USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 431 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 48 GLN : amide:sc= 0.686 K(o=-0.43,f=-11!) USER MOD Set 1.2: A 49 LYS NZ :NH3+ 156:sc= -1.12! (180deg=-1.92!) USER MOD Set 2.1: A 41 ASN : amide:sc= -1.21 K(o=-2.1,f=-9.4!) USER MOD Set 2.2: A 44 LYS NZ :NH3+ -124:sc= -0.907 (180deg=-1.16) USER MOD Set 3.1: A 23 TYR OH : rot -20:sc= 2.17 USER MOD Set 3.2: A 28 LYS NZ :NH3+ 146:sc= 1.1 (180deg=-0.66) USER MOD Set 4.1: A 9 LYS NZ :NH3+ -168:sc= -0.66! (180deg=-1.71!) USER MOD Set 4.2: A 22 TYR OH : rot 180:sc= -0.872 USER MOD Single : A 1 GLU N :NH3+ -134:sc= -3.63! (180deg=-7.77!) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.672 USER MOD Single : A 6 LYS NZ :NH3+ -108:sc= -2.22! (180deg=-7.24!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -120:sc= 1.12 (180deg=-0.365) USER MOD Single : A 26 ASN : amide:sc= 0.875 K(o=0.87,f=-0.022) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.187 USER MOD Single : A 35 TYR OH : rot -132:sc= 0.411 USER MOD Single : A 43 ASN : amide:sc= 1.02 K(o=1,f=-7!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.562 USER MOD Single : A 53 LYS NZ :NH3+ 150:sc= -2.94! (180deg=-4.73!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -9.700 -8.102 1.822 1.00 0.00 N ATOM 2 CA GLU A 1 -9.001 -9.100 2.700 1.00 0.00 C ATOM 3 C GLU A 1 -8.382 -10.103 1.698 1.00 0.00 C ATOM 4 O GLU A 1 -9.004 -10.274 0.668 1.00 0.00 O ATOM 5 CB GLU A 1 -10.114 -9.709 3.671 1.00 0.00 C ATOM 6 CG GLU A 1 -10.687 -8.546 4.638 1.00 0.00 C ATOM 7 CD GLU A 1 -10.868 -7.270 3.859 1.00 0.00 C ATOM 8 OE1 GLU A 1 -11.873 -7.192 3.195 1.00 0.00 O ATOM 9 OE2 GLU A 1 -9.956 -6.478 3.920 1.00 0.00 O ATOM 0 H1 GLU A 1 -9.476 -7.139 2.145 1.00 0.00 H new ATOM 0 H2 GLU A 1 -9.381 -8.221 0.839 1.00 0.00 H new ATOM 0 H3 GLU A 1 -10.728 -8.254 1.873 1.00 0.00 H new ATOM 0 HA GLU A 1 -8.211 -8.721 3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -10.925 -10.141 3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -9.688 -10.515 4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -11.639 -8.856 5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -10.000 -8.381 5.468 1.00 0.00 H new ATOM 18 N THR A 2 -7.242 -10.719 1.947 1.00 0.00 N ATOM 19 CA THR A 2 -6.667 -11.704 0.923 1.00 0.00 C ATOM 20 C THR A 2 -6.188 -10.889 -0.303 1.00 0.00 C ATOM 21 O THR A 2 -6.337 -9.682 -0.310 1.00 0.00 O ATOM 22 CB THR A 2 -7.784 -12.759 0.490 1.00 0.00 C ATOM 23 OG1 THR A 2 -8.674 -12.810 1.594 1.00 0.00 O ATOM 24 CG2 THR A 2 -7.385 -14.230 0.637 1.00 0.00 C ATOM 0 H THR A 2 -6.685 -10.595 2.792 1.00 0.00 H new ATOM 0 HA THR A 2 -5.833 -12.258 1.354 1.00 0.00 H new ATOM 0 HB THR A 2 -8.077 -12.464 -0.517 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.397 -13.443 1.402 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.211 -14.865 0.317 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.511 -14.433 0.019 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.148 -14.440 1.680 1.00 0.00 H new ATOM 32 N ASP A 3 -5.622 -11.541 -1.271 1.00 0.00 N ATOM 33 CA ASP A 3 -5.107 -10.926 -2.531 1.00 0.00 C ATOM 34 C ASP A 3 -4.888 -9.383 -2.643 1.00 0.00 C ATOM 35 O ASP A 3 -5.299 -8.738 -3.585 1.00 0.00 O ATOM 36 CB ASP A 3 -6.094 -11.481 -3.586 1.00 0.00 C ATOM 37 CG ASP A 3 -5.776 -12.887 -3.967 1.00 0.00 C ATOM 38 OD1 ASP A 3 -4.660 -13.090 -4.388 1.00 0.00 O ATOM 39 OD2 ASP A 3 -6.657 -13.707 -3.868 1.00 0.00 O ATOM 0 H ASP A 3 -5.484 -12.551 -1.239 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.057 -11.197 -2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.109 -11.433 -3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.067 -10.850 -4.474 1.00 0.00 H new ATOM 44 N ILE A 4 -4.228 -8.817 -1.676 1.00 0.00 N ATOM 45 CA ILE A 4 -3.946 -7.339 -1.673 1.00 0.00 C ATOM 46 C ILE A 4 -3.502 -6.794 -3.052 1.00 0.00 C ATOM 47 O ILE A 4 -3.872 -5.734 -3.516 1.00 0.00 O ATOM 48 CB ILE A 4 -2.869 -7.057 -0.587 1.00 0.00 C ATOM 49 CG1 ILE A 4 -1.529 -7.791 -0.881 1.00 0.00 C ATOM 50 CG2 ILE A 4 -3.424 -7.536 0.786 1.00 0.00 C ATOM 51 CD1 ILE A 4 -0.440 -7.298 0.105 1.00 0.00 C ATOM 0 H ILE A 4 -3.861 -9.318 -0.867 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.873 -6.813 -1.445 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.660 -5.987 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.663 -8.868 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.217 -7.602 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.684 -7.348 1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.340 -6.993 1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.638 -8.604 0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.498 -7.813 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.299 -6.224 -0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.752 -7.510 1.128 1.00 0.00 H new ATOM 63 N CYS A 5 -2.714 -7.615 -3.671 1.00 0.00 N ATOM 64 CA CYS A 5 -2.123 -7.338 -5.026 1.00 0.00 C ATOM 65 C CYS A 5 -3.157 -7.218 -6.179 1.00 0.00 C ATOM 66 O CYS A 5 -2.859 -6.862 -7.302 1.00 0.00 O ATOM 67 CB CYS A 5 -1.126 -8.472 -5.224 1.00 0.00 C ATOM 68 SG CYS A 5 0.112 -8.592 -3.915 1.00 0.00 S ATOM 0 H CYS A 5 -2.435 -8.516 -3.282 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.656 -6.354 -5.059 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.670 -9.415 -5.284 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.619 -8.335 -6.179 1.00 0.00 H new ATOM 73 N LYS A 6 -4.372 -7.538 -5.856 1.00 0.00 N ATOM 74 CA LYS A 6 -5.516 -7.487 -6.819 1.00 0.00 C ATOM 75 C LYS A 6 -6.568 -6.434 -6.374 1.00 0.00 C ATOM 76 O LYS A 6 -7.680 -6.408 -6.860 1.00 0.00 O ATOM 77 CB LYS A 6 -6.056 -8.951 -6.872 1.00 0.00 C ATOM 78 CG LYS A 6 -4.999 -9.874 -7.582 1.00 0.00 C ATOM 79 CD LYS A 6 -5.037 -11.334 -6.995 1.00 0.00 C ATOM 80 CE LYS A 6 -6.403 -12.053 -7.072 1.00 0.00 C ATOM 81 NZ LYS A 6 -6.172 -13.433 -6.549 1.00 0.00 N ATOM 0 H LYS A 6 -4.637 -7.848 -4.921 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.228 -7.159 -7.818 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.253 -9.314 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.002 -8.982 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.199 -9.904 -8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.001 -9.454 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.299 -11.938 -7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.727 -11.294 -5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.153 -11.531 -6.478 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.772 -12.081 -8.