USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=18 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+ 174:sc= -0.138 (180deg=-0.144) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.061) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.14 K(o=0.14,f=-0.64) 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=-0.00139 X(o=-0.0014,f=-0.0014) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0.597 (180deg=0.577) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0093) USER MOD Single : A 42 THR OG1 : rot -33:sc= 1.6 USER MOD Single : A 43 SER OG : rot 180:sc= 0 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 15:sc= 0.886 USER MOD Single : A 57 SER OG : rot -47:sc= 0.43 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -1.52! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -144:sc= 1.61 (180deg=1.44) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.488 15.341 -32.616 1.00 0.00 N ATOM 2 CA GLY A 1 -16.471 16.444 -32.422 1.00 0.00 C ATOM 3 C GLY A 1 -17.664 16.011 -31.589 1.00 0.00 C ATOM 4 O GLY A 1 -18.574 16.803 -31.332 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.743 15.651 -33.273 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.061 15.092 -31.701 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.973 14.509 -33.010 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.978 17.286 -31.937 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.817 16.795 -33.394 1.00 0.00 H new ATOM 7 N SER A 2 -17.661 14.755 -31.169 1.00 0.00 N ATOM 8 CA SER A 2 -18.741 14.216 -30.361 1.00 0.00 C ATOM 9 C SER A 2 -18.473 14.464 -28.879 1.00 0.00 C ATOM 10 O SER A 2 -19.399 14.695 -28.090 1.00 0.00 O ATOM 11 CB SER A 2 -18.885 12.718 -30.619 1.00 0.00 C ATOM 12 OG SER A 2 -18.982 12.447 -32.009 1.00 0.00 O ATOM 0 H SER A 2 -16.918 14.088 -31.376 1.00 0.00 H new ATOM 0 HA SER A 2 -19.668 14.719 -30.637 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.028 12.190 -30.201 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.772 12.341 -30.109 1.00 0.00 H new ATOM 0 HG SER A 2 -19.072 11.481 -32.148 1.00 0.00 H new ATOM 18 N GLY A 3 -17.209 14.421 -28.511 1.00 0.00 N ATOM 19 CA GLY A 3 -16.829 14.616 -27.138 1.00 0.00 C ATOM 20 C GLY A 3 -16.199 13.373 -26.565 1.00 0.00 C ATOM 21 O GLY A 3 -16.427 12.270 -27.071 1.00 0.00 O ATOM 0 H GLY A 3 -16.431 14.252 -29.149 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -16.128 15.448 -27.067 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -17.706 14.886 -26.550 1.00 0.00 H new ATOM 25 N LYS A 4 -15.414 13.536 -25.526 1.00 0.00 N ATOM 26 CA LYS A 4 -14.731 12.414 -24.901 1.00 0.00 C ATOM 27 C LYS A 4 -14.420 12.714 -23.438 1.00 0.00 C ATOM 28 O LYS A 4 -13.585 12.054 -22.820 1.00 0.00 O ATOM 29 CB LYS A 4 -13.446 12.094 -25.672 1.00 0.00 C ATOM 30 CG LYS A 4 -12.527 13.292 -25.860 1.00 0.00 C ATOM 31 CD LYS A 4 -11.342 12.949 -26.742 1.00 0.00 C ATOM 32 CE LYS A 4 -10.460 14.164 -26.973 1.00 0.00 C ATOM 33 NZ LYS A 4 -9.296 13.847 -27.834 1.00 0.00 N ATOM 0 H LYS A 4 -15.228 14.439 -25.089 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.387 11.544 -24.931 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.902 11.310 -25.144 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.711 11.694 -26.651 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.087 14.115 -26.304 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.172 13.636 -24.889 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.757 12.155 -26.278 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.696 12.566 -27.699 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.048 14.957 -27.435 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.109 14.545 -26.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.720 14.702 -27.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.720 13.109 -27.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.630 13.507 -28.758 1.00 0.00 H new ATOM 47 N GLY A 5 -15.108 13.692 -22.887 1.00 0.00 N ATOM 48 CA GLY A 5 -14.886 14.069 -21.511 1.00 0.00 C ATOM 49 C GLY A 5 -15.967 14.987 -21.006 1.00 0.00 C ATOM 50 O GLY A 5 -16.952 14.527 -20.432 1.00 0.00 O ATOM 0 H GLY A 5 -15.822 14.237 -23.370 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.848 13.174 -20.890 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.918 14.561 -21.420 1.00 0.00 H new ATOM 54 N LYS A 6 -15.780 16.285 -21.237 1.00 0.00 N ATOM 55 CA LYS A 6 -16.741 17.321 -20.838 1.00 0.00 C ATOM 56 C LYS A 6 -16.998 17.338 -19.329 1.00 0.00 C ATOM 57 O LYS A 6 -17.865 16.623 -18.817 1.00 0.00 O ATOM 58 CB LYS A 6 -18.062 17.186 -21.607 1.00 0.00 C ATOM 59 CG LYS A 6 -17.946 17.491 -23.095 1.00 0.00 C ATOM 60 CD LYS A 6 -19.281 17.323 -23.810 1.00 0.00 C ATOM 61 CE LYS A 6 -20.323 18.313 -23.306 1.00 0.00 C ATOM 62 NZ LYS A 6 -21.640 18.116 -23.964 1.00 0.00 N ATOM 0 H LYS A 6 -14.954 16.653 -21.709 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.284 18.276 -21.098 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -18.441 16.172 -21.483 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.798 17.857 -21.165 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.586 18.511 -23.231 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -17.206 16.830 -23.546 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.139 17.460 -24.882 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.646 16.306 -23.664 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.436 18.203 -22.228 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -19.975 19.330 -23.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -22.321 18.809 -23.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.538 18.246 -24.