USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=17 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 NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 32:sc= 0.467 USER MOD Single : A 5 SER OG : rot 42:sc= 0.399 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.76) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.301 K(o=-0.3,f=-7.5!) USER MOD Single : A 16 ASN : amide:sc= -0.445 X(o=-0.45,f=-0.87) USER MOD Single : A 19 THR OG1 : rot 96:sc= 1.14 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.314 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 99:sc= 0.0734 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -5.97! C(o=-6!,f=-10!) USER MOD Single : A 44 TYR OH : rot 30:sc= 0.116 USER MOD Single : A 51 THR OG1 : rot 10:sc= 0.542 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 24:sc= 0.281 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.784 -30.368 -27.682 1.00 0.00 N ATOM 2 CA GLY A 1 -31.362 -29.858 -26.390 1.00 0.00 C ATOM 3 C GLY A 1 -31.520 -28.355 -26.280 1.00 0.00 C ATOM 4 O GLY A 1 -31.892 -27.690 -27.247 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.547 -31.062 -27.549 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.129 -29.582 -28.269 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.978 -30.825 -28.155 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.945 -30.340 -25.605 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.318 -30.124 -26.221 1.00 0.00 H new ATOM 8 N SER A 2 -31.238 -27.817 -25.098 1.00 0.00 N ATOM 9 CA SER A 2 -31.357 -26.383 -24.863 1.00 0.00 C ATOM 10 C SER A 2 -30.478 -25.949 -23.693 1.00 0.00 C ATOM 11 O SER A 2 -30.309 -26.688 -22.723 1.00 0.00 O ATOM 12 CB SER A 2 -32.814 -26.008 -24.587 1.00 0.00 C ATOM 13 OG SER A 2 -33.049 -24.637 -24.859 1.00 0.00 O ATOM 0 H SER A 2 -30.925 -28.353 -24.288 1.00 0.00 H new ATOM 0 HA SER A 2 -31.020 -25.864 -25.761 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.473 -26.622 -25.201 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.057 -26.222 -23.546 1.00 0.00 H new ATOM 0 HG SER A 2 -33.988 -24.423 -24.676 1.00 0.00 H new ATOM 19 N SER A 3 -29.922 -24.747 -23.793 1.00 0.00 N ATOM 20 CA SER A 3 -29.057 -24.215 -22.746 1.00 0.00 C ATOM 21 C SER A 3 -29.026 -22.690 -22.789 1.00 0.00 C ATOM 22 O SER A 3 -29.462 -22.076 -23.762 1.00 0.00 O ATOM 23 CB SER A 3 -27.639 -24.770 -22.895 1.00 0.00 C ATOM 24 OG SER A 3 -27.499 -26.002 -22.211 1.00 0.00 O ATOM 0 H SER A 3 -30.055 -24.122 -24.588 1.00 0.00 H new ATOM 0 HA SER A 3 -29.461 -24.526 -21.783 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.409 -24.909 -23.951 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.920 -24.050 -22.504 1.00 0.00 H new ATOM 0 HG SER A 3 -28.353 -26.482 -22.223 1.00 0.00 H new ATOM 30 N GLY A 4 -28.507 -22.085 -21.725 1.00 0.00 N ATOM 31 CA GLY A 4 -28.429 -20.637 -21.660 1.00 0.00 C ATOM 32 C GLY A 4 -29.531 -20.034 -20.812 1.00 0.00 C ATOM 33 O GLY A 4 -30.456 -19.412 -21.335 1.00 0.00 O ATOM 0 H GLY A 4 -28.139 -22.571 -20.907 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.461 -20.346 -21.252 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.486 -20.228 -22.669 1.00 0.00 H new ATOM 37 N SER A 5 -29.434 -20.219 -19.499 1.00 0.00 N ATOM 38 CA SER A 5 -30.434 -19.693 -18.577 1.00 0.00 C ATOM 39 C SER A 5 -30.132 -18.241 -18.219 1.00 0.00 C ATOM 40 O SER A 5 -29.090 -17.938 -17.637 1.00 0.00 O ATOM 41 CB SER A 5 -30.484 -20.544 -17.307 1.00 0.00 C ATOM 42 OG SER A 5 -29.220 -20.583 -16.668 1.00 0.00 O ATOM 0 H SER A 5 -28.673 -20.729 -19.050 1.00 0.00 H new ATOM 0 HA SER A 5 -31.405 -19.733 -19.071 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.228 -20.137 -16.622 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.800 -21.557 -17.557 1.00 0.00 H new ATOM 0 HG SER A 5 -28.816 -19.690 -16.687 1.00 0.00 H new ATOM 48 N SER A 6 -31.051 -17.348 -18.571 1.00 0.00 N ATOM 49 CA SER A 6 -30.882 -15.927 -18.291 1.00 0.00 C ATOM 50 C SER A 6 -31.313 -15.600 -16.864 1.00 0.00 C ATOM 51 O SER A 6 -32.393 -15.991 -16.425 1.00 0.00 O ATOM 52 CB SER A 6 -31.691 -15.090 -19.284 1.00 0.00 C ATOM 53 OG SER A 6 -31.467 -13.705 -19.085 1.00 0.00 O ATOM 0 H SER A 6 -31.920 -17.583 -19.050 1.00 0.00 H new ATOM 0 HA SER A 6 -29.825 -15.684 -18.398 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.417 -15.363 -20.303 1.00 0.00 H new ATOM 0 HB3 SER A 6 -32.752 -15.310 -19.170 1.00 0.00 H new ATOM 0 HG SER A 6 -31.994 -13.192 -19.733 1.00 0.00 H new ATOM 59 N GLY A 7 -30.458 -14.879 -16.145 1.00 0.00 N ATOM 60 CA GLY A 7 -30.767 -14.511 -14.776 1.00 0.00 C ATOM 61 C GLY A 7 -30.583 -13.028 -14.518 1.00 0.00 C ATOM 62 O GLY A 7 -30.669 -12.217 -15.440 1.00 0.00 O ATOM 0 H GLY A 7 -29.557 -14.543 -16.486 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.796 -14.791 -14.551 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.128 -15.077 -14.098 1.00 0.00 H new ATOM 66 N GLN A 8 -30.331 -12.674 -13.262 1.00 0.00 N ATOM 67 CA GLN A 8 -30.138 -11.279 -12.887 1.00 0.00 C ATOM 68 C GLN A 8 -28.872 -11.110 -12.052 1.00 0.00 C ATOM 69 O GLN A 8 -28.918 -10.976 -10.830 1.00 0.00 O ATOM 70 CB GLN A 8 -31.349 -10.766 -12.106 1.00 0.00 C ATOM 71 CG GLN A 8 -31.422 -9.250 -12.024 1.00 0.00 C ATOM 72 CD GLN A 8 -31.364 -8.588 -13.386 1.00 0.00 C ATOM 73 OE1 GLN A 8 -30.284 -8.309 -13.908 1.00 0.00 O ATOM 74 NE2 GLN A 8 -32.529 -8.332 -13.971 1.00 0.00 N ATOM 0 H GLN A 8 -30.256 -13.334 -12.488 1.00 0.00 H new ATOM 0 HA GLN A 8 -30.030 -10.695 -13.801 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -32.259 -11.140 -12.575 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -31.320 -11.175 -11.096 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -32.346 -8.961 -11.523 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -30.599 -8.883 -11.411 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -33.400 -8.580 -13.502 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -32.552 -7.887 -14.889 1.00 0.00 H new ATOM 83 N PRO A 9 -27.713 -11.116 -12.727 1.00 0.00 N ATOM 84 CA PRO A 9 -26.412 -10.965 -12.068 1.00 0.00 C ATOM 85 C PRO A 9 -26.199 -9.557 -11.522 1.00 0.00 C ATOM 86 O PRO A 9 -26.551 -8.570 -12.169 1.00 0.00 O ATOM 87 CB PRO A 9 -25.411 -11.261 -13.188 1.00 0.00 C ATOM 88 CG PRO A 9 -26.140 -10.935 -14.445 1.00 0.00 C ATOM 89 CD PRO A 9 -27.583 -11.271 -14.186 1.00 0.00 C ATOM 0 HA PRO A 9 -26.314 -11.623 -11.204 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -24.511 -10.655 -13.084 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -25.097 -12.305 -13.172 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -26.024 -9.882 -14.701 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -25.749 -11.512 -15.283 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -28.254 -10.601 -14.723 