USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 397 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= 1.17 (180deg=0.82) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.0278 (180deg=-0.304) USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.06) USER MOD Single : A 11 THR OG1 : rot 150:sc=0.000882 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0062 USER MOD Single : A 16 SER OG : rot 61:sc= 1.22 USER MOD Single : A 20 GLN : amide:sc= 0.0636 K(o=0.064,f=-0.79) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 15:sc= 1 USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= -0.703! (180deg=-1.96!) USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00277 USER MOD Single : A 40 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0235 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 8:sc= 0.855 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= -0.0312 (180deg=-0.244) USER MOD Single : A 62 SER OG : rot 165:sc= -1.06 USER MOD Single : A 63 SER OG : rot -65:sc= 0.00737 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= 0.275 (180deg=0.117) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.790 16.295 -37.419 1.00 0.00 N ATOM 2 CA GLY A 1 -15.905 17.341 -36.365 1.00 0.00 C ATOM 3 C GLY A 1 -16.246 16.762 -35.005 1.00 0.00 C ATOM 4 O GLY A 1 -17.424 16.650 -34.644 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.556 16.743 -38.328 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.040 15.623 -37.161 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.694 15.788 -37.505 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.965 17.889 -36.298 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.673 18.059 -36.653 1.00 0.00 H new ATOM 7 N SER A 2 -15.227 16.385 -34.250 1.00 0.00 N ATOM 8 CA SER A 2 -15.434 15.832 -32.928 1.00 0.00 C ATOM 9 C SER A 2 -15.494 16.950 -31.887 1.00 0.00 C ATOM 10 O SER A 2 -14.464 17.362 -31.337 1.00 0.00 O ATOM 11 CB SER A 2 -14.329 14.830 -32.589 1.00 0.00 C ATOM 12 OG SER A 2 -14.270 13.791 -33.563 1.00 0.00 O ATOM 0 H SER A 2 -14.249 16.453 -34.533 1.00 0.00 H new ATOM 0 HA SER A 2 -16.387 15.303 -32.916 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.369 15.344 -32.540 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.511 14.401 -31.604 1.00 0.00 H new ATOM 0 HG SER A 2 -13.556 13.162 -33.328 1.00 0.00 H new ATOM 18 N GLY A 3 -16.701 17.450 -31.644 1.00 0.00 N ATOM 19 CA GLY A 3 -16.890 18.529 -30.698 1.00 0.00 C ATOM 20 C GLY A 3 -16.580 18.122 -29.278 1.00 0.00 C ATOM 21 O GLY A 3 -16.743 16.952 -28.905 1.00 0.00 O ATOM 0 H GLY A 3 -17.557 17.122 -32.091 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -16.253 19.368 -30.978 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -17.921 18.879 -30.754 1.00 0.00 H new ATOM 25 N LYS A 4 -16.128 19.075 -28.489 1.00 0.00 N ATOM 26 CA LYS A 4 -15.794 18.817 -27.104 1.00 0.00 C ATOM 27 C LYS A 4 -16.947 19.203 -26.202 1.00 0.00 C ATOM 28 O LYS A 4 -17.817 19.986 -26.587 1.00 0.00 O ATOM 29 CB LYS A 4 -14.528 19.580 -26.696 1.00 0.00 C ATOM 30 CG LYS A 4 -13.333 19.327 -27.602 1.00 0.00 C ATOM 31 CD LYS A 4 -13.027 17.843 -27.732 1.00 0.00 C ATOM 32 CE LYS A 4 -11.871 17.600 -28.688 1.00 0.00 C ATOM 33 NZ LYS A 4 -12.148 18.132 -30.049 1.00 0.00 N ATOM 0 H LYS A 4 -15.983 20.040 -28.786 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.603 17.749 -26.995 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.746 20.648 -26.690 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.262 19.303 -25.676 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.530 19.745 -28.589 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.460 19.845 -27.205 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.784 17.432 -26.752 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.913 17.317 -28.088 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.970 18.069 -28.293 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.672 16.530 -28.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.465 17.732 -30.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.112 17.868 -30.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.060 19.168 -30.041 1.00 0.00 H new ATOM 47 N GLY A 5 -16.961 18.642 -25.018 1.00 0.00 N ATOM 48 CA GLY A 5 -18.004 18.928 -24.073 1.00 0.00 C ATOM 49 C GLY A 5 -17.848 18.108 -22.826 1.00 0.00 C ATOM 50 O GLY A 5 -18.614 17.180 -22.583 1.00 0.00 O ATOM 0 H GLY A 5 -16.257 17.982 -24.688 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -17.987 19.988 -23.819 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -18.974 18.724 -24.526 1.00 0.00 H new ATOM 54 N LYS A 6 -16.842 18.434 -22.043 1.00 0.00 N ATOM 55 CA LYS A 6 -16.566 17.714 -20.814 1.00 0.00 C ATOM 56 C LYS A 6 -17.373 18.298 -19.664 1.00 0.00 C ATOM 57 O LYS A 6 -18.130 19.263 -19.853 1.00 0.00 O ATOM 58 CB LYS A 6 -15.069 17.767 -20.496 1.00 0.00 C ATOM 59 CG LYS A 6 -14.196 17.189 -21.598 1.00 0.00 C ATOM 60 CD LYS A 6 -12.721 17.286 -21.253 1.00 0.00 C ATOM 61 CE LYS A 6 -11.855 16.718 -22.369 1.00 0.00 C ATOM 62 NZ LYS A 6 -12.168 15.294 -22.645 1.00 0.00 N ATOM 0 H LYS A 6 -16.196 19.199 -22.236 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.859 16.672 -20.947 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.779 18.803 -20.319 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.882 17.221 -19.571 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.463 16.145 -21.765 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.388 17.720 -22.531 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.454 18.328 -21.077 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.525 16.746 -20.327 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.002 17.304 -23.276 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.804 16.812 -22.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.415 14.880 -23.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.235 14.773 -21.