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -21.985 17.154 -23.770 1.00 0.00 H new ATOM 76 N GLY A 7 -16.227 18.138 -18.625 1.00 0.00 N ATOM 77 CA GLY A 7 -16.419 18.289 -17.202 1.00 0.00 C ATOM 78 C GLY A 7 -17.088 19.605 -16.886 1.00 0.00 C ATOM 79 O GLY A 7 -18.282 19.644 -16.583 1.00 0.00 O ATOM 0 H GLY A 7 -15.464 18.692 -19.015 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.027 17.467 -16.824 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.457 18.234 -16.693 1.00 0.00 H new ATOM 83 N GLU A 8 -16.308 20.685 -16.974 1.00 0.00 N ATOM 84 CA GLU A 8 -16.786 22.059 -16.771 1.00 0.00 C ATOM 85 C GLU A 8 -17.416 22.282 -15.393 1.00 0.00 C ATOM 86 O GLU A 8 -18.569 21.927 -15.150 1.00 0.00 O ATOM 87 CB GLU A 8 -17.750 22.473 -17.885 1.00 0.00 C ATOM 88 CG GLU A 8 -17.148 22.343 -19.271 1.00 0.00 C ATOM 89 CD GLU A 8 -18.005 22.959 -20.348 1.00 0.00 C ATOM 90 OE1 GLU A 8 -18.997 22.334 -20.757 1.00 0.00 O ATOM 91 OE2 GLU A 8 -17.668 24.070 -20.811 1.00 0.00 O ATOM 0 H GLU A 8 -15.313 20.631 -17.191 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.904 22.699 -16.812 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -18.649 21.859 -17.827 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -18.059 23.506 -17.725 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.167 22.817 -19.280 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.994 21.288 -19.496 1.00 0.00 H new ATOM 98 N LYS A 9 -16.652 22.888 -14.505 1.00 0.00 N ATOM 99 CA LYS A 9 -17.122 23.184 -13.155 1.00 0.00 C ATOM 100 C LYS A 9 -17.764 24.566 -13.118 1.00 0.00 C ATOM 101 O LYS A 9 -18.171 25.050 -12.061 1.00 0.00 O ATOM 102 CB LYS A 9 -15.948 23.150 -12.170 1.00 0.00 C ATOM 103 CG LYS A 9 -15.112 21.886 -12.245 1.00 0.00 C ATOM 104 CD LYS A 9 -13.933 21.949 -11.293 1.00 0.00 C ATOM 105 CE LYS A 9 -13.019 20.744 -11.455 1.00 0.00 C ATOM 106 NZ LYS A 9 -13.695 19.477 -11.093 1.00 0.00 N ATOM 0 H LYS A 9 -15.695 23.189 -14.691 1.00 0.00 H new ATOM 0 HA LYS A 9 -17.858 22.432 -12.870 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.305 24.010 -12.358 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -16.335 23.257 -11.157 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.732 21.022 -12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.752 21.745 -13.264 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.367 22.863 -11.474 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.296 21.996 -10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.674 20.688 -12.487 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.135 20.874 -10.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.012 18.694 -11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.076 19.550 -10.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.473 19.296 -11.759 1.00 0.00 H new ATOM 120 N CYS A 10 -17.858 25.190 -14.274 1.00 0.00 N ATOM 121 CA CYS A 10 -18.371 26.537 -14.364 1.00 0.00 C ATOM 122 C CYS A 10 -19.818 26.580 -14.804 1.00 0.00 C ATOM 123 O CYS A 10 -20.356 25.607 -15.337 1.00 0.00 O ATOM 124 CB CYS A 10 -17.506 27.360 -15.296 1.00 0.00 C ATOM 125 SG CYS A 10 -15.775 27.373 -14.822 1.00 0.00 S ATOM 0 H CYS A 10 -17.584 24.781 -15.167 1.00 0.00 H new ATOM 0 HA CYS A 10 -18.335 26.965 -13.362 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -17.596 26.966 -16.308 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -17.878 28.384 -15.318 1.00 0.00 H new ATOM 130 N THR A 11 -20.432 27.724 -14.583 1.00 0.00 N ATOM 131 CA THR A 11 -21.818 27.934 -14.907 1.00 0.00 C ATOM 132 C THR A 11 -21.954 28.690 -16.225 1.00 0.00 C ATOM 133 O THR A 11 -20.951 29.123 -16.811 1.00 0.00 O ATOM 134 CB THR A 11 -22.501 28.742 -13.797 1.00 0.00 C ATOM 135 OG1 THR A 11 -21.824 30.001 -13.637 1.00 0.00 O ATOM 136 CG2 THR A 11 -22.460 27.985 -12.479 1.00 0.00 C ATOM 0 H THR A 11 -19.975 28.537 -14.170 1.00 0.00 H new ATOM 0 HA THR A 11 -22.295 26.959 -15.002 1.00 0.00 H new ATOM 0 HB THR A 11 -23.541 28.907 -14.077 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.260 30.519 -12.929 1.00 0.00 H new ATOM 0 HG21 THR A 11 -22.950 28.576 -11.705 1.00 0.00 H new ATOM 0 HG22 THR A 11 -22.978 27.032 -12.590 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.423 27.804 -12.196 1.00 0.00 H new ATOM 144 N SER A 12 -23.188 28.863 -16.677 1.00 0.00 N ATOM 145 CA SER A 12 -23.465 29.579 -17.911 1.00 0.00 C ATOM 146 C SER A 12 -23.003 31.036 -17.822 1.00 0.00 C ATOM 147 O SER A 12 -22.601 31.625 -18.818 1.00 0.00 O ATOM 148 CB SER A 12 -24.954 29.518 -18.225 1.00 0.00 C ATOM 149 OG SER A 12 -25.420 28.175 -18.205 1.00 0.00 O ATOM 0 H SER A 12 -24.020 28.513 -16.201 1.00 0.00 H new ATOM 0 HA SER A 12 -22.908 29.098 -18.715 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.508 30.111 -17.497 1.00 0.00 H new ATOM 0 HB3 SER A 12 -25.142 29.958 -19.204 1.00 0.00 H new ATOM 0 HG SER A 12 -26.379 28.158 -18.407 1.00 0.00 H new ATOM 155 N ALA A 13 -23.055 31.608 -16.617 1.00 0.00 N ATOM 156 CA ALA A 13 -22.630 32.984 -16.410 1.00 0.00 C ATOM 157 C ALA A 13 -21.135 33.117 -16.625 1.00 0.00 C ATOM 158 O ALA A 13 -20.673 34.045 -17.278 1.00 0.00 O ATOM 159 CB ALA A 13 -22.999 33.456 -15.013 1.00 0.00 C ATOM 0 H ALA A 13 -23.387 31.137 -15.775 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.146 33.611 -17.137 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.672 34.487 -14.879 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -24.080 33.398 -14.883 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.510 32.822 -14.274 1.00 0.00 H new ATOM 165 N CYS A 14 -20.387 32.180 -16.086 1.00 0.00 N ATOM 166 CA CYS A 14 -18.942 32.208 -16.199 1.00 0.00 C ATOM 167 C CYS A 14 -18.501 31.899 -17.626 1.00 0.00 C ATOM 168 O CYS A 14 -17.634 32.572 -18.178 1.00 0.00 O ATOM 169 CB CYS A 14 -18.317 31.215 -15.224 1.00 0.00 C ATOM 170 SG CYS A 14 -16.518 31.234 -15.201 1.00 0.00 S ATOM 0 H CYS A 14 -20.755 31.386 -15.563 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.599 33.212 -15.948 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -18.684 31.429 -14.220 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.655 30.211 -15.480 1.00 0.00 H new ATOM 175 N ARG A 15 -19.133 30.903 -18.234 1.00 0.00 N ATOM 176 CA ARG A 15 -18.779 30.500 -19.587 1.00 0.00 C ATOM 177 C ARG A 15 -19.392 31.447 -20.630 1.00 0.00 C ATOM 178 O ARG A 15 -19.261 31.234 -21.834 1.00 0.00 O ATOM 179 CB ARG A 15 -19.216 29.056 -19.857 1.00 0.00 C ATOM 180 CG ARG A 15 -18.607 28.478 -21.121 1.00 0.00 C ATOM 181 CD ARG A 15 -19.191 27.130 -21.474 1.00 0.00 C ATOM 182 NE ARG A 15 -18.588 26.606 -22.697 1.00 0.00 N ATOM 183 CZ ARG A 15 -19.246 25.943 -23.642 1.00 0.00 C ATOM 184 NH1 ARG A 15 -20.544 25.708 -23.515 1.00 0.00 N ATOM 185 NH2 ARG A 15 -18.601 25.519 -24.722 1.00 0.00 N ATOM 0 H ARG A 15 -19.889 30.363 -17.814 1.00 0.00 H new ATOM 0 HA ARG A 15 -17.694 30.557 -19.674 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -18.936 28.433 -19.008 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -20.303 29.020 -19.934 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -18.768 29.169 -21.948 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -17.529 28.382 -20.991 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.026 26.431 -20.654 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -20.269 27.219 -21.605 1.00 0.00 H new ATOM 0 HE ARG A 15 -17.589 26.760 -22.836 