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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0399) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc=-0.00466 (180deg=-0.092) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0062 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 60:sc= 1.3 USER MOD Single : A 20 GLN : amide:sc= 0.341 K(o=0.34,f=-0.75) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0222 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0227 K(o=-0.023,f=-1.2) USER MOD Single : A 32 THR OG1 : rot 15:sc= 1.03 USER MOD Single : A 37 LYS NZ :NH3+ 129:sc= 1.29 (180deg=0.652) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.24 K(o=1.2,f=-5.1e-05) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0986 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+ -149:sc= 0.772 (180deg=0.0798) USER MOD Single : A 53 THR OG1 : rot 18:sc= 0.766 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 59:sc= 0.302 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+ 155:sc= 1.39 (180deg=-1.04!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.349 5.635 -26.106 1.00 0.00 N ATOM 2 CA GLY A 1 -9.717 5.796 -26.671 1.00 0.00 C ATOM 3 C GLY A 1 -10.639 6.559 -25.739 1.00 0.00 C ATOM 4 O GLY A 1 -10.843 7.766 -25.903 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.756 5.108 -26.778 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.931 6.572 -25.936 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.403 5.112 -25.209 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.654 6.319 -27.625 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.142 4.813 -26.874 1.00 0.00 H new ATOM 7 N SER A 2 -11.194 5.863 -24.762 1.00 0.00 N ATOM 8 CA SER A 2 -12.097 6.473 -23.808 1.00 0.00 C ATOM 9 C SER A 2 -11.773 6.014 -22.390 1.00 0.00 C ATOM 10 O SER A 2 -11.881 4.828 -22.071 1.00 0.00 O ATOM 11 CB SER A 2 -13.547 6.124 -24.154 1.00 0.00 C ATOM 12 OG SER A 2 -13.859 6.498 -25.488 1.00 0.00 O ATOM 0 H SER A 2 -11.032 4.867 -24.610 1.00 0.00 H new ATOM 0 HA SER A 2 -11.970 7.554 -23.859 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.707 5.053 -24.026 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.221 6.631 -23.464 1.00 0.00 H new ATOM 0 HG SER A 2 -14.790 6.263 -25.684 1.00 0.00 H new ATOM 18 N GLY A 3 -11.350 6.946 -21.560 1.00 0.00 N ATOM 19 CA GLY A 3 -11.060 6.634 -20.181 1.00 0.00 C ATOM 20 C GLY A 3 -12.144 7.154 -19.271 1.00 0.00 C ATOM 21 O GLY A 3 -12.993 6.395 -18.804 1.00 0.00 O ATOM 0 H GLY A 3 -11.201 7.921 -21.818 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -10.965 5.555 -20.061 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -10.102 7.071 -19.899 1.00 0.00 H new ATOM 25 N LYS A 4 -12.127 8.449 -19.030 1.00 0.00 N ATOM 26 CA LYS A 4 -13.136 9.096 -18.211 1.00 0.00 C ATOM 27 C LYS A 4 -13.124 10.592 -18.465 1.00 0.00 C ATOM 28 O LYS A 4 -12.107 11.147 -18.881 1.00 0.00 O ATOM 29 CB LYS A 4 -12.919 8.799 -16.715 1.00 0.00 C ATOM 30 CG LYS A 4 -11.586 9.277 -16.154 1.00 0.00 C ATOM 31 CD LYS A 4 -11.491 8.995 -14.661 1.00 0.00 C ATOM 32 CE LYS A 4 -10.193 9.523 -14.066 1.00 0.00 C ATOM 33 NZ LYS A 4 -8.996 8.835 -14.616 1.00 0.00 N ATOM 0 H LYS A 4 -11.416 9.083 -19.395 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.111 8.695 -18.488 