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -27.823 -12.285 -14.505 1.00 0.00 H new ATOM 97 N SER A 10 -25.622 -9.471 -10.328 1.00 0.00 N ATOM 98 CA SER A 10 -25.366 -8.184 -9.694 1.00 0.00 C ATOM 99 C SER A 10 -24.332 -7.386 -10.483 1.00 0.00 C ATOM 100 O SER A 10 -23.205 -7.829 -10.705 1.00 0.00 O ATOM 101 CB SER A 10 -24.881 -8.387 -8.257 1.00 0.00 C ATOM 102 OG SER A 10 -24.912 -7.170 -7.531 1.00 0.00 O ATOM 0 H SER A 10 -25.323 -10.278 -9.780 1.00 0.00 H new ATOM 0 HA SER A 10 -26.300 -7.622 -9.679 1.00 0.00 H new ATOM 0 HB2 SER A 10 -25.508 -9.127 -7.759 1.00 0.00 H new ATOM 0 HB3 SER A 10 -23.866 -8.783 -8.265 1.00 0.00 H new ATOM 0 HG SER A 10 -24.599 -7.327 -6.616 1.00 0.00 H new ATOM 108 N PRO A 11 -24.724 -6.178 -10.917 1.00 0.00 N ATOM 109 CA PRO A 11 -23.847 -5.292 -11.687 1.00 0.00 C ATOM 110 C PRO A 11 -22.708 -4.728 -10.845 1.00 0.00 C ATOM 111 O PRO A 11 -22.881 -4.380 -9.677 1.00 0.00 O ATOM 112 CB PRO A 11 -24.785 -4.169 -12.138 1.00 0.00 C ATOM 113 CG PRO A 11 -25.876 -4.158 -11.124 1.00 0.00 C ATOM 114 CD PRO A 11 -26.052 -5.586 -10.689 1.00 0.00 C ATOM 0 HA PRO A 11 -23.360 -5.816 -12.509 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -24.267 -3.211 -12.173 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -25.176 -4.357 -13.138 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -25.616 -3.522 -10.278 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -26.799 -3.763 -11.548 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -26.348 -5.654 -9.642 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.823 -6.091 -11.271 1.00 0.00 H new ATOM 122 N PRO A 12 -21.514 -4.633 -11.450 1.00 0.00 N ATOM 123 CA PRO A 12 -20.323 -4.110 -10.773 1.00 0.00 C ATOM 124 C PRO A 12 -20.418 -2.612 -10.509 1.00 0.00 C ATOM 125 O PRO A 12 -20.289 -1.802 -11.427 1.00 0.00 O ATOM 126 CB PRO A 12 -19.194 -4.409 -11.762 1.00 0.00 C ATOM 127 CG PRO A 12 -19.862 -4.472 -13.092 1.00 0.00 C ATOM 128 CD PRO A 12 -21.235 -5.029 -12.840 1.00 0.00 C ATOM 0 HA PRO A 12 -20.179 -4.562 -9.792 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.431 -3.631 -11.739 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.698 -5.350 -11.523 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.920 -3.483 -13.547 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -19.303 -5.107 -13.780 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -21.970 -4.615 -13.531 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -21.258 -6.112 -12.962 1.00 0.00 H new ATOM 136 N GLN A 13 -20.643 -2.250 -9.250 1.00 0.00 N ATOM 137 CA GLN A 13 -20.754 -0.848 -8.866 1.00 0.00 C ATOM 138 C GLN A 13 -19.375 -0.219 -8.694 1.00 0.00 C ATOM 139 O GLN A 13 -19.139 0.533 -7.748 1.00 0.00 O ATOM 140 CB GLN A 13 -21.555 -0.714 -7.570 1.00 0.00 C ATOM 141 CG GLN A 13 -22.977 -1.242 -7.676 1.00 0.00 C ATOM 142 CD GLN A 13 -23.071 -2.727 -7.388 1.00 0.00 C ATOM 143 OE1 GLN A 13 -22.057 -3.424 -7.323 1.00 0.00 O ATOM 144 NE2 GLN A 13 -24.291 -3.221 -7.215 1.00 0.00 N ATOM 0 H GLN A 13 -20.752 -2.908 -8.479 1.00 0.00 H new ATOM 0 HA GLN A 13 -21.276 -0.320 -9.663 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -21.036 -1.249 -6.775 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -21.587 0.336 -7.279 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -23.615 -0.699 -6.978 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -23.360 -1.045 -8.677 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -25.103 -2.607 -7.277 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -24.416 -4.214 -7.020 1.00 0.00 H new ATOM 153 N ARG A 14 -18.468 -0.533 -9.612 1.00 0.00 N ATOM 154 CA ARG A 14 -17.112 -0.001 -9.561 1.00 0.00 C ATOM 155 C ARG A 14 -16.460 -0.303 -8.214 1.00 0.00 C ATOM 156 O ARG A 14 -15.957 0.586 -7.527 1.00 0.00 O ATOM 157 CB ARG A 14 -17.125 1.509 -9.805 1.00 0.00 C ATOM 158 CG ARG A 14 -17.234 1.887 -11.274 1.00 0.00 C ATOM 159 CD ARG A 14 -17.566 3.361 -11.446 1.00 0.00 C ATOM 160 NE ARG A 14 -17.618 3.750 -12.853 1.00 0.00 N ATOM 161 CZ ARG A 14 -18.098 4.913 -13.277 1.00 0.00 C ATOM 162 NH1 ARG A 14 -18.565 5.798 -12.407 1.00 0.00 N ATOM 163 NH2 ARG A 14 -18.112 5.194 -14.574 1.00 0.00 N ATOM 0 H ARG A 14 -18.648 -1.154 -10.401 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.529 -0.485 -10.345 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -17.961 1.949 -9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.214 1.943 -9.393 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -16.295 1.663 -11.779 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -18.005 1.281 -11.751 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.526 3.574 -10.975 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -16.818 3.964 -10.931 1.00 0.00 H new ATOM 0 HE ARG A 14 -17.266 3.092 -13.548 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.556 5.586 -11.409 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.933 6.691 -12.735 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.754 4.516 -15.247 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.481 6.088 -14.898 1.00 0.00 H new ATOM 177 N PRO A 15 -16.469 -1.587 -7.827 1.00 0.00 N ATOM 178 CA PRO A 15 -15.884 -2.036 -6.561 1.00 0.00 C ATOM 179 C PRO A 15 -14.361 -1.945 -6.562 1.00 0.00 C ATOM 180 O PRO A 15 -13.732 -1.926 -7.619 1.00 0.00 O ATOM 181 CB PRO A 15 -16.332 -3.496 -6.461 1.00 0.00 C ATOM 182 CG PRO A 15 -16.559 -3.921 -7.871 1.00 0.00 C ATOM 183 CD PRO A 15 -17.052 -2.700 -8.596 1.00 0.00 C ATOM 0 HA PRO A 15 -16.205 -1.419 -5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -15.572 -4.111 -5.980 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -17.241 -3.591 -5.868 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -15.639 -4.296 -8.319 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -17.290 -4.728 -7.923 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -16.720 -2.688 -9.634 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -18.141 -2.653 -8.609 1.00 0.00 H new ATOM 191 N ASN A 16 -13.776 -1.891 -5.370 1.00 0.00 N ATOM 192 CA ASN A 16 -12.326 -1.802 -5.234 1.00 0.00 C ATOM 193 C ASN A 16 -11.855 -2.507 -3.966 1.00 0.00 C ATOM 194 O ASN A 16 -12.200 -2.105 -2.855 1.00 0.00 O ATOM 195 CB ASN A 16 -11.884 -0.337 -5.211 1.00 0.00 C ATOM 196 CG ASN A 16 -11.650 0.218 -6.603 1.00 0.00 C ATOM 197 OD1 ASN A 16 -11.106 -0.464 -7.472 1.00 0.00 O ATOM 198 ND2 ASN A 16 -12.061 1.462 -6.820 1.00 0.00 N ATOM 0 H ASN A 16 -14.283 -1.907 -4.485 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.874 -2.297 -6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -12.643 0.261 -4.707 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.968 -0.246 -4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.931 1.890 -7.737 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.507 1.990 -6.070 1.00 0.00 H new ATOM 205 N ARG A 17 -11.063 -3.560 -4.141 1.00 0.00 N ATOM 206 CA ARG A 17 -10.544 -4.322 -3.011 1.00 0.00 C ATOM 207 C ARG A 17 -9.058 -4.047 -2.807 1.00 0.00 C ATOM 208 O ARG A 17 -8.290 -3.975 -3.767 1.00 0.00 O ATOM 209 CB ARG A 17 -10.771 -5.819 -3.231 1.00 0.00 C ATOM 210 CG ARG A 17 -12.238 -6.204 -3.336 1.00 0.00 C ATOM 211 CD ARG A 17 -12.433 -7.704 -3.178 1.00 0.00 C ATOM 212 NE ARG A 17 -12.421 -8.395 -4.465 1.00 0.00 N ATOM 213 CZ ARG A 17 -12.083 -9.671 -4.610 1.00 0.00 C ATOM 214 NH1 ARG A 17 -11.731 -10.392 -3.554 1.00 0.00 N ATOM 215 NH2 ARG A 17 -12.097 -10.230 -5.814 1.00 0.00 N ATOM 0 H ARG A 17 -10.767 -3.905 -5.054 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.080 -4.008 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.258 -6.126 -4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.317 -6.371 -2.408 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.809 -5.679 -2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.631 -5.885 -4.301 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.645 -8.107 -2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.379 -7.895 -2.672 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.687 -7.869 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.719 -9.967 -2.627 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.472 -11.372 -3.669 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.368 -9.679 -6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.837 -11.210 -5.924 1.00 0.00 H new ATOM 229 N CYS A 18 -8.657 -3.892 -1.549 1.00 0.00 N ATOM 230 CA CYS A 18 -7.263 -3.623 -1.217 1.00 0.00 C ATOM 231 C CYS A 18 -6.330 -4.538 -2.006 1.00 0.00 C ATOM 232 O CYS A 18 -6.664 -5.688 -2.291 1.00 0.00 O ATOM 233 CB CYS A 18 -7.029 -3.810 0.283 1.00 0.00 C ATOM 234 SG CYS A 18 -5.421 -3.187 0.868 1.00 0.00 S ATOM 0 H CYS A 18 -9.279 -3.948 -0.742 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.044 -2.590 -1.486 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.824 -3.303 0.830 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.104 -4.871 0.522 1.00 0.00 H new ATOM 239 N THR A 19 -5.158 -4.017 -2.357 1.00 0.00 N ATOM 240 CA THR A 19 -4.177 -4.785 -3.113 1.00 0.00 C ATOM 241 C THR A 19 -3.198 -5.493 -2.184 1.00 0.00 C ATOM 242 O THR A 19 -2.275 -6.171 -2.637 1.00 0.00 O ATOM 243 CB THR A 19 -3.387 -3.886 -4.083 1.00 0.00 C ATOM 244 OG1 THR A 19 -4.273 -2.964 -4.728 1.00 0.00 O ATOM 245 CG2 THR A 19 -2.667 -4.722 -5.131 1.00 0.00 C ATOM 0 H THR A 19 -4.866 -3.067 -2.130 1.00 0.00 H new ATOM 0 HA THR A 19 -4.731 -5.528 -3.686 1.00 0.00 H new ATOM 0 HB THR A 19 -2.644 -3.334 -3.508 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.268 -2.112 -4.243 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.116 -4.066 -5.805 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.972 -5.403 -4.639 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.396 -5.297 -5.701 1.00 0.00 H new ATOM 253 N VAL A 20 -3.405 -5.334 -0.880 1.00 0.00 N ATOM 254 CA VAL A 20 -2.542 -5.960 0.113 1.00 0.00 C ATOM 255 C VAL A 20 -3.275 -7.070 0.857 1.00 0.00 C ATOM 256 O VAL A 20 -2.755 -8.175 1.017 1.00 0.00 O ATOM 257 CB VAL A 20 -2.022 -4.930 1.134 1.00 0.00 C ATOM 258 CG1 VAL A 20 -1.327 -5.630 2.292 1.00 0.00 C ATOM 259 CG2 VAL A 20 -1.085 -3.939 0.460 1.00 0.00 C ATOM 0 H VAL A 20 -4.164 -4.776 -0.488 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.696 -6.385 -0.427 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.873 -4.378 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.966 -4.887 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.031 -6.296 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.485 -6.209 1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.727 -3.219 1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.237 -4.473 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.619 -3.414 -0.332 1.00 0.00 H new ATOM 269 N CYS A 21 -4.488 -6.771 1.310 1.00 0.00 N ATOM 270 CA CYS A 21 -5.295 -7.743 2.037 1.00 0.00 C ATOM 271 C CYS A 21 -6.690 -7.855 1.429 1.00 0.00 C ATOM 272 O CYS A 21 -7.523 -8.631 1.900 1.00 0.00 O ATOM 273 CB CYS A 21 -5.400 -7.349 3.512 1.00 0.00 C ATOM 274 SG CYS A 21 -6.291 -5.787 3.803 1.00 0.00 S ATOM 0 H CYS A 21 -4.934 -5.862 1.186 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.805 -8.714 1.961 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.903 -8.149 4.056 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.396 -7.265 3.927 1.00 0.00 H new ATOM 279 N ARG A 22 -6.938 -7.076 0.382 1.00 0.00 N ATOM 280 CA ARG A 22 -8.231 -7.087 -0.290 1.00 0.00 C ATOM 281 C ARG A 22 -9.370 -7.003 0.722 1.00 0.00 C ATOM 282 O ARG A 22 -10.264 -7.850 0.740 1.00 0.00 O ATOM 283 CB ARG A 22 -8.380 -8.353 -1.137 1.00 0.00 C ATOM 284 CG ARG A 22 -7.104 -8.756 -1.858 1.00 0.00 C ATOM 285 CD ARG A 22 -6.207 -9.604 -0.971 1.00 0.00 C ATOM 286 NE ARG A 22 -5.369 -10.513 -1.750 1.00 0.00 N ATOM 287 CZ ARG A 22 -5.769 -11.710 -2.162 1.00 0.00 C ATOM 288 NH1 ARG A 22 -6.989 -12.141 -1.872 1.00 0.00 N ATOM 289 NH2 ARG A 22 -4.949 -12.479 -2.867 1.00 0.00 N ATOM 0 H ARG A 22 -6.260 -6.429 -0.020 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.281 -6.215 -0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.700 -9.174 -0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.169 -8.197 -1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.355 -9.312 -2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.565 -7.862 -2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.573 -8.953 -0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.821 -10.180 -0.279 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.425 -10.211 -1.990 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.623 -11.552 -1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.294 -13.061 -2.190 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.010 -12.151 -3.093 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.258 -13.398 -3.183 1.00 0.00 H new ATOM 303 N LYS A 23 -9.332 -5.976 1.564 1.00 0.00 N ATOM 304 CA LYS A 23 -10.360 -5.779 2.579 1.00 0.00 C ATOM 305 C LYS A 23 -11.556 -5.028 2.004 1.00 0.00 C ATOM 306 O LYS A 23 -12.314 -4.393 2.738 1.00 0.00 O ATOM 307 CB LYS A 23 -9.787 -5.011 3.773 1.00 0.00 C ATOM 308 CG LYS A 23 -9.497 -3.551 3.473 1.00 0.00 C ATOM 309 CD LYS A 23 -10.696 -2.670 3.784 1.00 0.00 C ATOM 310 CE LYS A 23 -10.268 -1.335 4.375 1.00 0.00 C ATOM 311 NZ LYS A 23 -10.148 -1.398 5.858 1.00 0.00 N ATOM 0 H LYS A 23 -8.599 -5.266 1.563 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.697 -6.760 2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.490 -5.070 4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.867 -5.496 4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.640 -3.221 