USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=19 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 Set 1.1: A 11 THR OG1 : rot 157:sc= 0.265 USER MOD Set 1.2: A 26 GLN : amide:sc= 0.851 K(o=1.1,f=-0.71) USER MOD Single : A 1 GLY N :NH3+ -130:sc= -2.26! (180deg=-5.74!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0354) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= 0.651 (180deg=0.352) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 16 SER OG : rot 47:sc= 1.28 USER MOD Single : A 20 GLN : amide:sc= 0.199 K(o=0.2,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 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= -0.0518 (180deg=-0.592) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.946 K(o=0.95,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 43 SER OG : rot -20:sc= 0.649 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 14:sc= 0.845 USER MOD Single : A 57 SER OG : rot -36:sc= 0.757 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.301 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+ -150:sc= 2.33 (180deg=0.206) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.023 20.416 -21.242 1.00 0.00 N ATOM 2 CA GLY A 1 -9.999 21.362 -21.850 1.00 0.00 C ATOM 3 C GLY A 1 -11.406 21.169 -21.310 1.00 0.00 C ATOM 4 O GLY A 1 -11.596 20.989 -20.102 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.193 20.943 -20.903 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.470 19.922 -20.443 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.723 19.721 -21.955 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.676 22.385 -21.659 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.006 21.227 -22.932 1.00 0.00 H new ATOM 7 N SER A 2 -12.386 21.181 -22.199 1.00 0.00 N ATOM 8 CA SER A 2 -13.777 21.035 -21.806 1.00 0.00 C ATOM 9 C SER A 2 -14.104 19.582 -21.470 1.00 0.00 C ATOM 10 O SER A 2 -14.331 18.761 -22.364 1.00 0.00 O ATOM 11 CB SER A 2 -14.692 21.545 -22.917 1.00 0.00 C ATOM 12 OG SER A 2 -14.337 22.871 -23.289 1.00 0.00 O ATOM 0 H SER A 2 -12.242 21.291 -23.203 1.00 0.00 H new ATOM 0 HA SER A 2 -13.943 21.631 -20.909 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.622 20.887 -23.784 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.729 21.521 -22.581 1.00 0.00 H new ATOM 0 HG SER A 2 -14.932 23.181 -24.003 1.00 0.00 H new ATOM 18 N GLY A 3 -14.098 19.266 -20.179 1.00 0.00 N ATOM 19 CA GLY A 3 -14.397 17.916 -19.741 1.00 0.00 C ATOM 20 C GLY A 3 -13.285 16.947 -20.077 1.00 0.00 C ATOM 21 O GLY A 3 -13.497 15.733 -20.118 1.00 0.00 O ATOM 0 H GLY A 3 -13.891 19.923 -19.427 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -14.565 17.914 -18.664 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -15.323 17.581 -20.209 1.00 0.00 H new ATOM 25 N LYS A 4 -12.102 17.483 -20.325 1.00 0.00 N ATOM 26 CA LYS A 4 -10.947 16.673 -20.657 1.00 0.00 C ATOM 27 C LYS A 4 -10.110 16.444 -19.405 1.00 0.00 C ATOM 28 O LYS A 4 -9.989 15.316 -18.923 1.00 0.00 O ATOM 29 CB LYS A 4 -10.116 17.361 -21.745 1.00 0.00 C ATOM 30 CG LYS A 4 -8.999 16.508 -22.326 1.00 0.00 C ATOM 31 CD LYS A 4 -9.544 15.309 -23.083 1.00 0.00 C ATOM 32 CE LYS A 4 -8.440 14.581 -23.837 1.00 0.00 C ATOM 33 NZ LYS A 4 -7.390 14.052 -22.927 1.00 0.00 N ATOM 0 H LYS A 4 -11.918 18.486 -20.302 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.279 15.708 -21.041 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.781 17.665 -22.554 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.682 18.271 -21.331 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.389 17.114 -22.995 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.347 16.165 -21.522 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.024 14.623 -22.385 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.311 15.637 -23.785 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.873 13.758 -24.406 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.985 15.261 -24.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.696 13.507 -23.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.911 14.844 -22.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.828 13.435 -22.214 1.00 0.00 H new ATOM 47 N GLY A 5 -9.540 17.520 -18.876 1.00 0.00 N ATOM 48 CA GLY A 5 -8.784 17.419 -17.646 1.00 0.00 C ATOM 49 C GLY A 5 -9.709 17.205 -16.472 1.00 0.00 C ATOM 50 O GLY A 5 -9.500 16.310 -15.653 1.00 0.00 O ATOM 0 H GLY A 5 -9.588 18.457 -19.276 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.076 16.593 -17.714 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.200 18.327 -17.496 1.00 0.00 H new ATOM 54 N LYS A 6 -10.741 18.025 -16.406 1.00 0.00 N ATOM 55 CA LYS A 6 -11.761 17.925 -15.381 1.00 0.00 C ATOM 56 C LYS A 6 -13.000 18.694 -15.814 1.00 0.00 C ATOM 57 O LYS A 6 -13.021 19.278 -16.904 1.00 0.00 O ATOM 58 CB LYS A 6 -11.236 18.418 -14.025 1.00 0.00 C ATOM 59 CG LYS A 6 -10.588 19.785 -14.064 1.00 0.00 C ATOM 60 CD LYS A 6 -9.857 20.078 -12.768 1.00 0.00 C ATOM 61 CE LYS A 6 -9.145 21.414 -12.826 1.00 0.00 C ATOM 62 NZ LYS A 6 -10.098 22.539 -12.942 1.00 0.00 N ATOM 0 H LYS A 6 -10.896 18.785 -17.068 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.032 16.877 -15.254 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.063 18.442 -13.316 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.512 17.697 -13.646 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.889 19.836 -14.899 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.348 20.547 -14.237 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.566 20.077 -11.940 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.134 19.287 -12.569 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.539 21.542 -11.929 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.463 21.426 -13.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.592 23.438 -12.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.538 22.525 -13.