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.724 9.265 -16.146 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.998 7.723 -16.558 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.768 8.779 -16.675 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.474 10.346 -16.334 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.338 9.454 -14.150 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.559 7.921 -14.489 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.116 10.593 -14.261 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.215 9.398 -12.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.149 9.144 -14.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.109 7.806 -14.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.891 9.073 -15.623 1.00 0.00 H new ATOM 47 N GLY A 5 -14.249 11.234 -18.233 1.00 0.00 N ATOM 48 CA GLY A 5 -14.340 12.655 -18.452 1.00 0.00 C ATOM 49 C GLY A 5 -15.256 13.317 -17.457 1.00 0.00 C ATOM 50 O GLY A 5 -15.992 12.639 -16.737 1.00 0.00 O ATOM 0 H GLY A 5 -15.106 10.795 -17.895 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.346 13.098 -18.382 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.703 12.845 -19.462 1.00 0.00 H new ATOM 54 N LYS A 6 -15.215 14.631 -17.409 1.00 0.00 N ATOM 55 CA LYS A 6 -16.044 15.397 -16.495 1.00 0.00 C ATOM 56 C LYS A 6 -16.841 16.435 -17.268 1.00 0.00 C ATOM 57 O LYS A 6 -16.714 16.540 -18.494 1.00 0.00 O ATOM 58 CB LYS A 6 -15.174 16.091 -15.433 1.00 0.00 C ATOM 59 CG LYS A 6 -14.308 15.142 -14.616 1.00 0.00 C ATOM 60 CD LYS A 6 -15.150 14.161 -13.816 1.00 0.00 C ATOM 61 CE LYS A 6 -14.283 13.167 -13.060 1.00 0.00 C ATOM 62 NZ LYS A 6 -13.419 13.828 -12.044 1.00 0.00 N ATOM 0 H LYS A 6 -14.609 15.200 -18.000 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.731 14.716 -15.993 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.530 16.818 -15.927 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -15.822 16.647 -14.756 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.643 14.592 -15.282 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.677 15.717 -13.938 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.776 14.708 -13.111 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.820 13.624 -14.487 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.921 12.432 -12.568 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.657 12.623 -13.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.962 13.104 -11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.690 14.394 -12.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.000 14.448 -11.444 1.00 0.00 H new ATOM 76 N GLY A 7 -17.658 17.191 -16.566 1.00 0.00 N ATOM 77 CA GLY A 7 -18.435 18.221 -17.206 1.00 0.00 C ATOM 78 C GLY A 7 -17.867 19.589 -16.931 1.00 0.00 C ATOM 79 O GLY A 7 -16.804 19.714 -16.310 1.00 0.00 O ATOM 0 H GLY A 7 -17.798 17.110 -15.559 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.460 18.045 -18.281 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.465 18.175 -16.852 1.00 0.00 H new ATOM 83 N GLU A 8 -18.543 20.615 -17.397 1.00 0.00 N ATOM 84 CA GLU A 8 -18.091 21.969 -17.167 1.00 0.00 C ATOM 85 C GLU A 8 -18.548 22.457 -15.804 1.00 0.00 C ATOM 86 O GLU A 8 -19.743 22.559 -15.534 1.00 0.00 O ATOM 87 CB GLU A 8 -18.568 22.898 -18.278 1.00 0.00 C ATOM 88 CG GLU