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.074 15.230 -23.151 1.00 0.00 H new ATOM 76 N GLY A 7 -17.224 17.716 -18.485 1.00 0.00 N ATOM 77 CA GLY A 7 -17.935 18.200 -17.328 1.00 0.00 C ATOM 78 C GLY A 7 -17.402 19.527 -16.855 1.00 0.00 C ATOM 79 O GLY A 7 -16.347 19.592 -16.225 1.00 0.00 O ATOM 0 H GLY A 7 -16.619 16.913 -18.311 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.994 18.299 -17.568 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.857 17.470 -16.523 1.00 0.00 H new ATOM 83 N GLU A 8 -18.117 20.583 -17.169 1.00 0.00 N ATOM 84 CA GLU A 8 -17.714 21.918 -16.790 1.00 0.00 C ATOM 85 C GLU A 8 -18.139 22.218 -15.372 1.00 0.00 C ATOM 86 O GLU A 8 -19.220 21.828 -14.941 1.00 0.00 O ATOM 87 CB GLU A 8 -18.329 22.944 -17.728 1.00 0.00 C ATOM 88 CG GLU A 8 -17.889 22.806 -19.166 1.00 0.00 C ATOM 89 CD GLU A 8 -18.707 23.666 -20.089 1.00 0.00 C ATOM 90 OE1 GLU A 8 -19.710 23.162 -20.632 1.00 0.00 O ATOM 91 OE2 GLU A 8 -18.368 24.852 -20.269 1.00 0.00 O ATOM 0 H GLU A 8 -18.991 20.541 -17.693 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.628 21.975 -16.857 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -19.415 22.858 -17.682 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -18.073 23.943 -17.375 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.838 23.080 -19.252 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -17.973 21.763 -19.472 1.00 0.00 H new ATOM 98 N LYS A 9 -17.289 22.906 -14.653 1.00 0.00 N ATOM 99 CA LYS A 9 -17.580 23.302 -13.289 1.00 0.00 C ATOM 100 C LYS A 9 -18.049 24.743 -13.276 1.00 0.00 C ATOM 101 O LYS A 9 -18.131 25.376 -12.227 1.00 0.00 O ATOM 102 CB LYS A 9 -16.336 23.152 -12.390 1.00 0.00 C ATOM 103 CG LYS A 9 -15.855 21.717 -12.185 1.00 0.00 C ATOM 104 CD LYS A 9 -15.207 21.146 -13.437 1.00 0.00 C ATOM 105 CE LYS A 9 -14.762 19.712 -13.227 1.00 0.00 C ATOM 106 NZ LYS A 9 -14.275 19.098 -14.485 1.00 0.00 N ATOM 0 H LYS A 9 -16.376 23.209 -14.991 1.00 0.00 H new ATOM 0 HA LYS A 9 -18.362 22.651 -12.898 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.522 23.733 -12.823 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -16.556 23.588 -11.415 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.140 21.689 -11.362 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.699 21.090 -11.896 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.913 21.191 -14.266 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.349 21.758 -13.715 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.971 19.683 -12.478 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.594 19.127 -12.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.285 18.062 -14.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.893 19.381 -15.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.304 19.419 -14.675 1.00 0.00 H new ATOM 120 N CYS A 10 -18.358 25.254 -14.453 1.00 0.00 N ATOM 121 CA CYS A 10 -18.765 26.631 -14.600 1.00 0.00 C ATOM 122 C CYS A 10 -20.262 26.775 -14.721 1.00 0.00 C ATOM 123 O CYS A 10 -20.946 25.918 -15.291 1.00 0.00 O ATOM 124 CB CYS A 10 -18.073 27.260 -15.790 1.00 0.00 C ATOM 125 SG CYS A 10 -16.280 27.265 -15.651 1.00 0.00 S ATOM 0 H CYS A 10 -18.333 24.727 -15.326 1.00 0.00 H new ATOM 0 HA CYS A 10 -18.465 27.156 -13.693 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -18.359 26.722 -16.694 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -18.424 28.285 -15.905 1.00 0.00 H new ATOM 130 N THR A 11 -20.760 27.865 -14.187 1.00 0.00 N ATOM 131 CA THR A 11 -22.166 28.156 -14.201 1.00 0.00 C ATOM 132 C THR A 11 -22.519 29.044 -15.393 1.00 0.00 C ATOM 133 O THR A 11 -21.637 29.440 -16.171 1.00 0.00 O ATOM 134 CB THR A 11 -22.572 28.863 -12.896 1.00 0.00 C ATOM 135 OG1 THR A 11 -21.754 30.032 -12.715 1.00 0.00 O ATOM 136 CG2 THR A 11 -22.385 27.933 -11.706 1.00 0.00 C ATOM 0 H THR A 11 -20.193 28.578 -13.728 1.00 0.00 H new ATOM 0 HA THR A 11 -22.710 27.215 -14.288 1.00 0.00 H new ATOM 0 HB THR A 11 -23.622 29.146 -12.962 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.260 30.713 -12.225 1.00 0.00 H new ATOM 0 HG21 THR A 11 -22.677 28.449 -10.791 1.00 0.00 H new ATOM 0 HG22 THR A 11 -23.006 27.046 -11.836 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.338 27.636 -11.637 1.00 0.00 H new ATOM 144 N SER A 12 -23.797 29.360 -15.527 1.00 0.00 N ATOM 145 CA SER A 12 -24.283 30.204 -16.606 1.00 0.00 C ATOM 146 C SER A 12 -23.642 31.590 -16.561 1.00 0.00 C ATOM 147 O SER A 12 -23.457 32.236 -17.597 1.00 0.00 O ATOM 148 CB SER A 12 -25.802 30.315 -16.520 1.00 0.00 C ATOM 149 OG SER A 12 -26.211 30.614 -15.191 1.00 0.00 O ATOM 0 H SER A 12 -24.526 29.038 -14.891 1.00 0.00 H new ATOM 0 HA SER A 12 -24.006 29.746 -17.556 1.00 0.00 H new ATOM 0 HB2 SER A 12 -26.153 31.093 -17.197 1.00 0.00 H new ATOM 0 HB3 SER A 12 -26.259 29.380 -16.844 1.00 0.00 H new ATOM 0 HG SER A 12 -27.188 30.683 -15.157 1.00 0.00 H new ATOM 155 N ALA A 13 -23.287 32.029 -15.359 1.00 0.00 N ATOM 156 CA ALA A 13 -22.671 33.328 -15.160 1.00 0.00 C ATOM 157 C ALA A 13 -21.308 33.404 -15.841 1.00 0.00 C ATOM 158 O ALA A 13 -21.006 34.370 -16.534 1.00 0.00 O ATOM 159 CB ALA A 13 -22.540 33.621 -13.674 1.00 0.00 C ATOM 0 H ALA A 13 -23.419 31.494 -14.500 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.313 34.082 -15.615 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.077 34.598 -13.535 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.528 33.620 -13.214 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -21.921 32.856 -13.205 1.00 0.00 H new ATOM 165 N CYS A 14 -20.504 32.373 -15.662 1.00 0.00 N ATOM 166 CA CYS A 14 -19.164 32.339 -16.238 1.00 0.00 C ATOM 167 C CYS A 14 -19.233 32.206 -17.765 1.00 0.00 C ATOM 168 O CYS A 14 -18.428 32.788 -18.488 1.00 0.00 O ATOM 169 CB CYS A 14 -18.359 31.184 -15.629 1.00 0.00 C ATOM 170 SG CYS A 14 -16.584 31.229 -15.981 1.00 0.00 S ATOM 0 H CYS A 14 -20.752 31.544 -15.122 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.660 33.277 -16.004 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -18.501 31.190 -14.548 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.765 30.242 -15.998 1.00 0.00 H new ATOM 175 N ARG A 15 -20.224 31.461 -18.250 1.00 0.00 N ATOM 176 CA ARG A 15 -20.405 31.262 -19.695 1.00 0.00 C ATOM 177 C ARG A 15 -21.015 32.490 -20.378 1.00 0.00 C ATOM 178 O ARG A 15 -21.249 32.479 -21.587 1.00 0.00 O ATOM 179 CB ARG A 15 -21.287 30.048 -19.977 1.00 0.00 C ATOM 180 CG ARG A 15 -20.530 28.751 -20.205 1.00 0.00 C ATOM 181 CD ARG A 15 -21.470 27.681 -20.731 1.00 0.00 C ATOM 182 NE ARG A 15 -20.776 26.468 -21.171 1.00 0.00 N ATOM 183 CZ ARG A 15 -20.915 25.929 -22.387 1.00 0.00 C ATOM 184 NH1 ARG A 15 -21.564 26.588 -23.343 1.00 0.00 N ATOM 185 NH2 ARG A 15 -20.374 24.753 -22.655 1.00 0.00 N ATOM 0 H ARG A 15 -20.914 30.985 -17.670 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.409 31.096 -20.107 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -21.971 29.911 -19.139 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -21.897 30.256 -20.856 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.719 28.914 -20.915 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -20.074 28.419 -19.272 