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.835 22.446 -12.214 1.00 0.00 H new ATOM 76 N GLY A 7 -14.023 18.692 -14.986 1.00 0.00 N ATOM 77 CA GLY A 7 -15.256 19.343 -15.355 1.00 0.00 C ATOM 78 C GLY A 7 -15.478 20.669 -14.661 1.00 0.00 C ATOM 79 O GLY A 7 -15.786 20.708 -13.468 1.00 0.00 O ATOM 0 H GLY A 7 -14.024 18.253 -14.066 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.263 19.502 -16.433 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.089 18.679 -15.125 1.00 0.00 H new ATOM 83 N GLU A 8 -15.316 21.755 -15.407 1.00 0.00 N ATOM 84 CA GLU A 8 -15.577 23.087 -14.890 1.00 0.00 C ATOM 85 C GLU A 8 -17.073 23.321 -14.834 1.00 0.00 C ATOM 86 O GLU A 8 -17.761 23.264 -15.858 1.00 0.00 O ATOM 87 CB GLU A 8 -14.920 24.171 -15.758 1.00 0.00 C ATOM 88 CG GLU A 8 -13.432 24.387 -15.502 1.00 0.00 C ATOM 89 CD GLU A 8 -12.581 23.177 -15.811 1.00 0.00 C ATOM 90 OE1 GLU A 8 -12.612 22.699 -16.964 1.00 0.00 O ATOM 91 OE2 GLU A 8 -11.846 22.724 -14.912 1.00 0.00 O ATOM 0 H GLU A 8 -15.003 21.736 -16.378 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.147 23.151 -13.890 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.059 23.909 -16.807 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.442 25.113 -15.593 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.087 25.227 -16.105 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.288 24.664 -14.458 1.00 0.00 H new ATOM 98 N LYS A 9 -17.569 23.594 -13.650 1.00 0.00 N ATOM 99 CA LYS A 9 -18.989 23.789 -13.440 1.00 0.00 C ATOM 100 C LYS A 9 -19.352 25.247 -13.597 1.00 0.00 C ATOM 101 O LYS A 9 -19.958 25.854 -12.716 1.00 0.00 O ATOM 102 CB LYS A 9 -19.384 23.291 -12.063 1.00 0.00 C ATOM 103 CG LYS A 9 -19.034 21.836 -11.825 1.00 0.00 C ATOM 104 CD LYS A 9 -19.646 21.315 -10.542 1.00 0.00 C ATOM 105 CE LYS A 9 -19.180 22.106 -9.334 1.00 0.00 C ATOM 106 NZ LYS A 9 -19.824 21.635 -8.087 1.00 0.00 N ATOM 0 H LYS A 9 -17.004 23.687 -12.806 1.00 0.00 H new ATOM 0 HA LYS A 9 -19.535 23.217 -14.190 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -18.891 23.904 -11.308 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -20.458 23.425 -11.931 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -19.384 21.236 -12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.951 21.725 -11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -20.733 21.364 -10.611 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -19.382 20.265 -10.413 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.098 22.020 -9.239 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.404 23.162 -9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.480 22.200 -7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -20.856 21.740 -8.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -19.589 20.634 -7.932 1.00 0.00 H new ATOM 120 N CYS A 10 -18.947 25.804 -14.700 1.00 0.00 N ATOM 121 CA CYS A 10 -19.247 27.180 -15.016 1.00 0.00 C ATOM 122 C CYS A 10 -20.650 27.308 -15.567 1.00 0.00 C ATOM 123 O CYS A 10 -21.072 26.517 -16.411 1.00 0.00 O ATOM 124 CB CYS A 10 -18.228 27.725 -16.003 1.00 0.00 C ATOM 125 SG CYS A 10 -16.536 27.651 -15.389 1.00 0.00 S ATOM 0 H CYS A 10 -18.398 25.321 -15.411 1.00 0.00 H new ATOM 0 HA CYS A 10 -19.190 27.768 -14.100 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -18.295 27.161 -16.933 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -18.477 28.760 -16.239 1.00 0.00 H new ATOM 130 N THR A 11 -21.371 28.296 -15.080 1.00 0.00 N ATOM 131 CA THR A 11 -22.732 28.519 -15.496 1.00 0.00 C ATOM 132 C THR A 11 -22.785 29.261 -16.817 1.00 0.00 C ATOM 133 O THR A 11 -21.749 29.652 -17.367 1.00 0.00 O ATOM 134 CB THR A 11 -23.495 29.329 -14.442 1.00 0.00 C ATOM 135 OG1 THR A 11 -22.806 30.568 -14.201 1.00 0.00 O ATOM 136 CG2 THR A 11 -23.608 28.546 -13.145 1.00 0.00 C ATOM 0 H THR A 11 -21.028 28.962 -14.388 1.00 0.00 H new ATOM 0 HA THR A 11 -23.199 27.541 -15.615 1.00 0.00 H new ATOM 0 HB THR A 11 -24.500 29.532 -14.813 1.00 0.00 H new ATOM 0 HG1 THR A 11 -23.435 31.228 -13.842 1.00 0.00 H new ATOM 0 HG21 THR A 11 -24.153 29.138 -12.409 1.00 0.00 H new ATOM 0 HG22 THR A 11 -24.142 27.614 -13.328 1.00 0.00 H new ATOM 0 HG23 THR A 11 -22.610 28.324 -12.766 1.00 0.00 H new ATOM 144 N SER A 12 -23.990 29.466 -17.312 1.00 0.00 N ATOM 145 CA SER A 12 -24.208 30.178 -18.549 1.00 0.00 C ATOM 146 C SER A 12 -23.623 31.592 -18.485 1.00 0.00 C ATOM 147 O SER A 12 -23.068 32.081 -19.459 1.00 0.00 O ATOM 148 CB SER A 12 -25.700 30.218 -18.848 1.00 0.00 C ATOM 149 OG SER A 12 -26.443 30.503 -17.667 1.00 0.00 O ATOM 0 H SER A 12 -24.846 29.141 -16.863 1.00 0.00 H new ATOM 0 HA SER A 12 -23.695 29.654 -19.355 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.904 30.976 -19.604 1.00 0.00 H new ATOM 0 HB3 SER A 12 -26.019 29.261 -19.262 1.00 0.00 H new ATOM 0 HG SER A 12 -27.399 30.526 -17.880 1.00 0.00 H new ATOM 155 N ALA A 13 -23.727 32.229 -17.319 1.00 0.00 N ATOM 156 CA ALA A 13 -23.194 33.575 -17.132 1.00 0.00 C ATOM 157 C ALA A 13 -21.682 33.588 -17.308 1.00 0.00 C ATOM 158 O ALA A 13 -21.139 34.423 -18.024 1.00 0.00 O ATOM 159 CB ALA A 13 -23.566 34.112 -15.760 1.00 0.00 C ATOM 0 H ALA A 13 -24.175 31.834 -16.492 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.636 34.220 -17.891 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -23.160 35.116 -15.640 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -24.651 34.146 -15.665 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -23.154 33.460 -14.990 1.00 0.00 H new ATOM 165 N CYS A 14 -21.012 32.648 -16.667 1.00 0.00 N ATOM 166 CA CYS A 14 -19.563 32.555 -16.747 1.00 0.00 C ATOM 167 C CYS A 14 -19.132 32.147 -18.156 1.00 0.00 C ATOM 168 O CYS A 14 -18.157 32.660 -18.695 1.00 0.00 O ATOM 169 CB CYS A 14 -19.046 31.547 -15.715 1.00 0.00 C ATOM 170 SG CYS A 14 -17.246 31.442 -15.600 1.00 0.00 S ATOM 0 H CYS A 14 -21.449 31.935 -16.083 1.00 0.00 H new ATOM 0 HA CYS A 14 -19.134 33.533 -16.528 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -19.444 31.813 -14.736 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -19.439 30.561 -15.962 1.00 0.00 H new ATOM 175 N ARG A 15 -19.899 31.245 -18.758 1.00 0.00 N ATOM 176 CA ARG A 15 -19.606 30.742 -20.096 1.00 0.00 C ATOM 177 C ARG A 15 -19.908 31.793 -21.184 1.00 0.00 C ATOM 178 O ARG A 15 -19.546 31.619 -22.348 1.00 0.00 O ATOM 179 CB ARG A 15 -20.394 29.443 -20.349 1.00 0.00 C ATOM 180 CG ARG A 15 -20.140 28.805 -21.707 1.00 0.00 C ATOM 181 CD ARG A 15 -20.842 27.464 -21.831 1.00 0.00 C ATOM 182 NE ARG A 15 -20.785 26.945 -23.199 1.00 0.00 N ATOM 183 CZ ARG A 15 -20.571 25.667 -23.521 1.00 0.00 C ATOM 184 NH1 ARG A 15 -20.309 24.769 -22.577 1.00 0.00 N ATOM 185 NH2 ARG A 15 -20.595 25.292 -24.795 1.00 0.00 N ATOM 0 H ARG A 15 -20.736 30.844 -18.336 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.539 30.527 -20.152 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -20.142 28.723 -19.571 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -21.459 29.655 -20.255 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.487 29.473 -22.495 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.068 28.671 -21.853 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -20.381 