144 -12.722 2.505 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.924 -13.687 1.698 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.334 -12.184 3.891 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.149 -12.469 2.631 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.850 -8.941 0.616 1.00 0.00 N ATOM 1087 CA GLY A 75 -17.085 -8.208 0.823 1.00 0.00 C ATOM 1088 C GLY A 75 -16.956 -7.149 1.900 1.00 0.00 C ATOM 1089 O GLY A 75 -17.941 -6.783 2.542 1.00 0.00 O ATOM 0 H GLY A 75 -15.452 -8.855 -0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.385 -7.736 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.877 -8.906 1.096 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.739 -6.656 2.100 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.484 -5.632 3.107 1.00 0.00 C ATOM 1095 C LYS A 76 -14.640 -4.500 2.531 1.00 0.00 C ATOM 1096 O LYS A 76 -13.841 -4.710 1.617 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.776 -6.245 4.318 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.617 -7.269 5.061 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.648 -6.601 5.956 1.00 0.00 C ATOM 1100 CE LYS A 76 -16.078 -6.302 7.334 1.00 0.00 C ATOM 1101 NZ LYS A 76 -17.150 -6.000 8.323 1.00 0.00 N ATOM 0 H LYS A 76 -14.913 -6.949 1.578 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.443 -5.221 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.852 -6.718 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.497 -5.448 5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.122 -7.916 4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.969 -7.905 5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.988 -5.675 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.520 -7.248 6.054 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.495 -7.156 7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.395 -5.455 7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.722 -5.802 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.690 -5.170 8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.788 -6.818 8.404 1.00 0.00 H new ATOM 1115 N THR A 77 -14.821 -3.299 3.071 1.00 0.00 N ATOM 1116 CA THR A 77 -14.076 -2.134 2.611 1.00 0.00 C ATOM 1117 C THR A 77 -12.846 -1.889 3.478 1.00 0.00 C ATOM 1118 O THR A 77 -12.805 -2.292 4.641 1.00 0.00 O ATOM 1119 CB THR A 77 -14.953 -0.868 2.615 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.151 -1.100 1.866 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.200 0.315 2.025 1.00 0.00 C ATOM 0 H THR A 77 -15.478 -3.108 3.828 1.00 0.00 H new ATOM 0 HA THR A 77 -13.760 -2.345 1.589 1.00 0.00 H new ATOM 0 HB THR A 77 -15.210 -0.634 3.648 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.704 -0.291 1.875 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.840 1.197 2.039 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.304 0.507 2.616 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.915 0.089 0.997 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.847 -1.228 2.906 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.615 -0.931 3.628 1.00 0.00 C ATOM 1131 C TYR A 78 -10.023 0.399 3.171 1.00 0.00 C ATOM 1132 O TYR A 78 -9.857 0.640 1.975 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.596 -2.053 3.422 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.866 -3.278 4.265 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.911 -4.140 3.959 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.074 -3.574 5.369 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.162 -5.261 4.727 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.317 -4.693 6.142 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.362 -5.533 5.817 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.608 -6.649 6.585 1.00 0.00 O ATOM 0 H TYR A 78 -11.865 -0.887 1.945 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.854 -0.856 4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.591 -2.340 2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.600 -1.675 3.654 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.539 -3.930 3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.255 -2.918 5.626 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.980 -5.920 4.475 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.692 -4.909 6.996 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.954 -6.696 7.313 1.00 0.00 H new ATOM 1150 N SER A 79 -9.705 1.259 4.133 1.00 0.00 N ATOM 1151 CA SER A 79 -9.134 2.567 3.831 1.00 0.00 C ATOM 1152 C SER A 79 -7.622 2.471 3.653 1.00 0.00 C ATOM 1153 O SER A 79 -6.888 2.205 4.605 1.00 0.00 O ATOM 1154 CB SER A 79 -9.466 3.561 4.946 1.00 0.00 C ATOM 1155 OG SER A 79 -8.477 3.536 5.962 1.00 0.00 O ATOM 0 H SER A 79 -9.833 