A 8 -18.007 22.531 -19.640 1.00 0.00 C ATOM 89 CD GLU A 8 -18.411 23.499 -20.721 1.00 0.00 C ATOM 90 OE1 GLU A 8 -17.614 24.399 -21.045 1.00 0.00 O ATOM 91 OE2 GLU A 8 -19.517 23.354 -21.266 1.00 0.00 O ATOM 0 H GLU A 8 -19.405 20.538 -17.936 1.00 0.00 H new ATOM 0 HA GLU A 8 -17.001 21.976 -17.179 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -19.657 22.874 -18.321 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -18.281 23.921 -18.037 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.919 22.493 -19.581 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.346 21.531 -19.910 1.00 0.00 H new ATOM 98 N LYS A 9 -17.583 22.755 -14.949 1.00 0.00 N ATOM 99 CA LYS A 9 -17.856 23.185 -13.581 1.00 0.00 C ATOM 100 C LYS A 9 -18.377 24.611 -13.546 1.00 0.00 C ATOM 101 O LYS A 9 -18.898 25.071 -12.528 1.00 0.00 O ATOM 102 CB LYS A 9 -16.580 23.103 -12.739 1.00 0.00 C ATOM 103 CG LYS A 9 -15.924 21.736 -12.721 1.00 0.00 C ATOM 104 CD LYS A 9 -16.830 20.690 -12.103 1.00 0.00 C ATOM 105 CE LYS A 9 -16.119 19.359 -11.991 1.00 0.00 C ATOM 106 NZ LYS A 9 -16.986 18.313 -11.401 1.00 0.00 N ATOM 0 H LYS A 9 -16.591 22.707 -15.180 1.00 0.00 H new ATOM 0 HA LYS A 9 -18.617 22.521 -13.172 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.863 23.831 -13.118 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -16.817 23.392 -11.715 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.668 21.441 -13.739 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.991 21.787 -12.160 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.152 21.019 -11.115 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.729 20.577 -12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.789 19.040 -12.980 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.225 19.476 -11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.460 17.418 -11.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.281 18.604 -10.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.827 18.182 -11.998 1.00 0.00 H new ATOM 120 N CYS A 10 -18.239 25.302 -14.646 1.00 0.00 N ATOM 121 CA CYS A 10 -18.624 26.682 -14.704 1.00 0.00 C ATOM 122 C CYS A 10 -20.074 26.856 -15.089 1.00 0.00 C ATOM 123 O CYS A 10 -20.620 26.096 -15.901 1.00 0.00 O ATOM 124 CB CYS A 10 -17.714 27.437 -15.643 1.00 0.00 C ATOM 125 SG CYS A 10 -15.975 27.245 -15.230 1.00 0.00 S ATOM 0 H CYS A 10 -17.861 24.928 -15.516 1.00 0.00 H new ATOM 0 HA CYS A 10 -18.518 27.098 -13.702 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -17.881 27.089 -16.662 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -17.974 28.495 -15.621 1.00 0.00 H new ATOM 130 N THR A 11 -20.685 27.871 -14.510 1.00 0.00 N ATOM 131 CA THR A 11 -22.074 28.161 -14.730 1.00 0.00 C ATOM 132 C THR A 11 -22.277 28.836 -16.076 1.00 0.00 C ATOM 133 O THR A 11 -21.308 29.132 -16.788 1.00 0.00 O ATOM 134 CB THR A 11 -22.609 29.077 -13.612 1.00 0.00 C ATOM 135 OG1 THR A 11 -21.764 30.236 -13.492 1.00 0.00 O ATOM 136 CG2 THR A 11 -22.643 28.338 -12.281 1.00 0.00 C ATOM 0 H THR A 11 -20.222 28.517 -13.871 1.00 0.00 H new ATOM 0 HA THR A 11 -22.622 27.219 -14.722 1.00 0.00 H new ATOM 0 HB THR A 11 -23.623 29.382 -13.870 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.106 30.818 -12.782 1.00 0.00 H new ATOM 0 HG21 THR A 11 -23.024 29.003 -11.505 1.00 