26.748 -21.151 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -21.883 27.569 -21.525 1.00 0.00 H new ATOM 0 HE ARG A 15 -20.919 27.609 -23.962 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.270 25.054 -21.598 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.147 23.795 -22.831 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -20.777 25.980 -25.526 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -20.432 24.316 -25.043 1.00 0.00 H new ATOM 199 N SER A 16 -20.549 32.888 -20.802 1.00 0.00 N ATOM 200 CA SER A 16 -20.866 33.939 -21.754 1.00 0.00 C ATOM 201 C SER A 16 -19.607 34.693 -22.158 1.00 0.00 C ATOM 202 O SER A 16 -18.564 34.571 -21.512 1.00 0.00 O ATOM 203 CB SER A 16 -21.896 34.905 -21.169 1.00 0.00 C ATOM 204 OG SER A 16 -23.123 34.242 -20.900 1.00 0.00 O ATOM 0 H SER A 16 -20.857 33.070 -19.847 1.00 0.00 H new ATOM 0 HA SER A 16 -21.293 33.474 -22.643 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.507 35.344 -20.250 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.067 35.725 -21.866 1.00 0.00 H new ATOM 0 HG SER A 16 -22.944 33.399 -20.434 1.00 0.00 H new ATOM 210 N GLU A 17 -19.695 35.449 -23.232 1.00 0.00 N ATOM 211 CA GLU A 17 -18.576 36.235 -23.690 1.00 0.00 C ATOM 212 C GLU A 17 -18.973 37.712 -23.831 1.00 0.00 C ATOM 213 O GLU A 17 -19.828 38.059 -24.643 1.00 0.00 O ATOM 214 CB GLU A 17 -18.005 35.680 -25.016 1.00 0.00 C ATOM 215 CG GLU A 17 -18.962 35.718 -26.214 1.00 0.00 C ATOM 216 CD GLU A 17 -20.081 34.701 -26.128 1.00 0.00 C ATOM 217 OE1 GLU A 17 -19.902 33.567 -26.626 1.00 0.00 O ATOM 218 OE2 GLU A 17 -21.158 35.031 -25.577 1.00 0.00 O ATOM 0 H GLU A 17 -20.535 35.534 -23.804 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.787 36.166 -22.941 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.109 36.246 -25.271 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.694 34.648 -24.854 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.394 36.716 -26.292 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.394 35.545 -27.128 1.00 0.00 H new ATOM 225 N PRO A 18 -18.389 38.600 -23.007 1.00 0.00 N ATOM 226 CA PRO A 18 -17.419 38.225 -21.973 1.00 0.00 C ATOM 227 C PRO A 18 -18.093 37.579 -20.759 1.00 0.00 C ATOM 228 O PRO A 18 -19.326 37.521 -20.682 1.00 0.00 O ATOM 229 CB PRO A 18 -16.794 39.564 -21.583 1.00 0.00 C ATOM 230 CG PRO A 18 -17.863 40.565 -21.845 1.00 0.00 C ATOM 231 CD PRO A 18 -18.636 40.054 -23.030 1.00 0.00 C ATOM 0 HA PRO A 18 -16.700 37.488 -22.329 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.492 39.571 -20.536 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.902 39.772 -22.173 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.512 40.678 -20.976 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.435 41.546 -22.053 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -19.699 40.281 -22.943 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -18.288 40.505 -23.960 1.00 0.00 H new ATOM 239 N CYS A 19 -17.282 37.102 -19.824 1.00 0.00 N ATOM 240 CA CYS A 19 -17.777 36.438 -18.625 1.00 0.00 C ATOM 241 C CYS A 19 -18.712 37.350 -17.834 1.00 0.00 C ATOM 242 O CYS A 19 -18.410 38.525 -17.603 1.00 0.00 O ATOM 243 CB CYS A 19 -16.606 35.986 -17.748 1.00 0.00 C ATOM 244 SG CYS A 19 -17.092 35.089 -16.256 1.00 0.00 S ATOM 0 H CYS A 19 -16.265 37.164 -19.875 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.346 35.562 -18.935 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.948 35.351 -18.341 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.026 36.862 -17.458 1.00 0.00 H new ATOM 249 N GLN A 20 -19.848 36.799 -17.436 1.00 0.00 N ATOM 250 CA GLN A 20 -20.860 37.533 -16.685 1.00 0.00 C ATOM 251 C GLN A 20 -21.049 36.903 -15.319 1.00 0.00 C ATOM 252 O GLN A 20 -22.047 37.146 -14.633 1.00 0.00 O ATOM 253 CB GLN A 20 -22.177 37.518 -17.447 1.00 0.00 C ATOM 254 CG GLN A 20 -22.056 38.046 -18.857 1.00 0.00 C ATOM 255 CD GLN A 20 -21.645 39.506 -18.896 1.00 0.00 C ATOM 256 OE1 GLN A 20 -21.981 40.283 -17.999 1.00 0.00 O ATOM 257 NE2 GLN A 20 -20.903 39.884 -19.917 1.00 0.00 N ATOM 0 H GLN A 20 -20.097 35.828 -17.624 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.531 38.564 -16.558 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.558 36.497 -17.480 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -22.910 38.115 -16.904 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.324 37.451 -19.403 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.010 37.926 -19.370 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.647 39.210 -20.638 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -20.585 40.851 -19.986 1.00 0.00 H new ATOM 266 N CYS A 21 -20.075 36.101 -14.935 1.00 0.00 N ATOM 267 CA CYS A 21 -20.077 35.395 -13.659 1.00 0.00 C ATOM 268 C CYS A 21 -20.128 36.398 -12.508 1.00 0.00 C ATOM 269 O CYS A 21 -20.653 36.108 -11.424 1.00 0.00 O ATOM 270 CB CYS A 21 -18.804 34.570 -13.559 1.00 0.00 C ATOM 271 SG CYS A 21 -18.883 33.138 -12.488 1.00 0.00 S ATOM 0 H CYS A 21 -19.249 35.916 -15.503 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.951 34.746 -13.599 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -18.531 34.236 -14.560 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -18.001 35.218 -13.209 1.00 0.00 H new ATOM 276 N GLY A 22 -19.575 37.575 -12.754 1.00 0.00 N ATOM 277 CA GLY A 22 -19.580 38.616 -11.772 1.00 0.00 C ATOM 278 C GLY A 22 -18.491 38.441 -10.755 1.00 0.00 C ATOM 279 O GLY A 22 -17.454 37.839 -11.037 1.00 0.00 O ATOM 0 H GLY A 22 -19.119 37.821 -13.632 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.461 39.580 -12.266 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -20.546 38.633 -11.268 1.00 0.00 H new ATOM 283 N SER A 23 -18.718 38.959 -9.579 1.00 0.00 N ATOM 284 CA SER A 23 -17.762 38.852 -8.504 1.00 0.00 C ATOM 285 C SER A 23 -18.270 37.865 -7.468 1.00 0.00 C ATOM 286 O SER A 23 -17.736 37.769 -6.369 1.00 0.00 O ATOM 287 CB SER A 23 -17.537 40.224 -7.874 1.00 0.00 C ATOM 288 OG SER A 23 -17.223 41.187 -8.873 1.00 0.00 O ATOM 0 H SER A 23 -19.569 39.467 -9.336 1.00 0.00 H new ATOM 0 HA SER A 23 -16.811 38.491 -8.895 1.00 0.00 H new ATOM 0 HB2 SER A 23 -18.431 40.532 -7.332 1.00 0.00 H new ATOM 0 HB3 SER A 23 -16.727 40.168 -7.147 1.00 0.00 H new ATOM 0 HG SER A 23 -17.084 42.061 -8.452 1.00 0.00 H new ATOM 294 N LYS A 24 -19.310 37.133 -7.837 1.00 0.00 N ATOM 295 CA LYS A 24 -19.910 36.154 -6.950 1.00 0.00 C ATOM 296 C LYS A 24 -19.481 34.745 -7.329 1.00 0.00 C ATOM 297 O LYS A 24 -19.381 33.873 -6.471 1.00 0.00 O ATOM 298 CB