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -22.185 27.420 -19.951 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -22.042 28.087 -21.565 1.00 0.00 H new ATOM 0 HE ARG A 15 -20.150 26.007 -20.511 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -21.958 27.509 -23.150 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -21.667 26.173 -24.269 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -19.850 24.256 -21.934 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -20.480 24.342 -23.583 1.00 0.00 H new ATOM 199 N SER A 16 -21.272 33.534 -19.617 1.00 0.00 N ATOM 200 CA SER A 16 -21.870 34.735 -20.168 1.00 0.00 C ATOM 201 C SER A 16 -20.820 35.609 -20.845 1.00 0.00 C ATOM 202 O SER A 16 -19.622 35.466 -20.589 1.00 0.00 O ATOM 203 CB SER A 16 -22.583 35.519 -19.074 1.00 0.00 C ATOM 204 OG SER A 16 -23.605 34.740 -18.468 1.00 0.00 O ATOM 0 H SER A 16 -21.077 33.576 -18.617 1.00 0.00 H new ATOM 0 HA SER A 16 -22.599 34.436 -20.921 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.863 35.831 -18.318 1.00 0.00 H new ATOM 0 HB3 SER A 16 -23.015 36.426 -19.496 1.00 0.00 H new ATOM 0 HG SER A 16 -23.209 33.945 -18.055 1.00 0.00 H new ATOM 210 N GLU A 17 -21.277 36.494 -21.716 1.00 0.00 N ATOM 211 CA GLU A 17 -20.404 37.420 -22.413 1.00 0.00 C ATOM 212 C GLU A 17 -20.902 38.860 -22.217 1.00 0.00 C ATOM 213 O GLU A 17 -21.952 39.231 -22.749 1.00 0.00 O ATOM 214 CB GLU A 17 -20.368 37.091 -23.910 1.00 0.00 C ATOM 215 CG GLU A 17 -19.791 35.721 -24.244 1.00 0.00 C ATOM 216 CD GLU A 17 -18.333 35.586 -23.856 1.00 0.00 C ATOM 217 OE1 GLU A 17 -17.533 36.480 -24.222 1.00 0.00 O ATOM 218 OE2 GLU A 17 -17.975 34.580 -23.205 1.00 0.00 O ATOM 0 H GLU A 17 -22.263 36.589 -21.959 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.399 37.326 -22.002 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -21.382 37.150 -24.306 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.780 37.853 -24.422 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -20.371 34.953 -23.732 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.896 35.539 -25.314 1.00 0.00 H new ATOM 225 N PRO A 18 -20.188 39.683 -21.421 1.00 0.00 N ATOM 226 CA PRO A 18 -18.986 39.266 -20.696 1.00 0.00 C ATOM 227 C PRO A 18 -19.316 38.390 -19.491 1.00 0.00 C ATOM 228 O PRO A 18 -20.492 38.212 -19.138 1.00 0.00 O ATOM 229 CB PRO A 18 -18.372 40.589 -20.236 1.00 0.00 C ATOM 230 CG PRO A 18 -19.533 41.508 -20.106 1.00 0.00 C ATOM 231 CD PRO A 18 -20.498 41.105 -21.186 1.00 0.00 C ATOM 0 HA PRO A 18 -18.322 38.665 -21.318 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -17.847 40.475 -19.288 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.647 40.964 -20.959 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -19.991 41.422 -19.121 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.225 42.547 -20.225 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -21.532 41.242 -20.870 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -20.359 41.699 -22.089 1.00 0.00 H new ATOM 239 N CYS A 19 -18.279 37.860 -18.872 1.00 0.00 N ATOM 240 CA CYS A 19 -18.405 36.972 -17.740 1.00 0.00 C ATOM 241 C CYS A 19 -19.175 37.644 -16.604 1.00 0.00 C ATOM 242 O CYS A 19 -18.989 38.832 -16.331 1.00 0.00 O ATOM 243 CB CYS A 19 -17.021 36.561 -17.280 1.00 0.00 C ATOM 244 SG CYS A 19 -17.004 35.117 -16.228 1.00 0.00 S ATOM 0 H CYS A 19 -17.313 38.039 -19.148 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.967 36.086 -18.038 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.401 36.368 -18.155 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.565 37.394 -16.744 1.00 0.00 H new ATOM 249 N GLN A 20 -20.037 36.882 -15.948 1.00 0.00 N ATOM 250 CA GLN A 20 -20.899 37.423 -14.911 1.00 0.00 C ATOM 251 C GLN A 20 -20.656 36.777 -13.562 1.00 0.00 C ATOM 252 O GLN A 20 -21.484 36.901 -12.656 1.00 0.00 O ATOM 253 CB GLN A 20 -22.350 37.236 -15.306 1.00 0.00 C ATOM 254 CG GLN A 20 -22.713 37.931 -16.589 1.00 0.00 C ATOM 255 CD GLN A 20 -22.691 39.438 -16.465 1.00 0.00 C ATOM 256 OE1 GLN A 20 -22.989 39.993 -15.403 1.00 0.00 O ATOM 257 NE2 GLN A 20 -22.332 40.106 -17.535 1.00 0.00 N ATOM 0 H GLN A 20 -20.157 35.883 -16.117 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.665 38.483 -14.814 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.557 36.171 -15.407 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -22.988 37.610 -14.505 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -22.019 37.625 -17.372 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.707 37.611 -16.902 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -22.094 39.607 -18.392 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -22.291 41.125 -17.510 1.00 0.00 H new ATOM 266 N CYS A 21 -19.531 36.099 -13.411 1.00 0.00 N ATOM 267 CA CYS A 21 -19.212 35.473 -12.123 1.00 0.00 C ATOM 268 C CYS A 21 -19.064 36.539 -11.033 1.00 0.00 C ATOM 269 O CYS A 21 -19.349 36.287 -9.852 1.00 0.00 O ATOM 270 CB CYS A 21 -17.952 34.618 -12.214 1.00 0.00 C ATOM 271 SG CYS A 21 -18.263 32.841 -12.380 1.00 0.00 S ATOM 0 H CYS A 21 -18.832 35.965 -14.142 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.039 34.814 -11.858 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.362 34.952 -13.067 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.348 34.787 -11.323 1.00 0.00 H new ATOM 276 N GLY A 22 -18.629 37.729 -11.445 1.00 0.00 N ATOM 277 CA GLY A 22 -18.504 38.847 -10.534 1.00 0.00 C ATOM 278 C GLY A 22 -17.564 38.571 -9.386 1.00 0.00 C ATOM 279 O GLY A 22 -16.516 37.954 -9.564 1.00 0.00 O ATOM 0 H GLY A 22 -18.359 37.936 -12.407 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -18.150 39.719 -11.084 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -19.488 39.098 -10.138 1.00 0.00 H new ATOM 283 N SER A 23 -17.945 39.018 -8.208 1.00 0.00 N ATOM 284 CA SER A 23 -17.138 38.829 -7.026 1.00 0.00 C ATOM 285 C SER A 23 -17.649 37.645 -6.209 1.00 0.00 C ATOM 286 O SER A 23 -17.234 37.431 -5.073 1.00 0.00 O ATOM 287 CB SER A 23 -17.142 40.107 -6.190 1.00 0.00 C ATOM 288 OG SER A 23 -16.752 41.223 -6.981 1.00 0.00 O ATOM 0 H SER A 23 -18.818 39.520 -8.045 1.00 0.00 H new ATOM 0 HA SER A 23 -16.114 38.609 -7.327 1.00 0.00 H new ATOM 0 HB2 SER A 23 -18.137 40.276 -5.779 1.00 0.00 H new ATOM 0 HB3 SER A 23 -16.462 39.998 -5.345 1.00 0.00 H new ATOM 0 HG SER A 23 -16.762 42.034 -6.430 1.00 0.00 H new ATOM 294 N LYS A 24 -18.556 36.880 -6.796 1.00 0.00 N ATOM 295 CA LYS A 24 -19.080 35.697 -6.150 1.00 0.00 C ATOM 296 C LYS A 24 -18.358 34.483 -6.678 1.00 0.00 C ATOM 297 O LYS A 24 -17.856 33.661 -5.908 1.00 