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -21.043 26.037 -22.689 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -21.044 25.199 -24.244 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -17.603 25.702 -24.825 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -19.103 25.010 -25.449 1.00 0.00 H new ATOM 199 N SER A 16 -20.059 32.483 -20.169 1.00 0.00 N ATOM 200 CA SER A 16 -20.648 33.443 -21.064 1.00 0.00 C ATOM 201 C SER A 16 -19.548 34.306 -21.677 1.00 0.00 C ATOM 202 O SER A 16 -18.408 34.313 -21.194 1.00 0.00 O ATOM 203 CB SER A 16 -21.670 34.311 -20.320 1.00 0.00 C ATOM 204 OG SER A 16 -22.444 35.093 -21.219 1.00 0.00 O ATOM 0 H SER A 16 -20.204 32.678 -19.178 1.00 0.00 H new ATOM 0 HA SER A 16 -21.172 32.918 -21.862 1.00 0.00 H new ATOM 0 HB2 SER A 16 -22.329 33.674 -19.731 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.151 34.966 -19.620 1.00 0.00 H new ATOM 0 HG SER A 16 -23.086 35.633 -20.713 1.00 0.00 H new ATOM 210 N GLU A 17 -19.882 35.015 -22.729 1.00 0.00 N ATOM 211 CA GLU A 17 -18.927 35.860 -23.415 1.00 0.00 C ATOM 212 C GLU A 17 -19.405 37.316 -23.382 1.00 0.00 C ATOM 213 O GLU A 17 -20.352 37.669 -24.090 1.00 0.00 O ATOM 214 CB GLU A 17 -18.789 35.396 -24.868 1.00 0.00 C ATOM 215 CG GLU A 17 -18.446 33.918 -25.025 1.00 0.00 C ATOM 216 CD GLU A 17 -16.997 33.610 -24.733 1.00 0.00 C ATOM 217 OE1 GLU A 17 -16.196 33.573 -25.692 1.00 0.00 O ATOM 218 OE2 GLU A 17 -16.647 33.399 -23.555 1.00 0.00 O ATOM 0 H GLU A 17 -20.818 35.024 -23.134 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.960 35.790 -22.917 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.723 35.598 -25.392 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.016 35.990 -25.355 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.077 33.332 -24.357 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.680 33.603 -26.042 1.00 0.00 H new ATOM 225 N PRO A 18 -18.785 38.185 -22.553 1.00 0.00 N ATOM 226 CA PRO A 18 -17.676 37.822 -21.663 1.00 0.00 C ATOM 227 C PRO A 18 -18.171 37.191 -20.362 1.00 0.00 C ATOM 228 O PRO A 18 -19.378 37.006 -20.174 1.00 0.00 O ATOM 229 CB PRO A 18 -17.025 39.169 -21.378 1.00 0.00 C ATOM 230 CG PRO A 18 -18.159 40.131 -21.396 1.00 0.00 C ATOM 231 CD PRO A 18 -19.133 39.615 -22.426 1.00 0.00 C ATOM 0 HA PRO A 18 -17.007 37.084 -22.106 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.517 39.170 -20.414 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.279 39.419 -22.132 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.629 40.197 -20.415 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.815 41.133 -21.653 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -20.165 39.749 -22.103 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -19.026 40.139 -23.376 1.00 0.00 H new ATOM 239 N CYS A 19 -17.243 36.884 -19.464 1.00 0.00 N ATOM 240 CA CYS A 19 -17.575 36.236 -18.213 1.00 0.00 C ATOM 241 C CYS A 19 -18.507 37.105 -17.372 1.00 0.00 C ATOM 242 O CYS A 19 -18.247 38.295 -17.159 1.00 0.00 O ATOM 243 CB CYS A 19 -16.306 35.916 -17.437 1.00 0.00 C ATOM 244 SG CYS A 19 -16.577 34.909 -15.975 1.00 0.00 S ATOM 0 H CYS A 19 -16.249 37.077 -19.586 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.097 35.306 -18.440 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.609 35.399 -18.097 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.830 36.850 -17.139 1.00 0.00 H new ATOM 249 N GLN A 20 -19.594 36.505 -16.908 1.00 0.00 N ATOM 250 CA GLN A 20 -20.595 37.203 -16.111 1.00 0.00 C ATOM 251 C GLN A 20 -20.641 36.641 -14.700 1.00 0.00 C ATOM 252 O GLN A 20 -21.573 36.912 -13.943 1.00 0.00 O ATOM 253 CB GLN A 20 -21.967 37.050 -16.756 1.00 0.00 C ATOM 254 CG GLN A 20 -22.010 37.465 -18.208 1.00 0.00 C ATOM 255 CD GLN A 20 -21.751 38.946 -18.406 1.00 0.00 C ATOM 256 OE1 GLN A 20 -22.080 39.772 -17.551 1.00 0.00 O ATOM 257 NE2 GLN A 20 -21.159 39.293 -19.527 1.00 0.00 N ATOM 0 H GLN A 20 -19.808 35.521 -17.073 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.324 38.258 -16.065 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.281 36.009 -16.676 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -22.689 37.645 -16.197 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.268 36.894 -18.766 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -22.985 37.213 -18.624 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.902 38.580 -20.210 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -20.956 40.275 -19.714 1.00 0.00 H new ATOM 266 N CYS A 21 -19.634 35.861 -14.349 1.00 0.00 N ATOM 267 CA CYS A 21 -19.568 35.256 -13.031 1.00 0.00 C ATOM 268 C CYS A 21 -19.327 36.365 -11.987 1.00 0.00 C ATOM 269 O CYS A 21 -19.804 36.291 -10.846 1.00 0.00 O ATOM 270 CB CYS A 21 -18.452 34.199 -13.005 1.00 0.00 C ATOM 271 SG CYS A 21 -18.719 32.815 -11.875 1.00 0.00 S ATOM 0 H CYS A 21 -18.850 35.632 -14.959 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.505 34.754 -12.791 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -18.326 33.804 -14.013 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.517 34.690 -12.736 1.00 0.00 H new ATOM 276 N GLY A 22 -18.602 37.405 -12.420 1.00 0.00 N ATOM 277 CA GLY A 22 -18.364 38.589 -11.606 1.00 0.00 C ATOM 278 C GLY A 22 -17.642 38.325 -10.309 1.00 0.00 C ATOM 279 O GLY A 22 -17.025 37.283 -10.126 1.00 0.00 O ATOM 0 H GLY A 22 -18.168 37.443 -13.342 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.785 39.305 -12.190 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -19.322 39.060 -11.384 1.00 0.00 H new ATOM 283 N SER A 23 -17.729 39.281 -9.401 1.00 0.00 N ATOM 284 CA SER A 23 -17.089 39.179 -8.109 1.00 0.00 C ATOM 285 C SER A 23 -17.871 38.244 -7.188 1.00 0.00 C ATOM 286 O SER A 23 -17.421 37.915 -6.085 1.00 0.00 O ATOM 287 CB SER A 23 -16.961 40.565 -7.483 1.00 0.00 C ATOM 288 OG SER A 23 -16.313 41.466 -8.373 1.00 0.00 O ATOM 0 H SER A 23 -18.246 40.149 -9.542 1.00 0.00 H new ATOM 0 HA SER A 23 -16.092 38.759 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 23 -17.950 40.947 -7.229 1.00 0.00 H new ATOM 0 HB3 SER A 23 -16.397 40.498 -6.553 1.00 0.00 H new ATOM 0 HG SER A 23 -16.243 42.348 -7.952 1.00 0.00 H new ATOM 294 N LYS A 24 -19.047 37.813 -7.645 1.00 0.00 N ATOM 295 CA LYS A 24 -19.847 36.883 -6.887 1.00 0.00 C ATOM 296 C LYS A 24 -19.272 35.506 -7.072 1.00 0.00 C ATOM 297 O LYS A 24 -19.102 34.759 -6.112 1.00 0.00 O ATOM 298 CB LYS A 24 -21.308 36.911 -7.337 1.00 0.00 C ATOM 299 CG LYS A 24 -21.991 38.254 -7.135 1.00 0.00 C ATOM 300 CD LYS A 24 -23.474 38.185 -7.475 