LYS A 24 -21.431 36.265 -6.994 1.00 0.00 C ATOM 299 CG LYS A 24 -21.954 37.644 -6.626 1.00 0.00 C ATOM 300 CD LYS A 24 -23.468 37.712 -6.716 1.00 0.00 C ATOM 301 CE LYS A 24 -24.128 36.836 -5.663 1.00 0.00 C ATOM 302 NZ LYS A 24 -25.607 36.910 -5.725 1.00 0.00 N ATOM 0 H LYS A 24 -19.757 37.201 -8.751 1.00 0.00 H new ATOM 0 HA LYS A 24 -19.566 36.358 -5.936 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -21.776 36.011 -7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -21.860 35.530 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -21.638 37.895 -5.613 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -21.516 38.389 -7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -23.795 38.744 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -23.789 37.395 -7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -23.811 35.802 -5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -23.791 37.143 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -26.016 36.298 -4.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -25.912 37.892 -5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -25.932 36.592 -6.661 1.00 0.00 H new ATOM 316 N CYS A 25 -19.227 34.539 -8.628 1.00 0.00 N ATOM 317 CA CYS A 25 -18.809 33.243 -9.156 1.00 0.00 C ATOM 318 C CYS A 25 -19.880 32.184 -9.025 1.00 0.00 C ATOM 319 O CYS A 25 -20.116 31.634 -7.946 1.00 0.00 O ATOM 320 CB CYS A 25 -17.516 32.757 -8.519 1.00 0.00 C ATOM 321 SG CYS A 25 -16.066 33.042 -9.533 1.00 0.00 S ATOM 0 H CYS A 25 -19.307 35.267 -9.337 1.00 0.00 H new ATOM 0 HA CYS A 25 -18.632 33.406 -10.219 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -17.383 33.258 -7.560 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -17.601 31.690 -8.313 1.00 0.00 H new ATOM 326 N GLN A 26 -20.515 31.892 -10.126 1.00 0.00 N ATOM 327 CA GLN A 26 -21.513 30.857 -10.161 1.00 0.00 C ATOM 328 C GLN A 26 -20.866 29.567 -10.633 1.00 0.00 C ATOM 329 O GLN A 26 -21.489 28.509 -10.650 1.00 0.00 O ATOM 330 CB GLN A 26 -22.643 31.246 -11.103 1.00 0.00 C ATOM 331 CG GLN A 26 -23.247 32.608 -10.822 1.00 0.00 C ATOM 332 CD GLN A 26 -24.307 32.979 -11.833 1.00 0.00 C ATOM 333 OE1 GLN A 26 -24.255 32.551 -12.989 1.00 0.00 O ATOM 334 NE2 GLN A 26 -25.270 33.772 -11.416 1.00 0.00 N ATOM 0 H GLN A 26 -20.358 32.360 -11.019 1.00 0.00 H new ATOM 0 HA GLN A 26 -21.929 30.718 -9.163 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -22.269 31.231 -12.127 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -23.429 30.493 -11.040 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -23.682 32.612 -9.823 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.460 33.362 -10.830 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -25.276 34.104 -10.451 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -26.011 34.055 -12.057 1.00 0.00 H new ATOM 343 N CYS A 27 -19.600 29.673 -11.016 1.00 0.00 N ATOM 344 CA CYS A 27 -18.850 28.546 -11.514 1.00 0.00 C ATOM 345 C CYS A 27 -18.084 27.859 -10.396 1.00 0.00 C ATOM 346 O CYS A 27 -17.866 28.437 -9.318 1.00 0.00 O ATOM 347 CB CYS A 27 -17.866 29.000 -12.606 1.00 0.00 C ATOM 348 SG CYS A 27 -16.496 30.043 -12.030 1.00 0.00 S ATOM 0 H CYS A 27 -19.072 30.545 -10.987 1.00 0.00 H new ATOM 0 HA CYS A 27 -19.560 27.835 -11.937 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -17.450 28.115 -13.088 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -18.421 29.546 -13.368 1.00 0.00 H new ATOM 353 N GLY A 28 -17.708 26.619 -10.639 1.00 0.00 N ATOM 354 CA GLY A 28 -16.878 25.904 -9.704 1.00 0.00 C ATOM 355 C GLY A 28 -15.436 26.319 -9.871 1.00 0.00 C ATOM 356 O GLY A 28 -15.076 26.887 -10.907 1.00 0.00 O ATOM 0 H GLY A 28 -17.965 26.092 -11.473 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.207 26.106 -8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.977 24.830 -9.864 1.00 0.00 H new ATOM 360 N GLU A 29 -14.606 26.048 -8.884 1.00 0.00 N ATOM 361 CA GLU A 29 -13.217 26.451 -8.962 1.00 0.00 C ATOM 362 C GLU A 29 -12.469 25.663 -10.040 1.00 0.00 C ATOM 363 O GLU A 29 -12.940 24.619 -10.510 1.00 0.00 O ATOM 364 CB GLU A 29 -12.522 26.382 -7.585 1.00 0.00 C ATOM 365 CG GLU A 29 -12.579 25.030 -6.879 1.00 0.00 C ATOM 366 CD GLU A 29 -11.655 24.003 -7.489 1.00 0.00 C ATOM 367 OE1 GLU A 29 -10.426 24.244 -7.517 1.00 0.00 O ATOM 368 OE2 GLU A 29 -12.147 22.944 -7.932 1.00 0.00 O ATOM 0 H GLU A 29 -14.865 25.557 -8.028 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.192 27.498 -9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.476 26.660 -7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.973 27.130 -6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.320 25.164 -5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.602 24.654 -6.910 1.00 0.00 H new ATOM 375 N GLY A 30 -11.321 26.166 -10.438 1.00 0.00 N ATOM 376 CA GLY A 30 -10.588 25.545 -11.509 1.00 0.00 C ATOM 377 C GLY A 30 -10.850 26.260 -12.803 1.00 0.00 C ATOM 378 O GLY A 30 -10.347 25.877 -13.859 1.00 0.00 O ATOM 0 H GLY A 30 -10.882 26.995 -10.038 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.521 25.562 -11.286 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.879 24.498 -11.599 1.00 0.00 H new ATOM 382 N CYS A 31 -11.660 27.297 -12.710 1.00 0.00 N ATOM 383 CA CYS A 31 -11.992 28.127 -13.831 1.00 0.00 C ATOM 384 C CYS A 31 -10.819 29.025 -14.139 1.00 0.00 C ATOM 385 O CYS A 31 -10.142 29.514 -13.232 1.00 0.00 O ATOM 386 CB CYS A 31 -13.230 28.960 -13.520 1.00 0.00 C ATOM 387 SG CYS A 31 -13.688 30.108 -14.827 1.00 0.00 S ATOM 0 H CYS A 31 -12.107 27.583 -11.839 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.210 27.503 -14.698 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.068 28.289 -13.330 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.056 29.521 -12.602 1.00 0.00 H new ATOM 392 N THR A 32 -10.574 29.253 -15.393 1.00 0.00 N ATOM 393 CA THR A 32 -9.429 30.015 -15.783 1.00 0.00 C ATOM 394 C THR A 32 -9.793 31.434 -16.200 1.00 0.00 C ATOM 395 O THR A 32 -8.977 32.149 -16.790 1.00 0.00 O ATOM 396 CB THR A 32 -8.654 29.288 -16.884 1.00 0.00 C ATOM 397 OG1 THR A 32 -9.504 29.072 -18.019 1.00 0.00 O ATOM 398 CG2 THR A 32 -8.169 27.945 -16.349 1.00 0.00 C ATOM 0 H THR A 32 -11.153 28.921 -16.165 1.00 0.00 H new ATOM 0 HA THR A 32 -8.783 30.108 -14.910 1.00 0.00 H new ATOM 0 HB THR A 32 -7.802 29.895 -17.189 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.001 28.608 -18.721 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.616 27.421 -17.128 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.518 28.109 -15.490 