4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.226 -3.441 2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.269 -2.499 2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.355 -3.184 4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.311 -1.038 3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.992 -0.568 4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.855 -0.469 6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.067 -1.657 6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.438 -2.112 6.119 1.00 0.00 H new ATOM 325 N ARG A 24 -11.719 -5.104 0.687 1.00 0.00 N ATOM 326 CA ARG A 24 -12.823 -4.431 0.014 1.00 0.00 C ATOM 327 C ARG A 24 -12.938 -2.980 0.475 1.00 0.00 C ATOM 328 O ARG A 24 -13.998 -2.541 0.919 1.00 0.00 O ATOM 329 CB ARG A 24 -14.137 -5.167 0.282 1.00 0.00 C ATOM 330 CG ARG A 24 -14.056 -6.665 0.041 1.00 0.00 C ATOM 331 CD ARG A 24 -13.671 -7.414 1.307 1.00 0.00 C ATOM 332 NE ARG A 24 -13.957 -8.843 1.207 1.00 0.00 N ATOM 333 CZ ARG A 24 -13.613 -9.728 2.135 1.00 0.00 C ATOM 334 NH1 ARG A 24 -12.975 -9.333 3.228 1.00 0.00 N ATOM 335 NH2 ARG A 24 -13.907 -11.012 1.972 1.00 0.00 N ATOM 0 H ARG A 24 -11.101 -5.625 0.065 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.621 -4.440 -1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.439 -4.989 1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -14.915 -4.747 -0.355 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -15.018 -7.029 -0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.324 -6.870 -0.741 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.609 -7.270 1.504 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -14.212 -6.995 2.155 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.448 -9.179 0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.747 -8.347 3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.712 -10.015 3.939 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.398 -11.320 1.133 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.642 -11.691 2.686 1.00 0.00 H new ATOM 349 N VAL A 25 -11.838 -2.242 0.366 1.00 0.00 N ATOM 350 CA VAL A 25 -11.814 -0.841 0.771 1.00 0.00 C ATOM 351 C VAL A 25 -12.980 -0.073 0.158 1.00 0.00 C ATOM 352 O VAL A 25 -13.411 0.949 0.690 1.00 0.00 O ATOM 353 CB VAL A 25 -10.494 -0.161 0.362 1.00 0.00 C ATOM 354 CG1 VAL A 25 -9.329 -0.740 1.151 1.00 0.00 C ATOM 355 CG2 VAL A 25 -10.260 -0.308 -1.134 1.00 0.00 C ATOM 0 H VAL A 25 -10.952 -2.591 0.001 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.901 -0.823 1.857 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.566 0.902 0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.405 -0.248 0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.495 -0.578 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.252 -1.809 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.323 0.178 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.208 -1.366 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.081 0.158 -1.678 1.00 0.00 H new ATOM 365 N GLY A 26 -13.486 -0.572 -0.966 1.00 0.00 N ATOM 366 CA GLY A 26 -14.597 0.080 -1.633 1.00 0.00 C ATOM 367 C GLY A 26 -14.141 1.065 -2.691 1.00 0.00 C ATOM 368 O GLY A 26 -12.989 1.501 -2.689 1.00 0.00 O ATOM 0 H GLY A 26 -13.146 -1.416 -1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.234 -0.675 -2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.205 0.601 -0.894 1.00 0.00 H new ATOM 372 N LEU A 27 -15.046 1.417 -3.598 1.00 0.00 N ATOM 373 CA LEU A 27 -14.730 2.356 -4.669 1.00 0.00 C ATOM 374 C LEU A 27 -13.740 3.414 -4.191 1.00 0.00 C ATOM 375 O LEU A 27 -12.626 3.515 -4.705 1.00 0.00 O ATOM 376 CB LEU A 27 -16.006 3.029 -5.176 1.00 0.00 C ATOM 377 CG LEU A 27 -15.925 3.659 -6.567 1.00 0.00 C ATOM 378 CD1 LEU A 27 -17.316 3.826 -7.160 1.00 0.00 C ATOM 379 CD2 LEU A 27 -15.206 4.998 -6.505 1.00 0.00 C ATOM 0 H LEU A 27 -16.004 1.067 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.271 1.797 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.806 2.289 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.292 3.803 -4.464 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.355 2.992 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -17.238 4.276 -8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -17.796 2.851 -7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.912 4.471 -6.514 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.158 5.432 -7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.749 5.672 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.195 4.851 -6.124 1.00 0.00 H new ATOM 391 N THR A 28 -14.153 4.200 -3.201 1.00 0.00 N ATOM 392 CA THR A 28 -13.303 5.249 -2.652 1.00 0.00 C ATOM 393 C THR A 28 -11.941 4.697 -2.248 1.00 0.00 C ATOM 394 O THR A 28 -10.946 4.903 -2.942 1.00 0.00 O ATOM 395 CB THR A 28 -13.956 5.919 -1.429 1.00 0.00 C ATOM 396 OG1 THR A 28 -14.343 4.925 -0.474 1.00 0.00 O ATOM 397 CG2 THR A 28 -15.174 6.732 -1.843 1.00 0.00 C ATOM 0 H THR A 28 -15.072 4.130 -2.763 1.00 0.00 H new ATOM 0 HA THR A 28 -13.172 5.993 -3.438 1.00 0.00 H new ATOM 0 HB THR A 28 -13.226 6.591 -0.978 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.756 5.359 0.301 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.618 7.196 -0.962 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.872 7.507 -2.548 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.905 6.077 -2.316 1.00 0.00 H new ATOM 405 N GLY A 29 -11.902 3.994 -1.120 1.00 0.00 N ATOM 406 CA GLY A 29 -10.656 3.423 -0.644 1.00 0.00 C ATOM 407 C GLY A 29 -9.503 4.403 -0.721 1.00 0.00 C ATOM 408 O GLY A 29 -9.710 5.617 -0.742 1.00 0.00 O ATOM 0 H GLY A 29 -12.712 3.810 -0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.781 3.094 0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.417 2.538 -1.234 1.00 0.00 H new ATOM 412 N PHE A 30 -8.283 3.877 -0.761 1.00 0.00 N ATOM 413 CA PHE A 30 -7.091 4.715 -0.833 1.00 0.00 C ATOM 414 C PHE A 30 -6.231 4.334 -2.034 1.00 0.00 C ATOM 415 O PHE A 30 -5.266 3.581 -1.906 1.00 0.00 O ATOM 416 CB PHE A 30 -6.274 4.588 0.454 1.00 0.00 C ATOM 417 CG PHE A 30 -7.054 4.919 1.694 1.00 0.00 C ATOM 418 CD1 PHE A 30 -7.440 6.224 1.958 1.00 0.00 C ATOM 419 CD2 PHE A 30 -7.402 3.927 2.596 1.00 0.00 C ATOM 420 CE1 PHE A 30 -8.158 6.533 3.098 1.00 0.00 C ATOM 421 CE2 PHE A 30 -8.120 4.229 3.738 1.00 0.00 C ATOM 422 CZ PHE A 30 -8.498 5.534 3.989 1.00 0.00 C ATOM 0 H PHE A 30 -8.094 2.875 -0.745 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.411 5.750 -0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.894 3.570 0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.408 5.247 0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.177 7.009 1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.109 2.905 2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.453 