0.00 H new ATOM 0 HG22 THR A 11 -23.294 27.468 -12.365 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.636 28.014 -12.019 1.00 0.00 H new ATOM 144 N SER A 12 -23.527 29.078 -16.424 1.00 0.00 N ATOM 145 CA SER A 12 -23.855 29.745 -17.666 1.00 0.00 C ATOM 146 C SER A 12 -23.274 31.161 -17.673 1.00 0.00 C ATOM 147 O SER A 12 -22.862 31.668 -18.711 1.00 0.00 O ATOM 148 CB SER A 12 -25.372 29.785 -17.842 1.00 0.00 C ATOM 149 OG SER A 12 -25.931 28.487 -17.665 1.00 0.00 O ATOM 0 H SER A 12 -24.336 28.820 -15.858 1.00 0.00 H new ATOM 0 HA SER A 12 -23.419 29.192 -18.498 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.809 30.477 -17.122 1.00 0.00 H new ATOM 0 HB3 SER A 12 -25.619 30.161 -18.835 1.00 0.00 H new ATOM 0 HG SER A 12 -26.903 28.531 -17.779 1.00 0.00 H new ATOM 155 N ALA A 13 -23.218 31.771 -16.490 1.00 0.00 N ATOM 156 CA ALA A 13 -22.690 33.114 -16.323 1.00 0.00 C ATOM 157 C ALA A 13 -21.223 33.185 -16.726 1.00 0.00 C ATOM 158 O ALA A 13 -20.831 34.020 -17.537 1.00 0.00 O ATOM 159 CB ALA A 13 -22.860 33.558 -14.879 1.00 0.00 C ATOM 0 H ALA A 13 -23.539 31.343 -15.622 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.249 33.785 -16.976 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.462 34.566 -14.759 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.918 33.552 -14.619 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.321 32.875 -14.222 1.00 0.00 H new ATOM 165 N CYS A 14 -20.423 32.297 -16.166 1.00 0.00 N ATOM 166 CA CYS A 14 -18.992 32.257 -16.449 1.00 0.00 C ATOM 167 C CYS A 14 -18.737 31.845 -17.895 1.00 0.00 C ATOM 168 O CYS A 14 -17.749 32.239 -18.512 1.00 0.00 O ATOM 169 CB CYS A 14 -18.313 31.275 -15.503 1.00 0.00 C ATOM 170 SG CYS A 14 -16.517 31.184 -15.671 1.00 0.00 S ATOM 0 H CYS A 14 -20.739 31.586 -15.506 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.579 33.254 -16.299 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -18.555 31.554 -14.477 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.731 30.282 -15.671 1.00 0.00 H new ATOM 175 N ARG A 15 -19.652 31.070 -18.431 1.00 0.00 N ATOM 176 CA ARG A 15 -19.536 30.553 -19.786 1.00 0.00 C ATOM 177 C ARG A 15 -19.941 31.612 -20.827 1.00 0.00 C ATOM 178 O ARG A 15 -19.800 31.395 -22.030 1.00 0.00 O ATOM 179 CB ARG A 15 -20.416 29.311 -19.921 1.00 0.00 C ATOM 180 CG ARG A 15 -19.976 28.335 -20.994 1.00 0.00 C ATOM 181 CD ARG A 15 -20.881 27.109 -21.019 1.00 0.00 C ATOM 182 NE ARG A 15 -21.009 26.483 -19.691 1.00 0.00 N ATOM 183 CZ ARG A 15 -21.620 25.314 -19.465 1.00 0.00 C ATOM 184 NH1 ARG A 15 -22.128 24.624 -20.477 1.00 0.00 N ATOM 185 NH2 ARG A 15 -21.716 24.833 -18.225 1.00 0.00 N ATOM 0 H ARG A 15 -20.499 30.777 -17.945 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.495 30.292 -19.975 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -20.437 28.791 -18.963 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -21.437 29.628 -20.134 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.995 28.826 -21.967 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -18.946 28.028 -20.812 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -21.869 27.396 -21.380 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -20.483 26.380 -21.725 1.00 0.00 H new ATOM 0 HE ARG A 15 -20.606 26.973 -18.892 