1.00 0.00 C ATOM 301 CE LYS A 24 -24.226 37.273 -6.516 1.00 0.00 C ATOM 302 NZ LYS A 24 -25.671 37.208 -6.835 1.00 0.00 N ATOM 0 H LYS A 24 -19.456 38.099 -8.535 1.00 0.00 H new ATOM 0 HA LYS A 24 -19.827 37.165 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -21.358 36.645 -8.393 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -21.861 36.148 -6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -21.869 38.573 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -21.508 39.006 -7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -23.903 39.186 -7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -23.598 37.822 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -23.799 36.271 -6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -24.095 37.632 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -26.148 36.577 -6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -26.084 38.160 -6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -25.797 36.841 -7.800 1.00 0.00 H new ATOM 316 N CYS A 25 -18.956 35.195 -8.324 1.00 0.00 N ATOM 317 CA CYS A 25 -18.324 33.951 -8.697 1.00 0.00 C ATOM 318 C CYS A 25 -19.177 32.742 -8.315 1.00 0.00 C ATOM 319 O CYS A 25 -19.140 32.256 -7.182 1.00 0.00 O ATOM 320 CB CYS A 25 -16.938 33.863 -8.086 1.00 0.00 C ATOM 321 SG CYS A 25 -15.858 32.738 -8.944 1.00 0.00 S ATOM 0 H CYS A 25 -19.137 35.814 -9.114 1.00 0.00 H new ATOM 0 HA CYS A 25 -18.226 33.937 -9.782 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -16.487 34.855 -8.081 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -17.027 33.548 -7.046 1.00 0.00 H new ATOM 326 N GLN A 26 -19.949 32.275 -9.267 1.00 0.00 N ATOM 327 CA GLN A 26 -20.849 31.153 -9.055 1.00 0.00 C ATOM 328 C GLN A 26 -20.288 29.857 -9.651 1.00 0.00 C ATOM 329 O GLN A 26 -20.937 28.813 -9.599 1.00 0.00 O ATOM 330 CB GLN A 26 -22.207 31.453 -9.685 1.00 0.00 C ATOM 331 CG GLN A 26 -22.854 32.735 -9.187 1.00 0.00 C ATOM 332 CD GLN A 26 -23.222 32.677 -7.718 1.00 0.00 C ATOM 333 OE1 GLN A 26 -22.436 33.052 -6.847 1.00 0.00 O ATOM 334 NE2 GLN A 26 -24.421 32.208 -7.433 1.00 0.00 N ATOM 0 H GLN A 26 -19.975 32.658 -10.212 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.958 31.014 -7.979 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -22.088 31.516 -10.767 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.880 30.619 -9.486 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.172 33.569 -9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -23.751 32.935 -9.774 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -25.043 31.907 -8.184 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.727 32.146 -6.462 1.00 0.00 H new ATOM 343 N CYS A 27 -19.095 29.924 -10.214 1.00 0.00 N ATOM 344 CA CYS A 27 -18.490 28.753 -10.842 1.00 0.00 C ATOM 345 C CYS A 27 -17.642 27.959 -9.840 1.00 0.00 C ATOM 346 O CYS A 27 -17.844 28.042 -8.621 1.00 0.00 O ATOM 347 CB CYS A 27 -17.627 29.179 -12.037 1.00 0.00 C ATOM 348 SG CYS A 27 -16.062 29.939 -11.595 1.00 0.00 S ATOM 0 H CYS A 27 -18.525 30.769 -10.252 1.00 0.00 H new ATOM 0 HA CYS A 27 -19.295 28.107 -11.192 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -17.429 28.304 -12.656 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -18.196 29.879 -12.648 1.00 0.00 H new ATOM 353 N GLY A 28 -16.726 27.169 -10.366 1.00 0.00 N ATOM 354 CA GLY A 28 -15.822 26.397 -9.557 1.00 0.00 C ATOM 355 C GLY A 28 -14.454 26.397 -10.184 1.00 0.00 C ATOM 356 O GLY A 28 -14.340 26.622 -11.386 1.00 0.00 O ATOM 0 H GLY A 28 -16.593 27.049 -11.370 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.772 26.815 -8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.188 25.375 -9.460 1.00 0.00 H new ATOM 360 N GLU A 29 -13.420 26.153 -9.390 1.00 0.00 N ATOM 361 CA GLU A 29 -12.049 26.175 -9.887 1.00 0.00 C ATOM 362 C GLU A 29 -11.827 25.157 -10.998 1.00 0.00 C ATOM 363 O GLU A 29 -11.552 23.980 -10.749 1.00 0.00 O ATOM 364 CB GLU A 29 -11.030 25.970 -8.759 1.00 0.00 C ATOM 365 CG GLU A 29 -11.044 27.068 -7.705 1.00 0.00 C ATOM 366 CD GLU A 29 -11.951 26.758 -6.535 1.00 0.00 C ATOM 367 OE1 GLU A 29 -11.442 26.671 -5.402 1.00 0.00 O ATOM 368 OE2 GLU A 29 -13.169 26.583 -6.737 1.00 0.00 O ATOM 0 H GLU A 29 -13.504 25.937 -8.397 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.891 27.168 -10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.227 25.013 -8.275 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.032 25.909 -9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.029 27.224 -7.339 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.364 28.002 -8.167 1.00 0.00 H new ATOM 375 N GLY A 30 -11.973 25.625 -12.216 1.00 0.00 N ATOM 376 CA GLY A 30 -11.780 24.808 -13.379 1.00 0.00 C ATOM 377 C GLY A 30 -11.664 25.661 -14.610 1.00 0.00 C ATOM 378 O GLY A 30 -11.619 25.154 -15.735 1.00 0.00 O ATOM 0 H GLY A 30 -12.231 26.590 -12.423 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.880 24.205 -13.261 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.615 24.116 -13.487 1.00 0.00 H new ATOM 382 N CYS A 31 -11.624 26.966 -14.391 1.00 0.00 N ATOM 383 CA CYS A 31 -11.494 27.927 -15.453 1.00 0.00 C ATOM 384 C CYS A 31 -10.233 28.737 -15.233 1.00 0.00 C ATOM 385 O CYS A 31 -9.529 28.551 -14.232 1.00 0.00 O ATOM 386 CB CYS A 31 -12.706 28.858 -15.479 1.00 0.00 C ATOM 387 SG CYS A 31 -12.860 29.899 -14.010 1.00 0.00 S ATOM 0 H CYS A 31 -11.682 27.382 -13.461 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.438 27.403 -16.407 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.643 29.497 -16.360 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.610 28.259 -15.584 1.00 0.00 H new ATOM 392 N THR A 32 -9.951 29.634 -16.137 1.00 0.00 N ATOM 393 CA THR A 32 -8.764 30.440 -16.050 1.00 0.00 C ATOM 394 C THR A 32 -9.108 31.916 -16.202 1.00 0.00 C ATOM 395 O THR A 32 -8.319 32.707 -16.721 1.00 0.00 O ATOM 396 CB THR A 32 -7.768 30.009 -17.132 1.00 0.00 C ATOM 397 OG1 THR A 32 -8.431 29.980 -18.405 1.00 0.00 O ATOM 398 CG2 THR A 32 -7.220 28.622 -16.815 1.00 0.00 C ATOM 0 H THR A 32 -10.534 29.827 -16.951 1.00 0.00 H new ATOM 0 HA THR A 32 -8.309 30.296 -15.070 1.00 0.00 H new ATOM 0 HB THR A 32 -6.943 30.721 -17.162 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.795 29.706 -19.099 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.513 28.324 -17.589 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.714 28.643 -15.850 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.041 27.906 -16.779 1.00 0.00 H new ATOM 406 N CYS A 33 -10.286 32.282 -15.712 1.00 0.00 