1.074 5.128 1.00 0.00 H new ATOM 0 HA SER A 79 -9.571 2.921 2.897 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.541 4.566 4.531 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.439 3.320 5.375 1.00 0.00 H new ATOM 0 HG SER A 79 -7.587 3.505 5.552 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.163 2.690 2.425 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.738 2.628 2.119 1.00 0.00 C ATOM 1163 C PHE A 80 -5.135 4.028 2.050 1.00 0.00 C ATOM 1164 O PHE A 80 -5.822 4.995 1.722 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.511 1.896 0.795 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.913 0.450 0.832 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.248 0.086 0.762 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.956 -0.547 0.937 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.621 -1.244 0.797 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.323 -1.879 0.972 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.658 -2.228 0.901 1.00 0.00 C ATOM 0 H PHE A 80 -7.757 2.912 1.626 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.243 2.078 2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.073 2.401 0.009 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.457 1.965 0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -8.006 0.851 0.679 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.911 -0.280 0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.665 -1.514 0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.567 -2.646 1.055 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.948 -3.268 0.927 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.847 4.127 2.362 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.151 5.408 2.337 1.00 0.00 C ATOM 1183 C ARG A 81 -1.786 5.272 1.669 1.00 0.00 C ATOM 1184 O ARG A 81 -1.368 4.172 1.305 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.984 5.949 3.758 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.172 6.765 4.242 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.360 6.637 5.746 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.460 7.516 6.487 1.00 0.00 N ATOM 1189 CZ ARG A 81 -3.705 7.950 7.718 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -4.817 7.587 8.343 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -2.837 8.748 8.327 1.00 0.00 N ATOM 0 H ARG A 81 -3.264 3.336 2.635 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.752 6.109 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.826 5.113 4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.088 6.568 3.799 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.026 7.813 3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.076 6.432 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.392 6.875 6.004 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.186 5.604 6.046 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.596 7.813 6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.486 6.973 7.878 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.003 7.922 9.288 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.980 9.029 7.850 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.026 9.081 9.272 1.00 0.00 H new ATOM 1205 N LEU A 82 -1.096 6.396 1.511 1.00 0.00 N ATOM 1206 CA LEU A 82 0.222 6.403 0.887 1.00 0.00 C ATOM 1207 C LEU A 82 1.080 7.537 1.440 1.00 0.00 C ATOM 1208 O LEU A 82 0.595 8.646 1.660 1.00 0.00 O ATOM 1209 CB LEU A 82 0.089 6.544 -0.630 1.00 0.00 C ATOM 1210 CG LEU A 82 1.386 6.799 -1.398 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.323 5.607 -1.274 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.091 7.098 -2.860 1.00 0.00 C ATOM 0 H LEU A 82 -1.427 7.314 1.806 1.00 0.00 H new ATOM 0 HA LEU A 82 0.710 5.456 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.368 5.635 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.600 7.362 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 82 1.878 7.669 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.241 5.807 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.561 5.439 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.839 4.720 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.026 7.277 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.576 6.248 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.459 7.983 -2.930 1.00 0.00 H new ATOM 1224 N ARG A 83 2.359 7.250 1.661 1.00 0.00 N ATOM 1225 CA ARG A 83 3.285 8.245 2.188 1.00 0.00 C ATOM 1226 C ARG A 83 4.699 8.002 1.666 1.00 0.00 C ATOM 1227 O ARG A 83 5.179 6.869 1.651 1.00 0.00 O ATOM 1228 CB ARG A 83 3.283 8.216 3.717 1.00 0.00 C ATOM 1229 CG ARG A 83 4.084 7.067 4.306 1.00 0.00 C ATOM 1230 CD ARG A 83 4.266 7.226 5.808 1.00 0.00 C ATOM 1231 NE ARG A 