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.208 -14.113 -7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.238 -13.480 -6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.909 -13.669 -5.854 1.00 0.00 H new ATOM 95 N LEU A 7 -6.175 -5.584 -5.460 1.00 0.00 N ATOM 96 CA LEU A 7 -7.058 -4.512 -4.939 1.00 0.00 C ATOM 97 C LEU A 7 -6.697 -3.192 -5.697 1.00 0.00 C ATOM 98 O LEU A 7 -5.771 -2.498 -5.325 1.00 0.00 O ATOM 99 CB LEU A 7 -6.823 -4.370 -3.406 1.00 0.00 C ATOM 100 CG LEU A 7 -7.044 -5.699 -2.659 1.00 0.00 C ATOM 101 CD1 LEU A 7 -6.884 -5.436 -1.159 1.00 0.00 C ATOM 102 CD2 LEU A 7 -8.470 -6.208 -2.869 1.00 0.00 C ATOM 0 H LEU A 7 -5.244 -5.595 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.112 -4.741 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.807 -4.019 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.497 -3.613 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.329 -6.432 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.036 -6.364 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.881 -5.057 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.620 -4.699 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.604 -7.147 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.179 -5.471 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.646 -6.369 -3.933 1.00 0.00 H new ATOM 114 N PRO A 8 -7.423 -2.895 -6.752 1.00 0.00 N ATOM 115 CA PRO A 8 -6.975 -1.931 -7.814 1.00 0.00 C ATOM 116 C PRO A 8 -6.637 -0.459 -7.422 1.00 0.00 C ATOM 117 O PRO A 8 -6.635 -0.062 -6.275 1.00 0.00 O ATOM 118 CB PRO A 8 -8.119 -2.050 -8.856 1.00 0.00 C ATOM 119 CG PRO A 8 -9.340 -2.363 -7.957 1.00 0.00 C ATOM 120 CD PRO A 8 -8.783 -3.445 -7.034 1.00 0.00 C ATOM 0 HA PRO A 8 -5.979 -2.205 -8.163 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.254 -1.128 -9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.931 -2.843 -9.580 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.675 -1.486 -7.403 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.193 -2.719 -8.535 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.378 -3.563 -6.128 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.743 -4.421 -7.518 1.00 0.00 H new ATOM 128 N LYS A 9 -6.348 0.271 -8.468 1.00 0.00 N ATOM 129 CA LYS A 9 -5.984 1.743 -8.433 1.00 0.00 C ATOM 130 C LYS A 9 -6.949 2.538 -7.487 1.00 0.00 C ATOM 131 O LYS A 9 -7.943 3.074 -7.933 1.00 0.00 O ATOM 132 CB LYS A 9 -6.053 2.271 -9.924 1.00 0.00 C ATOM 133 CG LYS A 9 -5.284 1.339 -10.931 1.00 0.00 C ATOM 134 CD LYS A 9 -5.285 1.981 -12.360 1.00 0.00 C ATOM 135 CE LYS A 9 -4.987 0.974 -13.518 1.00 0.00 C ATOM 136 NZ LYS A 9 -3.727 0.241 -13.231 1.00 0.00 N ATOM 0 H LYS A 9 -6.347 -0.112 -9.413 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.982 1.888 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.096 2.348 -10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.632 3.275 -9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.259 1.189 -10.591 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.756 0.357 -10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.256 2.443 -12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.543 2.779 -12.388 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.813 0.270 -13.623 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.901 1.508 -14.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.423 -0.273 -14.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.988 0.917 -12.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.887 -0.435 -12.457 1.00 0.00 H new ATOM 150 N ASP A 10 -6.612 2.559 -6.226 1.00 0.00 N ATOM 151 CA ASP A 10 -7.418 3.264 -5.173 1.00 0.00 C ATOM 152 C ASP A 10 -6.819 4.443 -4.322 1.00 0.00 C ATOM 153 O ASP A 10 -6.198 4.199 -3.296 1.00 0.00 O ATOM 154 CB ASP A 10 -7.931 2.067 -4.290 1.00 0.00 C ATOM 155 CG ASP A 10 -8.285 2.479 -2.884 1.00 0.00 C ATOM 156 OD1 ASP A 10 -9.119 3.333 -2.720 1.00 0.00 O ATOM 157 OD2 ASP A 10 -7.656 1.889 -2.030 1.00 0.00 O ATOM 0 H ASP A 10 -5.777 2.099 -5.864 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.167 3.872 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.807 1.623 -4.764 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.163 1.295 -4.253 1.00 0.00 H new ATOM 162 N GLU A 11 -6.971 5.663 -4.746 1.00 0.00 N ATOM 163 CA GLU A 11 -6.428 6.808 -3.931 1.00 0.00 C ATOM 164 C GLU A 11 -6.866 6.683 -2.427 1.00 0.00 C ATOM 165 O GLU A 11 -6.081 6.841 -1.508 1.00 0.00 O ATOM 166 CB GLU A 11 -6.940 8.142 -4.599 1.00 0.00 C ATOM 167 CG GLU A 11 -6.024 8.518 -5.824 1.00 0.00 C ATOM 168 CD GLU A 11 -5.854 7.479 -6.928 1.00 0.00 C ATOM 169 OE1 GLU A 11 -6.835 6.842 -7.249 1.00 0.00 O ATOM 170 OE2 GLU A 11 -4.728 7.403 -7.391 1.00 0.00 O ATOM 0 H GLU A 11 -7.441 5.927 -5.612 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.338 6.801 -3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.971 8.020 -4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.933 8.950 -3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.425 9.425 -6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.034 8.764 -5.440 1.00 0.00 H new ATOM 177 N GLY A 12 -8.119 6.377 -2.186 1.00 0.00 N ATOM 178 CA GLY A 12 -8.643 6.244 -0.770 1.00 0.00 C ATOM 179 C GLY A 12 -9.435 7.494 -0.350 1.00 0.00 C ATOM 180 O GLY A 12 -9.935 8.237 -1.168 1.00 0.00 O ATOM 0 H GLY A 12 -8.816 6.210 -2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.282 5.364 -0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.810 6.091 -0.084 1.00 0.00 H new ATOM 184 N THR A 13 -9.556 7.717 0.926 1.00 0.00 N ATOM 185 CA THR A 13 -10.326 8.946 1.419 1.00 0.00 C ATOM 186 C THR A 13 -9.470 9.946 2.227 1.00 0.00 C ATOM 187 O THR A 13 -8.484 9.531 2.791 1.00 0.00 O ATOM 188 CB THR A 13 -11.514 8.465 2.277 1.00 0.00 C ATOM 189 OG1 THR A 13 -12.304 7.713 1.375 1.00 0.00 O ATOM 190 CG2 THR A 13 -12.516 9.554 2.569 1.00 0.00 C ATOM 0 H THR A 13 -9.169 7.124 1.660 1.00 0.00 H new ATOM 0 HA THR A 13 -10.660 9.490 0.536 1.00 0.00 H new ATOM 0 HB THR A 13 -11.106 8.011 3.180 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.091 7.363 1.843 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.326 9.150 3.176 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.026 10.364 3.110 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.921 9.937 1.632 1.00 0.00 H new ATOM 198 N CYS A 14 -9.897 11.192 2.219 1.00 0.00 N ATOM 199 CA CYS A 14 -9.290 12.419 2.905 1.00 0.00 C ATOM 200 C CYS A 14 -8.492 13.319 1.885 1.00 0.00 C ATOM 201 O CYS A 14 -8.850 13.423 0.721 1.00 0.00 O ATOM 202 CB CYS A 14 -8.335 11.984 4.105 1.00 0.00 C ATOM 203 SG CYS A 14 -9.051 11.413 5.665 1.00 0.00 S ATOM 0 H CYS A 14 -10.742 11.442 1.705 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.117 13.007 3.304 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.689 11.188 3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.693 12.835 4.334 1.00 0.00 H new ATOM 208 N ARG A 15 -7.445 13.990 2.304 1.00 0.00 N ATOM 209 CA ARG A 15 -6.656 14.855 1.345 1.00 0.00 C