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -22.053 24.984 -21.428 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -22.594 23.733 -20.304 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.323 25.357 -17.443 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -22.183 23.941 -18.059 1.00 0.00 H new ATOM 199 N SER A 16 -20.421 32.757 -20.357 1.00 0.00 N ATOM 200 CA SER A 16 -20.881 33.818 -21.246 1.00 0.00 C ATOM 201 C SER A 16 -19.734 34.721 -21.698 1.00 0.00 C ATOM 202 O SER A 16 -18.630 34.670 -21.151 1.00 0.00 O ATOM 203 CB SER A 16 -21.951 34.661 -20.551 1.00 0.00 C ATOM 204 OG SER A 16 -23.043 33.860 -20.135 1.00 0.00 O ATOM 0 H SER A 16 -20.502 32.975 -19.364 1.00 0.00 H new ATOM 0 HA SER A 16 -21.303 33.340 -22.130 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.517 35.165 -19.688 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.304 35.438 -21.230 1.00 0.00 H new ATOM 0 HG SER A 16 -22.726 33.172 -19.513 1.00 0.00 H new ATOM 210 N GLU A 17 -20.013 35.545 -22.702 1.00 0.00 N ATOM 211 CA GLU A 17 -19.053 36.509 -23.219 1.00 0.00 C ATOM 212 C GLU A 17 -19.686 37.903 -23.247 1.00 0.00 C ATOM 213 O GLU A 17 -20.576 38.164 -24.061 1.00 0.00 O ATOM 214 CB GLU A 17 -18.606 36.128 -24.635 1.00 0.00 C ATOM 215 CG GLU A 17 -17.804 34.842 -24.719 1.00 0.00 C ATOM 216 CD GLU A 17 -16.500 34.916 -23.956 1.00 0.00 C ATOM 217 OE1 GLU A 17 -15.732 35.871 -24.178 1.00 0.00 O ATOM 218 OE2 GLU A 17 -16.234 34.018 -23.138 1.00 0.00 O ATOM 0 H GLU A 17 -20.914 35.562 -23.180 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.181 36.510 -22.565 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.489 36.032 -25.267 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.007 36.942 -25.044 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.403 34.019 -24.328 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -17.596 34.616 -25.765 1.00 0.00 H new ATOM 225 N PRO A 18 -19.256 38.816 -22.358 1.00 0.00 N ATOM 226 CA PRO A 18 -18.211 38.547 -21.363 1.00 0.00 C ATOM 227 C PRO A 18 -18.727 37.709 -20.200 1.00 0.00 C ATOM 228 O PRO A 18 -19.936 37.481 -20.070 1.00 0.00 O ATOM 229 CB PRO A 18 -17.833 39.945 -20.876 1.00 0.00 C ATOM 230 CG PRO A 18 -19.080 40.738 -21.030 1.00 0.00 C ATOM 231 CD PRO A 18 -19.768 40.198 -22.256 1.00 0.00 C ATOM 0 HA PRO A 18 -17.380 37.980 -21.781 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -17.498 39.928 -19.839 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.019 40.365 -21.467 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -19.716 40.639 -20.150 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.856 41.799 -21.144 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -20.853 40.217 -22.149 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -19.525 40.783 -23.143 1.00 0.00 H new ATOM 239 N CYS A 19 -17.807 37.246 -19.374 1.00 0.00 N ATOM 240 CA CYS A 19 -18.139 36.438 -18.219 1.00 0.00 C ATOM 241 C CYS A 19 -19.036 37.207 -17.253 1.00 0.00 C ATOM 242 O CYS A 19 -18.844 38.404 -17.027 1.00 0.00 O ATOM 243 CB CYS A 19 -16.867 35.990 -17.517 1.00 0.00 C ATOM 244 SG CYS A 19 -17.151 35.026 -16.030 1.00 0.00 S ATOM 0 H CYS A 19 -16.808 37.421 -19.487 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.687 35.559 -18.559 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.270 35.399 -18.212 