83 4.769 6.005 6.431 1.00 0.00 N ATOM 1232 CZ ARG A 83 5.279 5.962 7.657 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.351 7.066 8.387 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.716 4.812 8.154 1.00 0.00 N ATOM 0 H ARG A 83 2.777 6.337 1.483 1.00 0.00 H new ATOM 0 HA ARG A 83 2.954 9.227 1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.686 9.157 4.090 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.254 8.148 4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.577 6.125 4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.060 7.018 3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.958 8.045 6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.313 7.498 6.262 1.00 0.00 H new ATOM 0 HE ARG A 83 4.727 5.138 5.896 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.014 7.951 8.008 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.743 7.031 9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.660 3.961 7.595 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.108 4.779 9.095 1.00 0.00 H new ATOM 1248 N ALA A 84 5.358 9.074 1.239 1.00 0.00 N ATOM 1249 CA ALA A 84 6.716 8.977 0.718 1.00 0.00 C ATOM 1250 C ALA A 84 7.738 9.404 1.766 1.00 0.00 C ATOM 1251 O ALA A 84 7.401 10.086 2.733 1.00 0.00 O ATOM 1252 CB ALA A 84 6.861 9.823 -0.539 1.00 0.00 C ATOM 0 H ALA A 84 4.974 10.019 1.244 1.00 0.00 H new ATOM 0 HA ALA A 84 6.908 7.934 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.880 9.741 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.163 9.470 -1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.644 10.865 -0.303 1.00 0.00 H new ATOM 1258 N ALA A 85 8.988 8.998 1.567 1.00 0.00 N ATOM 1259 CA ALA A 85 10.059 9.340 2.495 1.00 0.00 C ATOM 1260 C ALA A 85 11.333 9.718 1.748 1.00 0.00 C ATOM 1261 O ALA A 85 11.679 9.101 0.741 1.00 0.00 O ATOM 1262 CB ALA A 85 10.325 8.181 3.444 1.00 0.00 C ATOM 0 H ALA A 85 9.284 8.432 0.772 1.00 0.00 H new ATOM 0 HA ALA A 85 9.740 10.205 3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.127 8.450 4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.421 7.960 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.618 7.301 2.871 1.00 0.00 H new ATOM 1268 N ASN A 86 12.027 10.735 2.247 1.00 0.00 N ATOM 1269 CA ASN A 86 13.263 11.196 1.625 1.00 0.00 C ATOM 1270 C ASN A 86 14.381 11.311 2.656 1.00 0.00 C ATOM 1271 O ASN A 86 14.211 10.939 3.818 1.00 0.00 O ATOM 1272 CB ASN A 86 13.042 12.548 0.943 1.00 0.00 C ATOM 1273 CG ASN A 86 12.381 13.557 1.861 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.306 13.355 3.073 1.00 0.00 O ATOM 1275 ND2 ASN A 86 11.898 14.653 1.286 1.00 0.00 N ATOM 0 H ASN A 86 11.755 11.256 3.081 1.00 0.00 H new ATOM 0 HA ASN A 86 13.559 10.462 0.875 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.000 12.942 0.604 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.424 12.408 0.056 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.443 15.368 1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.982 14.779 0.277 1.00 0.00 H new ATOM 1282 N LYS A 87 15.526 11.829 2.225 1.00 0.00 N ATOM 1283 CA LYS A 87 16.673 11.996 3.109 1.00 0.00 C ATOM 1284 C LYS A 87 16.276 12.741 4.380 1.00 0.00 C ATOM 1285 O LYS A 87 17.000 12.719 5.375 1.00 0.00 O ATOM 1286 CB LYS A 87 17.792 12.752 2.390 1.00 0.00 C ATOM 1287 CG LYS A 87 17.360 14.100 1.841 1.00 0.00 C ATOM 1288 CD LYS A 87 18.551 15.013 1.601 1.00 0.00 C ATOM 1289 CE LYS A 87 18.197 16.470 1.857 1.00 0.00 C ATOM 1290 NZ LYS A 87 18.970 17.391 0.978 1.00 0.00 N ATOM 0 H LYS A 87 15.684 12.141 1.267 1.00 0.00 H new ATOM 0 HA LYS A 87 17.033 11.005 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.622 12.900 3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.165 12.138 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.817 13.956 0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.672 14.575 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.374 14.718 2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.899 14.897 0.575 1.00 0.00 H new ATOM 0 HE2 LYS A 87 17.130 16.619 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 87 18.394 16.714 2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.700 18.374 1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.987 17.267 1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.763 17.176 -0.018 1.00 0.00 H new ATOM 1304 N MET A 88 15.122 13.397 4.339 1.00 0.00 N ATOM 1305 CA MET A 88 14.628 14.147 5.489 1.00 0.00 C ATOM 1306 C MET A 88 13.826 13.245 6.422 1.00 0.00 C ATOM 1307 O MET A 88 14.138 13.127 7.606 1.00 0.00 O ATOM 1308 CB MET A 88 13.763 15.320 5.026 1.00 0.00 C ATOM 1309 CG MET A 88 14.506 16.316 4.151 1.00 0.00 C ATOM 1310 SD MET A 88 15.760 17.240 5.059 1.00 0.00 S ATOM 1311 CE MET