ATOM 210 C ARG A 15 -5.127 14.619 1.208 1.00 0.00 C ATOM 211 O ARG A 15 -4.440 15.468 0.672 1.00 0.00 O ATOM 212 CB ARG A 15 -6.944 16.341 1.748 1.00 0.00 C ATOM 213 CG ARG A 15 -8.417 16.744 1.456 1.00 0.00 C ATOM 214 CD ARG A 15 -8.662 17.079 -0.023 1.00 0.00 C ATOM 215 NE ARG A 15 -8.316 15.841 -0.804 1.00 0.00 N ATOM 216 CZ ARG A 15 -7.558 15.866 -1.816 1.00 0.00 C ATOM 217 NH1 ARG A 15 -6.315 15.774 -1.672 1.00 0.00 N ATOM 218 NH2 ARG A 15 -8.111 15.980 -2.927 1.00 0.00 N ATOM 0 H ARG A 15 -7.097 13.982 3.263 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.002 14.576 0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.734 16.477 2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.271 17.002 1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.077 15.929 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.681 17.607 2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.701 17.365 -0.189 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.045 17.921 -0.337 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.708 14.947 -0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.915 15.679 -0.738 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.704 15.794 -2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.127 16.048 -2.986 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.548 16.006 -3.777 1.00 0.00 H new ATOM 232 N ASP A 16 -4.682 13.485 1.638 1.00 0.00 N ATOM 233 CA ASP A 16 -3.256 13.061 1.611 1.00 0.00 C ATOM 234 C ASP A 16 -2.926 12.222 0.328 1.00 0.00 C ATOM 235 O ASP A 16 -2.864 11.012 0.292 1.00 0.00 O ATOM 236 CB ASP A 16 -3.109 12.317 2.964 1.00 0.00 C ATOM 237 CG ASP A 16 -1.776 11.614 3.093 1.00 0.00 C ATOM 238 OD1 ASP A 16 -0.804 12.278 2.792 1.00 0.00 O ATOM 239 OD2 ASP A 16 -1.840 10.466 3.494 1.00 0.00 O ATOM 0 H ASP A 16 -5.297 12.777 2.039 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.531 13.871 1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.222 13.029 3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.913 11.587 3.064 1.00 0.00 H new ATOM 244 N PHE A 17 -2.753 12.954 -0.742 1.00 0.00 N ATOM 245 CA PHE A 17 -2.417 12.277 -2.056 1.00 0.00 C ATOM 246 C PHE A 17 -1.049 11.578 -2.223 1.00 0.00 C ATOM 247 O PHE A 17 -1.009 10.372 -2.215 1.00 0.00 O ATOM 248 CB PHE A 17 -2.615 13.332 -3.201 1.00 0.00 C ATOM 249 CG PHE A 17 -4.109 13.556 -3.535 1.00 0.00 C ATOM 250 CD1 PHE A 17 -5.145 13.089 -2.744 1.00 0.00 C ATOM 251 CD2 PHE A 17 -4.428 14.222 -4.698 1.00 0.00 C ATOM 252 CE1 PHE A 17 -6.458 13.279 -3.116 1.00 0.00 C ATOM 253 CE2 PHE A 17 -5.740 14.416 -5.075 1.00 0.00 C ATOM 254 CZ PHE A 17 -6.760 13.942 -4.283 1.00 0.00 C ATOM 0 H PHE A 17 -2.825 13.971 -0.777 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.101 11.429 -2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.165 14.279 -2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.090 12.998 -4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.921 12.569 -1.824 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.635 14.599 -5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.254 12.906 -2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.967 14.940 -5.992 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.789 14.089 -4.575 1.00 0.00 H new ATOM 264 N ILE A 18 0.011 12.320 -2.358 1.00 0.00 N ATOM 265 CA ILE A 18 1.416 11.765 -2.537 1.00 0.00 C ATOM 266 C ILE A 18 1.547 10.636 -3.626 1.00 0.00 C ATOM 267 O ILE A 18 0.597 9.982 -3.986 1.00 0.00 O ATOM 268 CB ILE A 18 1.915 11.273 -1.060 1.00 0.00 C ATOM 269 CG1 ILE A 18 2.165 9.743 -0.949 1.00 0.00 C ATOM 270 CG2 ILE A 18 0.906 11.609 0.089 1.00 0.00 C ATOM 271 CD1 ILE A 18 3.638 9.408 -1.314 1.00 0.00 C ATOM 0 H ILE A 18 -0.024 13.339 -2.354 1.00 0.00 H new ATOM 0 HA ILE A 18 2.059 12.551 -2.933 1.00 0.00 H new ATOM 0 HB ILE A 18 2.847 11.827 -0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.949 9.405 0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.488 9.208 -1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.304 11.253 1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.758 12.688 0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.048 11.121 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.798 8.333 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.841 9.728 -2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.309 9.928 -0.631 1.00 0.00 H new ATOM 283 N LEU A 19 2.713 10.394 -4.156 1.00 0.00 N ATOM 284 CA LEU A 19 2.811 9.307 -5.204 1.00 0.00 C ATOM 285 C LEU A 19 3.242 7.946 -4.614 1.00 0.00 C ATOM 286 O LEU A 19 4.238 7.852 -3.924 1.00 0.00 O ATOM 287 CB LEU A 19 3.840 9.735 -6.304 1.00 0.00 C ATOM 288 CG LEU A 19 3.228 10.722 -7.365 1.00 0.00 C ATOM 289 CD1 LEU A 19 4.265 11.027 -8.449 1.00 0.00 C ATOM 290 CD2 LEU A 19 2.041 10.072 -8.111 1.00 0.00 C ATOM 0 H LEU A 19 3.582 10.876 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 19 1.815 9.181 -5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.698 10.209 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.210 8.845 -6.814 1.00 0.00 H new ATOM 0 HG LEU A 19 2.915 11.614 -6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.836 11.711 -9.181 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.143 11.486 -7.994 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.556 10.101 -8.945 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.638 10.777 -8.838 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.383 9.175 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.264 9.805 -7.395 1.00 0.00 H new ATOM 302 N LYS A 20 2.485 6.924 -4.900 1.00 0.00 N ATOM 303 CA LYS A 20 2.823 5.554 -4.372 1.00 0.00 C ATOM 304 C LYS A 20 2.870 4.472 -5.493 1.00 0.00 C ATOM 305 O LYS A 20 2.431 4.746 -6.594 1.00 0.00 O ATOM 306 CB LYS A 20 1.761 5.211 -3.294 1.00 0.00 C ATOM 307 CG LYS A 20 1.845 6.278 -2.165 1.00 0.00 C ATOM 308 CD LYS A 20 1.255 5.726 -0.838 1.00 0.00 C ATOM 309 CE LYS A 20 2.213 4.685 -0.266 1.00 0.00 C ATOM 310 NZ LYS A 20 1.599 4.151 0.991 1.00 0.00 N ATOM 0 H LYS A 20 1.644 6.969 -5.476 1.00 0.00 H new ATOM 0 HA LYS A 20 3.826 5.561 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.764 5.202 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.940 4.215 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.884 6.571 -2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.302 7.174 -2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.110 6.537 -0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.277 5.280 -1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.379 3.881 -0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.185 5.132 -0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.233 4.338 1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.685 4.618 1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.452 