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.278 36.870 -17.259 1.00 0.00 H new ATOM 249 N GLN A 20 -20.008 36.512 -16.687 1.00 0.00 N ATOM 250 CA GLN A 20 -20.979 37.122 -15.793 1.00 0.00 C ATOM 251 C GLN A 20 -20.890 36.530 -14.393 1.00 0.00 C ATOM 252 O GLN A 20 -21.833 36.638 -13.603 1.00 0.00 O ATOM 253 CB GLN A 20 -22.378 36.903 -16.347 1.00 0.00 C ATOM 254 CG GLN A 20 -22.538 37.363 -17.776 1.00 0.00 C ATOM 255 CD GLN A 20 -22.460 38.866 -17.919 1.00 0.00 C ATOM 256 OE1 GLN A 20 -22.859 39.613 -17.018 1.00 0.00 O ATOM 257 NE2 GLN A 20 -21.930 39.323 -19.037 1.00 0.00 N ATOM 0 H GLN A 20 -20.147 35.512 -16.833 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.762 38.188 -15.726 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.623 35.843 -16.285 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -23.096 37.433 -15.720 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.763 36.903 -18.390 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.497 37.015 -18.160 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -21.613 38.671 -19.755 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.837 40.328 -19.184 1.00 0.00 H new ATOM 266 N CYS A 21 -19.763 35.909 -14.082 1.00 0.00 N ATOM 267 CA CYS A 21 -19.576 35.309 -12.765 1.00 0.00 C ATOM 268 C CYS A 21 -19.508 36.404 -11.698 1.00 0.00 C ATOM 269 O CYS A 21 -19.928 36.203 -10.551 1.00 0.00 O ATOM 270 CB CYS A 21 -18.299 34.472 -12.729 1.00 0.00 C ATOM 271 SG CYS A 21 -18.526 32.751 -12.214 1.00 0.00 S ATOM 0 H CYS A 21 -18.970 35.806 -14.715 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.425 34.656 -12.560 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.848 34.482 -13.721 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.590 34.948 -12.052 1.00 0.00 H new ATOM 276 N GLY A 22 -18.989 37.563 -12.093 1.00 0.00 N ATOM 277 CA GLY A 22 -18.889 38.687 -11.195 1.00 0.00 C ATOM 278 C GLY A 22 -17.817 38.502 -10.151 1.00 0.00 C ATOM 279 O GLY A 22 -16.996 37.588 -10.248 1.00 0.00 O ATOM 0 H GLY A 22 -18.633 37.739 -13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -18.679 39.589 -11.770 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -19.849 38.840 -10.702 1.00 0.00 H new ATOM 283 N SER A 23 -17.821 39.360 -9.152 1.00 0.00 N ATOM 284 CA SER A 23 -16.861 39.278 -8.077 1.00 0.00 C ATOM 285 C SER A 23 -17.276 38.215 -7.064 1.00 0.00 C ATOM 286 O SER A 23 -16.493 37.831 -6.197 1.00 0.00 O ATOM 287 CB SER A 23 -16.698 40.642 -7.405 1.00 0.00 C ATOM 288 OG SER A 23 -17.961 41.230 -7.128 1.00 0.00 O ATOM 0 H SER A 23 -18.486 40.128 -9.065 1.00 0.00 H new ATOM 0 HA SER A 23 -15.897 38.985 -8.493 1.00 0.00 H new ATOM 0 HB2 SER A 23 -16.135 40.529 -6.479 1.00 0.00 H new ATOM 0 HB3 SER A 23 -16.120 41.302 -8.051 1.00 0.00 H new ATOM 0 HG SER A 23 -17.829 42.100 -6.697 1.00 0.00 H new ATOM 294 N LYS A 24 -18.518 37.737 -7.183 1.00 0.00 N ATOM 295 CA LYS A 24 -19.009 36.697 -6.297 1.00 0.00 C ATOM 296 C LYS A 24 -18.441 35.373 -6.743 1.00 0.00 C ATOM 297 O LYS A 24 -18.001 34.559 -5.925 1.00 0.00 O ATOM 298 CB LYS A 24 -20.538 36.633 -6.308 1.00 0.00 C ATOM 299 CG LYS A 24 -21.225 37.886 -5.785 1.00 0.00 C ATOM 300 CD LYS A 24 -22.739 37.707 -5.716 1.00 0.00 C ATOM 301 CE LYS A 24 -23.329 37.355 -7.078 1.00 0.00 C ATOM 302 NZ LYS A 24 -24.799 37.165 -7.010 