A 88 17.094 16.045 5.104 1.00 0.00 C ATOM 0 H MET A 88 14.511 13.425 3.523 1.00 0.00 H new ATOM 0 HA MET A 88 15.488 14.533 6.036 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.906 14.933 4.475 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.371 15.839 5.901 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.979 15.785 3.325 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.791 17.014 3.714 1.00 0.00 H new ATOM 0 HE1 MET A 88 18.048 16.561 4.998 1.00 0.00 H new ATOM 0 HE2 MET A 88 17.073 15.512 6.055 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.973 15.334 4.287 1.00 0.00 H new ATOM 1321 N GLY A 89 12.792 12.610 5.880 1.00 0.00 N ATOM 1322 CA GLY A 89 11.962 11.727 6.679 1.00 0.00 C ATOM 1323 C GLY A 89 10.657 11.378 5.991 1.00 0.00 C ATOM 1324 O GLY A 89 10.476 11.663 4.806 1.00 0.00 O ATOM 0 H GLY A 89 12.514 12.691 4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.513 10.811 6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.749 12.202 7.637 1.00 0.00 H new ATOM 1328 N PHE A 90 9.745 10.759 6.733 1.00 0.00 N ATOM 1329 CA PHE A 90 8.451 10.368 6.186 1.00 0.00 C ATOM 1330 C PHE A 90 7.451 11.517 6.281 1.00 0.00 C ATOM 1331 O PHE A 90 7.359 12.191 7.306 1.00 0.00 O ATOM 1332 CB PHE A 90 7.910 9.143 6.927 1.00 0.00 C ATOM 1333 CG PHE A 90 8.334 7.838 6.316 1.00 0.00 C ATOM 1334 CD1 PHE A 90 7.604 7.272 5.283 1.00 0.00 C ATOM 1335 CD2 PHE A 90 9.461 7.177 6.776 1.00 0.00 C ATOM 1336 CE1 PHE A 90 7.992 6.071 4.719 1.00 0.00 C ATOM 1337 CE2 PHE A 90 9.854 5.976 6.215 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.118 5.422 5.187 1.00 0.00 C ATOM 0 H PHE A 90 9.878 10.517 7.715 1.00 0.00 H new ATOM 0 HA PHE A 90 8.589 10.116 5.135 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.247 9.177 7.963 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.821 9.190 6.944 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.722 7.775 4.914 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.039 7.605 7.582 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.415 5.641 3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.736 5.472 6.581 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.422 4.483 4.749 1.00 0.00 H new ATOM 1348 N GLY A 91 6.704 11.734 5.203 1.00 0.00 N ATOM 1349 CA GLY A 91 5.722 12.802 5.184 1.00 0.00 C ATOM 1350 C GLY A 91 4.327 12.312 5.518 1.00 0.00 C ATOM 1351 O GLY A 91 4.130 11.169 5.933 1.00 0.00 O ATOM 0 H GLY A 91 6.761 11.189 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.014 13.573 5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.714 13.267 4.198 1.00 0.00 H new ATOM 1355 N PRO A 92 3.328 13.189 5.339 1.00 0.00 N ATOM 1356 CA PRO A 92 1.927 12.862 5.620 1.00 0.00 C ATOM 1357 C PRO A 92 1.355 11.859 4.624 1.00 0.00 C ATOM 1358 O PRO A 92 1.750 11.833 3.458 1.00 0.00 O ATOM 1359 CB PRO A 92 1.215 14.211 5.488 1.00 0.00 C ATOM 1360 CG PRO A 92 2.079 15.008 4.573 1.00 0.00 C ATOM 1361 CD PRO A 92 3.490 14.568 4.848 1.00 0.00 C ATOM 0 HA PRO A 92 1.806 12.394 6.597 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.211 14.091 5.080 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.109 14.699 6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.811 14.832 3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.961 16.076 4.756 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.105 14.605 3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.972 15.205 5.590 1.00 0.00 H new ATOM 1369 N PHE A 93 0.423 11.035 5.091 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.203 10.029 4.241 1.00 0.00 C ATOM 1371 C PHE A 93 -1.201 10.671 3.282 1.00 0.00 C ATOM 1372 O PHE A 93 -1.645 11.799 3.495 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.908 8.974 5.097 1.00 0.00 C ATOM 1374 CG PHE A 93 -0.030 7.810 5.457 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.291 6.849 4.513 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.475 7.677 6.741 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.100 5.777 4.841 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.283 6.607 7.075 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.595 5.655 6.124 1.00 0.00 C ATOM 0 H PHE A 93 0.085 11.044 6.053 1.00 0.00 H new ATOM 0 HA PHE A 93 0.580 9.548 3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.270 9.443 6.012 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.782 8.607 4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.095 6.938 3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.234 8.418 7.489 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.344 5.036 4.094 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.670 6.515 8.079 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.225 4.817 6.384 1.00 0.00 H new ATOM 