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.026 27.343 -16.046 1.00 0.00 H new ATOM 406 N CYS A 33 -11.016 31.847 -15.873 1.00 0.00 N ATOM 407 CA CYS A 33 -11.447 33.209 -16.134 1.00 0.00 C ATOM 408 C CYS A 33 -10.674 34.171 -15.266 1.00 0.00 C ATOM 409 O CYS A 33 -10.531 33.952 -14.072 1.00 0.00 O ATOM 410 CB CYS A 33 -12.943 33.388 -15.856 1.00 0.00 C ATOM 411 SG CYS A 33 -14.038 32.814 -17.162 1.00 0.00 S ATOM 0 H CYS A 33 -11.720 31.257 -15.429 1.00 0.00 H new ATOM 0 HA CYS A 33 -11.259 33.415 -17.188 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -13.191 32.858 -14.936 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -13.139 34.445 -15.678 1.00 0.00 H new ATOM 416 N ALA A 34 -10.181 35.228 -15.866 1.00 0.00 N ATOM 417 CA ALA A 34 -9.465 36.257 -15.140 1.00 0.00 C ATOM 418 C ALA A 34 -10.401 37.420 -14.879 1.00 0.00 C ATOM 419 O ALA A 34 -9.986 38.503 -14.473 1.00 0.00 O ATOM 420 CB ALA A 34 -8.246 36.714 -15.928 1.00 0.00 C ATOM 0 H ALA A 34 -10.263 35.402 -16.868 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.116 35.855 -14.189 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.720 37.487 -15.368 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.580 35.867 -16.091 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.564 37.116 -16.890 1.00 0.00 H new ATOM 426 N ALA A 35 -11.679 37.168 -15.101 1.00 0.00 N ATOM 427 CA ALA A 35 -12.708 38.168 -14.932 1.00 0.00 C ATOM 428 C ALA A 35 -13.437 37.922 -13.637 1.00 0.00 C ATOM 429 O ALA A 35 -13.495 38.790 -12.763 1.00 0.00 O ATOM 430 CB ALA A 35 -13.676 38.135 -16.109 1.00 0.00 C ATOM 0 H ALA A 35 -12.029 36.259 -15.405 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.250 39.156 -14.899 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.446 38.894 -15.968 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.133 38.336 -17.032 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -14.142 37.152 -16.169 1.00 0.00 H new ATOM 436 N CYS A 36 -13.984 36.729 -13.508 1.00 0.00 N ATOM 437 CA CYS A 36 -14.663 36.346 -12.302 1.00 0.00 C ATOM 438 C CYS A 36 -13.650 35.872 -11.270 1.00 0.00 C ATOM 439 O CYS A 36 -13.715 36.245 -10.100 1.00 0.00 O ATOM 440 CB CYS A 36 -15.694 35.265 -12.601 1.00 0.00 C ATOM 441 SG CYS A 36 -15.026 33.726 -13.277 1.00 0.00 S ATOM 0 H CYS A 36 -13.967 36.010 -14.232 1.00 0.00 H new ATOM 0 HA CYS A 36 -15.191 37.208 -11.893 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -16.232 35.035 -11.682 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -16.423 35.666 -13.305 1.00 0.00 H new ATOM 446 N LYS A 37 -12.695 35.071 -11.720 1.00 0.00 N ATOM 447 CA LYS A 37 -11.656 34.577 -10.849 1.00 0.00 C ATOM 448 C LYS A 37 -10.370 35.358 -11.058 1.00 0.00 C ATOM 449 O LYS A 37 -9.472 34.920 -11.778 1.00 0.00 O ATOM 450 CB LYS A 37 -11.397 33.088 -11.085 1.00 0.00 C ATOM 451 CG LYS A 37 -10.460 32.462 -10.060 1.00 0.00 C ATOM 452 CD LYS A 37 -9.799 31.196 -10.589 1.00 0.00 C ATOM 453 CE LYS A 37 -8.502 31.497 -11.348 1.00 0.00 C ATOM 454 NZ LYS A 37 -8.737 32.204 -12.635 1.00 0.00 N ATOM 0 H LYS A 37 -12.624 34.753 -12.686 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.995 34.711 -9.822 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.348 32.555 -11.069 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.974 32.955 -12.081 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.691 33.184 -9.783 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.019 32.228 -9.154 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.584 30.525 -9.757 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.492 30.674 -11.249 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.851 32.104 -10.719 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.976 30.563 -11.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.889 32.129 -13.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.546 31.772 -13.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.941 33.207 -12.448 1.00 0.00 H new ATOM 468 N THR A 38 -10.285 36.509 -10.449 1.00 0.00 N ATOM 469 CA THR A 38 -9.117 37.336 -10.583 1.00 0.00 C ATOM 470 C THR A 38 -8.508 37.601 -9.211 1.00 0.00 C ATOM 471 O THR A 38 -9.195 37.506 -8.192 1.00 0.00 O ATOM 472 CB THR A 38 -9.460 38.676 -11.294 1.00 0.00 C ATOM 473 OG1 THR A 38 -8.264 39.413 -11.576 1.00 0.00 O ATOM 474 CG2 THR A 38 -10.398 39.528 -10.446 1.00 0.00 C ATOM 0 H THR A 38 -11.015 36.897 -9.852 1.00 0.00 H new ATOM 0 HA THR A 38 -8.389 36.808 -11.199 1.00 0.00 H new ATOM 0 HB THR A 38 -9.964 38.434 -12.230 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.495 40.253 -12.025 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.619 40.458 -10.970 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.325 38.982 -10.269 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.922 39.754 -9.492 1.00 0.00 H new ATOM 482 N CYS A 39 -7.221 37.891 -9.185 1.00 0.00 N ATOM 483 CA CYS A 39 -6.543 38.202 -7.948 1.00 0.00 C ATOM 484 C CYS A 39 -6.554 39.701 -7.731 1.00 0.00 C ATOM 485 O CYS A 39 -6.295 40.474 -8.657 1.00 0.00 O ATOM 486 CB CYS A 39 -5.104 37.675 -7.961 1.00 0.00 C ATOM 487 SG CYS A 39 -4.178 37.999 -6.438 1.00 0.00 S ATOM 0 H CYS A 39 -6.625 37.917 -10.012 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.068 37.713 -7.128 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.125 36.600 -8.138 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.572 38.126 -8.799 1.00 0.00 H new ATOM 492 N ASN A 40 -6.861 40.111 -6.525 1.00 0.00 N ATOM 493 CA ASN A 40 -6.933 41.524 -6.198 1.00 0.00 C ATOM 494 C ASN A 40 -5.609 42.021 -5.658 1.00 0.00 C ATOM 495 O ASN A 40 -5.465 43.192 -5.306 1.00 0.00 O ATOM 496 CB ASN A 40 -8.060 41.786 -5.200 1.00 0.00 C ATOM 497 CG ASN A 40 -9.436 41.641 -5.828 1.00 0.00 C ATOM 498 OD1 ASN A 40 -10.004 42.609 -6.327 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.976 40.434 -5.821 1.00 0.00 N ATOM 0 H ASN A 40 -7.067 39.486 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.151 42.076 -7.113 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.970 41.092 -4.364 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.954 42.791 -4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.894 40.284 -6.239 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.475 39.653 -5.397 1.00 0.00 H new ATOM 506 N CYS A 41 -4.641 41.132 -5.603 1.00 0.00 N ATOM 507 CA CYS A 41 -3.328 41.470 -5.128 1.00 0.00 C ATOM 508 C CYS A 41 -2.468 41.963 -6.268 1.00 0.00 C ATOM 509 O CYS A 41 -2.437 41.368 -7.344 1.00 0.00 O ATOM 510 CB CYS A 41 -2.681 40.261 -4.476 1.00 0.00 C ATOM 511 