0.00 O ATOM 298 CB LYS A 24 -20.586 35.562 -6.396 1.00 0.00 C ATOM 299 CG LYS A 24 -21.430 36.614 -5.686 1.00 0.00 C ATOM 300 CD LYS A 24 -21.358 36.472 -4.168 1.00 0.00 C ATOM 301 CE LYS A 24 -21.918 35.134 -3.700 1.00 0.00 C ATOM 302 NZ LYS A 24 -21.945 35.026 -2.219 1.00 0.00 N ATOM 0 H LYS A 24 -18.943 37.062 -7.722 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.921 35.781 -5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -20.775 35.623 -7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -20.909 34.573 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -21.089 37.608 -5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -22.467 36.527 -6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -20.322 36.567 -3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -21.915 37.284 -3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -22.928 35.008 -4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -21.314 34.325 -4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -22.333 34.101 -1.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -20.979 35.120 -1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -22.542 35.781 -1.827 1.00 0.00 H new ATOM 316 N CYS A 25 -18.299 34.398 -8.007 1.00 0.00 N ATOM 317 CA CYS A 25 -17.638 33.315 -8.713 1.00 0.00 C ATOM 318 C CYS A 25 -18.223 31.963 -8.312 1.00 0.00 C ATOM 319 O CYS A 25 -17.823 31.359 -7.316 1.00 0.00 O ATOM 320 CB CYS A 25 -16.136 33.360 -8.480 1.00 0.00 C ATOM 321 SG CYS A 25 -15.189 32.552 -9.769 1.00 0.00 S ATOM 0 H CYS A 25 -18.717 35.092 -8.627 1.00 0.00 H new ATOM 0 HA CYS A 25 -17.815 33.445 -9.781 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -15.819 34.400 -8.405 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -15.910 32.888 -7.524 1.00 0.00 H new ATOM 326 N GLN A 26 -19.173 31.499 -9.092 1.00 0.00 N ATOM 327 CA GLN A 26 -19.885 30.268 -8.776 1.00 0.00 C ATOM 328 C GLN A 26 -19.321 29.057 -9.519 1.00 0.00 C ATOM 329 O GLN A 26 -19.920 27.986 -9.498 1.00 0.00 O ATOM 330 CB GLN A 26 -21.371 30.429 -9.098 1.00 0.00 C ATOM 331 CG GLN A 26 -22.059 31.538 -8.318 1.00 0.00 C ATOM 332 CD GLN A 26 -23.515 31.697 -8.702 1.00 0.00 C ATOM 333 OE1 GLN A 26 -24.395 31.063 -8.122 1.00 0.00 O ATOM 334 NE2 GLN A 26 -23.781 32.555 -9.669 1.00 0.00 N ATOM 0 H GLN A 26 -19.476 31.953 -9.954 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.752 30.084 -7.710 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.481 30.627 -10.164 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -21.880 29.487 -8.895 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -21.989 31.326 -7.251 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -21.536 32.478 -8.491 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.022 33.061 -10.125 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.746 32.712 -9.960 1.00 0.00 H new ATOM 343 N CYS A 27 -18.189 29.217 -10.169 1.00 0.00 N ATOM 344 CA CYS A 27 -17.603 28.109 -10.910 1.00 0.00 C ATOM 345 C CYS A 27 -16.363 27.553 -10.218 1.00 0.00 C ATOM 346 O CYS A 27 -15.892 28.098 -9.211 1.00 0.00 O ATOM 347 CB CYS A 27 -17.250 28.534 -12.327 1.00 0.00 C ATOM 348 SG CYS A 27 -15.971 29.781 -12.425 1.00 0.00 S ATOM 0 H CYS A 27 -17.659 30.088 -10.203 1.00 0.00 H new ATOM 0 HA CYS A 27 -18.354 27.320 -10.946 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -16.929 27.656 -12.888 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -18.148 28.913 -12.815 1.00 0.00 H new ATOM 353 N GLY A 28 -15.851 26.460 -10.761 1.00 0.00 N ATOM 354 CA GLY A 28 -14.653 25.847 -10.235 1.00 0.00 C ATOM 355 C GLY A 28 -13.436 26.176 -11.077 1.00 0.00 C ATOM 356 O GLY A 28 -13.548 26.854 -12.105 1.00 0.00 O ATOM 0 H GLY A 28 -16.252 25.982 -11.568 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.490 26.187 -9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.786 24.766 -10.195 1.00 0.00 H new ATOM 360 N GLU A 29 -12.280 25.688 -10.662 1.00 0.00 N ATOM 361 CA GLU A 29 -11.043 25.959 -11.368 1.00 0.00 C ATOM 362 C GLU A 29 -10.869 25.025 -12.555 1.00 0.00 C ATOM 363 O GLU A 29 -10.145 24.033 -12.485 1.00 0.00 O ATOM 364 CB GLU A 29 -9.842 25.850 -10.432 1.00 0.00 C ATOM 365 CG GLU A 29 -9.847 26.853 -9.295 1.00 0.00 C ATOM 366 CD GLU A 29 -8.601 26.763 -8.448 1.00 0.00 C ATOM 367 OE1 GLU A 29 -8.627 26.071 -7.417 1.00 0.00 O ATOM 368 OE2 GLU A 29 -7.580 27.385 -8.812 1.00 0.00 O ATOM 0 H GLU A 29 -12.174 25.100 -9.836 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.099 26.981 -11.742 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.812 24.844 -10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.929 25.981 -11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.935 27.860 -9.702 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.723 26.685 -8.668 1.00 0.00 H new ATOM 375 N GLY A 30 -11.567 25.328 -13.624 1.00 0.00 N ATOM 376 CA GLY A 30 -11.458 24.545 -14.832 1.00 0.00 C ATOM 377 C GLY A 30 -11.920 25.326 -16.032 1.00 0.00 C ATOM 378 O GLY A 30 -12.307 24.754 -17.053 1.00 0.00 O ATOM 0 H GLY A 30 -12.217 26.112 -13.682 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.423 24.234 -14.974 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.053 23.637 -14.735 1.00 0.00 H new ATOM 382 N CYS A 31 -11.883 26.641 -15.914 1.00 0.00 N ATOM 383 CA CYS A 31 -12.338 27.509 -16.988 1.00 0.00 C ATOM 384 C CYS A 31 -11.215 28.361 -17.542 1.00 0.00 C ATOM 385 O CYS A 31 -11.318 28.869 -18.654 1.00 0.00 O ATOM 386 CB CYS A 31 -13.462 28.415 -16.491 1.00 0.00 C ATOM 387 SG CYS A 31 -13.019 29.443 -15.061 1.00 0.00 S ATOM 0 H CYS A 31 -11.543 27.132 -15.087 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.703 26.867 -17.790 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.776 29.065 -17.307 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -14.321 27.797 -16.227 1.00 0.00 H new ATOM 392 N THR A 32 -10.141 28.517 -16.759 1.00 0.00 N ATOM 393 CA THR A 32 -9.008 29.390 -17.112 1.00 0.00 C ATOM 394 C THR A 32 -9.506 30.787 -17.501 1.00 0.00 C ATOM 395 O THR A 32 -8.887 31.494 -18.300 1.00 0.00 O ATOM 396 CB THR A 32 -8.113 28.792 -18.242 1.00 0.00 C ATOM 397 OG1 THR A 32 -8.875 28.534 -19.431 1.00 0.00 O ATOM 398 CG2 THR A 32 -7.452 27.502 -17.775 1.00 0.00 C ATOM 0 H THR A 32 -10.030 28.043 -15.863 1.00 0.00 H new ATOM 0 HA THR A 32 -8.382 29.468 -16.223 1.00 0.00 H new ATOM 0 HB THR A 32 -7.345 29.530 -18.474 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.736 28.999 -19.375 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.832 27.100 -18.576 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.830 