N ATOM 407 CA CYS A 33 -10.782 33.640 -15.816 1.00 0.00 C ATOM 408 C CYS A 33 -9.937 34.647 -15.081 1.00 0.00 C ATOM 409 O CYS A 33 -9.357 34.361 -14.033 1.00 0.00 O ATOM 410 CB CYS A 33 -12.200 33.729 -15.290 1.00 0.00 C ATOM 411 SG CYS A 33 -13.403 32.941 -16.334 1.00 0.00 S ATOM 0 H CYS A 33 -10.920 31.643 -15.233 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.744 33.885 -16.877 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.239 33.275 -14.300 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.468 34.779 -15.171 1.00 0.00 H new ATOM 416 N ALA A 34 -9.895 35.826 -15.650 1.00 0.00 N ATOM 417 CA ALA A 34 -9.261 36.970 -15.059 1.00 0.00 C ATOM 418 C ALA A 34 -10.351 37.992 -14.772 1.00 0.00 C ATOM 419 O ALA A 34 -10.099 39.186 -14.632 1.00 0.00 O ATOM 420 CB ALA A 34 -8.216 37.544 -16.005 1.00 0.00 C ATOM 0 H ALA A 34 -10.313 36.018 -16.561 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.747 36.695 -14.138 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.744 38.411 -15.543 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.460 36.787 -16.214 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.695 37.845 -16.937 1.00 0.00 H new ATOM 426 N ALA A 35 -11.579 37.485 -14.680 1.00 0.00 N ATOM 427 CA ALA A 35 -12.745 38.309 -14.436 1.00 0.00 C ATOM 428 C ALA A 35 -13.339 37.997 -13.081 1.00 0.00 C ATOM 429 O ALA A 35 -13.368 38.850 -12.194 1.00 0.00 O ATOM 430 CB ALA A 35 -13.783 38.106 -15.535 1.00 0.00 C ATOM 0 H ALA A 35 -11.786 36.491 -14.774 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.436 39.354 -14.444 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.652 38.733 -15.335 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.352 38.380 -16.498 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -14.088 37.060 -15.559 1.00 0.00 H new ATOM 436 N CYS A 36 -13.804 36.774 -12.913 1.00 0.00 N ATOM 437 CA CYS A 36 -14.373 36.365 -11.652 1.00 0.00 C ATOM 438 C CYS A 36 -13.286 35.809 -10.753 1.00 0.00 C ATOM 439 O CYS A 36 -13.167 36.174 -9.585 1.00 0.00 O ATOM 440 CB CYS A 36 -15.454 35.322 -11.877 1.00 0.00 C ATOM 441 SG CYS A 36 -14.883 33.786 -12.640 1.00 0.00 S ATOM 0 H CYS A 36 -13.797 36.052 -13.633 1.00 0.00 H new ATOM 0 HA CYS A 36 -14.823 37.232 -11.169 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -15.915 35.085 -10.918 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -16.232 35.756 -12.506 1.00 0.00 H new ATOM 446 N LYS A 37 -12.458 34.963 -11.337 1.00 0.00 N ATOM 447 CA LYS A 37 -11.386 34.309 -10.621 1.00 0.00 C ATOM 448 C LYS A 37 -10.091 35.076 -10.809 1.00 0.00 C ATOM 449 O LYS A 37 -9.032 34.491 -11.051 1.00 0.00 O ATOM 450 CB LYS A 37 -11.223 32.871 -11.127 1.00 0.00 C ATOM 451 CG LYS A 37 -10.372 31.982 -10.226 1.00 0.00 C ATOM 452 CD LYS A 37 -9.915 30.725 -10.955 1.00 0.00 C ATOM 453 CE LYS A 37 -8.530 30.902 -11.578 1.00 0.00 C ATOM 454 NZ LYS A 37 -8.444 32.087 -12.478 1.00 0.00 N ATOM 0 H LYS A 37 -12.513 34.711 -12.324 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.630 34.286 -9.559 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.210 32.422 -11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.775 32.896 -12.121 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.502 32.540 -9.879 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.945 31.703 -9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.896 29.887 -10.258 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.635 30.475 -11.734 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.790 31.001 -10.784 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.274 30.005 -12.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.493 32.136 -12.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.152 32.000 -13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.627 32.952 -11.931 1.00 0.00 H new ATOM 468 N THR A 38 -10.174 36.371 -10.686 1.00 0.00 N ATOM 469 CA THR A 38 -9.018 37.210 -10.866 1.00 0.00 C ATOM 470 C THR A 38 -8.445 37.630 -9.525 1.00 0.00 C ATOM 471 O THR A 38 -9.185 37.875 -8.567 1.00 0.00 O ATOM 472 CB THR A 38 -9.336 38.462 -11.720 1.00 0.00 C ATOM 473 OG1 THR A 38 -8.124 39.139 -12.063 1.00 0.00 O ATOM 474 CG2 THR A 38 -10.267 39.422 -10.986 1.00 0.00 C ATOM 0 H THR A 38 -11.033 36.872 -10.461 1.00 0.00 H new ATOM 0 HA THR A 38 -8.276 36.619 -11.404 1.00 0.00 H new ATOM 0 HB THR A 38 -9.841 38.126 -12.625 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.332 39.929 -12.604 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.467 40.288 -11.617 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.205 38.916 -10.757 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.795 39.749 -10.059 1.00 0.00 H new ATOM 482 N CYS A 39 -7.138 37.683 -9.456 1.00 0.00 N ATOM 483 CA CYS A 39 -6.461 38.087 -8.256 1.00 0.00 C ATOM 484 C CYS A 39 -6.459 39.604 -8.156 1.00 0.00 C ATOM 485 O CYS A 39 -6.238 40.299 -9.152 1.00 0.00 O ATOM 486 CB CYS A 39 -5.036 37.546 -8.252 1.00 0.00 C ATOM 487 SG CYS A 39 -4.104 37.933 -6.765 1.00 0.00 S ATOM 0 H CYS A 39 -6.517 37.447 -10.230 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.985 37.680 -7.391 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.070 36.463 -8.374 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.505 37.948 -9.115 1.00 0.00 H new ATOM 492 N ASN A 40 -6.720 40.115 -6.969 1.00 0.00 N ATOM 493 CA ASN A 40 -6.780 41.555 -6.761 1.00 0.00 C ATOM 494 C ASN A 40 -5.565 42.053 -6.010 1.00 0.00 C ATOM 495 O ASN A 40 -5.495 43.225 -5.620 1.00 0.00 O ATOM 496 CB ASN A 40 -8.060 41.939 -6.017 1.00 0.00 C ATOM 497 CG ASN A 40 -9.297 41.823 -6.887 1.00 0.00 C ATOM 498 OD1 ASN A 40 -9.701 42.782 -7.544 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.904 40.650 -6.906 1.00 0.00 N ATOM 0 H ASN A 40 -6.894 39.558 -6.132 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.789 42.032 -7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.174 41.298 -5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.971 42.962 -5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.737 40.516 -7.479 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.539 39.878 -6.348 1.00 0.00 H new ATOM 506 N CYS A 41 -4.610 41.173 -5.805 1.00 0.00 N ATOM 507 CA CYS A 41 -3.397 41.532 -5.127 1.00 0.00 C ATOM 508 C CYS A 41 -2.449 42.219 -6.083 1.00 0.00 C ATOM 509 O CYS A 41 -2.233 41.759 -7.204 1.00 0.00 O ATOM 510 CB CYS A 41 -2.754 40.305 -4.514 1.00 0.00 C ATOM 511 SG CYS A 41 -3.811 39.470 -3.316 1.00 0.00 S ATOM 0 H CYS A 41 -4.657 40.199 -6.103 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.634 