1389 N SER A 94 -1.548 9.945 2.225 1.00 0.00 N ATOM 1390 CA SER A 94 -2.490 10.445 1.230 1.00 0.00 C ATOM 1391 C SER A 94 -3.926 10.315 1.728 1.00 0.00 C ATOM 1392 O SER A 94 -4.164 9.929 2.872 1.00 0.00 O ATOM 1393 CB SER A 94 -2.324 9.684 -0.087 1.00 0.00 C ATOM 1394 OG SER A 94 -2.799 8.354 0.029 1.00 0.00 O ATOM 0 H SER A 94 -1.191 9.008 2.035 1.00 0.00 H new ATOM 0 HA SER A 94 -2.277 11.501 1.061 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.867 10.199 -0.879 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.273 9.674 -0.375 1.00 0.00 H new ATOM 0 HG SER A 94 -3.773 8.343 -0.083 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.879 10.642 0.860 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.291 10.563 1.212 1.00 0.00 C ATOM 1402 C GLU A 95 -6.734 9.110 1.364 1.00 0.00 C ATOM 1403 O GLU A 95 -6.550 8.295 0.460 1.00 0.00 O ATOM 1404 CB GLU A 95 -7.144 11.258 0.149 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.886 12.752 0.043 1.00 0.00 C ATOM 1406 CD GLU A 95 -8.015 13.492 -0.648 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -8.344 13.131 -1.798 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -8.569 14.431 -0.040 1.00 0.00 O ATOM 0 H GLU A 95 -4.698 10.964 -0.091 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.429 11.069 2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.952 10.795 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.197 11.095 0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.745 13.164 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.959 12.919 -0.505 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.318 8.794 2.515 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.788 7.441 2.788 1.00 0.00 C ATOM 1417 C LYS A 96 -8.784 6.986 1.726 1.00 0.00 C ATOM 1418 O LYS A 96 -9.952 7.376 1.749 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.437 7.374 4.173 1.00 0.00 C ATOM 1420 CG LYS A 96 -9.281 8.591 4.508 1.00 0.00 C ATOM 1421 CD LYS A 96 -10.377 8.252 5.504 1.00 0.00 C ATOM 1422 CE LYS A 96 -11.601 9.134 5.309 1.00 0.00 C ATOM 1423 NZ LYS A 96 -12.442 9.196 6.536 1.00 0.00 N ATOM 0 H LYS A 96 -7.477 9.457 3.274 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.927 6.773 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.061 6.482 4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.656 7.265 4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.644 9.375 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.727 8.988 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.660 7.205 5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.998 8.373 6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.283 10.140 5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.196 8.751 4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.266 9.807 6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.766 8.239 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.882 9.585 7.321 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.315 6.159 0.798 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.165 5.651 -0.273 1.00 0.00 C ATOM 1439 C CYS A 97 -9.843 4.349 0.143 1.00 0.00 C ATOM 1440 O CYS A 97 -9.176 3.373 0.487 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.343 5.429 -1.543 1.00 0.00 C ATOM 1442 SG CYS A 97 -9.287 4.740 -2.922 1.00 0.00 S ATOM 0 H CYS A 97 -7.351 5.826 0.766 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.937 6.394 -0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.909 6.380 -1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.514 4.760 -1.314 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.506 4.590 -3.951 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.171 4.343 0.110 1.00 0.00 N ATOM 1449 CA ASP A 98 -11.939 3.161 0.484 1.00 0.00 C ATOM 1450 C ASP A 98 -11.983 2.156 -0.663 1.00 0.00 C ATOM 1451 O ASP A 98 -12.367 2.494 -1.783 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.361 3.558 0.885 1.00 0.00 C ATOM 1453 CG ASP A 98 -14.313 3.573 -0.295 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -14.115 4.404 -1.206 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -15.254 2.753 -0.308 1.00 0.00 O ATOM 0 H ASP A 98 -11.738 5.143 -0.172 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.446 2.692 1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.731 2.862 1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.343 4.546 1.346 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.585 0.921 -0.376 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.579 -0.132 -1.383 1.00 0.00 C ATOM 1462 C ILE A 99 -12.345 -1.359 -0.900 1.00 0.00 C ATOM 1463 O ILE A 99 -12.047 -1.914 0.159 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.143 -0.550 -1.752 