27.707 -16.903 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.220 26.775 -17.511 1.00 0.00 H new ATOM 406 N CYS A 33 -10.623 31.175 -16.896 1.00 0.00 N ATOM 407 CA CYS A 33 -11.269 32.431 -17.181 1.00 0.00 C ATOM 408 C CYS A 33 -10.519 33.566 -16.506 1.00 0.00 C ATOM 409 O CYS A 33 -10.474 33.643 -15.293 1.00 0.00 O ATOM 410 CB CYS A 33 -12.713 32.378 -16.681 1.00 0.00 C ATOM 411 SG CYS A 33 -13.862 33.408 -17.603 1.00 0.00 S ATOM 0 H CYS A 33 -11.102 30.616 -16.190 1.00 0.00 H new ATOM 0 HA CYS A 33 -11.267 32.607 -18.257 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -13.060 31.345 -16.720 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.733 32.682 -15.634 1.00 0.00 H new ATOM 416 N ALA A 34 -9.973 34.461 -17.299 1.00 0.00 N ATOM 417 CA ALA A 34 -9.169 35.562 -16.783 1.00 0.00 C ATOM 418 C ALA A 34 -10.046 36.751 -16.447 1.00 0.00 C ATOM 419 O ALA A 34 -9.567 37.873 -16.275 1.00 0.00 O ATOM 420 CB ALA A 34 -8.106 35.954 -17.797 1.00 0.00 C ATOM 0 H ALA A 34 -10.069 34.452 -18.314 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.675 35.233 -15.868 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.511 36.777 -17.401 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.458 35.100 -17.993 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.586 36.266 -18.725 1.00 0.00 H new ATOM 426 N ALA A 35 -11.327 36.494 -16.335 1.00 0.00 N ATOM 427 CA ALA A 35 -12.285 37.521 -16.026 1.00 0.00 C ATOM 428 C ALA A 35 -12.689 37.403 -14.581 1.00 0.00 C ATOM 429 O ALA A 35 -12.597 38.363 -13.817 1.00 0.00 O ATOM 430 CB ALA A 35 -13.497 37.405 -16.935 1.00 0.00 C ATOM 0 H ALA A 35 -11.732 35.566 -16.456 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.835 38.500 -16.192 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.213 38.189 -16.689 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.184 37.512 -17.974 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.964 36.430 -16.796 1.00 0.00 H new ATOM 436 N CYS A 36 -13.132 36.219 -14.204 1.00 0.00 N ATOM 437 CA CYS A 36 -13.519 35.963 -12.831 1.00 0.00 C ATOM 438 C CYS A 36 -12.402 35.274 -12.067 1.00 0.00 C ATOM 439 O CYS A 36 -12.251 35.461 -10.860 1.00 0.00 O ATOM 440 CB CYS A 36 -14.761 35.092 -12.799 1.00 0.00 C ATOM 441 SG CYS A 36 -14.542 33.464 -13.560 1.00 0.00 S ATOM 0 H CYS A 36 -13.233 35.420 -14.829 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.726 36.921 -12.355 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -15.071 34.958 -11.763 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -15.571 35.614 -13.309 1.00 0.00 H new ATOM 446 N LYS A 37 -11.609 34.488 -12.771 1.00 0.00 N ATOM 447 CA LYS A 37 -10.588 33.711 -12.128 1.00 0.00 C ATOM 448 C LYS A 37 -9.200 34.278 -12.386 1.00 0.00 C ATOM 449 O LYS A 37 -8.468 33.812 -13.259 1.00 0.00 O ATOM 450 CB LYS A 37 -10.688 32.261 -12.578 1.00 0.00 C ATOM 451 CG LYS A 37 -10.289 31.251 -11.526 1.00 0.00 C ATOM 452 CD LYS A 37 -10.901 29.884 -11.815 1.00 0.00 C ATOM 453 CE LYS A 37 -12.385 29.809 -11.411 1.00 0.00 C ATOM 454 NZ LYS A 37 -13.264 30.714 -12.212 1.00 0.00 N ATOM 0 H LYS A 37 -11.658 34.377 -13.784 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.747 33.757 -11.051 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.714 32.059 -12.887 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.057 32.122 -13.456 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.203 31.167 -11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.612 31.597 -10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.805 29.663 -12.878 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.342 29.118 -11.278 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.733 28.782 -11.524 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.480 30.063 -10.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.261 30.485 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.080 31.702 -11.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.063 30.586 -13.224 1.00 0.00 H new ATOM 468 N THR A 38 -8.863 35.301 -11.638 1.00 0.00 N ATOM 469 CA THR A 38 -7.573 35.936 -11.738 1.00 0.00 C ATOM 470 C THR A 38 -7.274 36.660 -10.434 1.00 0.00 C ATOM 471 O THR A 38 -8.178 36.897 -9.636 1.00 0.00 O ATOM 472 CB THR A 38 -7.520 36.930 -12.930 1.00 0.00 C ATOM 473 OG1 THR A 38 -6.187 37.433 -13.097 1.00 0.00 O ATOM 474 CG2 THR A 38 -8.482 38.093 -12.715 1.00 0.00 C ATOM 0 H THR A 38 -9.479 35.718 -10.940 1.00 0.00 H new ATOM 0 HA THR A 38 -6.819 35.170 -11.918 1.00 0.00 H new ATOM 0 HB THR A 38 -7.820 36.392 -13.830 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.165 38.057 -13.852 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.425 38.774 -13.564 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.499 37.712 -12.623 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.211 38.626 -11.804 1.00 0.00 H new ATOM 482 N CYS A 39 -6.020 36.977 -10.201 1.00 0.00 N ATOM 483 CA CYS A 39 -5.634 37.657 -8.984 1.00 0.00 C ATOM 484 C CYS A 39 -5.690 39.165 -9.169 1.00 0.00 C ATOM 485 O CYS A 39 -5.431 39.678 -10.260 1.00 0.00 O ATOM 486 CB CYS A 39 -4.238 37.231 -8.547 1.00 0.00 C ATOM 487 SG CYS A 39 -3.721 37.936 -6.972 1.00 0.00 S ATOM 0 H CYS A 39 -5.250 36.775 -10.838 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.341 37.377 -8.203 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.206 36.144 -8.476 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.522 37.521 -9.316 1.00 0.00 H new ATOM 492 N ASN A 40 -6.031 39.869 -8.106 1.00 0.00 N ATOM 493 CA ASN A 40 -6.127 41.321 -8.152 1.00 0.00 C ATOM 494 C ASN A 40 -5.076 41.967 -7.265 1.00 0.00 C ATOM 495 O ASN A 40 -5.021 43.191 -7.138 1.00 0.00 O ATOM 496 CB ASN A 40 -7.531 41.782 -7.744 1.00 0.00 C ATOM 497 CG ASN A 40 -8.565 41.544 -8.833 1.00 0.00 C ATOM 498 OD1 ASN A 40 -8.818 42.418 -9.662 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.158 40.363 -8.846 1.00 0.00 N ATOM 0 H ASN A 40 -6.247 39.460 -7.197 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.943 41.637 -9.179 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.834 41.255 -6.839 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.504 42.844 -7.500 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.853 40.149 -9.561 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.920 39.665 -8.141 1.00 0.00 H new ATOM 506 N CYS A 41 -4.237 41.146 -6.662 1.00 0.00 N ATOM 507 CA CYS A 41 -3.181 41.632 -5.799 1.00 0.00 C ATOM 508 C CYS A 41 -2.006 42.124 -6.631 1.00 0.00 C ATOM 509 O CYS A 41 -1.743 41.602 -7.715 1.00 0.00 O ATOM 510 CB CYS A 41 -2.734 40.521 -4.858 1.00 0.00 C ATOM 511 SG CYS A 41 -4.080 39.786 -3.909 1.00 0.00 S ATOM 0 H CYS A 41 -4.269 40.131 -6.756 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.559 42.466 -5.208 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.243 39.740 -5.439 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.990 40.919 -4.168 1.00 0.00 H new ATOM 516 N THR A 42 -1.306 43.125 -6.131 1.00 0.00 N ATOM 517 CA THR A 42 -0.179 43.684 -6.847 1.00 0.00 C ATOM 518 C THR A 42 1.115 43.428 -6.095 1.00 0.00 C ATOM 519 O THR A 42 1.094 43.121 -4.903 1.00 0.00 O ATOM 520 CB THR A 42 -0.361 45.198 -7.066 1.00 0.00 C ATOM 521 OG1 THR A 42 -0.589 45.853 -5.806 1.00 0.00 O ATOM 522 CG2 THR A 42 -1.539 45.457 -7.986 1.00 0.00 C ATOM 0 H THR A 42 -1.499 43.566 -5.232 1.00 0.00 H new ATOM 0 HA THR A 42 -0.128 43.193 -7.819 1.00 0.00 H new ATOM 0 HB THR A 42 0.546 45.594 -7.523 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.702 46.815 -5.953 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.657 46.531 -8.133 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.362 44.977 -8.948 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.446 45.050 -7.539 1.00 0.00 H new ATOM 530 N SER A 43 2.236 43.555 -6.791 1.00 0.00 N ATOM 531 CA SER A 43 3.550 43.345 -6.194 1.00 0.00 C ATOM 532 C SER A 43 3.834 44.374 -5.100 1.00 0.00 C ATOM 533 O SER A 43 4.608 44.120 -4.174 1.00 0.00 O ATOM 534 CB SER A 43 4.623 43.401 -7.281 1.00 0.00 C ATOM 535 OG SER A 43 4.397 44.496 -8.161 1.00 0.00 O ATOM 0 H SER A 43 2.262 43.805 -7.780 1.00 0.00 H new ATOM 0 HA SER A 43 3.565 42.360 -5.727 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.607 43.495 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.623 42.469 -7.846 1.00 0.00 H new ATOM 0 HG SER A 43 5.096 44.514 -8.847 1.00 0.00 H new ATOM 541 N ASP A 44 3.193 45.527 -5.208 1.00 0.00 N ATOM 542 CA ASP A 44 3.360 46.598 -4.236 1.00 0.00 C ATOM 543 C ASP A 44 2.652 46.270 -2.921 1.00 0.00 C ATOM 544 O ASP A 44 3.140 46.611 -1.837 1.00 0.00 O ATOM 545 CB ASP A 44 2.838 47.918 -4.807 1.00 0.00 C ATOM 546 CG ASP A 44 2.804 49.028 -3.778 1.00 0.00 C ATOM 547 OD1 ASP A 44 1.698 49.377 -3.321 1.00 0.00 O ATOM 548 OD2 ASP A 44 3.880 49.553 -3.419 1.00 0.00 O ATOM 0 H ASP A 44 2.547 45.747 -5.966 1.00 0.00 H new ATOM 0 HA ASP A 44 4.425 46.699 -4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.469 48.222 -5.642 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.834 47.766 -5.204 1.00 0.00 H new ATOM 553 N GLY A 45 1.519 45.596 -3.016 1.00 0.00 N ATOM 554 CA GLY A 45 0.764 45.255 -1.836 1.00 0.00 C ATOM 555 C GLY A 45 -0.263 44.186 -2.111 1.00 0.00 C ATOM 556 O GLY A 45 -1.023 44.276 -3.081 1.00 0.00 O ATOM 0 H GLY A 45 1.109 45.279 -3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.445 44.912 -1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.266 46.146 -1.454 1.00 0.00 H new ATOM 560 N CYS A 46 -0.286 43.172 -1.275 1.00 0.00 N ATOM 561 CA CYS A 46 -1.224 42.088 -1.432 1.00 0.00 C ATOM 562 C CYS A 46 -2.609 42.508 -0.955 1.00 0.00 C ATOM 563 O CYS A 46 -2.755 43.094 0.123 1.00 0.00 O ATOM 564 CB CYS A 46 -0.753 40.869 -0.660 1.00 0.00 C ATOM 565 SG CYS A 46 -1.689 39.378 -1.019 1.00 0.00 S ATOM 0 H CYS A 46 0.340 43.077 -0.475 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.283 41.833 -2.490 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.298 40.691 -0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.817 41.079 0.408 1.00 0.00 H new ATOM 570 N LYS A 47 -3.617 42.206 -1.751 1.00 0.00 N ATOM 571 CA LYS A 47 -4.980 42.587 -1.429 1.00 0.00 C ATOM 572 C LYS A 47 -5.674 41.564 -0.541 1.00 0.00 C ATOM 573 O LYS A 47 -6.383 41.932 0.394 1.00 0.00 O ATOM 574 CB LYS A 47 -5.793 42.820 -2.704 1.00 0.00 C ATOM 575 CG LYS A 47 -5.365 44.047 -3.496 1.00 0.00 C ATOM 576 CD LYS A 47 -5.543 45.317 -2.680 1.00 0.00 C ATOM 577 CE LYS A 47 -5.211 46.553 -3.492 1.00 0.00 C ATOM 578 NZ LYS A 47 -5.373 47.792 -2.695 1.00 0.00 N ATOM 0 H LYS A 47 -3.517 41.696 -2.629 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.923 43.519 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.708 41.941 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.845 42.921 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.321 43.946 -3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.952 44.115 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.571 45.380 -2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.902 45.277 -1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.185 46.485 -3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.857 46.597 -4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.137 48.617 -3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.358 47.869 -2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.738 47.761 -1.872 1.00 0.00 H new ATOM 592 N CYS A 48 -5.469 40.289 -0.814 1.00 0.00 N ATOM 593 CA CYS A 48 -6.145 39.256 -0.042 1.00 0.00 C ATOM 594 C CYS A 48 -5.397 38.962 1.249 1.00 0.00 C ATOM 595 O CYS A 48 -6.006 38.750 2.298 1.00 0.00 O ATOM 596 CB CYS A 48 -6.311 37.980 -0.862 1.00 0.00 C ATOM 597 SG CYS A 48 -4.778 37.100 -1.158 1.00 0.00 S ATOM 0 H CYS A 48 -4.852 39.945 -1.550 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.136 39.630 0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -7.005 37.317 -0.346 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.764 38.233 -1.821 1.00 0.00 H new ATOM 602 N GLY A 49 -4.081 38.953 1.170 1.00 0.00 N ATOM 603 CA GLY A 49 -3.281 38.699 2.340 1.00 0.00 C ATOM 604 C GLY A 49 -2.549 37.375 2.281 1.00 0.00 C ATOM 605 O GLY A 49 -1.914 36.972 3.252 1.00 0.00 O ATOM 0 H GLY A 49 -3.552 39.118 0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.556 39.504 2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.922 38.715 3.222 1.00 0.00 H new ATOM 609 N LYS A 50 -2.633 36.691 1.147 1.00 0.00 N ATOM 610 CA LYS A 50 -1.932 35.418 0.975 1.00 0.00 C ATOM 611 C LYS A 50 -0.498 35.662 0.537 1.00 0.00 C ATOM 612 O LYS A 50 0.273 34.721 0.327 1.00 0.00 O ATOM 613 CB LYS A 50 -2.649 34.532 -0.045 1.00 0.00 C ATOM 614 CG LYS A 50 -4.072 34.168 0.344 1.00 0.00 C ATOM 615 CD LYS A 50 -4.114 33.412 1.656 1.00 0.00 C ATOM 616 CE LYS A 50 -5.537 33.067 2.044 1.00 0.00 C ATOM 617 NZ LYS A 50 -5.591 32.283 3.299 1.00 0.00 N ATOM 0 H LYS A 50 -3.174 36.991 0.336 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.928 34.901 1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.666 35.044 -1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.075 33.616 -0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.671 35.075 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.521 33.560 -0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.526 32.498 1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.656 34.014 2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.114 33.984 2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.005 32.499 1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.581 32.067 3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.062 31.396 3.