42.228 -4.322 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.493 39.605 -5.308 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.823 40.596 -4.027 1.00 0.00 H new ATOM 516 N THR A 42 -1.892 43.316 -5.642 1.00 0.00 N ATOM 517 CA THR A 42 -1.008 44.100 -6.467 1.00 0.00 C ATOM 518 C THR A 42 0.424 43.615 -6.326 1.00 0.00 C ATOM 519 O THR A 42 0.777 42.999 -5.322 1.00 0.00 O ATOM 520 CB THR A 42 -1.081 45.594 -6.077 1.00 0.00 C ATOM 521 OG1 THR A 42 -0.577 45.783 -4.739 1.00 0.00 O ATOM 522 CG2 THR A 42 -2.516 46.088 -6.139 1.00 0.00 C ATOM 0 H THR A 42 -2.037 43.691 -4.705 1.00 0.00 H new ATOM 0 HA THR A 42 -1.327 43.984 -7.503 1.00 0.00 H new ATOM 0 HB THR A 42 -0.472 46.161 -6.782 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.789 44.996 -4.195 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.550 47.142 -5.862 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.899 45.967 -7.152 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.130 45.511 -5.448 1.00 0.00 H new ATOM 530 N SER A 43 1.243 43.882 -7.330 1.00 0.00 N ATOM 531 CA SER A 43 2.650 43.532 -7.275 1.00 0.00 C ATOM 532 C SER A 43 3.322 44.341 -6.178 1.00 0.00 C ATOM 533 O SER A 43 4.280 43.900 -5.546 1.00 0.00 O ATOM 534 CB SER A 43 3.308 43.825 -8.619 1.00 0.00 C ATOM 535 OG SER A 43 2.563 43.245 -9.682 1.00 0.00 O ATOM 0 H SER A 43 0.955 44.341 -8.194 1.00 0.00 H new ATOM 0 HA SER A 43 2.756 42.469 -7.058 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.382 44.903 -8.766 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.325 43.432 -8.625 1.00 0.00 H new ATOM 0 HG SER A 43 3.000 43.446 -10.536 1.00 0.00 H new ATOM 541 N ASP A 44 2.779 45.523 -5.953 1.00 0.00 N ATOM 542 CA ASP A 44 3.262 46.425 -4.931 1.00 0.00 C ATOM 543 C ASP A 44 3.052 45.830 -3.542 1.00 0.00 C ATOM 544 O ASP A 44 3.941 45.880 -2.692 1.00 0.00 O ATOM 545 CB ASP A 44 2.530 47.760 -5.047 1.00 0.00 C ATOM 546 CG ASP A 44 2.956 48.755 -4.003 1.00 0.00 C ATOM 547 OD1 ASP A 44 2.260 48.880 -2.973 1.00 0.00 O ATOM 548 OD2 ASP A 44 3.987 49.426 -4.207 1.00 0.00 O ATOM 0 H ASP A 44 1.984 45.884 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 44 4.331 46.582 -5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.708 48.181 -6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.457 47.589 -4.962 1.00 0.00 H new ATOM 553 N GLY A 45 1.890 45.241 -3.335 1.00 0.00 N ATOM 554 CA GLY A 45 1.562 44.676 -2.052 1.00 0.00 C ATOM 555 C GLY A 45 0.450 43.658 -2.152 1.00 0.00 C ATOM 556 O GLY A 45 -0.552 43.880 -2.847 1.00 0.00 O ATOM 0 H GLY A 45 1.161 45.144 -4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.448 44.205 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.265 45.473 -1.370 1.00 0.00 H new ATOM 560 N CYS A 46 0.627 42.548 -1.475 1.00 0.00 N ATOM 561 CA CYS A 46 -0.354 41.479 -1.475 1.00 0.00 C ATOM 562 C CYS A 46 -1.579 41.895 -0.666 1.00 0.00 C ATOM 563 O CYS A 46 -1.465 42.650 0.300 1.00 0.00 O ATOM 564 CB CYS A 46 0.262 40.208 -0.894 1.00 0.00 C ATOM 565 SG CYS A 46 -0.695 38.710 -1.201 1.00 0.00 S ATOM 0 H CYS A 46 1.453 42.357 -0.908 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.665 41.279 -2.500 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.261 40.079 -1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.380 40.335 0.182 1.00 0.00 H new ATOM 570 N LYS A 47 -2.747 41.412 -1.060 1.00 0.00 N ATOM 571 CA LYS A 47 -3.980 41.793 -0.390 1.00 0.00 C ATOM 572 C LYS A 47 -4.561 40.665 0.451 1.00 0.00 C ATOM 573 O LYS A 47 -5.189 40.916 1.478 1.00 0.00 O ATOM 574 CB LYS A 47 -5.021 42.281 -1.403 1.00 0.00 C ATOM 575 CG LYS A 47 -4.634 43.563 -2.134 1.00 0.00 C ATOM 576 CD LYS A 47 -4.458 44.738 -1.174 1.00 0.00 C ATOM 577 CE LYS A 47 -5.741 45.053 -0.417 1.00 0.00 C ATOM 578 NZ LYS A 47 -5.553 46.168 0.545 1.00 0.00 N ATOM 0 H LYS A 47 -2.867 40.760 -1.835 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.726 42.608 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.191 41.495 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.966 42.443 -0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.706 43.401 -2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.401 43.807 -2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.664 44.509 -0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.141 45.619 -1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.527 45.313 -1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.075 44.164 0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.448 46.353 1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.821 45.910 1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.258 47.023 0.032 1.00 0.00 H new ATOM 592 N CYS A 48 -4.361 39.431 0.033 1.00 0.00 N ATOM 593 CA CYS A 48 -4.935 38.309 0.764 1.00 0.00 C ATOM 594 C CYS A 48 -3.983 37.803 1.847 1.00 0.00 C ATOM 595 O CYS A 48 -4.411 37.446 2.946 1.00 0.00 O ATOM 596 CB CYS A 48 -5.297 37.178 -0.187 1.00 0.00 C ATOM 597 SG CYS A 48 -3.872 36.360 -0.899 1.00 0.00 S ATOM 0 H CYS A 48 -3.817 39.178 -0.792 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.843 38.664 1.251 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.899 36.443 0.348 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.918 37.574 -0.991 1.00 0.00 H new ATOM 602 N GLY A 49 -2.696 37.775 1.536 1.00 0.00 N ATOM 603 CA GLY A 49 -1.718 37.307 2.496 1.00 0.00 C ATOM 604 C GLY A 49 -0.963 36.085 2.019 1.00 0.00 C ATOM 605 O GLY A 49 -0.026 35.628 2.681 1.00 0.00 O ATOM 0 H GLY A 49 -2.312 38.067 0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.009 38.108 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.220 37.074 3.435 1.00 0.00 H new ATOM 609 N LYS A 50 -1.357 35.553 0.867 1.00 0.00 N ATOM 610 CA LYS A 50 -0.692 34.383 0.298 1.00 0.00 C ATOM 611 C LYS A 50 0.639 34.775 -0.328 1.00 0.00 C ATOM 612 O LYS A 50 1.470 33.914 -0.640 1.00 0.00 O ATOM 613 CB LYS A 50 -1.576 33.717 -0.757 1.00 0.00 C ATOM 614 CG LYS A 50 -2.936 33.263 -0.246 1.00 0.00 C ATOM 615 CD LYS A 50 -2.811 32.206 0.827 1.00 0.00 C ATOM 616 CE LYS A 50 -4.170 31.613 1.169 1.00 0.00 C ATOM 617 NZ LYS A 50 -4.059 30.484 2.124 1.00 0.00 N ATOM 0 H LYS A 50 -2.132 35.911 0.309 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.511 33.675 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.726 34.415 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.048 32.854 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.479 34.121 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.523 32.870 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.140 