3.126 0.897 1.00 0.00 H new ATOM 324 N TRP A 21 3.354 3.283 -5.215 1.00 0.00 N ATOM 325 CA TRP A 21 3.426 2.209 -6.265 1.00 0.00 C ATOM 326 C TRP A 21 2.345 1.172 -5.939 1.00 0.00 C ATOM 327 O TRP A 21 2.183 0.814 -4.791 1.00 0.00 O ATOM 328 CB TRP A 21 4.826 1.510 -6.243 1.00 0.00 C ATOM 329 CG TRP A 21 5.978 2.437 -6.657 1.00 0.00 C ATOM 330 CD1 TRP A 21 6.585 3.356 -5.850 1.00 0.00 C ATOM 331 CD2 TRP A 21 6.546 2.471 -7.883 1.00 0.00 C ATOM 332 NE1 TRP A 21 7.489 3.898 -6.654 1.00 0.00 N ATOM 333 CE2 TRP A 21 7.548 3.432 -7.887 1.00 0.00 C ATOM 334 CE3 TRP A 21 6.298 1.726 -9.042 1.00 0.00 C ATOM 335 CZ2 TRP A 21 8.308 3.653 -9.027 1.00 0.00 C ATOM 336 CZ3 TRP A 21 7.058 1.944 -10.191 1.00 0.00 C ATOM 337 CH2 TRP A 21 8.068 2.908 -10.188 1.00 0.00 C ATOM 0 H TRP A 21 3.706 3.007 -4.298 1.00 0.00 H new ATOM 0 HA TRP A 21 3.275 2.645 -7.252 1.00 0.00 H new ATOM 0 HB2 TRP A 21 5.018 1.130 -5.240 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.804 0.649 -6.911 1.00 0.00 H new ATOM 0 HD1 TRP A 21 6.380 3.584 -4.815 1.00 0.00 H new ATOM 0 HE1 TRP A 21 8.110 4.641 -6.334 1.00 0.00 H new ATOM 0 HE3 TRP A 21 5.516 0.981 -9.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 9.087 4.402 -9.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.865 1.367 -11.083 1.00 0.00 H new ATOM 0 HH2 TRP A 21 8.660 3.078 -11.075 1.00 0.00 H new ATOM 348 N TYR A 22 1.641 0.719 -6.923 1.00 0.00 N ATOM 349 CA TYR A 22 0.571 -0.290 -6.695 1.00 0.00 C ATOM 350 C TYR A 22 0.794 -1.444 -7.703 1.00 0.00 C ATOM 351 O TYR A 22 1.279 -1.184 -8.790 1.00 0.00 O ATOM 352 CB TYR A 22 -0.749 0.521 -6.876 1.00 0.00 C ATOM 353 CG TYR A 22 -1.486 0.082 -8.126 1.00 0.00 C ATOM 354 CD1 TYR A 22 -1.015 0.349 -9.394 1.00 0.00 C ATOM 355 CD2 TYR A 22 -2.636 -0.631 -7.960 1.00 0.00 C ATOM 356 CE1 TYR A 22 -1.713 -0.117 -10.493 1.00 0.00 C ATOM 357 CE2 TYR A 22 -3.323 -1.091 -9.051 1.00 0.00 C ATOM 358 CZ TYR A 22 -2.870 -0.836 -10.306 1.00 0.00 C ATOM 359 OH TYR A 22 -3.614 -1.299 -11.360 1.00 0.00 O ATOM 0 H TYR A 22 1.758 1.006 -7.895 1.00 0.00 H new ATOM 0 HA TYR A 22 0.553 -0.771 -5.717 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.388 0.382 -6.004 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.521 1.585 -6.938 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.107 0.918 -9.528 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.006 -0.833 -6.966 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.352 0.082 -11.491 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.231 -1.660 -8.913 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.394 -1.785 -11.021 1.00 0.00 H new ATOM 369 N TYR A 23 0.435 -2.637 -7.333 1.00 0.00 N ATOM 370 CA TYR A 23 0.612 -3.814 -8.245 1.00 0.00 C ATOM 371 C TYR A 23 -0.578 -3.795 -9.230 1.00 0.00 C ATOM 372 O TYR A 23 -1.726 -3.693 -8.832 1.00 0.00 O ATOM 373 CB TYR A 23 0.624 -5.094 -7.357 1.00 0.00 C ATOM 374 CG TYR A 23 1.098 -6.333 -8.147 1.00 0.00 C ATOM 375 CD1 TYR A 23 2.408 -6.434 -8.553 1.00 0.00 C ATOM 376 CD2 TYR A 23 0.235 -7.363 -8.461 1.00 0.00 C ATOM 377 CE1 TYR A 23 2.845 -7.542 -9.256 1.00 0.00 C ATOM 378 CE2 TYR A 23 0.675 -8.475 -9.167 1.00 0.00 C ATOM 379 CZ TYR A 23 1.986 -8.566 -9.570 1.00 0.00 C ATOM 380 OH TYR A 23 2.450 -9.652 -10.289 1.00 0.00 O ATOM 0 H TYR A 23 0.020 -2.857 -6.427 1.00 0.00 H new ATOM 0 HA TYR A 23 1.541 -3.788 -8.815 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.279 -4.936 -6.500 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.377 -5.274 -6.964 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.102 -5.640 -8.321 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.798 -7.303 -8.153 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.879 -7.603 -9.563 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.016 -9.272 -9.400 1.00 0.00 H new ATOM 0 HH TYR A 23 3.272 -9.405 -10.761 1.00 0.00 H new ATOM 390 N ASP A 24 -0.249 -3.895 -10.481 1.00 0.00 N ATOM 391 CA ASP A 24 -1.254 -3.888 -11.583 1.00 0.00 C ATOM 392 C ASP A 24 -1.231 -5.279 -12.299 1.00 0.00 C ATOM 393 O ASP A 24 -0.572 -5.461 -13.306 1.00 0.00 O ATOM 394 CB ASP A 24 -0.832 -2.662 -12.463 1.00 0.00 C ATOM 395 CG ASP A 24 -1.899 -2.107 -13.361 1.00 0.00 C ATOM 396 OD1 ASP A 24 -2.922 -2.732 -13.541 1.00 0.00 O ATOM 397 OD2 ASP A 24 -1.662 -1.026 -13.846 1.00 0.00 O ATOM 0 H ASP A 24 0.715 -3.985 -10.802 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.294 -3.767 -11.279 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.488 -1.866 -11.803 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.018 -2.956 -13.078 1.00 0.00 H new ATOM 402 N PRO A 25 -1.932 -6.261 -11.770 1.00 0.00 N ATOM 403 CA PRO A 25 -2.119 -7.586 -12.445 1.00 0.00 C ATOM 404 C PRO A 25 -2.045 -7.628 -14.002 1.00 0.00 C ATOM 405 O PRO A 25 -1.587 -8.605 -14.555 1.00 0.00 O ATOM 406 CB PRO A 25 -3.478 -8.073 -11.845 1.00 0.00 C ATOM 407 CG PRO A 25 -3.949 -6.908 -10.910 1.00 0.00 C ATOM 408 CD PRO A 25 -2.661 -6.229 -10.470 1.00 0.00 C ATOM 0 HA PRO A 25 -1.275 -8.247 -12.246 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.208 -8.269 -12.630 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.353 -9.001 -11.287 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.603 -6.214 -11.439 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.510 -7.287 -10.056 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.822 -5.216 -10.101 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.143 -6.776 -9.682 1.00 0.00 H new ATOM 416 N ASN A 26 -2.482 -6.570 -14.634 1.00 0.00 N ATOM 417 CA ASN A 26 -2.498 -6.419 -16.136 1.00 0.00 C ATOM 418 C ASN A 26 -1.079 -6.536 -16.746 1.00 0.00 C ATOM 419 O ASN A 26 -0.862 -7.001 -17.844 1.00 0.00 O ATOM 420 CB ASN A 26 -3.149 -5.040 -16.411 1.00 0.00 C ATOM 421 CG ASN A 26 -4.571 -5.055 -15.897 1.00 0.00 C ATOM 422 OD1 ASN A 26 -5.437 -5.722 -16.404 1.00 0.00 O ATOM 423 ND2 ASN A 26 -4.916 -4.348 -14.885 1.00 0.00 N ATOM 0 H ASN A 26 -2.851 -5.754 -14.146 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.066 -7.219 -16.611 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.580 -4.251 -15.920 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.137 -4.825 -17.479 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.880 -4.371 -14.552 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.227 -3.762 -14.413 1.00 0.00 H new ATOM 430 N THR A 27 -0.150 -6.077 -15.967 1.00 0.00 N ATOM 431 CA THR A 27 1.325 -6.087 -16.333 1.00 0.00 C ATOM 432 C THR A 27 2.115 -6.982 -15.368 1.00 0.00 C ATOM 433 O THR A 27 3.207 -7.421 -15.661 1.00 0.00 O ATOM 434 CB THR A 27 1.905 -4.645 -16.278 1.00 0.00 C ATOM 435 OG1 THR A 27 3.315 -4.759 -16.397 1.00 0.00 O ATOM 436 CG2 THR A 27 1.830 -4.018 -14.917 1.00 0.00 C ATOM 0 H THR A 27 -0.341 -5.675 -15.049 1.00 0.00 H new ATOM 0 HA THR A 27 1.418 -6.479 -17.346 1.00 0.00 H new ATOM 0 HB THR A 27 1.358 -4.080 -17.033 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.719 -3.867 -16.368 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.253 -3.014 -14.955 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.789 -3.962 -14.599 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.394 -4.622 -14.206 1.00 0.00 H new ATOM 444 N LYS A 28 1.525 -7.200 -14.228 1.00 0.00 N ATOM 445 CA LYS A 28 2.070 -8.037 -13.115 1.00 0.00 C ATOM 446 C LYS A 28 3.338 -7.531 -12.407 1.00 0.00 C ATOM 447 O LYS A 28 4.136 -8.273 -11.866 1.00 0.00 O ATOM 448 CB LYS A 28 2.324 -9.482 -13.657 1.00 0.00 C ATOM 449 CG LYS A 28 0.988 -10.204 -13.940 1.00 0.00 C ATOM 450 CD LYS A 28 1.268 -11.773 -14.038 1.00 0.00 C ATOM 451 CE LYS A 28 2.001 -12.302 -12.789 1.00 0.00 C ATOM 452 NZ LYS A 28 1.229 -11.808 -11.605 1.00 0.00 N ATOM 0 H LYS A 28 0.614 -6.799 -14.006 1.00 0.00 H new ATOM 0 HA LYS A 28 1.305 -7.994 -12.340 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.917 -9.434 -14.570 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.903 -10.051 -12.930 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.270 -9.997 -13.146 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.550 -9.839 -14.869 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.324 -12.304 -14.158 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.865 -11.981 -14.926 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.045 -13.391 -12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.029 -11.941 -12.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.268 -12.517 -10.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.643 -10.915 -11.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.238 -11.648 -11.879 1.00 0.00 H new ATOM 466 N SER A 29 3.428 -6.248 -12.436 1.00 0.00 N ATOM 467 CA SER A 29 4.532 -5.451 -11.836 1.00 0.00 C ATOM 468 C SER A 29 3.761 -4.253 -11.212 1.00 0.00 C ATOM 469 O SER A 29 2.570 -4.373 -10.979 1.00 0.00 O ATOM 470 CB SER A 29 5.483 -5.023 -12.980 1.00 0.00 C ATOM 471 OG SER A 29 6.392 -4.088 -12.394 1.00 0.00 O ATOM 0 H SER A 29 2.723 -5.666 -12.889 1.00 0.00 H new ATOM 0 HA SER A 29 5.153 -5.960 -11.098 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.014 -5.882 -13.390 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.929 -4.569 -13.801 1.00 0.00 H new ATOM 0 HG SER A 29 7.027 -3.779 -13.074 1.00 0.00 H new ATOM 477 N CYS A 30 4.380 -3.140 -10.959 1.00 0.00 N ATOM 478 CA CYS A 30 3.639 -1.987 -10.363 1.00 0.00 C ATOM 479 C CYS A 30 3.753 -0.682 -11.154 1.00 0.00 C ATOM 480 O CYS A 30 4.670 -0.423 -11.911 1.00 0.00 O ATOM 481 CB CYS A 30 4.140 -1.788 -8.930 1.00 0.00 C ATOM 482 SG CYS A 30 3.730 -3.147 -7.818 1.00 0.00 S ATOM 0 H CYS A 30 5.370 -2.972 -11.138 1.00 0.00 H new ATOM 0 HA CYS A 30 2.578 -2.237 -10.387 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.222 -1.660 -8.948 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.717 -0.866 -8.532 1.00 0.00 H new ATOM 487 N ALA A 31 2.775 0.125 -10.916 1.00 0.00 N ATOM 488 CA ALA A 31 2.655 1.446 -11.562 1.00 0.00 C ATOM 489 C ALA A 31 2.461 2.434 -10.409 1.00 0.00 C ATOM 490 O ALA A 31 2.353 2.041 -9.267 1.00 0.00 O ATOM 491 CB ALA A 31 1.451 1.344 -12.524 1.00 0.00 C ATOM 0 H ALA A 31 2.017 -0.088 -10.268 1.00 0.00 H new ATOM 0 HA ALA A 31 3.511 1.774 -12.152 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.311 2.297 -13.034 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.639 0.562 -13.260 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.552 1.101 -11.957 1.00 0.00 H new ATOM 497 N ARG A 32 2.406 3.678 -10.733 1.00 0.00 N ATOM 498 CA ARG A 32 2.225 4.727 -9.700 1.00 0.00 C ATOM 499 C ARG A 32 0.854 5.413 -9.746 1.00 0.00 C ATOM 500 O ARG A 32 0.277 5.612 -10.796 1.00 0.00 O ATOM 501 CB ARG A 32 3.394 5.709 -9.906 1.00 0.00 C ATOM 502 CG ARG A 32 4.376 5.564 -8.706 1.00 0.00 C ATOM 503 CD ARG A 32 5.732 6.142 -9.052 1.00 0.00 C ATOM 504 NE ARG A 32 6.269 5.192 -10.093 1.00 0.00 N ATOM 505 CZ ARG A 32 6.559 5.517 -11.276 1.00 0.00 C ATOM 506 NH1 ARG A 32 7.341 6.478 -11.459 1.00 0.00 N ATOM 507 NH2 ARG A 32 6.039 4.845 -12.193 1.00 0.00 N ATOM 0 H ARG A 32 2.480 4.027 -11.688 1.00 0.00 H new ATOM 0 HA ARG A 32 2.240 4.289 -8.702 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.907 5.496 -10.844 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.023 6.732 -9.971 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.969 6.075 -7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.480 4.512 -8.440 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.648 7.157 -9.441 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.382 6.189 -8.179 1.00 0.00 H new ATOM 0 HE ARG A 32 6.407 4.219 -9.821 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.729 6.979 -10.660 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.590 6.759 -12.407 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.412 4.073 -11.967 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.242 5.068 -13.167 1.00 0.00 H new ATOM 521 N PHE A 33 0.401 5.738 -8.577 1.00 0.00 N ATOM 522 CA PHE A 33 -0.923 6.418 -8.401 1.00 0.00 C ATOM 523 C PHE A 33 -0.870 7.317 -7.132 1.00 0.00 C ATOM 524 O PHE A 33 0.198 7.484 -6.571 1.00 0.00 O ATOM 525 CB PHE A 33 -1.997 5.266 -8.351 1.00 0.00 C ATOM 526 CG PHE A 33 -2.092 4.579 -7.002 1.00 0.00 C ATOM 527 CD1 PHE A 33 -1.025 3.909 -6.457 1.00 0.00 C ATOM 528 CD2 PHE A 33 -3.281 4.626 -6.318 1.00 0.00 C ATOM 529 CE1 PHE A 33 -1.153 3.291 -5.238 1.00 0.00 C ATOM 530 CE2 PHE A 33 -3.413 4.014 -5.104 1.00 0.00 C ATOM 531 CZ PHE A 33 -2.344 3.342 -4.560 1.00 0.00 C ATOM 0 H PHE A 33 0.900 5.560 -7.705 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.186 7.094 -9.214 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.972 5.679 -8.608 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.756 4.523 -9.111 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.085 3.868 -6.987 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.122 5.153 -6.744 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.313 2.763 -4.811 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.353 4.058 -4.574 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.442 2.855 -3.601 1.00 0.00 H new ATOM 541 N TRP A 34 -1.977 7.846 -6.708 1.00 0.00 N ATOM 542 CA TRP A 34 -2.031 8.738 -5.500 1.00 0.00 C ATOM 543 C TRP A 34 -2.722 8.046 -4.279 1.00 0.00 C ATOM 544 O TRP A 34 -3.099 6.890 -4.299 1.00 0.00 O ATOM 545 CB TRP A 34 -2.812 10.033 -5.982 1.00 0.00 C ATOM 546 CG TRP A 34 -2.102 10.843 -7.048 1.00 0.00 C ATOM 547 CD1 TRP A 34 -2.583 10.777 -8.284 1.00 0.00 C ATOM 548 CD2 TRP A 34 -1.038 11.673 -6.994 1.00 0.00 C ATOM 549 NE1 TRP A 34 -1.788 11.579 -8.970 1.00 0.00 N ATOM 550 CE2 TRP A 34 -0.826 12.167 -8.279 1.00 0.00 C ATOM 551 CE3 TRP A 34 -0.195 12.089 -5.961 1.00 0.00 C ATOM 552 CZ2 TRP A 34 0.203 13.059 -8.536 1.00 0.00 C ATOM 553 CZ3 TRP A 34 0.841 12.986 -6.214 1.00 0.00 C ATOM 554 CH2 TRP A 34 1.042 13.473 -7.503 1.00 0.00 C ATOM 0 H TRP A 34 -2.881 7.698 -7.157 1.00 0.00 H new ATOM 0 HA TRP A 34 -1.033 8.983 -5.136 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -3.787 9.731 -6.364 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -2.993 10.674 -5.119 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -3.425 10.204 -8.643 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -1.909 11.735 -9.971 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.347 11.713 -4.