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.466 0.547 -2.577 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.154 -1.865 -2.516 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.020 0.250 -2.904 1.00 0.00 C ATOM 0 H ILE A 99 -11.263 0.626 0.546 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.069 0.275 -2.268 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.574 -0.691 -0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.019 0.686 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.521 1.488 -2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.132 -2.147 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.602 -2.642 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.736 -1.750 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.604 1.069 -3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.453 0.140 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.959 -0.674 -3.479 1.00 0.00 H new ATOM 1479 N THR A 100 -13.333 -1.780 -1.683 1.00 0.00 N ATOM 1480 CA THR A 100 -14.142 -2.942 -1.336 1.00 0.00 C ATOM 1481 C THR A 100 -13.649 -4.190 -2.059 1.00 0.00 C ATOM 1482 O THR A 100 -13.672 -4.259 -3.288 1.00 0.00 O ATOM 1483 CB THR A 100 -15.626 -2.716 -1.680 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.064 -1.457 -1.158 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.489 -3.833 -1.114 1.00 0.00 C ATOM 0 H THR A 100 -13.592 -1.333 -2.562 1.00 0.00 H new ATOM 0 HA THR A 100 -14.044 -3.086 -0.260 1.00 0.00 H new ATOM 0 HB THR A 100 -15.728 -2.714 -2.765 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.043 -1.484 -0.179 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.533 -3.651 -1.370 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.173 -4.787 -1.536 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.381 -3.862 -0.030 1.00 0.00 H new ATOM 1493 N THR A 101 -13.203 -5.178 -1.288 1.00 0.00 N ATOM 1494 CA THR A 101 -12.705 -6.424 -1.854 1.00 0.00 C ATOM 1495 C THR A 101 -13.800 -7.158 -2.619 1.00 0.00 C ATOM 1496 O THR A 101 -14.929 -6.678 -2.718 1.00 0.00 O ATOM 1497 CB THR A 101 -12.146 -7.355 -0.761 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.155 -7.616 0.221 1.00 0.00 O ATOM 1499 CG2 THR A 101 -10.929 -6.734 -0.092 1.00 0.00 C ATOM 0 H THR A 101 -13.177 -5.138 -0.269 1.00 0.00 H new ATOM 0 HA THR A 101 -11.901 -6.159 -2.541 1.00 0.00 H new ATOM 0 HB THR A 101 -11.844 -8.291 -1.230 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.730 -7.813 1.082 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.552 -7.409 0.676 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.152 -6.562 -0.837 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.210 -5.785 0.365 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.460 -8.324 -3.159 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.416 -9.125 -3.912 1.00 0.00 C ATOM 1509 C ALA A 102 -15.311 -9.933 -2.979 1.00 0.00 C ATOM 1510 O ALA A 102 -14.919 -10.307 -1.874 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.686 -10.048 -4.877 1.00 0.00 C ATOM 0 H ALA A 102 -12.529 -8.735 -3.089 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.050 -8.447 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.412 -10.641 -5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.094 -9.453 -5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.028 -10.712 -4.317 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.543 -10.210 -3.433 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.520 -10.976 -2.653 1.00 0.00 C ATOM 1519 C PRO A 103 -17.132 -12.445 -2.522 1.00 0.00 C ATOM 1520 O PRO A 103 -17.862 -13.240 -1.931 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.810 -10.834 -3.464 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.355 -10.579 -4.859 1.00 0.00 C ATOM 1523 CD PRO A 103 -17.077 -9.796 -4.741 1.00 0.00 C ATOM 0 HA PRO A 103 -17.602 -10.611 -1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.416 -11.738 -3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.423 -10.014 -3.092 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.191 -11.515 -5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.105 -10.020 -5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.385 -10.031 -5.550 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.259 -8.722 -4.779 1.00 0.00 H new ATOM 1531 N GLY A 104 -15.977 -12.800 -3.077 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.512 -14.173 -3.011 1.00 0.00 C ATOM 1533 C GLY A 104 -15.983 -15.002 -4.189 1.00 0.00 C ATOM 1534 O GLY A 104 -15.187 -15.687 -4.832 1.00 0.00 O ATOM 0 H GLY A 104 -15.355 -12.161 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.423 -14.183 -2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.865 -14.629 -2.086 1.00 0.00 H new