31.416 0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.365 32.641 1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.807 32.388 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.656 31.269 0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.007 30.109 2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.473 29.733 1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.619 30.817 3.006 1.00 0.00 H new ATOM 631 N GLU A 51 0.832 36.090 -0.504 1.00 0.00 N ATOM 632 CA GLU A 51 2.049 36.657 -1.096 1.00 0.00 C ATOM 633 C GLU A 51 2.109 36.363 -2.587 1.00 0.00 C ATOM 634 O GLU A 51 3.184 36.283 -3.183 1.00 0.00 O ATOM 635 CB GLU A 51 3.307 36.156 -0.381 1.00 0.00 C ATOM 636 CG GLU A 51 3.366 36.553 1.083 1.00 0.00 C ATOM 637 CD GLU A 51 4.622 36.071 1.763 1.00 0.00 C ATOM 638 OE1 GLU A 51 4.636 34.924 2.247 1.00 0.00 O ATOM 639 OE2 GLU A 51 5.608 36.835 1.812 1.00 0.00 O ATOM 0 H GLU A 51 0.143 36.793 -0.237 1.00 0.00 H new ATOM 0 HA GLU A 51 2.011 37.738 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.351 35.070 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.187 36.547 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.307 37.638 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.498 36.147 1.601 1.00 0.00 H new ATOM 646 N CYS A 52 0.943 36.221 -3.180 1.00 0.00 N ATOM 647 CA CYS A 52 0.817 35.968 -4.599 1.00 0.00 C ATOM 648 C CYS A 52 1.111 37.236 -5.389 1.00 0.00 C ATOM 649 O CYS A 52 1.821 37.205 -6.398 1.00 0.00 O ATOM 650 CB CYS A 52 -0.586 35.480 -4.885 1.00 0.00 C ATOM 651 SG CYS A 52 -1.852 36.361 -3.956 1.00 0.00 S ATOM 0 H CYS A 52 0.051 36.278 -2.688 1.00 0.00 H new ATOM 0 HA CYS A 52 1.536 35.207 -4.902 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.789 35.585 -5.951 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.648 34.417 -4.651 1.00 0.00 H new ATOM 656 N THR A 53 0.556 38.352 -4.910 1.00 0.00 N ATOM 657 CA THR A 53 0.756 39.687 -5.492 1.00 0.00 C ATOM 658 C THR A 53 0.425 39.747 -6.987 1.00 0.00 C ATOM 659 O THR A 53 1.017 40.529 -7.733 1.00 0.00 O ATOM 660 CB THR A 53 2.195 40.233 -5.234 1.00 0.00 C ATOM 661 OG1 THR A 53 3.200 39.323 -5.727 1.00 0.00 O ATOM 662 CG2 THR A 53 2.409 40.465 -3.750 1.00 0.00 C ATOM 0 H THR A 53 -0.055 38.356 -4.094 1.00 0.00 H new ATOM 0 HA THR A 53 0.046 40.333 -4.976 1.00 0.00 H new ATOM 0 HB THR A 53 2.291 41.177 -5.771 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.783 38.669 -6.326 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.417 40.846 -3.583 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.682 41.191 -3.387 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.283 39.525 -3.213 1.00 0.00 H new ATOM 670 N GLY A 54 -0.535 38.946 -7.413 1.00 0.00 N ATOM 671 CA GLY A 54 -0.923 38.948 -8.802 1.00 0.00 C ATOM 672 C GLY A 54 -1.295 37.570 -9.295 1.00 0.00 C ATOM 673 O GLY A 54 -0.818 36.572 -8.759 1.00 0.00 O ATOM 0 H GLY A 54 -1.052 38.295 -6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.769 39.621 -8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.103 39.338 -9.405 1.00 0.00 H new ATOM 677 N PRO A 55 -2.138 37.481 -10.344 1.00 0.00 N ATOM 678 CA PRO A 55 -2.609 36.198 -10.887 1.00 0.00 C ATOM 679 C PRO A 55 -1.466 35.317 -11.394 1.00 0.00 C ATOM 680 O PRO A 55 -1.556 34.084 -11.359 1.00 0.00 O ATOM 681 CB PRO A 55 -3.527 36.607 -12.051 1.00 0.00 C ATOM 682 CG PRO A 55 -3.142 38.012 -12.375 1.00 0.00 C ATOM 683 CD PRO A 55 -2.695 38.629 -11.082 1.00 0.00 C ATOM 0 HA PRO A 55 -3.108 35.601 -10.124 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.388 35.952 -12.911 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.577 36.542 -11.766 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.342 38.036 -13.115 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.984 38.560 -12.798 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.948 39.407 -11.242 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.525 39.090 -10.546 1.00 0.00 H new ATOM 691 N ASP A 56 -0.382 35.953 -11.830 1.00 0.00 N ATOM 692 CA ASP A 56 0.777 35.238 -12.370 1.00 0.00 C ATOM 693 C ASP A 56 1.412 34.351 -11.315 1.00 0.00 C ATOM 694 O ASP A 56 1.995 33.320 -11.630 1.00 0.00 O ATOM 695 CB ASP A 56 1.828 36.216 -12.903 1.00 0.00 C ATOM 696 CG ASP A 56 1.296 37.124 -13.985 1.00 0.00 C ATOM 697 OD1 ASP A 56 0.971 38.294 -13.681 1.00 0.00 O ATOM 698 OD2 ASP A 56 1.197 36.677 -15.142 1.00 0.00 O ATOM 0 H ASP A 56 -0.279 36.968 -11.821 1.00 0.00 H new ATOM 0 HA ASP A 56 0.418 34.617 -13.190 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.202 36.823 -12.079 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.675 35.652 -13.294 1.00 0.00 H new ATOM 703 N SER A 57 1.294 34.750 -10.067 1.00 0.00 N ATOM 704 CA SER A 57 1.883 34.002 -8.979 1.00 0.00 C ATOM 705 C SER A 57 0.830 33.684 -7.917 1.00 0.00 C ATOM 706 O SER A 57 1.159 33.419 -6.763 1.00 0.00 O ATOM 707 CB SER A 57 3.041 34.804 -8.372 1.00 0.00 C ATOM 708 OG SER A 57 3.798 34.019 -7.467 1.00 0.00 O ATOM 0 H SER A 57 0.794 35.591 -9.781 1.00 0.00 H new ATOM 0 HA SER A 57 2.270 33.058 -9.362 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.689 35.169 -9.169 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.647 35.679 -7.855 1.00 0.00 H new ATOM 0 HG SER A 57 3.192 33.542 -6.862 1.00 0.00 H new ATOM 714 N CYS A 58 -0.431 33.689 -8.321 1.00 0.00 N ATOM 715 CA CYS A 58 -1.514 33.427 -7.395 1.00 0.00 C ATOM 716 C CYS A 58 -1.713 31.931 -7.203 1.00 0.00 C ATOM 717 O CYS A 58 -1.678 31.154 -8.164 1.00 0.00 O ATOM 718 CB CYS A 58 -2.807 34.092 -7.865 1.00 0.00 C ATOM 719 SG CYS A 58 -4.116 34.122 -6.620 1.00 0.00 S ATOM 0 H CYS A 58 -0.726 33.871 -9.280 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.244 33.859 -6.431 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.587 35.115 -8.170 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.172 33.568 -8.748 1.00 0.00 H new ATOM 724 N LYS A 59 -1.914 31.536 -5.964 1.00 0.00 N ATOM 725 CA LYS A 59 -2.089 30.135 -5.609 1.00 0.00 C ATOM 726 C LYS A 59 -3.472 29.913 -5.019 1.00 0.00 C ATOM 727 O LYS A 59 -3.772 28.846 -4.486 1.00 0.00 O ATOM 728 CB LYS A 59 -1.020 29.730 -4.586 1.00 0.00 C ATOM 729 CG LYS A 59 0.402 29.739 -5.133 1.00 0.00 C ATOM 730 CD LYS A 59 0.678 28.518 -6.001 1.00 0.00 C ATOM 731 CE LYS A 59 0.738 27.248 -5.163 1.00 0.00 C ATOM 732 NZ LYS A 59 0.967 26.038 -5.990 1.00 0.00 N ATOM 0 H LYS A 59 -1.962 32.174 -5.170 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.986 29.524 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.074 