SG CYS A 41 -3.688 39.520 -3.183 1.00 0.00 S ATOM 0 H CYS A 41 -4.747 40.158 -5.887 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.420 42.265 -4.388 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.476 39.512 -5.241 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.721 40.556 -4.054 1.00 0.00 H new ATOM 516 N THR A 42 -1.783 43.048 -6.037 1.00 0.00 N ATOM 517 CA THR A 42 -0.922 43.612 -7.033 1.00 0.00 C ATOM 518 C THR A 42 0.524 43.411 -6.651 1.00 0.00 C ATOM 519 O THR A 42 0.840 43.097 -5.502 1.00 0.00 O ATOM 520 CB THR A 42 -1.211 45.120 -7.254 1.00 0.00 C ATOM 521 OG1 THR A 42 -0.175 45.727 -8.035 1.00 0.00 O ATOM 522 CG2 THR A 42 -1.357 45.859 -5.930 1.00 0.00 C ATOM 0 H THR A 42 -1.807 43.563 -5.157 1.00 0.00 H new ATOM 0 HA THR A 42 -1.121 43.094 -7.971 1.00 0.00 H new ATOM 0 HB THR A 42 -2.155 45.193 -7.795 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.377 46.677 -8.164 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.559 46.913 -6.122 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.182 45.429 -5.362 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.435 45.765 -5.357 1.00 0.00 H new ATOM 530 N SER A 43 1.391 43.599 -7.608 1.00 0.00 N ATOM 531 CA SER A 43 2.814 43.451 -7.402 1.00 0.00 C ATOM 532 C SER A 43 3.356 44.588 -6.534 1.00 0.00 C ATOM 533 O SER A 43 4.502 44.558 -6.083 1.00 0.00 O ATOM 534 CB SER A 43 3.517 43.400 -8.748 1.00 0.00 C ATOM 535 OG SER A 43 2.994 42.332 -9.528 1.00 0.00 O ATOM 0 H SER A 43 1.133 43.861 -8.560 1.00 0.00 H new ATOM 0 HA SER A 43 3.006 42.518 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.383 44.345 -9.274 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.589 43.265 -8.603 1.00 0.00 H new ATOM 0 HG SER A 43 2.553 41.683 -8.941 1.00 0.00 H new ATOM 541 N ASP A 44 2.516 45.587 -6.302 1.00 0.00 N ATOM 542 CA ASP A 44 2.875 46.713 -5.458 1.00 0.00 C ATOM 543 C ASP A 44 2.534 46.415 -3.996 1.00 0.00 C ATOM 544 O ASP A 44 3.075 47.036 -3.078 1.00 0.00 O ATOM 545 CB ASP A 44 2.148 47.977 -5.922 1.00 0.00 C ATOM 546 CG ASP A 44 2.604 49.212 -5.179 1.00 0.00 C ATOM 547 OD1 ASP A 44 1.848 49.717 -4.328 1.00 0.00 O ATOM 548 OD2 ASP A 44 3.733 49.682 -5.445 1.00 0.00 O ATOM 0 H ASP A 44 1.574 45.638 -6.691 1.00 0.00 H new ATOM 0 HA ASP A 44 3.950 46.877 -5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.315 48.117 -6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.075 47.848 -5.781 1.00 0.00 H new ATOM 553 N GLY A 45 1.647 45.446 -3.790 1.00 0.00 N ATOM 554 CA GLY A 45 1.234 45.082 -2.453 1.00 0.00 C ATOM 555 C GLY A 45 0.225 43.950 -2.457 1.00 0.00 C ATOM 556 O GLY A 45 -0.759 43.987 -3.206 1.00 0.00 O ATOM 0 H GLY A 45 1.206 44.905 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.108 44.787 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.801 45.951 -1.958 1.00 0.00 H new ATOM 560 N CYS A 46 0.468 42.943 -1.638 1.00 0.00 N ATOM 561 CA CYS A 46 -0.423 41.801 -1.545 1.00 0.00 C ATOM 562 C CYS A 46 -1.655 42.174 -0.729 1.00 0.00 C ATOM 563 O CYS A 46 -1.572 42.990 0.186 1.00 0.00 O ATOM 564 CB CYS A 46 0.300 40.615 -0.904 1.00 0.00 C ATOM 565 SG CYS A 46 -0.483 39.013 -1.200 1.00 0.00 S ATOM 0 H CYS A 46 1.281 42.893 -1.024 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.736 41.512 -2.548 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.322 40.581 -1.282 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.363 40.782 0.171 1.00 0.00 H new ATOM 570 N LYS A 47 -2.790 41.584 -1.056 1.00 0.00 N ATOM 571 CA LYS A 47 -4.029 41.915 -0.369 1.00 0.00 C ATOM 572 C LYS A 47 -4.517 40.780 0.524 1.00 0.00 C ATOM 573 O LYS A 47 -5.146 41.025 1.547 1.00 0.00 O ATOM 574 CB LYS A 47 -5.118 42.288 -1.377 1.00 0.00 C ATOM 575 CG LYS A 47 -4.807 43.528 -2.205 1.00 0.00 C ATOM 576 CD LYS A 47 -4.726 44.778 -1.345 1.00 0.00 C ATOM 577 CE LYS A 47 -4.550 46.021 -2.202 1.00 0.00 C ATOM 578 NZ LYS A 47 -4.573 47.262 -1.392 1.00 0.00 N ATOM 0 H LYS A 47 -2.882 40.878 -1.787 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.817 42.771 0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.277 41.446 -2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.053 42.448 -0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.862 43.387 -2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.577 43.660 -2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.632 44.871 -0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.892 44.691 -0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.605 45.958 -2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.342 46.061 -2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.450 48.086 -2.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.484 47.336 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.801 47.236 -0.696 1.00 0.00 H new ATOM 592 N CYS A 48 -4.234 39.546 0.150 1.00 0.00 N ATOM 593 CA CYS A 48 -4.718 38.412 0.933 1.00 0.00 C ATOM 594 C CYS A 48 -3.743 38.048 2.045 1.00 0.00 C ATOM 595 O CYS A 48 -4.150 37.614 3.129 1.00 0.00 O ATOM 596 CB CYS A 48 -4.956 37.206 0.039 1.00 0.00 C ATOM 597 SG CYS A 48 -3.454 36.538 -0.684 1.00 0.00 S ATOM 0 H CYS A 48 -3.683 39.300 -0.673 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.662 38.709 1.390 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.448 36.426 0.620 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.640 37.487 -0.761 1.00 0.00 H new ATOM 602 N GLY A 49 -2.460 38.216 1.775 1.00 0.00 N ATOM 603 CA GLY A 49 -1.453 37.896 2.760 1.00 0.00 C ATOM 604 C GLY A 49 -0.654 36.661 2.393 1.00 0.00 C ATOM 605 O GLY A 49 0.255 36.269 3.120 1.00 0.00 O ATOM 0 H GLY A 49 -2.098 38.569 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.776 38.743 2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.931 37.741 3.727 1.00 0.00 H new ATOM 609 N LYS A 50 -0.993 36.040 1.267 1.00 0.00 N ATOM 610 CA LYS A 50 -0.268 34.856 0.804 1.00 0.00 C ATOM 611 C LYS A 50 1.017 35.276 0.104 1.00 0.00 C ATOM 612 O LYS A 50 1.851 34.440 -0.248 1.00 0.00 O ATOM 613 CB LYS A 50 -1.126 34.028 -0.157 1.00 0.00 C ATOM 614 CG LYS A 50 -2.494 33.636 0.386 1.00 0.00 C ATOM 615 CD LYS A 50 -2.397 32.744 1.603 1.00 0.00 C ATOM 616 CE LYS A 50 -3.775 32.265 2.031 1.00 0.00 C ATOM 617 NZ LYS A 50 -3.715 31.396 3.228 1.00 0.00 N ATOM 0 H LYS A 50 -1.759 36.332 0.660 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.030 34.243 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.265 34.594 -1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.581 33.121 -0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.052 34.537 0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.058 33.123 -0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.761 31.887 1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.925 33.288 2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.409 33.127 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.240 31.719 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.676 31.092 3.