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 0.355 13.434 -9.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.488 13.304 -5.410 1.00 0.00 H new ATOM 0 HH2 TRP A 34 1.844 14.168 -7.701 1.00 0.00 H new ATOM 565 N TYR A 35 -2.844 8.781 -3.214 1.00 0.00 N ATOM 566 CA TYR A 35 -3.497 8.279 -1.966 1.00 0.00 C ATOM 567 C TYR A 35 -4.618 9.263 -1.482 1.00 0.00 C ATOM 568 O TYR A 35 -4.917 10.256 -2.118 1.00 0.00 O ATOM 569 CB TYR A 35 -2.367 8.100 -0.921 1.00 0.00 C ATOM 570 CG TYR A 35 -2.910 7.427 0.339 1.00 0.00 C ATOM 571 CD1 TYR A 35 -3.674 6.281 0.273 1.00 0.00 C ATOM 572 CD2 TYR A 35 -2.637 7.978 1.568 1.00 0.00 C ATOM 573 CE1 TYR A 35 -4.151 5.705 1.434 1.00 0.00 C ATOM 574 CE2 TYR A 35 -3.118 7.396 2.722 1.00 0.00 C ATOM 575 CZ TYR A 35 -3.876 6.258 2.654 1.00 0.00 C ATOM 576 OH TYR A 35 -4.375 5.648 3.777 1.00 0.00 O ATOM 0 H TYR A 35 -2.508 9.742 -3.150 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.003 7.328 -2.133 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.563 7.498 -1.345 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.940 9.070 -0.668 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.899 5.835 -0.684 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.040 8.876 1.631 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.748 4.807 1.378 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.896 7.839 3.682 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.802 6.318 4.351 1.00 0.00 H new ATOM 586 N GLY A 36 -5.227 8.962 -0.370 1.00 0.00 N ATOM 587 CA GLY A 36 -6.328 9.818 0.217 1.00 0.00 C ATOM 588 C GLY A 36 -6.099 10.295 1.648 1.00 0.00 C ATOM 589 O GLY A 36 -6.389 11.428 1.966 1.00 0.00 O ATOM 0 H GLY A 36 -5.008 8.133 0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.464 10.691 -0.421 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.259 9.252 0.186 1.00 0.00 H new ATOM 593 N GLY A 37 -5.593 9.418 2.465 1.00 0.00 N ATOM 594 CA GLY A 37 -5.299 9.697 3.929 1.00 0.00 C ATOM 595 C GLY A 37 -6.078 8.721 4.820 1.00 0.00 C ATOM 596 O GLY A 37 -5.522 7.724 5.226 1.00 0.00 O ATOM 0 H GLY A 37 -5.354 8.469 2.178 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.230 9.600 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.574 10.723 4.174 1.00 0.00 H new ATOM 600 N CYS A 38 -7.322 9.024 5.082 1.00 0.00 N ATOM 601 CA CYS A 38 -8.272 8.204 5.928 1.00 0.00 C ATOM 602 C CYS A 38 -7.968 6.682 5.961 1.00 0.00 C ATOM 603 O CYS A 38 -8.012 6.000 6.965 1.00 0.00 O ATOM 604 CB CYS A 38 -9.695 8.407 5.380 1.00 0.00 C ATOM 605 SG CYS A 38 -10.454 10.042 5.206 1.00 0.00 S ATOM 0 H CYS A 38 -7.757 9.872 4.718 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.156 8.556 6.953 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.715 7.948 4.391 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.359 7.822 6.016 1.00 0.00 H new ATOM 610 N GLY A 39 -7.677 6.239 4.772 1.00 0.00 N ATOM 611 CA GLY A 39 -7.342 4.808 4.453 1.00 0.00 C ATOM 612 C GLY A 39 -7.765 4.435 3.023 1.00 0.00 C ATOM 613 O GLY A 39 -8.166 5.289 2.252 1.00 0.00 O ATOM 0 H GLY A 39 -7.655 6.846 3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.270 4.650 4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.840 4.149 5.164 1.00 0.00 H new ATOM 617 N GLY A 40 -7.656 3.168 2.747 1.00 0.00 N ATOM 618 CA GLY A 40 -8.002 2.533 1.409 1.00 0.00 C ATOM 619 C GLY A 40 -7.546 1.065 1.448 1.00 0.00 C ATOM 620 O GLY A 40 -7.517 0.491 2.514 1.00 0.00 O ATOM 0 H GLY A 40 -7.320 2.490 3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.074 2.594 1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.508 3.064 0.596 1.00 0.00 H new ATOM 624 N ASN A 41 -7.202 0.466 0.346 1.00 0.00 N ATOM 625 CA ASN A 41 -6.749 -0.974 0.360 1.00 0.00 C ATOM 626 C ASN A 41 -5.201 -1.193 0.451 1.00 0.00 C ATOM 627 O ASN A 41 -4.415 -0.304 0.174 1.00 0.00 O ATOM 628 CB ASN A 41 -7.321 -1.640 -0.932 1.00 0.00 C ATOM 629 CG ASN A 41 -6.704 -1.076 -2.208 1.00 0.00 C ATOM 630 OD1 ASN A 41 -5.530 -0.799 -2.288 1.00 0.00 O ATOM 631 ND2 ASN A 41 -7.426 -0.885 -3.252 1.00 0.00 N ATOM 0 H ASN A 41 -7.211 0.904 -0.575 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.128 -1.430 1.275 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.143 -2.715 -0.891 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.401 -1.497 -0.962 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.004 -0.514 -4.103 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.422 -1.105 -3.231 1.00 0.00 H new ATOM 638 N GLU A 42 -4.839 -2.388 0.825 1.00 0.00 N ATOM 639 CA GLU A 42 -3.401 -2.827 0.983 1.00 0.00 C ATOM 640 C GLU A 42 -2.496 -2.857 -0.288 1.00 0.00 C ATOM 641 O GLU A 42 -1.540 -3.602 -0.378 1.00 0.00 O ATOM 642 CB GLU A 42 -3.475 -4.224 1.632 1.00 0.00 C ATOM 643 CG GLU A 42 -4.097 -4.133 3.077 1.00 0.00 C ATOM 644 CD GLU A 42 -3.199 -3.454 4.116 1.00 0.00 C ATOM 645 OE1 GLU A 42 -2.092 -3.072 3.780 1.00 0.00 O ATOM 646 OE2 GLU A 42 -3.715 -3.375 5.212 1.00 0.00 O ATOM 0 H GLU A 42 -5.511 -3.124 1.041 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.898 -2.066 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.078 -4.887 1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.477 -4.659 1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.039 -3.588 3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.332 -5.140 3.421 1.00 0.00 H new ATOM 653 N ASN A 43 -2.801 -2.054 -1.271 1.00 0.00 N ATOM 654 CA ASN A 43 -1.966 -2.027 -2.527 1.00 0.00 C ATOM 655 C ASN A 43 -1.400 -0.611 -2.790 1.00 0.00 C ATOM 656 O ASN A 43 -1.626 0.019 -3.804 1.00 0.00 O ATOM 657 CB ASN A 43 -2.932 -2.558 -3.580 1.00 0.00 C ATOM 658 CG ASN A 43 -2.284 -2.820 -4.918 1.00 0.00 C ATOM 659 OD1 ASN A 43 -1.097 -2.967 -5.062 1.00 0.00 O ATOM 660 ND2 ASN A 43 -3.020 -2.899 -5.966 1.00 0.00 N ATOM 0 H ASN A 43 -3.592 -1.411 -1.267 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.060 -2.632 -2.496 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.381 -3.482 -3.216 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.742 -1.841 -3.712 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.595 -3.080 -6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.030 -2.781 -5.890 1.00 0.00 H new ATOM 667 N LYS A 44 -0.671 -0.144 -1.815 1.00 0.00 N ATOM 668 CA LYS A 44 -0.032 1.229 -1.888 1.00 0.00 C ATOM 669 C LYS A 44 1.378 1.306 -1.247 1.00 0.00 C ATOM 670 O LYS A 44 1.540 1.600 -0.074 1.00 0.00 O ATOM 671 CB LYS A 44 -1.030 2.274 -1.203 1.00 0.00 C ATOM 672 CG LYS A 44 -2.514 1.837 -1.351 1.00 0.00 C ATOM 673 CD LYS A 44 -3.486 3.034 -1.119 1.00 0.00 C ATOM 674 CE LYS A 44 -4.932 2.538 -1.221 1.00 0.00 C ATOM 675 NZ LYS A 44 -5.135 1.979 -2.584 1.00 0.00 N ATOM 0 H LYS A 44 -0.480 -0.653 -0.952 1.00 0.00 H new ATOM 0 HA LYS A 44 0.129 1.468 -2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.784 2.372 -0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.894 3.257 -1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.675 1.423 -2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.734 1.044 -0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.309 3.476 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.304 3.814 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.127 1.778 -0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.629 3.356 -1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.935 2.461 -3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.274 2.123 -3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.338 0.961 -2.515 1.00 0.00 H new ATOM 689 N PHE A 45 2.372 1.098 -2.055 1.00 0.00 N ATOM 690 CA PHE A 45 3.805 1.105 -1.613 1.00 0.00 C ATOM 691 C PHE A 45 4.592 2.400 -1.873 1.00 0.00 C ATOM 692 O PHE A 45 4.124 3.298 -2.542 1.00 0.00 O ATOM 693 CB PHE A 45 4.456 -0.100 -2.346 1.00 0.00 C ATOM 694 CG PHE A 45 3.563 -1.332 -2.176 1.00 0.00 C ATOM 695 CD1 PHE A 45 3.457 -1.912 -0.939 1.00 0.00 C ATOM 696 CD2 PHE A 45 2.846 -1.860 -3.236 1.00 0.00 C ATOM 697 CE1 PHE A 45 2.649 -3.001 -0.743 1.00 0.00 C ATOM 698 CE2 PHE A 45 2.032 -2.957 -3.043 1.00 0.00 C ATOM 699 CZ PHE A 45 1.936 -3.526 -1.795 1.00 0.00 C ATOM 0 H PHE A 45 2.252 0.914 -3.051 1.00 0.00 H new ATOM 0 HA PHE A 45 3.834 1.033 -0.526 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.584 0.128 -3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.448 -0.296 -1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.017 -1.506 -0.109 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.924 -1.412 -4.216 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.572 -3.447 0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.472 -3.368 -3.870 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.300 -4.385 -1.641 1.00 0.00 H new ATOM 709 N GLY A 46 5.759 2.445 -1.308 1.00 0.00 N ATOM 710 CA GLY A 46 6.705 3.621 -1.447 1.00 0.00 C ATOM 711 C GLY A 46 7.662 3.430 -2.640 1.00 0.00 C ATOM 712 O GLY A 46 8.003 4.390 -3.304 1.00 0.00 O ATOM 0 H GLY A 46 6.126 1.691 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.132 4.538 -1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.282 3.737 -0.530 1.00 0.00 H new ATOM 716 N SER A 47 8.080 2.224 -2.915 1.00 0.00 N ATOM 717 CA SER A 47 9.017 1.982 -4.078 1.00 0.00 C ATOM 718 C SER A 47 8.736 0.678 -4.823 1.00 0.00 C ATOM 719 O SER A 47 8.010 -0.189 -4.364 1.00 0.00 O ATOM 720 CB SER A 47 10.530 1.958 -3.629 1.00 0.00 C ATOM 721 OG SER A 47 11.246 1.779 -4.861 1.00 0.00 O ATOM 0 H SER A 47 7.820 1.388 -2.391 1.00 0.00 H new ATOM 0 HA SER A 47 8.833 2.822 -4.748 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.815 2.885 -3.131 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.728 1.146 -2.929 1.00 0.00 H new ATOM 0 HG SER A 47 12.209 1.753 -4.679 1.00 0.00 H new ATOM 727 N GLN A 48 9.325 0.558 -5.983 1.00 0.00 N ATOM 728 CA GLN A 48 9.149 -0.671 -6.825 1.00 0.00 C ATOM 729 C GLN A 48 9.469 -1.885 -5.926 1.00 0.00 C ATOM 730 O GLN A 48 8.902 -2.944 -6.040 1.00 0.00 O ATOM 731 CB GLN A 48 10.129 -0.622 -8.025 1.00 0.00 C ATOM 732 CG GLN A 48 9.901 -1.918 -8.914 1.00 0.00 C ATOM 733 CD GLN A 48 11.167 -2.337 -9.642 1.00 0.00 C ATOM 734 OE1 GLN A 48 12.165 -2.679 -9.050 1.00 0.00 O ATOM 735 NE2 GLN A 48 11.222 -2.343 -10.923 1.00 0.00 N ATOM 0 H GLN A 48 9.931 1.269 -6.393 1.00 0.00 H new ATOM 0 HA GLN A 48 8.134 -0.740 -7.217 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.959 0.278 -8.616 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.159 -0.581 -7.671 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.559 -2.737 -8.281 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.112 -1.725 -9.640 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.408 -2.063 -11.470 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.080 -2.627 -11.395 1.00 0.00 H new ATOM 744 N LYS A 49 10.396 -1.692 -5.031 1.00 0.00 N ATOM 745 CA LYS A 49 10.791 -2.784 -4.109 1.00 0.00 C ATOM 746 C LYS A 49 9.668 -3.217 -3.180 1.00 0.00 C ATOM 747 O LYS A 49 9.386 -4.399 -3.184 1.00 0.00 O ATOM 748 CB LYS A 49 12.065 -2.261 -3.388 1.00 0.00 C ATOM 749 CG LYS A 49 13.408 -2.673 -4.116 1.00 0.00 C ATOM 750 CD LYS A 49 13.403 -2.630 -5.709 1.00 0.00 C ATOM 751 CE LYS A 49 12.573 -3.791 -6.289 1.00 0.00 C ATOM 752 NZ LYS A 49 13.255 -4.380 -7.461 1.00 0.00 N ATOM 0 H LYS A 49 10.900 -0.815 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 49 11.009 -3.710 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.015 -1.174 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.080 -2.644 -2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 49 14.202 -2.017 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.667 -3.685 -3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.993 -1.679 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.426 -2.688 -6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.423 -4.555 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.586 -3.431 -6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.936 -5.361 -7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.026 -3.826 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.283 -4.368 -7.307 1.00 0.00 H new ATOM 766 N GLU A 50 9.055 -2.362 -2.416 1.00 0.00 N ATOM 767 CA GLU A 50 7.946 -2.845 -1.547 1.00 0.00 C ATOM 768 C GLU A 50 7.005 -3.656 -2.432 1.00 0.00 C ATOM 769 O GLU A 50 6.713 -4.805 -2.195 1.00 0.00 O ATOM 770 CB GLU A 50 7.269 -1.670 -1.014 1.00 0.00 C ATOM 771 CG GLU A 50 8.125 -1.015 0.054 1.00 0.00 C ATOM 772 CD GLU A 50 8.636 0.271 -0.539 1.00 0.00 C ATOM 773 OE1 GLU A 50 9.670 0.204 -1.170 1.00 0.00 O ATOM 774 OE2 GLU A 50 7.917 1.228 -0.342 1.00 0.00 O ATOM 0 H GLU A 50 9.267 -1.366 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 50 8.295 -3.465 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.069 -0.960 -1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.305 -1.956 -0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.542 -0.822 0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.951 -1.665 0.342 