30.407 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.248 28.731 -4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.562 30.645 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.111 29.765 -4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.102 28.422 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.621 28.651 -6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.537 27.339 -4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.194 27.136 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.000 25.199 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.192 25.935 -6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.869 26.131 -6.499 1.00 0.00 H new ATOM 746 N CYS A 60 -4.304 30.916 -5.132 1.00 0.00 N ATOM 747 CA CYS A 60 -5.623 30.887 -4.548 1.00 0.00 C ATOM 748 C CYS A 60 -6.682 30.596 -5.599 1.00 0.00 C ATOM 749 O CYS A 60 -6.477 30.856 -6.787 1.00 0.00 O ATOM 750 CB CYS A 60 -5.877 32.224 -3.904 1.00 0.00 C ATOM 751 SG CYS A 60 -4.384 32.936 -3.197 1.00 0.00 S ATOM 0 H CYS A 60 -4.087 31.778 -5.632 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.677 30.091 -3.805 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.288 32.910 -4.645 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.628 32.111 -3.123 1.00 0.00 H new ATOM 756 N GLY A 61 -7.814 30.074 -5.159 1.00 0.00 N ATOM 757 CA GLY A 61 -8.879 29.730 -6.072 1.00 0.00 C ATOM 758 C GLY A 61 -9.786 30.902 -6.384 1.00 0.00 C ATOM 759 O GLY A 61 -9.351 31.897 -6.964 1.00 0.00 O ATOM 0 H GLY A 61 -8.015 29.881 -4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.448 29.353 -7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.472 28.922 -5.644 1.00 0.00 H new ATOM 763 N SER A 62 -11.035 30.791 -5.987 1.00 0.00 N ATOM 764 CA SER A 62 -12.026 31.821 -6.257 1.00 0.00 C ATOM 765 C SER A 62 -12.669 32.319 -4.961 1.00 0.00 C ATOM 766 O SER A 62 -13.330 33.350 -4.944 1.00 0.00 O ATOM 767 CB SER A 62 -13.107 31.267 -7.191 1.00 0.00 C ATOM 768 OG SER A 62 -12.530 30.660 -8.337 1.00 0.00 O ATOM 0 H SER A 62 -11.396 29.989 -5.470 1.00 0.00 H new ATOM 0 HA SER A 62 -11.524 32.662 -6.735 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.715 30.537 -6.656 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.774 32.073 -7.499 1.00 0.00 H new ATOM 0 HG SER A 62 -13.240 30.313 -8.916 1.00 0.00 H new ATOM 774 N SER A 63 -12.459 31.589 -3.876 1.00 0.00 N ATOM 775 CA SER A 63 -13.063 31.944 -2.602 1.00 0.00 C ATOM 776 C SER A 63 -12.033 32.509 -1.616 1.00 0.00 C ATOM 777 O SER A 63 -12.235 32.468 -0.401 1.00 0.00 O ATOM 778 CB SER A 63 -13.777 30.727 -2.007 1.00 0.00 C ATOM 779 OG SER A 63 -14.812 30.271 -2.873 1.00 0.00 O ATOM 0 H SER A 63 -11.878 30.751 -3.852 1.00 0.00 H new ATOM 0 HA SER A 63 -13.793 32.733 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.058 29.925 -1.839 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.198 30.986 -1.036 1.00 0.00 H new ATOM 0 HG SER A 63 -15.253 29.492 -2.474 1.00 0.00 H new ATOM 785 N CYS A 64 -10.942 33.054 -2.137 1.00 0.00 N ATOM 786 CA CYS A 64 -9.929 33.666 -1.287 1.00 0.00 C ATOM 787 C CYS A 64 -10.201 35.160 -1.152 1.00 0.00 C ATOM 788 O CYS A 64 -11.059 35.703 -1.846 1.00 0.00 O ATOM 789 CB CYS A 64 -8.517 33.425 -1.840 1.00 0.00 C ATOM 790 SG CYS A 64 -7.178 34.055 -0.779 1.00 0.00 S ATOM 0 H CYS A 64 -10.736 33.085 -3.136 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.982 33.202 -0.302 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.375 32.354 -1.987 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.439 33.894 -2.821 1.00 0.00 H new ATOM 795 N SER A 65 -9.460 35.815 -0.280 1.00 0.00 N ATOM 796 CA SER A 65 -9.637 37.229 -0.016 1.00 0.00 C ATOM 797 C SER A 65 -9.253 38.092 -1.222 1.00 0.00 C ATOM 798 O SER A 65 -9.716 39.223 -1.352 1.00 0.00 O ATOM 799 CB SER A 65 -8.813 37.626 1.201 1.00 0.00 C ATOM 800 OG SER A 65 -9.121 36.791 2.306 1.00 0.00 O ATOM 0 H SER A 65 -8.717 35.380 0.267 1.00 0.00 H new ATOM 0 HA SER A 65 -10.695 37.404 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.751 37.553 0.968 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.012 38.667 1.458 1.00 0.00 H new ATOM 0 HG SER A 65 -8.581 37.059 3.079 1.00 0.00 H new ATOM 806 N CYS A 66 -8.413 37.563 -2.105 1.00 0.00 N ATOM 807 CA CYS A 66 -7.992 38.316 -3.276 1.00 0.00 C ATOM 808 C CYS A 66 -8.912 38.068 -4.464 1.00 0.00 C ATOM 809 O CYS A 66 -8.669 38.571 -5.557 1.00 0.00 O ATOM 810 CB CYS A 66 -6.539 37.992 -3.649 1.00 0.00 C ATOM 811 SG CYS A 66 -6.173 36.238 -3.912 1.00 0.00 S ATOM 0 H CYS A 66 -8.015 36.627 -2.032 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.055 39.373 -3.018 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.285 38.538 -4.558 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.888 38.367 -2.859 1.00 0.00 H new ATOM 816 N LYS A 67 -9.979 37.311 -4.248 1.00 0.00 N ATOM 817 CA LYS A 67 -10.910 36.990 -5.325 1.00 0.00 C ATOM 818 C LYS A 67 -12.287 37.573 -5.037 1.00 0.00 C ATOM 819 O LYS A 67 -12.919 37.115 -4.048 1.00 0.00 O ATOM 820 CB LYS A 67 -11.007 35.470 -5.524 1.00 0.00 C ATOM 821 CG LYS A 67 -9.659 34.767 -5.628 1.00 0.00 C ATOM 822 CD LYS A 67 -8.783 35.388 -6.703 1.00 0.00 C ATOM 823 CE LYS A 67 -7.385 34.803 -6.688 1.00 0.00 C ATOM 824 NZ LYS A 67 -7.290 33.549 -7.462 1.00 0.00 N ATOM 0 H LYS A 67 -10.222 36.909 -3.343 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.530 37.436 -6.244 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.565 35.041 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.580 35.269 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.147 34.818 -4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.815 33.711 -5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.236 35.226 -7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.729 36.466 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.685 35.532 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.084 34.614 -5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.629 32.899 -6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.229 33.105 -7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.946 33.758 -8.421 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 ZN ZN A 101 -15.390 29.625 -13.853 1.00 0.00 ZN HETATM 840 ZN ZN A 102 -15.431 33.244 -14.967 1.00 0.00 ZN HETATM 841 ZN ZN A 103 -16.435 32.309 -11.196 1.00 0.00 ZN HETATM 842 ZN ZN A 104 -4.051 36.155 -5.330 1.00 0.00 ZN HETATM 843 ZN ZN A 105 -5.395 34.899 -2.229 1.00 0.00 ZN HETATM 844 ZN ZN A 106 -2.574 37.722 -2.347 1.00 0.00 ZN