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.167 32.835 4.072 1.00 0.00 H new ATOM 631 N GLU A 51 -0.158 36.944 0.385 1.00 0.00 N ATOM 632 CA GLU A 51 1.176 37.376 -0.016 1.00 0.00 C ATOM 633 C GLU A 51 1.516 36.886 -1.418 1.00 0.00 C ATOM 634 O GLU A 51 2.683 36.814 -1.801 1.00 0.00 O ATOM 635 CB GLU A 51 2.229 36.920 1.003 1.00 0.00 C ATOM 636 CG GLU A 51 2.030 37.518 2.387 1.00 0.00 C ATOM 637 CD GLU A 51 3.087 37.078 3.371 1.00 0.00 C ATOM 638 OE1 GLU A 51 4.206 37.634 3.335 1.00 0.00 O ATOM 639 OE2 GLU A 51 2.805 36.182 4.195 1.00 0.00 O ATOM 0 H GLU A 51 -0.808 37.715 0.539 1.00 0.00 H new ATOM 0 HA GLU A 51 1.182 38.466 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.204 35.833 1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.219 37.192 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.039 38.605 2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.048 37.232 2.764 1.00 0.00 H new ATOM 646 N CYS A 52 0.482 36.571 -2.182 1.00 0.00 N ATOM 647 CA CYS A 52 0.639 36.121 -3.549 1.00 0.00 C ATOM 648 C CYS A 52 1.106 37.269 -4.421 1.00 0.00 C ATOM 649 O CYS A 52 2.043 37.129 -5.208 1.00 0.00 O ATOM 650 CB CYS A 52 -0.686 35.585 -4.058 1.00 0.00 C ATOM 651 SG CYS A 52 -2.098 36.621 -3.636 1.00 0.00 S ATOM 0 H CYS A 52 -0.487 36.621 -1.869 1.00 0.00 H new ATOM 0 HA CYS A 52 1.386 35.328 -3.586 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.634 35.482 -5.142 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.845 34.587 -3.650 1.00 0.00 H new ATOM 656 N THR A 53 0.428 38.407 -4.264 1.00 0.00 N ATOM 657 CA THR A 53 0.746 39.656 -4.961 1.00 0.00 C ATOM 658 C THR A 53 0.777 39.501 -6.484 1.00 0.00 C ATOM 659 O THR A 53 1.431 40.276 -7.179 1.00 0.00 O ATOM 660 CB THR A 53 2.074 40.284 -4.455 1.00 0.00 C ATOM 661 OG1 THR A 53 3.180 39.391 -4.654 1.00 0.00 O ATOM 662 CG2 THR A 53 1.966 40.630 -2.979 1.00 0.00 C ATOM 0 H THR A 53 -0.373 38.489 -3.637 1.00 0.00 H new ATOM 0 HA THR A 53 -0.070 40.338 -4.721 1.00 0.00 H new ATOM 0 HB THR A 53 2.251 41.192 -5.031 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.886 38.619 -5.181 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.904 41.069 -2.639 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.156 41.344 -2.831 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.760 39.725 -2.407 1.00 0.00 H new ATOM 670 N GLY A 54 0.048 38.523 -6.996 1.00 0.00 N ATOM 671 CA GLY A 54 0.009 38.315 -8.421 1.00 0.00 C ATOM 672 C GLY A 54 -0.262 36.872 -8.789 1.00 0.00 C ATOM 673 O GLY A 54 0.030 35.969 -8.007 1.00 0.00 O ATOM 0 H GLY A 54 -0.515 37.872 -6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.764 38.949 -8.856 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.959 38.625 -8.856 1.00 0.00 H new ATOM 677 N PRO A 55 -0.818 36.625 -9.994 1.00 0.00 N ATOM 678 CA PRO A 55 -1.151 35.272 -10.467 1.00 0.00 C ATOM 679 C PRO A 55 0.069 34.347 -10.558 1.00 0.00 C ATOM 680 O PRO A 55 -0.058 33.129 -10.437 1.00 0.00 O ATOM 681 CB PRO A 55 -1.742 35.511 -11.869 1.00 0.00 C ATOM 682 CG PRO A 55 -1.264 36.867 -12.262 1.00 0.00 C ATOM 683 CD PRO A 55 -1.172 37.652 -10.990 1.00 0.00 C ATOM 0 HA PRO A 55 -1.830 34.770 -9.777 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.403 34.753 -12.575 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.831 35.466 -11.851 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.295 36.811 -12.758 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.954 37.337 -12.963 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.414 38.433 -11.051 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.116 38.141 -10.748 1.00 0.00 H new ATOM 691 N ASP A 56 1.247 34.931 -10.752 1.00 0.00 N ATOM 692 CA ASP A 56 2.485 34.150 -10.882 1.00 0.00 C ATOM 693 C ASP A 56 2.898 33.527 -9.556 1.00 0.00 C ATOM 694 O ASP A 56 3.708 32.607 -9.517 1.00 0.00 O ATOM 695 CB ASP A 56 3.631 35.014 -11.421 1.00 0.00 C ATOM 696 CG ASP A 56 3.406 35.470 -12.844 1.00 0.00 C ATOM 697 OD1 ASP A 56 2.740 36.502 -13.043 1.00 0.00 O ATOM 698 OD2 ASP A 56 3.904 34.807 -13.774 1.00 0.00 O ATOM 0 H ASP A 56 1.377 35.940 -10.823 1.00 0.00 H new ATOM 0 HA ASP A 56 2.279 33.349 -11.592 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.753 35.887 -10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.561 34.448 -11.369 1.00 0.00 H new ATOM 703 N SER A 57 2.356 34.036 -8.474 1.00 0.00 N ATOM 704 CA SER A 57 2.674 33.523 -7.154 1.00 0.00 C ATOM 705 C SER A 57 1.402 33.368 -6.335 1.00 0.00 C ATOM 706 O SER A 57 1.436 33.369 -5.104 1.00 0.00 O ATOM 707 CB SER A 57 3.642 34.473 -6.457 1.00 0.00 C ATOM 708 OG SER A 57 4.757 34.756 -7.295 1.00 0.00 O ATOM 0 H SER A 57 1.690 34.808 -8.478 1.00 0.00 H new ATOM 0 HA SER A 57 3.145 32.545 -7.250 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.129 35.400 -6.200 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.986 34.029 -5.523 1.00 0.00 H new ATOM 0 HG SER A 57 5.367 35.368 -6.832 1.00 0.00 H new ATOM 714 N CYS A 58 0.292 33.202 -7.027 1.00 0.00 N ATOM 715 CA CYS A 58 -0.995 33.111 -6.383 1.00 0.00 C ATOM 716 C CYS A 58 -1.246 31.709 -5.856 1.00 0.00 C ATOM 717 O CYS A 58 -1.150 30.723 -6.591 1.00 0.00 O ATOM 718 CB CYS A 58 -2.097 33.538 -7.345 1.00 0.00 C ATOM 719 SG CYS A 58 -3.636 34.016 -6.541 1.00 0.00 S ATOM 0 H CYS A 58 0.261 33.127 -8.044 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.000 33.788 -5.529 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.737 34.375 -7.943 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.300 32.718 -8.034 1.00 0.00 H new ATOM 724 N LYS A 59 -1.570 31.629 -4.581 1.00 0.00 N ATOM 725 CA LYS A 59 -1.807 30.355 -3.917 1.00 0.00 C ATOM 726 C LYS A 59 -3.295 30.180 -3.675 1.00 0.00 C ATOM 727 O LYS A 59 -3.720 29.347 -2.869 1.00 0.00 O ATOM 728 CB LYS A 59 -1.065 30.324 -2.576 1.00 0.00 C ATOM 729 CG LYS A 59 0.365 30.844 -2.636 1.00 0.00 C ATOM 730 CD LYS A 59 1.236 30.010 -3.555 1.00 0.00 C ATOM 731 CE LYS A 59 2.648 30.572 -3.634 1.00 0.00 C ATOM 732 NZ LYS A 59 3.308 30.631 -2.306 1.00 0.00 N ATOM 0 H LYS A 59 -1.677 32.441 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.442 