7.554 3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.385 3.446 4.433 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.059 5.773 4.881 1.00 0.00 H new ATOM 432 N MET A 31 -6.589 4.859 -3.201 1.00 0.00 N ATOM 433 CA MET A 31 -5.849 4.575 -4.426 1.00 0.00 C ATOM 434 C MET A 31 -4.475 5.237 -4.397 1.00 0.00 C ATOM 435 O MET A 31 -4.365 6.459 -4.301 1.00 0.00 O ATOM 436 CB MET A 31 -6.636 5.059 -5.646 1.00 0.00 C ATOM 437 CG MET A 31 -6.102 4.523 -6.964 1.00 0.00 C ATOM 438 SD MET A 31 -7.252 4.771 -8.331 1.00 0.00 S ATOM 439 CE MET A 31 -7.228 3.150 -9.092 1.00 0.00 C ATOM 0 H MET A 31 -7.386 5.483 -3.325 1.00 0.00 H new ATOM 0 HA MET A 31 -5.711 3.496 -4.496 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.679 4.761 -5.537 1.00 0.00 H new ATOM 0 HB3 MET A 31 -6.617 6.149 -5.672 1.00 0.00 H new ATOM 0 HG2 MET A 31 -5.157 5.014 -7.196 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.891 3.459 -6.860 1.00 0.00 H new ATOM 0 HE1 MET A 31 -7.893 3.144 -9.956 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.214 2.914 -9.413 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.563 2.404 -8.371 1.00 0.00 H new ATOM 449 N CYS A 32 -3.429 4.421 -4.481 1.00 0.00 N ATOM 450 CA CYS A 32 -2.062 4.927 -4.463 1.00 0.00 C ATOM 451 C CYS A 32 -1.696 5.552 -5.806 1.00 0.00 C ATOM 452 O CYS A 32 -2.452 5.456 -6.773 1.00 0.00 O ATOM 453 CB CYS A 32 -1.083 3.799 -4.130 1.00 0.00 C ATOM 454 SG CYS A 32 0.519 4.372 -3.480 1.00 0.00 S ATOM 0 H CYS A 32 -3.502 3.407 -4.562 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.996 5.696 -3.694 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.544 3.137 -3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.908 3.208 -5.029 1.00 0.00 H new ATOM 459 N ARG A 33 -0.532 6.191 -5.857 1.00 0.00 N ATOM 460 CA ARG A 33 -0.066 6.833 -7.081 1.00 0.00 C ATOM 461 C ARG A 33 0.319 5.793 -8.128 1.00 0.00 C ATOM 462 O ARG A 33 -0.046 5.910 -9.298 1.00 0.00 O ATOM 463 CB ARG A 33 1.130 7.739 -6.783 1.00 0.00 C ATOM 464 CG ARG A 33 2.313 7.005 -6.172 1.00 0.00 C ATOM 465 CD ARG A 33 3.525 7.914 -6.041 1.00 0.00 C ATOM 466 NE ARG A 33 4.779 7.173 -6.152 1.00 0.00 N ATOM 467 CZ ARG A 33 5.952 7.746 -6.394 1.00 0.00 C ATOM 468 NH1 ARG A 33 6.032 9.060 -6.549 1.00 0.00 N ATOM 469 NH2 ARG A 33 7.049 7.004 -6.481 1.00 0.00 N ATOM 0 H ARG A 33 0.106 6.278 -5.066 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.882 7.438 -7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.450 8.220 -7.707 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.815 8.531 -6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.037 6.621 -5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.567 6.144 -6.790 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.488 8.682 -6.814 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.491 8.427 -5.080 1.00 0.00 H new ATOM 0 HE ARG A 33 4.752 6.160 -6.037 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.191 9.634 -6.482 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.934 9.498 -6.735 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.991 5.993 -6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.950 7.445 -6.667 1.00 0.00 H new ATOM 483 N CYS A 34 1.058 4.775 -7.700 1.00 0.00 N ATOM 484 CA CYS A 34 1.493 3.713 -8.599 1.00 0.00 C ATOM 485 C CYS A 34 0.350 3.265 -9.505 1.00 0.00 C ATOM 486 O CYS A 34 0.569 2.874 -10.651 1.00 0.00 O ATOM 487 CB CYS A 34 2.022 2.522 -7.798 1.00 0.00 C ATOM 488 SG CYS A 34 0.988 2.071 -6.367 1.00 0.00 S ATOM 0 H CYS A 34 1.368 4.663 -6.735 1.00 0.00 H new ATOM 0 HA CYS A 34 2.295 4.106 -9.224 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.104 1.660 -8.460 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.028 2.751 -7.448 1.00 0.00 H new ATOM 493 N GLY A 35 -0.871 3.324 -8.981 1.00 0.00 N ATOM 494 CA GLY A 35 -2.030 2.921 -9.756 1.00 0.00 C ATOM 495 C GLY A 35 -2.743 1.727 -9.153 1.00 0.00 C ATOM 496 O GLY A 35 -3.318 0.909 -9.872 1.00 0.00 O ATOM 0 H GLY A 35 -1.078 3.643 -8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.725 3.758 -9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.718 2.679 -10.772 1.00 0.00 H new ATOM 500 N THR A 36 -2.706 1.624 -7.828 1.00 0.00 N ATOM 501 CA THR A 36 -3.351 0.520 -7.129 1.00 0.00 C ATOM 502 C THR A 36 -4.236 1.028 -5.996 1.00 0.00 C ATOM 503 O THR A 36 -4.227 2.217 -5.672 1.00 0.00 O ATOM 504 CB THR A 36 -2.314 -0.463 -6.553 1.00 0.00 C ATOM 505 OG1 THR A 36 -1.177 0.256 -6.063 1.00 0.00 O ATOM 506 CG2 THR A 36 -1.871 -1.463 -7.610 1.00 0.00 C ATOM 0 H THR A 36 -2.236 2.292 -7.218 1.00 0.00 H new ATOM 0 HA THR A 36 -3.967 -0.001 -7.862 1.00 0.00 H new ATOM 0 HB THR A 36 -2.780 -1.008 -5.732 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.248 0.358 -5.091 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.139 -2.147 -7.180 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.734 -2.029 -7.960 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.422 -0.931 -8.449 1.00 0.00 H new ATOM 514 N THR A 37 -5.001 0.121 -5.396 1.00 0.00 N ATOM 515 CA THR A 37 -5.892 0.478 -4.299 1.00 0.00 C ATOM 516 C THR A 37 -5.519 -0.266 -3.023 1.00 0.00 C ATOM 517 O THR A 37 -5.349 -1.486 -3.030 1.00 0.00 O ATOM 518 CB THR A 37 -7.361 0.173 -4.647 1.00 0.00 C ATOM 519 OG1 THR A 37 -7.667 0.668 -5.956 1.00 0.00 O ATOM 520 CG2 THR A 37 -8.300 0.801 -3.629 1.00 0.00 C ATOM 0 H THR A 37 -5.021 -0.866 -5.652 1.00 0.00 H new ATOM 0 HA THR A 37 -5.780 1.550 -4.137 1.00 0.00 H new ATOM 0 HB THR A 37 -7.500 -0.908 -4.626 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.602 0.469 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.332 0.572 -3.896 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.084 0.400 -2.639 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.159 1.882 -3.622 1.00 0.00 H new ATOM 528 N PHE A 38 -5.392 0.474 -1.927 1.00 0.00 N ATOM 529 CA PHE A 38 -5.038 -0.117 -0.641 1.00 0.00 C ATOM 530 C PHE A 38 -5.983 0.363 0.456 1.00 0.00 C ATOM 531 O PHE A 38 -6.862 1.192 0.217 1.00 0.00 O ATOM 532 CB PHE A 38 -3.594 0.233 -0.275 1.00 0.00 C ATOM 533 CG PHE A 38 -2.604 -0.110 -1.351 1.00 0.00 C ATOM 534 CD1 PHE A 38 -2.178 -1.417 -1.528 1.00 0.00 C ATOM 535 CD2 PHE A 38 -2.099 0.874 -2.186 1.00 0.00 C ATOM 536 CE1 PHE A 38 -1.266 -1.735 -2.516 1.00 0.00 C ATOM 537 CE2 PHE A 38 -1.187 0.562 -3.177 1.00 0.00 C ATOM 538 CZ PHE A 38 -0.771 -0.745 -3.343 1.00 0.00 C ATOM 0 H PHE A 38 -5.529 1.484 -1.903 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.131 -1.199 -0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.530 1.300 -0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.321 -0.293 0.640 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.563 -2.196 -0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.422 1.897 -2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.940 -2.757 -2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.800 1.339 -3.820 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.060 -0.992 -4.118 1.00 0.00 H new ATOM 548 N CYS A 39 -5.796 -0.163 1.662 1.00 0.00 N ATOM 549 CA CYS A 39 -6.631 0.209 2.798 1.00 0.00 C ATOM 550 C CYS A 39 -5.952 1.283 3.643 1.00 0.00 C ATOM 551 O CYS A 39 -4.795 1.631 3.411 1.00 0.00 O ATOM 552 CB CYS A 39 -6.933 -1.019 3.660 1.00 0.00 C ATOM 553 SG CYS A 39 -5.453 -1.949 4.173 1.00 0.00 S ATOM 0 H CYS A 39 -5.073 -0.849 1.878 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.567 0.613 2.412 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.475 -0.700 4.550 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.594 -1.685 3.106 1.00 0.00 H new ATOM 558 N GLY A 40 -6.681 1.804 4.625 1.00 0.00 N ATOM 559 CA GLY A 40 -6.134 2.833 5.490 1.00 0.00 C ATOM 560 C GLY A 40 -4.845 2.400 6.161 1.00 0.00 C ATOM 561 O GLY A 40 -4.009 3.233 6.509 1.00 0.00 O ATOM 0 H GLY A 40 -7.641 1.532 4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.951 3.735 4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.869 3.091 6.253 1.00 0.00 H new ATOM 565 N SER A 41 -4.685 1.093 6.346 1.00 0.00 N ATOM 566 CA SER A 41 -3.492 0.552 6.985 1.00 0.00 C ATOM 567 C SER A 41 -2.390 0.307 5.959 1.00 0.00 C ATOM 568 O SER A 41 -1.202 0.385 6.276 1.00 0.00 O ATOM 569 CB SER A 41 -3.825 -0.752 7.713 1.00 0.00 C ATOM 570 OG SER A 41 -2.691 -1.259 8.395 1.00 0.00 O ATOM 0 H SER A 41 -5.367 0.390 6.062 1.00 0.00 H new ATOM 0 HA SER A 41 -3.134 1.284 7.709 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.633 -0.579 8.423 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.183 -1.491 6.996 1.00 0.00 H new ATOM 0 HG SER A 41 -2.930 -2.092 8.853 1.00 0.00 H new ATOM 576 N HIS A 42 -2.791 0.012 4.727 1.00 0.00 N ATOM 577 CA HIS A 42 -1.838 -0.244 3.653 1.00 0.00 C ATOM 578 C HIS A 42 -1.914 0.846 2.589 1.00 0.00 C ATOM 579 O HIS A 42 -1.518 0.636 1.442 1.00 0.00 O ATOM 580 CB HIS A 42 -2.106 -1.610 3.020 1.00 0.00 C ATOM 581 CG HIS A 42 -2.182 -2.727 4.015 1.00 0.00 C ATOM 582 ND1 HIS A 42 -2.907 -3.880 3.798 1.00 0.00 N ATOM 583 CD2 HIS A 42 -1.619 -2.863 5.238 1.00 0.00 C ATOM 584 CE1 HIS A 42 -2.787 -4.676 4.845 1.00 0.00 C ATOM 585 NE2 HIS A 42 -2.010 -4.083 5.733 1.00 0.00 N ATOM 0 H HIS A 42 -3.770 -0.056 4.447 1.00 0.00 H new ATOM 0 HA HIS A 42 -0.836 -0.241 4.081 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.042 -1.566 2.463 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -1.317 -1.829 2.300 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.981 -2.146 5.733 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.246 -5.647 4.956 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.744 -4.468 6.639 1.00 0.00 H new ATOM 593 N ARG A 43 -2.424 2.010 2.976 1.00 0.00 N ATOM 594 CA ARG A 43 -2.553 3.133 2.055 1.00 0.00 C ATOM 595 C ARG A 43 -1.186 3.726 1.726 1.00 0.00 C ATOM 596 O ARG A 43 -0.963 4.220 0.620 1.00 0.00 O ATOM 597 CB ARG A 43 -3.458 4.211 2.655 1.00 0.00 C ATOM 598 CG ARG A 43 -2.800 5.006 3.771 1.00 0.00 C ATOM 599 CD ARG A 43 -3.738 6.066 4.327 1.00 0.00 C ATOM 600 NE ARG A 43 -3.270 6.593 5.607 1.00 0.00 N ATOM 601 CZ ARG A 43 -4.072 7.143 6.512 1.00 0.00 C ATOM 602 NH1 ARG A 43 -5.374 7.237 6.279 1.00 0.00 N ATOM 603 NH2 ARG A 43 -3.572 7.600 7.653 1.00 0.00 N ATOM 0 H ARG A 43 -2.755 2.200 3.922 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.001 2.764 1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.766 4.896 1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.363 3.741 3.040 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.497 4.330 4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.894 5.481 3.395 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.829 6.882 3.610 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.733 5.640 4.452 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.274 6.535 5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.762 6.887 5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.988 7.660 6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.571 7.529 7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.189 8.022 8.347 1.00 0.00 H new ATOM 617 N TYR A 44 -0.277 3.674 2.692 1.00 0.00 N ATOM 618 CA TYR A 44 1.067 4.208 2.506 1.00 0.00 C ATOM 619 C TYR A 44 1.833 3.404 1.460 1.00 0.00 C ATOM 620 O TYR A 44 1.619 2.204 1.282 1.00 0.00 O ATOM 621 CB TYR A 44 1.830 4.199 3.832 1.00 0.00 C ATOM 622 CG TYR A 44 1.245 5.125 4.874 1.00 0.00 C ATOM 623 CD1 TYR A 44 1.564 6.476 4.889 1.00 0.00 C ATOM 624 CD2 TYR A 44 0.370 4.647 5.843 1.00 0.00 C ATOM 625 CE1 TYR A 44 1.032 7.325 5.840 1.00 0.00 C ATOM 626 CE2 TYR A 44 -0.168 5.489 6.796 1.00 0.00 C ATOM 627 CZ TYR A 44 0.166 6.827 6.791 1.00 0.00 C ATOM 628 OH TYR A 44 -0.367 7.670 7.739 1.00 0.00 O ATOM 0 H TYR A 44 -0.446 3.268 3.612 1.00 0.00 H new ATOM 0 HA TYR A 44 0.977 5.235 2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.843 3.183 4.227 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.866 4.482 3.647 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.240 6.870 4.144 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.107 3.600 5.850 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.293 8.373 5.839 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.847 5.102 7.541 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.449 8.572 7.366 1.00 0.00 H new ATOM 638 N PRO A 45 2.749 4.079 0.750 1.00 0.00 N ATOM 639 CA PRO A 45 3.567 3.449 -0.290 1.00 0.00 C ATOM 640 C PRO A 45 4.590 2.476 0.287 1.00 0.00 C ATOM 641 O PRO A 45 4.779 1.378 -0.236 1.00 0.00 O ATOM 642 CB PRO A 45 4.273 4.634 -0.954 1.00 0.00 C ATOM 643 CG PRO A 45 4.310 5.689 0.097 1.00 0.00 C ATOM 644 CD PRO A 45 3.057 5.511 0.908 1.00 0.00 C ATOM 0 HA PRO A 45 2.965 2.855 -0.977 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.278 4.364 -1.280 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.732 4.973 -1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.197 5.586 0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.348 6.683 -0.349 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.214 5.775 1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.247 6.140 0.539 1.00 0.00 H new ATOM 652 N GLU A 46 5.246 2.886 1.368 1.00 0.00 N ATOM 653 CA GLU A 46 6.249 2.049 2.015 1.00 0.00 C ATOM 654 C GLU A 46 5.644 0.720 2.461 1.00 0.00 C ATOM 655 O GLU A 46 6.274 -0.331 2.344 1.00 0.00 O ATOM 656 CB GLU A 46 6.853 2.776 3.218 1.00 0.00 C ATOM 657 CG GLU A 46 5.880 2.956 4.372 1.00 0.00 C ATOM 658 CD GLU A 46 6.534 3.564 5.597 1.00 0.00 C ATOM 659 OE1 GLU A 46 6.837 4.775 5.569 1.00 0.00 O ATOM 660 OE2 GLU A 46 6.743 2.828 6.584 1.00 0.00 O ATOM 0 H GLU A 46 5.101 3.792 1.814 1.00 0.00 H new ATOM 0 HA GLU A 46 7.037 1.845 