1.00 0.00 N ATOM 0 H LYS A 24 -19.191 38.055 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.692 36.924 -5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -20.874 36.448 -7.328 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -20.858 35.781 -5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -20.841 38.126 -4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -20.987 38.730 -6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -22.980 36.920 -5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -23.197 38.625 -5.347 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -23.098 38.147 -7.790 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -22.862 36.444 -7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -25.162 36.927 -7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -25.019 36.392 -6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -25.247 38.042 -6.677 1.00 0.00 H new ATOM 316 N CYS A 25 -18.438 35.189 -8.063 1.00 0.00 N ATOM 317 CA CYS A 25 -17.911 34.003 -8.702 1.00 0.00 C ATOM 318 C CYS A 25 -18.737 32.764 -8.343 1.00 0.00 C ATOM 319 O CYS A 25 -18.579 32.172 -7.273 1.00 0.00 O ATOM 320 CB CYS A 25 -16.445 33.813 -8.354 1.00 0.00 C ATOM 321 SG CYS A 25 -15.593 32.693 -9.449 1.00 0.00 S ATOM 0 H CYS A 25 -18.809 35.875 -8.720 1.00 0.00 H new ATOM 0 HA CYS A 25 -17.985 34.139 -9.781 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -15.946 34.782 -8.378 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -16.368 33.439 -7.333 1.00 0.00 H new ATOM 326 N GLN A 26 -19.618 32.393 -9.246 1.00 0.00 N ATOM 327 CA GLN A 26 -20.543 31.285 -9.027 1.00 0.00 C ATOM 328 C GLN A 26 -20.090 29.994 -9.725 1.00 0.00 C ATOM 329 O GLN A 26 -20.753 28.965 -9.620 1.00 0.00 O ATOM 330 CB GLN A 26 -21.928 31.679 -9.538 1.00 0.00 C ATOM 331 CG GLN A 26 -22.515 32.893 -8.840 1.00 0.00 C ATOM 332 CD GLN A 26 -23.694 33.485 -9.583 1.00 0.00 C ATOM 333 OE1 GLN A 26 -23.760 33.427 -10.814 1.00 0.00 O ATOM 334 NE2 GLN A 26 -24.626 34.057 -8.848 1.00 0.00 N ATOM 0 H GLN A 26 -19.719 32.846 -10.154 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.568 31.084 -7.956 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.867 31.880 -10.607 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.606 30.835 -9.411 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.829 32.612 -7.835 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -21.741 33.653 -8.731 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -24.531 34.082 -7.833 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -25.443 34.474 -9.294 1.00 0.00 H new ATOM 343 N CYS A 27 -18.974 30.046 -10.423 1.00 0.00 N ATOM 344 CA CYS A 27 -18.503 28.893 -11.185 1.00 0.00 C ATOM 345 C CYS A 27 -17.558 28.026 -10.366 1.00 0.00 C ATOM 346 O CYS A 27 -17.051 28.452 -9.325 1.00 0.00 O ATOM 347 CB CYS A 27 -17.757 29.367 -12.424 1.00 0.00 C ATOM 348 SG CYS A 27 -16.056 29.856 -12.095 1.00 0.00 S ATOM 0 H CYS A 27 -18.374 30.868 -10.483 1.00 0.00 H new ATOM 0 HA CYS A 27 -19.378 28.303 -11.458 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -17.760 28.570 -13.167 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -18.292 30.211 -12.860 1.00 0.00 H new ATOM 353 N GLY A 28 -17.337 26.807 -10.836 1.00 0.00 N ATOM 354 CA GLY A 28 -16.344 25.952 -10.237 1.00 0.00 C ATOM 