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.131 30.560 3.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.295 31.924 4.020 1.00 0.00 H new ATOM 631 N GLU A 51 1.141 36.587 -0.111 1.00 0.00 N ATOM 632 CA GLU A 51 2.308 37.198 -0.742 1.00 0.00 C ATOM 633 C GLU A 51 2.409 36.801 -2.221 1.00 0.00 C ATOM 634 O GLU A 51 3.500 36.717 -2.787 1.00 0.00 O ATOM 635 CB GLU A 51 3.593 36.847 0.026 1.00 0.00 C ATOM 636 CG GLU A 51 4.763 37.769 -0.276 1.00 0.00 C ATOM 637 CD GLU A 51 5.984 37.437 0.540 1.00 0.00 C ATOM 638 OE1 GLU A 51 6.926 36.816 -0.009 1.00 0.00 O ATOM 639 OE2 GLU A 51 6.018 37.792 1.737 1.00 0.00 O ATOM 0 H GLU A 51 0.423 37.262 0.153 1.00 0.00 H new ATOM 0 HA GLU A 51 2.185 38.280 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.385 36.878 1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.879 35.823 -0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.009 37.703 -1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.469 38.800 -0.081 1.00 0.00 H new ATOM 646 N CYS A 52 1.262 36.575 -2.845 1.00 0.00 N ATOM 647 CA CYS A 52 1.220 36.243 -4.258 1.00 0.00 C ATOM 648 C CYS A 52 1.536 37.473 -5.095 1.00 0.00 C ATOM 649 O CYS A 52 2.314 37.407 -6.048 1.00 0.00 O ATOM 650 CB CYS A 52 -0.145 35.672 -4.630 1.00 0.00 C ATOM 651 SG CYS A 52 -1.538 36.475 -3.808 1.00 0.00 S ATOM 0 H CYS A 52 0.349 36.616 -2.393 1.00 0.00 H new ATOM 0 HA CYS A 52 1.974 35.483 -4.463 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.278 35.755 -5.709 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.159 34.609 -4.388 1.00 0.00 H new ATOM 656 N THR A 53 0.933 38.600 -4.709 1.00 0.00 N ATOM 657 CA THR A 53 1.155 39.905 -5.349 1.00 0.00 C ATOM 658 C THR A 53 0.999 39.855 -6.873 1.00 0.00 C ATOM 659 O THR A 53 1.762 40.487 -7.614 1.00 0.00 O ATOM 660 CB THR A 53 2.539 40.498 -4.972 1.00 0.00 C ATOM 661 OG1 THR A 53 3.601 39.608 -5.354 1.00 0.00 O ATOM 662 CG2 THR A 53 2.612 40.754 -3.481 1.00 0.00 C ATOM 0 H THR A 53 0.269 38.636 -3.935 1.00 0.00 H new ATOM 0 HA THR A 53 0.375 40.562 -4.963 1.00 0.00 H new ATOM 0 HB THR A 53 2.657 41.439 -5.510 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.253 38.929 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.588 41.170 -3.231 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.832 41.460 -3.194 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.468 39.817 -2.943 1.00 0.00 H new ATOM 670 N GLY A 54 0.002 39.129 -7.332 1.00 0.00 N ATOM 671 CA GLY A 54 -0.232 39.027 -8.746 1.00 0.00 C ATOM 672 C GLY A 54 -0.793 37.680 -9.123 1.00 0.00 C ATOM 673 O GLY A 54 -0.314 36.660 -8.637 1.00 0.00 O ATOM 0 H GLY A 54 -0.651 38.607 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.924 39.809 -9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.702 39.195 -9.282 1.00 0.00 H new ATOM 677 N PRO A 55 -1.810 37.644 -10.000 1.00 0.00 N ATOM 678 CA PRO A 55 -2.466 36.394 -10.421 1.00 0.00 C ATOM 679 C PRO A 55 -1.498 35.366 -11.037 1.00 0.00 C ATOM 680 O PRO A 55 -1.761 34.162 -11.006 1.00 0.00 O ATOM 681 CB PRO A 55 -3.502 36.851 -11.459 1.00 0.00 C ATOM 682 CG PRO A 55 -3.102 38.237 -11.837 1.00 0.00 C ATOM 683 CD PRO A 55 -2.416 38.819 -10.640 1.00 0.00 C ATOM 0 HA PRO A 55 -2.898 35.875 -9.565 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.504 36.192 -12.328 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.509 36.833 -11.043 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.436 38.228 -12.700 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.973 38.831 -12.113 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.665 39.556 -10.924 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.120 39.321 -9.977 1.00 0.00 H new ATOM 691 N ASP A 56 -0.381 35.837 -11.577 1.00 0.00 N ATOM 692 CA ASP A 56 0.605 34.939 -12.179 1.00 0.00 C ATOM 693 C ASP A 56 1.390 34.178 -11.105 1.00 0.00 C ATOM 694 O ASP A 56 1.726 33.007 -11.278 1.00 0.00 O ATOM 695 CB ASP A 56 1.561 35.708 -13.091 1.00 0.00 C ATOM 696 CG ASP A 56 2.646 34.820 -13.672 1.00 0.00 C ATOM 697 OD1 ASP A 56 3.821 34.977 -13.281 1.00 0.00 O ATOM 698 OD2 ASP A 56 2.327 33.951 -14.511 1.00 0.00 O ATOM 0 H ASP A 56 -0.134 36.826 -11.612 1.00 0.00 H new ATOM 0 HA ASP A 56 0.062 34.212 -12.783 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.995 36.165 -13.903 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.022 36.519 -12.528 1.00 0.00 H new ATOM 703 N SER A 57 1.658 34.845 -9.995 1.00 0.00 N ATOM 704 CA SER A 57 2.389 34.239 -8.892 1.00 0.00 C ATOM 705 C SER A 57 1.412 33.817 -7.795 1.00 0.00 C ATOM 706 O SER A 57 1.808 33.450 -6.683 1.00 0.00 O ATOM 707 CB SER A 57 3.424 35.232 -8.339 1.00 0.00 C ATOM 708 OG SER A 57 4.190 34.654 -7.294 1.00 0.00 O ATOM 0 H SER A 57 1.379 35.812 -9.832 1.00 0.00 H new ATOM 0 HA SER A 57 2.916 33.355 -9.251 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.087 35.554 -9.142 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.915 36.122 -7.969 1.00 0.00 H new ATOM 0 HG SER A 57 3.620 34.065 -6.758 1.00 0.00 H new ATOM 714 N CYS A 58 0.143 33.862 -8.132 1.00 0.00 N ATOM 715 CA CYS A 58 -0.918 33.532 -7.232 1.00 0.00 C ATOM 716 C CYS A 58 -1.066 32.024 -7.147 1.00 0.00 C ATOM 717 O CYS A 58 -1.479 31.377 -8.107 1.00 0.00 O ATOM 718 CB CYS A 58 -2.197 34.176 -7.739 1.00 0.00 C ATOM 719 SG CYS A 58 -3.539 34.205 -6.569 1.00 0.00 S ATOM 0 H CYS A 58 -0.178 34.136 -9.061 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.700 33.906 -6.232 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.976 35.200 -8.041 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.525 33.644 -8.632 1.00 0.00 H new ATOM 724 N LYS A 59 -0.710 31.466 -6.007 1.00 0.00 N ATOM 725 CA LYS A 59 -0.748 30.026 -5.832 1.00 0.00 C ATOM 726 C LYS A 59 -1.883 29.600 -4.911 1.00 0.00 C ATOM 727 O LYS A 59 -2.146 28.410 -4.759 1.00 0.00 O ATOM 728 CB LYS A 59 0.589 29.521 -5.281 1.00 0.00 C ATOM 729 CG LYS A 59 1.796 29.892 -6.130 1.00 0.00 C ATOM 730 CD LYS A 59 1.720 29.282 -7.523 1.00 0.00 C ATOM 731 CE LYS A 59 2.934 29.661 -8.351 1.00 0.00 C ATOM 732 NZ LYS A 59 2.894 29.064 -9.709 1.00 0.00 N ATOM 0 H LYS A 59 -0.392 31.986 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.926 