29.546 -4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.624 30.916 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.051 29.299 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.360 31.878 -2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.793 30.845 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.270 28.982 -3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.796 29.983 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.245 29.955 -4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.614 31.573 -4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.322 30.824 -2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.879 31.389 -1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.186 29.721 -1.817 1.00 0.00 H new ATOM 746 N CYS A 60 -4.075 30.960 -4.380 1.00 0.00 N ATOM 747 CA CYS A 60 -5.505 30.974 -4.203 1.00 0.00 C ATOM 748 C CYS A 60 -6.214 30.350 -5.398 1.00 0.00 C ATOM 749 O CYS A 60 -5.650 30.257 -6.496 1.00 0.00 O ATOM 750 CB CYS A 60 -5.947 32.410 -4.015 1.00 0.00 C ATOM 751 SG CYS A 60 -4.777 33.379 -3.042 1.00 0.00 S ATOM 0 H CYS A 60 -3.736 31.604 -5.094 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.768 30.382 -3.326 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.075 32.877 -4.992 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.920 32.425 -3.525 1.00 0.00 H new ATOM 756 N GLY A 61 -7.448 29.925 -5.185 1.00 0.00 N ATOM 757 CA GLY A 61 -8.208 29.313 -6.243 1.00 0.00 C ATOM 758 C GLY A 61 -9.350 30.181 -6.715 1.00 0.00 C ATOM 759 O GLY A 61 -9.268 30.808 -7.772 1.00 0.00 O ATOM 0 H GLY A 61 -7.936 29.995 -4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.547 29.100 -7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.602 28.358 -5.897 1.00 0.00 H new ATOM 763 N SER A 62 -10.417 30.216 -5.943 1.00 0.00 N ATOM 764 CA SER A 62 -11.585 31.007 -6.285 1.00 0.00 C ATOM 765 C SER A 62 -12.249 31.545 -5.024 1.00 0.00 C ATOM 766 O SER A 62 -12.012 31.036 -3.927 1.00 0.00 O ATOM 767 CB SER A 62 -12.582 30.158 -7.084 1.00 0.00 C ATOM 768 OG SER A 62 -11.971 29.615 -8.242 1.00 0.00 O ATOM 0 H SER A 62 -10.501 29.701 -5.066 1.00 0.00 H new ATOM 0 HA SER A 62 -11.267 31.850 -6.899 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.963 29.352 -6.457 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.437 30.769 -7.372 1.00 0.00 H new ATOM 0 HG SER A 62 -12.533 28.897 -8.602 1.00 0.00 H new ATOM 774 N SER A 63 -13.043 32.603 -5.186 1.00 0.00 N ATOM 775 CA SER A 63 -13.796 33.215 -4.086 1.00 0.00 C ATOM 776 C SER A 63 -12.884 33.846 -3.015 1.00 0.00 C ATOM 777 O SER A 63 -13.359 34.286 -1.970 1.00 0.00 O ATOM 778 CB SER A 63 -14.760 32.195 -3.464 1.00 0.00 C ATOM 779 OG SER A 63 -15.645 31.673 -4.451 1.00 0.00 O ATOM 0 H SER A 63 -13.184 33.063 -6.085 1.00 0.00 H new ATOM 0 HA SER A 63 -14.376 34.033 -4.512 1.00 0.00 H new ATOM 0 HB2 SER A 63 -14.194 31.382 -3.009 1.00 0.00 H new ATOM 0 HB3 SER A 63 -15.334 32.668 -2.667 1.00 0.00 H new ATOM 0 HG SER A 63 -16.220 32.392 -4.788 1.00 0.00 H new ATOM 785 N CYS A 64 -11.582 33.896 -3.284 1.00 0.00 N ATOM 786 CA CYS A 64 -10.648 34.532 -2.368 1.00 0.00 C ATOM 787 C CYS A 64 -10.792 36.044 -2.497 1.00 0.00 C ATOM 788 O CYS A 64 -11.416 36.530 -3.441 1.00 0.00 O ATOM 789 CB CYS A 64 -9.199 34.090 -2.663 1.00 0.00 C ATOM 790 SG CYS A 64 -7.949 34.711 -1.490 1.00 0.00 S ATOM 0 H CYS A 64 -11.155 33.506 -4.124 1.00 0.00 H new ATOM 0 HA CYS A 64 -10.876 34.229 -1.346 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -9.161 33.001 -2.668 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.931 34.422 -3.666 1.00 0.00 H new ATOM 795 N SER A 65 -10.216 36.782 -1.575 1.00 0.00 N ATOM 796 CA SER A 65 -10.335 38.229 -1.575 1.00 0.00 C ATOM 797 C SER A 65 -9.674 38.856 -2.815 1.00 0.00 C ATOM 798 O SER A 65 -9.932 40.009 -3.149 1.00 0.00 O ATOM 799 CB SER A 65 -9.736 38.791 -0.295 1.00 0.00 C ATOM 800 OG SER A 65 -10.281 38.133 0.839 1.00 0.00 O ATOM 0 H SER A 65 -9.657 36.405 -0.810 1.00 0.00 H new ATOM 0 HA SER A 65 -11.394 38.486 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.653 38.668 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.935 39.861 -0.233 1.00 0.00 H new ATOM 0 HG SER A 65 -9.885 38.504 1.655 1.00 0.00 H new ATOM 806 N CYS A 66 -8.830 38.089 -3.494 1.00 0.00 N ATOM 807 CA CYS A 66 -8.177 38.567 -4.697 1.00 0.00 C ATOM 808 C CYS A 66 -8.858 38.022 -5.952 1.00 0.00 C ATOM 809 O CYS A 66 -8.432 38.307 -7.067 1.00 0.00 O ATOM 810 CB CYS A 66 -6.699 38.177 -4.693 1.00 0.00 C ATOM 811 SG CYS A 66 -6.382 36.401 -4.556 1.00 0.00 S ATOM 0 H CYS A 66 -8.585 37.135 -3.229 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.259 39.654 -4.710 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.239 38.544 -5.610 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.206 38.685 -3.864 1.00 0.00 H new ATOM 816 N LYS A 67 -9.929 37.255 -5.765 1.00 0.00 N ATOM 817 CA LYS A 67 -10.631 36.626 -6.888 1.00 0.00 C ATOM 818 C LYS A 67 -12.027 37.221 -7.065 1.00 0.00 C ATOM 819 O LYS A 67 -12.944 36.809 -6.303 1.00 0.00 O ATOM 820 CB LYS A 67 -10.724 35.106 -6.667 1.00 0.00 C ATOM 821 CG LYS A 67 -9.384 34.447 -6.377 1.00 0.00 C ATOM 822 CD LYS A 67 -8.427 34.574 -7.547 1.00 0.00 C ATOM 823 CE LYS A 67 -7.027 34.139 -7.159 1.00 0.00 C ATOM 824 NZ LYS A 67 -6.072 34.268 -8.282 1.00 0.00 N ATOM 0 H LYS A 67 -10.331 37.052 -4.850 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.063 36.820 -7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.403 34.909 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.161 34.645 -7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.939 34.903 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.540 33.393 -6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.782 33.966 -8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.407 35.607 -7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.681 34.741 -6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.050 33.103 -6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.106 34.091 -7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.309 33.576 -9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.128 35.228 -8.677 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 ZN ZN A 101 -15.412 29.395 -14.705 1.00 0.00 ZN HETATM 840 ZN ZN A 102 -15.489 33.232 -15.799 1.00 0.00 ZN HETATM 841 ZN ZN A 103 -15.977 32.125 -11.974 1.00 0.00 ZN HETATM 842 ZN ZN A 104 -3.955 36.241 -5.376 1.00 0.00 ZN HETATM 843 ZN ZN A 105 -5.986 35.382 -2.513 1.00 0.00 ZN HETATM 844 ZN ZN A 106 -3.180 38.218 -2.354 1.00 0.00 ZN