1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.722 2.219 3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.210 3.755 2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.056 3.593 4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.452 1.989 4.636 1.00 0.00 H new ATOM 667 N VAL A 47 4.419 0.776 2.972 1.00 0.00 N ATOM 668 CA VAL A 47 3.728 -0.421 3.435 1.00 0.00 C ATOM 669 C VAL A 47 3.622 -1.459 2.323 1.00 0.00 C ATOM 670 O VAL A 47 3.953 -2.629 2.518 1.00 0.00 O ATOM 671 CB VAL A 47 2.314 -0.090 3.950 1.00 0.00 C ATOM 672 CG1 VAL A 47 1.557 -1.365 4.288 1.00 0.00 C ATOM 673 CG2 VAL A 47 2.390 0.831 5.158 1.00 0.00 C ATOM 0 H VAL A 47 3.884 1.638 3.076 1.00 0.00 H new ATOM 0 HA VAL A 47 4.318 -0.830 4.255 1.00 0.00 H new ATOM 0 HB VAL A 47 1.770 0.428 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.561 -1.111 4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.472 -1.985 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.095 -1.914 5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.383 1.055 5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.951 0.342 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.891 1.758 4.878 1.00 0.00 H new ATOM 683 N HIS A 48 3.158 -1.022 1.156 1.00 0.00 N ATOM 684 CA HIS A 48 3.009 -1.914 0.011 1.00 0.00 C ATOM 685 C HIS A 48 4.164 -1.735 -0.970 1.00 0.00 C ATOM 686 O HIS A 48 3.982 -1.837 -2.183 1.00 0.00 O ATOM 687 CB HIS A 48 1.679 -1.653 -0.695 1.00 0.00 C ATOM 688 CG HIS A 48 1.568 -0.276 -1.274 1.00 0.00 C ATOM 689 ND1 HIS A 48 0.835 0.732 -0.683 1.00 0.00 N ATOM 690 CD2 HIS A 48 2.104 0.259 -2.396 1.00 0.00 C ATOM 691 CE1 HIS A 48 0.923 1.826 -1.418 1.00 0.00 C ATOM 692 NE2 HIS A 48 1.688 1.566 -2.463 1.00 0.00 N ATOM 0 H HIS A 48 2.879 -0.057 0.979 1.00 0.00 H new ATOM 0 HA HIS A 48 3.022 -2.941 0.376 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.551 -2.385 -1.492 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.865 -1.807 0.013 1.00 0.00 H new ATOM 0 HD1 HIS A 48 0.307 0.646 0.186 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.740 -0.248 -3.106 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.450 2.772 -1.201 1.00 0.00 H new ATOM 700 N GLY A 49 5.352 -1.466 -0.437 1.00 0.00 N ATOM 701 CA GLY A 49 6.517 -1.276 -1.280 1.00 0.00 C ATOM 702 C GLY A 49 6.176 -0.618 -2.602 1.00 0.00 C ATOM 703 O GLY A 49 6.183 -1.268 -3.648 1.00 0.00 O ATOM 0 H GLY A 49 5.528 -1.376 0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.248 -0.664 -0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.986 -2.242 -1.469 1.00 0.00 H new ATOM 707 N CYS A 50 5.874 0.675 -2.557 1.00 0.00 N ATOM 708 CA CYS A 50 5.526 1.422 -3.760 1.00 0.00 C ATOM 709 C CYS A 50 6.697 1.455 -4.738 1.00 0.00 C ATOM 710 O CYS A 50 7.829 1.757 -4.359 1.00 0.00 O ATOM 711 CB CYS A 50 5.110 2.849 -3.397 1.00 0.00 C ATOM 712 SG CYS A 50 4.159 3.699 -4.698 1.00 0.00 S ATOM 0 H CYS A 50 5.863 1.228 -1.700 1.00 0.00 H new ATOM 0 HA CYS A 50 4.688 0.917 -4.241 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.514 2.821 -2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.004 3.432 -3.176 1.00 0.00 H new ATOM 717 N THR A 51 6.417 1.142 -5.999 1.00 0.00 N ATOM 718 CA THR A 51 7.445 1.135 -7.032 1.00 0.00 C ATOM 719 C THR A 51 8.738 0.514 -6.516 1.00 0.00 C ATOM 720 O THR A 51 9.831 1.001 -6.804 1.00 0.00 O ATOM 721 CB THR A 51 7.741 2.559 -7.541 1.00 0.00 C ATOM 722 OG1 THR A 51 8.277 3.357 -6.480 1.00 0.00 O ATOM 723 CG2 THR A 51 6.479 3.212 -8.085 1.00 0.00 C ATOM 0 H THR A 51 5.486 0.890 -6.330 1.00 0.00 H new ATOM 0 HA THR A 51 7.060 0.535 -7.857 1.00 0.00 H new ATOM 0 HB THR A 51 8.472 2.489 -8.347 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.486 2.784 -5.713 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.712 4.216 -8.438 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.089 2.618 -8.912 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.730 3.270 -7.295 1.00 0.00 H new ATOM 731 N PHE A 52 8.606 -0.566 -5.752 1.00 0.00 N ATOM 732 CA PHE A 52 9.765 -1.254 -5.195 1.00 0.00 C ATOM 733 C PHE A 52 10.242 -2.361 -6.131 1.00 0.00 C ATOM 734 O PHE A 52 9.435 -3.060 -6.744 1.00 0.00 O ATOM 735 CB PHE A 52 9.425 -1.842 -3.824 1.00 0.00 C ATOM 736 CG PHE A 52 10.621 -2.008 -2.930 1.00 0.00 C ATOM 737 CD1 PHE A 52 11.361 -3.180 -2.952 1.00 0.00 C ATOM 738 CD2 PHE A 52 11.005 -0.994 -2.068 1.00 0.00 C ATOM 739 CE1 PHE A 52 12.462 -3.336 -2.132 1.00 0.00 C ATOM 740 CE2 PHE A 52 12.105 -1.144 -1.245 1.00 0.00 C ATOM 741 CZ PHE A 52 12.834 -2.317 -1.276 1.00 0.00 C ATOM 0 H PHE A 52 7.709 -0.983 -5.505 1.00 0.00 H new ATOM 0 HA PHE A 52 10.569 -0.526 -5.082 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.699 -1.196 -3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.947 -2.812 -3.962 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.074 -3.980 -3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.438 -0.075 -2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.031 -4.253 -2.160 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.394 -0.345 -0.578 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.693 -2.437 -0.633 1.00 0.00 H new ATOM 751 N ASP A 53 11.557 -2.513 -6.236 1.00 0.00 N ATOM 752 CA ASP A 53 12.143 -3.534 -7.097 1.00 0.00 C ATOM 753 C ASP A 53 13.377 -4.150 -6.446 1.00 0.00 C ATOM 754 O ASP A 53 14.346 -3.453 -6.143 1.00 0.00 O ATOM 755 CB ASP A 53 12.512 -2.936 -8.455 1.00 0.00 C ATOM 756 CG ASP A 53 12.575 -3.983 -9.550 1.00 0.00 C ATOM 757 OD1 ASP A 53 11.742 -4.914 -9.531 1.00 0.00 O ATOM 758 OD2 ASP A 53 13.457 -3.871 -10.427 1.00 0.00 O ATOM 0 H ASP A 53 12.238 -1.942 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 53 11.402 -4.319 -7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.779 -2.175 -8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.477 -2.436 -8.378 1.00 0.00 H new ATOM 763 N PHE A 54 13.336 -5.461 -6.233 1.00 0.00 N ATOM 764 CA PHE A 54 14.450 -6.172 -5.616 1.00 0.00 C ATOM 765 C PHE A 54 15.779 -5.732 -6.225 1.00 0.00 C ATOM 766 O PHE A 54 16.016 -5.908 -7.420 1.00 0.00 O ATOM 767 CB PHE A 54 14.274 -7.682 -5.783 1.00 0.00 C ATOM 768 CG PHE A 54 13.310 -8.286 -4.802 1.00 0.00 C ATOM 769 CD1 PHE A 54 13.583 -8.270 -3.443 1.00 0.00 C ATOM 770 CD2 PHE A 54 12.131 -8.868 -5.238 1.00 0.00 C ATOM 771 CE1 PHE A 54 12.697 -8.825 -2.539 1.00 0.00 C ATOM 772 CE2 PHE A 54 11.241 -9.424 -4.338 1.00 0.00 C ATOM 773 CZ PHE A 54 11.525 -9.402 -2.987 1.00 0.00 C ATOM 0 H PHE A 54 12.543 -6.053 -6.479 1.00 0.00 H new ATOM 0 HA PHE A 54 14.460 -5.930 -4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.927 -7.889 -6.795 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.244 -8.167 -5.673 1.00 0.00 H new ATOM 0 HD1 PHE A 54 14.498 -7.819 -3.087 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.904 -8.888 -6.294 