1.00 0.00 H new ATOM 781 N CYS A 51 6.581 -2.996 -3.465 1.00 0.00 N ATOM 782 CA CYS A 51 5.656 -3.631 -4.448 1.00 0.00 C ATOM 783 C CYS A 51 6.133 -5.074 -4.794 1.00 0.00 C ATOM 784 O CYS A 51 5.516 -6.088 -4.524 1.00 0.00 O ATOM 785 CB CYS A 51 5.668 -2.743 -5.679 1.00 0.00 C ATOM 786 SG CYS A 51 5.589 -3.639 -7.244 1.00 0.00 S ATOM 0 H CYS A 51 6.836 -2.032 -3.677 1.00 0.00 H new ATOM 0 HA CYS A 51 4.648 -3.723 -4.044 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.824 -2.056 -5.625 1.00 0.00 H new ATOM 0 HB3 CYS A 51 6.574 -2.137 -5.666 1.00 0.00 H new ATOM 791 N GLU A 52 7.288 -5.095 -5.391 1.00 0.00 N ATOM 792 CA GLU A 52 7.955 -6.344 -5.828 1.00 0.00 C ATOM 793 C GLU A 52 8.039 -7.390 -4.726 1.00 0.00 C ATOM 794 O GLU A 52 7.761 -8.549 -4.912 1.00 0.00 O ATOM 795 CB GLU A 52 9.345 -5.925 -6.325 1.00 0.00 C ATOM 796 CG GLU A 52 10.163 -7.132 -6.900 1.00 0.00 C ATOM 797 CD GLU A 52 11.604 -6.742 -7.097 1.00 0.00 C ATOM 798 OE1 GLU A 52 12.330 -6.779 -6.124 1.00 0.00 O ATOM 799 OE2 GLU A 52 11.962 -6.399 -8.199 1.00 0.00 O ATOM 0 H GLU A 52 7.821 -4.251 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 52 7.377 -6.829 -6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.237 -5.162 -7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.900 -5.472 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.099 -7.981 -6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.733 -7.452 -7.849 1.00 0.00 H new ATOM 806 N LYS A 53 8.413 -6.986 -3.561 1.00 0.00 N ATOM 807 CA LYS A 53 8.518 -7.994 -2.468 1.00 0.00 C ATOM 808 C LYS A 53 7.197 -8.357 -1.760 1.00 0.00 C ATOM 809 O LYS A 53 7.067 -9.439 -1.229 1.00 0.00 O ATOM 810 CB LYS A 53 9.588 -7.420 -1.490 1.00 0.00 C ATOM 811 CG LYS A 53 10.668 -8.512 -1.210 1.00 0.00 C ATOM 812 CD LYS A 53 11.746 -8.635 -2.364 1.00 0.00 C ATOM 813 CE LYS A 53 11.157 -8.838 -3.782 1.00 0.00 C ATOM 814 NZ LYS A 53 12.258 -9.226 -4.688 1.00 0.00 N ATOM 0 H LYS A 53 8.648 -6.026 -3.310 1.00 0.00 H new ATOM 0 HA LYS A 53 8.805 -8.958 -2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.053 -6.534 -1.921 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.116 -7.111 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.174 -8.281 -0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.175 -9.475 -1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.360 -7.734 -2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.407 -9.471 -2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.387 -9.610 -3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.682 -7.921 -4.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.886 -9.833 -5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.682 -8.373 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.982 -9.746 -4.152 1.00 0.00 H new ATOM 828 N VAL A 54 6.265 -7.458 -1.763 1.00 0.00 N ATOM 829 CA VAL A 54 4.941 -7.695 -1.120 1.00 0.00 C ATOM 830 C VAL A 54 4.083 -8.575 -2.079 1.00 0.00 C ATOM 831 O VAL A 54 3.361 -9.448 -1.638 1.00 0.00 O ATOM 832 CB VAL A 54 4.375 -6.277 -0.856 1.00 0.00 C ATOM 833 CG1 VAL A 54 2.970 -6.402 -0.282 1.00 0.00 C ATOM 834 CG2 VAL A 54 5.224 -5.540 0.220 1.00 0.00 C ATOM 0 H VAL A 54 6.363 -6.540 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 54 4.971 -8.243 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 54 4.387 -5.728 -1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.564 -5.408 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.331 -6.925 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.007 -6.962 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.811 -4.546 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.204 -6.107 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.253 -5.450 -0.127 1.00 0.00 H new ATOM 844 N CYS A 55 4.189 -8.315 -3.359 1.00 0.00 N ATOM 845 CA CYS A 55 3.431 -9.088 -4.408 1.00 0.00 C ATOM 846 C CYS A 55 4.316 -10.053 -5.273 1.00 0.00 C ATOM 847 O CYS A 55 3.857 -11.107 -5.674 1.00 0.00 O ATOM 848 CB CYS A 55 2.703 -8.031 -5.270 1.00 0.00 C ATOM 849 SG CYS A 55 1.414 -7.124 -4.384 1.00 0.00 S ATOM 0 H CYS A 55 4.785 -7.579 -3.736 1.00 0.00 H new ATOM 0 HA CYS A 55 2.732 -9.770 -3.924 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.436 -7.321 -5.652 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.258 -8.525 -6.134 1.00 0.00 H new ATOM 854 N ALA A 56 5.548 -9.713 -5.564 1.00 0.00 N ATOM 855 CA ALA A 56 6.439 -10.625 -6.386 1.00 0.00 C ATOM 856 C ALA A 56 7.516 -11.379 -5.505 1.00 0.00 C ATOM 857 O ALA A 56 8.669 -10.997 -5.486 1.00 0.00 O ATOM 858 CB ALA A 56 7.137 -9.768 -7.451 1.00 0.00 C ATOM 0 H ALA A 56 5.987 -8.840 -5.271 1.00 0.00 H new ATOM 0 HA ALA A 56 5.820 -11.397 -6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.786 -10.399 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.388 -9.298 -8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.734 -8.997 -6.964 1.00 0.00 H new ATOM 864 N PRO A 57 7.116 -12.418 -4.802 1.00 0.00 N ATOM 865 CA PRO A 57 7.963 -13.105 -3.747 1.00 0.00 C ATOM 866 C PRO A 57 9.421 -13.643 -4.047 1.00 0.00 C ATOM 867 O PRO A 57 9.698 -14.813 -3.853 1.00 0.00 O ATOM 868 CB PRO A 57 6.988 -14.214 -3.248 1.00 0.00 C ATOM 869 CG PRO A 57 6.112 -14.488 -4.498 1.00 0.00 C ATOM 870 CD PRO A 57 5.779 -13.071 -4.960 1.00 0.00 C ATOM 0 HA PRO A 57 8.294 -12.350 -3.034 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.523 -15.107 -2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.390 -13.876 -2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.651 -15.051 -5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.217 -15.060 -4.253 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.422 -13.043 -5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.012 -12.602 -4.343 1.00 0.00 H new ATOM 878 N VAL A 58 10.285 -12.784 -4.506 1.00 0.00 N ATOM 879 CA VAL A 58 11.715 -13.117 -4.839 1.00 0.00 C ATOM 880 C VAL A 58 12.630 -11.915 -4.438 1.00 0.00 C ATOM 881 O VAL A 58 13.430 -11.434 -5.222 1.00 0.00 O ATOM 882 CB VAL A 58 11.806 -13.440 -6.396 1.00 0.00 C ATOM 883 CG1 VAL A 58 11.050 -14.744 -6.694 1.00 0.00 C ATOM 884 CG2 VAL A 58 11.121 -12.341 -7.233 1.00 0.00 C ATOM 885 OXT VAL A 58 12.504 -11.461 -3.319 1.00 0.00 O ATOM 0 H VAL A 58 10.051 -11.806 -4.676 1.00 0.00 H new ATOM 0 HA VAL A 58 12.056 -13.991 -4.284 1.00 0.00 H new ATOM 0 HB VAL A 58 12.863 -13.511 -6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.112 -14.965 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 58 11.496 -15.561 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.004 -14.632 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.199 -12.588 -8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 58 10.070 -12.272 -6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.609 -11.384 -7.047 1.00 0.00 H new TER 895 VAL A 58