29.582 -6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.729 29.921 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.544 28.436 -5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.862 30.977 -6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.706 29.553 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.653 28.197 -7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.814 29.622 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.990 30.746 -8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.838 29.333 -7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.742 29.349 -10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.867 28.027 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.045 29.396 -10.210 1.00 0.00 H new ATOM 746 N CYS A 60 -2.560 30.557 -4.304 1.00 0.00 N ATOM 747 CA CYS A 60 -3.649 30.220 -3.393 1.00 0.00 C ATOM 748 C CYS A 60 -4.969 30.015 -4.140 1.00 0.00 C ATOM 749 O CYS A 60 -5.149 30.515 -5.258 1.00 0.00 O ATOM 750 CB CYS A 60 -3.782 31.239 -2.250 1.00 0.00 C ATOM 751 SG CYS A 60 -3.578 32.961 -2.735 1.00 0.00 S ATOM 0 H CYS A 60 -2.384 31.555 -4.418 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.395 29.266 -2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.764 31.121 -1.791 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.042 31.003 -1.485 1.00 0.00 H new ATOM 756 N GLY A 61 -5.882 29.283 -3.507 1.00 0.00 N ATOM 757 CA GLY A 61 -7.134 28.894 -4.140 1.00 0.00 C ATOM 758 C GLY A 61 -8.069 30.043 -4.489 1.00 0.00 C ATOM 759 O GLY A 61 -7.818 31.206 -4.146 1.00 0.00 O ATOM 0 H GLY A 61 -5.775 28.947 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.905 28.343 -5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.660 28.208 -3.476 1.00 0.00 H new ATOM 763 N SER A 62 -9.167 29.692 -5.154 1.00 0.00 N ATOM 764 CA SER A 62 -10.169 30.634 -5.603 1.00 0.00 C ATOM 765 C SER A 62 -11.076 31.066 -4.449 1.00 0.00 C ATOM 766 O SER A 62 -11.865 31.998 -4.581 1.00 0.00 O ATOM 767 CB SER A 62 -10.999 29.992 -6.712 1.00 0.00 C ATOM 768 OG SER A 62 -10.154 29.435 -7.710 1.00 0.00 O ATOM 0 H SER A 62 -9.382 28.725 -5.397 1.00 0.00 H new ATOM 0 HA SER A 62 -9.669 31.524 -5.984 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.637 29.214 -6.292 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.657 30.737 -7.159 1.00 0.00 H new ATOM 0 HG SER A 62 -10.702 29.026 -8.412 1.00 0.00 H new ATOM 774 N SER A 63 -10.961 30.380 -3.325 1.00 0.00 N ATOM 775 CA SER A 63 -11.753 30.705 -2.149 1.00 0.00 C ATOM 776 C SER A 63 -10.983 31.645 -1.223 1.00 0.00 C ATOM 777 O SER A 63 -11.398 31.901 -0.094 1.00 0.00 O ATOM 778 CB SER A 63 -12.124 29.429 -1.400 1.00 0.00 C ATOM 779 OG SER A 63 -12.734 28.483 -2.269 1.00 0.00 O ATOM 0 H SER A 63 -10.325 29.592 -3.201 1.00 0.00 H new ATOM 0 HA SER A 63 -12.663 31.208 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.230 28.993 -0.953 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.805 29.668 -0.583 1.00 0.00 H new ATOM 0 HG SER A 63 -12.960 27.674 -1.765 1.00 0.00 H new ATOM 785 N CYS A 64 -9.863 32.157 -1.708 1.00 0.00 N ATOM 786 CA CYS A 64 -9.035 33.041 -0.915 1.00 0.00 C ATOM 787 C CYS A 64 -9.576 34.474 -0.936 1.00 0.00 C ATOM 788 O CYS A 64 -10.464 34.808 -1.732 1.00 0.00 O ATOM 789 CB CYS A 64 -7.589 33.002 -1.404 1.00 0.00 C ATOM 790 SG CYS A 64 -6.438 33.914 -0.358 1.00 0.00 S ATOM 0 H CYS A 64 -9.510 31.974 -2.647 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.061 32.691 0.117 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.264 31.963 -1.465 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.547 33.409 -2.414 1.00 0.00 H new ATOM 795 N SER A 65 -9.021 35.314 -0.077 1.00 0.00 N ATOM 796 CA SER A 65 -9.461 36.690 0.067 1.00 0.00 C ATOM 797 C SER A 65 -9.096 37.539 -1.155 1.00 0.00 C ATOM 798 O SER A 65 -9.757 38.536 -1.439 1.00 0.00 O ATOM 799 CB SER A 65 -8.867 37.300 1.343 1.00 0.00 C ATOM 800 OG SER A 65 -9.398 38.589 1.595 1.00 0.00 O ATOM 0 H SER A 65 -8.251 35.059 0.541 1.00 0.00 H new ATOM 0 HA SER A 65 -10.548 36.685 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.074 36.647 2.191 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.783 37.364 1.247 1.00 0.00 H new ATOM 0 HG SER A 65 -9.002 38.951 2.415 1.00 0.00 H new ATOM 806 N CYS A 66 -8.064 37.139 -1.894 1.00 0.00 N ATOM 807 CA CYS A 66 -7.650 37.906 -3.061 1.00 0.00 C ATOM 808 C CYS A 66 -8.499 37.557 -4.262 1.00 0.00 C ATOM 809 O CYS A 66 -8.365 38.155 -5.319 1.00 0.00 O ATOM 810 CB CYS A 66 -6.180 37.659 -3.381 1.00 0.00 C ATOM 811 SG CYS A 66 -5.740 35.927 -3.623 1.00 0.00 S ATOM 0 H CYS A 66 -7.509 36.303 -1.709 1.00 0.00 H new ATOM 0 HA CYS A 66 -7.786 38.962 -2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.920 38.215 -4.282 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.573 38.064 -2.571 1.00 0.00 H new ATOM 816 N LYS A 67 -9.381 36.600 -4.087 1.00 0.00 N ATOM 817 CA LYS A 67 -10.219 36.134 -5.170 1.00 0.00 C ATOM 818 C LYS A 67 -11.629 36.696 -5.032 1.00 0.00 C ATOM 819 O LYS A 67 -11.765 37.948 -5.085 1.00 0.00 O ATOM 820 CB LYS A 67 -10.244 34.606 -5.163 1.00 0.00 C ATOM 821 CG LYS A 67 -8.858 33.978 -5.090 1.00 0.00 C ATOM 822 CD LYS A 67 -7.987 34.394 -6.258 1.00 0.00 C ATOM 823 CE LYS A 67 -6.741 33.531 -6.358 1.00 0.00 C ATOM 824 NZ LYS A 67 -6.018 33.408 -5.063 1.00 0.00 N ATOM 0 H LYS A 67 -9.538 36.125 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.812 36.482 -6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.835 34.264 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.747 34.254 -6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.376 34.269 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.952 32.892 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.558 34.319 -7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.699 35.439 -6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.020 32.537 -6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.070 33.955 -7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.002 33.282 -5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.166 34.270 -4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.381 32.586 -4.539 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 ZN ZN A 101 -15.971 29.849 -14.416 1.00 0.00 ZN HETATM 840 ZN ZN A 102 -15.844 33.274 -15.539 1.00 0.00 ZN HETATM 841 ZN ZN A 103 -16.622 32.501 -11.782 1.00 0.00 ZN HETATM 842 ZN ZN A 104 -3.733 36.174 -5.107 1.00 0.00 ZN HETATM 843 ZN ZN A 105 -4.813 34.854 -1.875 1.00 0.00 ZN HETATM 844 ZN ZN A 106 -2.309 37.895 -2.187 1.00 0.00 ZN