1.00 0.00 H new ATOM 0 HE1 PHE A 54 12.921 -8.807 -1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.325 -9.875 -4.691 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.832 -9.835 -2.282 1.00 0.00 H new ATOM 783 N LYS A 55 16.643 -5.160 -5.394 1.00 0.00 N ATOM 784 CA LYS A 55 17.948 -4.695 -5.847 1.00 0.00 C ATOM 785 C LYS A 55 18.907 -5.866 -6.035 1.00 0.00 C ATOM 786 O LYS A 55 19.400 -6.106 -7.137 1.00 0.00 O ATOM 787 CB LYS A 55 18.534 -3.698 -4.845 1.00 0.00 C ATOM 788 CG LYS A 55 17.823 -2.356 -4.835 1.00 0.00 C ATOM 789 CD LYS A 55 18.450 -1.386 -5.822 1.00 0.00 C ATOM 790 CE LYS A 55 17.785 -1.472 -7.188 1.00 0.00 C ATOM 791 NZ LYS A 55 18.067 -0.269 -8.019 1.00 0.00 N ATOM 0 H LYS A 55 16.463 -5.007 -4.402 1.00 0.00 H new ATOM 0 HA LYS A 55 17.815 -4.198 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 55 18.489 -4.131 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 55 19.587 -3.540 -5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 55 16.771 -2.499 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 55 17.860 -1.931 -3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 55 18.365 -0.369 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.514 -1.602 -5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 55 18.137 -2.363 -7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.708 -1.582 -7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.597 -0.366 -8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 17.709 0.579 -7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 19.093 -0.178 -8.162 1.00 0.00 H new ATOM 805 N SER A 56 19.166 -6.593 -4.953 1.00 0.00 N ATOM 806 CA SER A 56 20.068 -7.738 -4.999 1.00 0.00 C ATOM 807 C SER A 56 19.850 -8.551 -6.271 1.00 0.00 C ATOM 808 O SER A 56 18.733 -8.976 -6.565 1.00 0.00 O ATOM 809 CB SER A 56 19.861 -8.626 -3.770 1.00 0.00 C ATOM 810 OG SER A 56 21.040 -9.349 -3.460 1.00 0.00 O ATOM 0 H SER A 56 18.764 -6.410 -4.034 1.00 0.00 H new ATOM 0 HA SER A 56 21.092 -7.363 -5.000 1.00 0.00 H new ATOM 0 HB2 SER A 56 19.573 -8.011 -2.917 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.042 -9.321 -3.953 1.00 0.00 H new ATOM 0 HG SER A 56 20.883 -9.908 -2.670 1.00 0.00 H new ATOM 816 N ALA A 57 20.925 -8.763 -7.022 1.00 0.00 N ATOM 817 CA ALA A 57 20.853 -9.526 -8.262 1.00 0.00 C ATOM 818 C ALA A 57 21.764 -10.748 -8.208 1.00 0.00 C ATOM 819 O ALA A 57 22.965 -10.629 -7.971 1.00 0.00 O ATOM 820 CB ALA A 57 21.220 -8.644 -9.447 1.00 0.00 C ATOM 0 H ALA A 57 21.857 -8.417 -6.793 1.00 0.00 H new ATOM 0 HA ALA A 57 19.828 -9.874 -8.386 1.00 0.00 H new ATOM 0 HB1 ALA A 57 21.162 -9.227 -10.366 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.526 -7.805 -9.505 1.00 0.00 H new ATOM 0 HB3 ALA A 57 22.235 -8.267 -9.320 1.00 0.00 H new ATOM 826 N GLY A 58 21.183 -11.923 -8.428 1.00 0.00 N ATOM 827 CA GLY A 58 21.957 -13.151 -8.399 1.00 0.00 C ATOM 828 C GLY A 58 23.258 -13.033 -9.168 1.00 0.00 C ATOM 829 O GLY A 58 23.416 -12.141 -10.002 1.00 0.00 O ATOM 0 H GLY A 58 20.190 -12.047 -8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 58 22.173 -13.417 -7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 58 21.362 -13.962 -8.819 1.00 0.00 H new ATOM 833 N SER A 59 24.193 -13.935 -8.887 1.00 0.00 N ATOM 834 CA SER A 59 25.490 -13.926 -9.554 1.00 0.00 C ATOM 835 C SER A 59 25.891 -15.334 -9.981 1.00 0.00 C ATOM 836 O SER A 59 25.826 -16.276 -9.192 1.00 0.00 O ATOM 837 CB SER A 59 26.558 -13.336 -8.631 1.00 0.00 C ATOM 838 OG SER A 59 27.756 -13.073 -9.340 1.00 0.00 O ATOM 0 H SER A 59 24.077 -14.682 -8.202 1.00 0.00 H new ATOM 0 HA SER A 59 25.408 -13.305 -10.446 1.00 0.00 H new ATOM 0 HB2 SER A 59 26.187 -12.414 -8.183 1.00 0.00 H new ATOM 0 HB3 SER A 59 26.760 -14.029 -7.814 1.00 0.00 H new ATOM 0 HG SER A 59 28.422 -12.695 -8.728 1.00 0.00 H new ATOM 844 N GLY A 60 26.307 -15.470 -11.237 1.00 0.00 N ATOM 845 CA GLY A 60 26.713 -16.766 -11.748 1.00 0.00 C ATOM 846 C GLY A 60 26.141 -17.053 -13.122 1.00 0.00 C ATOM 847 O GLY A 60 25.164 -17.788 -13.269 1.00 0.00 O ATOM 0 H GLY A 60 26.370 -14.706 -11.909 1.00 0.00 H new ATOM 0 HA2 GLY A 60 27.801 -16.810 -11.794 1.00 0.00 H new ATOM 0 HA3 GLY A 60 26.392 -17.543 -11.055 1.00 0.00 H new ATOM 851 N PRO A 61 26.754 -16.462 -14.158 1.00 0.00 N ATOM 852 CA PRO A 61 26.315 -16.642 -15.545 1.00 0.00 C ATOM 853 C PRO A 61 26.588 -18.051 -16.061 1.00 0.00 C ATOM 854 O PRO A 61 25.698 -18.706 -16.603 1.00 0.00 O ATOM 855 CB PRO A 61 27.151 -15.618 -16.317 1.00 0.00 C ATOM 856 CG PRO A 61 28.369 -15.417 -15.483 1.00 0.00 C ATOM 857 CD PRO A 61 27.923 -15.572 -14.055 1.00 0.00 C ATOM 0 HA PRO A 61 25.239 -16.503 -15.654 1.00 0.00 H new ATOM 0 HB2 PRO A 61 27.408 -15.985 -17.311 1.00 0.00 H new ATOM 0 HB3 PRO A 61 26.606 -14.684 -16.453 1.00 0.00 H new ATOM 0 HG2 PRO A 61 29.138 -16.148 -15.733 1.00 0.00 H new ATOM 0 HG3 PRO A 61 28.800 -14.430 -15.652 1.00 0.00 H new ATOM 0 HD2 PRO A 61 28.706 -16.007 -13.434 1.00 0.00 H new ATOM 0 HD3 PRO A 61 27.660 -14.613 -13.610 1.00 0.00 H new ATOM 865 N SER A 62 27.822 -18.511 -15.887 1.00 0.00 N ATOM 866 CA SER A 62 28.213 -19.841 -16.338 1.00 0.00 C ATOM 867 C SER A 62 28.261 -19.906 -17.862 1.00 0.00 C ATOM 868 O SER A 62 27.813 -20.880 -18.467 1.00 0.00 O ATOM 869 CB SER A 62 27.238 -20.891 -15.802 1.00 0.00 C ATOM 870 OG SER A 62 27.864 -22.158 -15.689 1.00 0.00 O ATOM 0 H SER A 62 28.569 -17.982 -15.437 1.00 0.00 H new ATOM 0 HA SER A 62 29.210 -20.050 -15.951 1.00 0.00 H new ATOM 0 HB2 SER A 62 26.863 -20.579 -14.827 1.00 0.00 H new ATOM 0 HB3 SER A 62 26.377 -20.965 -16.466 1.00 0.00 H new ATOM 0 HG SER A 62 27.220 -22.811 -15.343 1.00 0.00 H new ATOM 876 N SER A 63 28.806 -18.861 -18.476 1.00 0.00 N ATOM 877 CA SER A 63 28.910 -18.795 -19.929 1.00 0.00 C ATOM 878 C SER A 63 29.592 -20.043 -20.481 1.00 0.00 C ATOM 879 O SER A 63 30.720 -20.364 -20.108 1.00 0.00 O ATOM 880 CB SER A 63 29.686 -17.547 -20.350 1.00 0.00 C ATOM 881 OG SER A 63 30.980 -17.531 -19.772 1.00 0.00 O ATOM 0 H SER A 63 29.183 -18.048 -17.989 1.00 0.00 H new ATOM 0 HA SER A 63 27.902 -18.741 -20.339 1.00 0.00 H new ATOM 0 HB2 SER A 63 29.769 -17.516 -21.436 1.00 0.00 H new ATOM 0 HB3 SER A 63 29.138 -16.655 -20.047 1.00 0.00 H new ATOM 0 HG SER A 63 31.255 -18.447 -19.560 1.00 0.00 H new ATOM 887 N GLY A 64 28.899 -20.744 -21.374 1.00 0.00 N ATOM 888 CA GLY A 64 29.453 -21.948 -21.964 1.00 0.00 C ATOM 889 C GLY A 64 28.422 -23.051 -22.106 1.00 0.00 C ATOM 890 O GLY A 64 27.245 -22.807 -21.846 1.00 0.00 O ATOM 0 H GLY A 64 27.964 -20.499 -21.699 1.00 0.00 H new ATOM 0 HA2 GLY A 64 29.865 -21.712 -22.945 1.00 0.00 H new ATOM 0 HA3 GLY A 64 30.279 -22.304 -21.348 1.00 0.00 H new TER 894 GLY A 64 HETATM 895 ZN ZN A 201 -5.102 -3.948 3.038 1.00 0.00 ZN HETATM 896 ZN ZN A 401 2.010 2.841 -4.409 1.00 0.00 ZN