355 C GLY A 28 -14.999 26.247 -10.857 1.00 0.00 C ATOM 356 O GLY A 28 -14.932 26.593 -12.037 1.00 0.00 O ATOM 0 H GLY A 28 -17.833 26.397 -11.627 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.306 26.117 -9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.607 24.905 -10.390 1.00 0.00 H new ATOM 360 N GLU A 29 -13.931 26.100 -10.103 1.00 0.00 N ATOM 361 CA GLU A 29 -12.631 26.490 -10.600 1.00 0.00 C ATOM 362 C GLU A 29 -12.056 25.468 -11.562 1.00 0.00 C ATOM 363 O GLU A 29 -11.376 24.520 -11.166 1.00 0.00 O ATOM 364 CB GLU A 29 -11.652 26.760 -9.474 1.00 0.00 C ATOM 365 CG GLU A 29 -10.483 27.621 -9.907 1.00 0.00 C ATOM 366 CD GLU A 29 -9.379 27.669 -8.890 1.00 0.00 C ATOM 367 OE1 GLU A 29 -8.248 27.281 -9.236 1.00 0.00 O ATOM 368 OE2 GLU A 29 -9.632 28.091 -7.748 1.00 0.00 O ATOM 0 H GLU A 29 -13.936 25.719 -9.157 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.783 27.419 -11.149 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.175 27.251 -8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.276 25.812 -9.090 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.086 27.239 -10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.837 28.634 -10.099 1.00 0.00 H new ATOM 375 N GLY A 30 -12.368 25.653 -12.813 1.00 0.00 N ATOM 376 CA GLY A 30 -11.837 24.816 -13.851 1.00 0.00 C ATOM 377 C GLY A 30 -11.904 25.526 -15.166 1.00 0.00 C ATOM 378 O GLY A 30 -11.953 24.901 -16.226 1.00 0.00 O ATOM 0 H GLY A 30 -12.996 26.386 -13.142 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.804 24.552 -13.624 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.401 23.884 -13.902 1.00 0.00 H new ATOM 382 N CYS A 31 -11.908 26.848 -15.092 1.00 0.00 N ATOM 383 CA CYS A 31 -12.056 27.683 -16.273 1.00 0.00 C ATOM 384 C CYS A 31 -10.819 28.509 -16.545 1.00 0.00 C ATOM 385 O CYS A 31 -10.544 28.858 -17.691 1.00 0.00 O ATOM 386 CB CYS A 31 -13.199 28.641 -16.039 1.00 0.00 C ATOM 387 SG CYS A 31 -12.940 29.685 -14.578 1.00 0.00 S ATOM 0 H CYS A 31 -11.810 27.368 -14.220 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.232 27.027 -17.125 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.324 29.275 -16.917 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -14.124 28.076 -15.919 1.00 0.00 H new ATOM 392 N THR A 32 -10.082 28.837 -15.469 1.00 0.00 N ATOM 393 CA THR A 32 -8.952 29.771 -15.528 1.00 0.00 C ATOM 394 C THR A 32 -9.401 31.100 -16.150 1.00 0.00 C ATOM 395 O THR A 32 -8.606 31.831 -16.750 1.00 0.00 O ATOM 396 CB THR A 32 -7.701 29.190 -16.272 1.00 0.00 C ATOM 397 OG1 THR A 32 -8.025 28.765 -17.601 1.00 0.00 O ATOM 398 CG2 THR A 32 -7.126 28.017 -15.500 1.00 0.00 C ATOM 0 H THR A 32 -10.256 28.461 -14.537 1.00 0.00 H new ATOM 0 HA THR A 32 -8.629 29.944 -14.501 1.00 0.00 H new ATOM 0 HB THR A 32 -6.963 29.989 -16.336 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.896 29.133 -17.859 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.258 27.624 -16.029 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.826 28.348 -14.506 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.881 27.236 -15.410 1.00 0.00 H new ATOM 406 N CYS A 33 -10.697 31.406 -15.951 1.00 0.00 N ATOM 407 CA CYS A 33 -11.337 32.594 -16.495 1.00 0.00 C ATOM 408 C CYS A 33 -10.611 33.847 -16.024 1.00 0.00 C ATOM 409 O CYS A 33 -10.193 33.938 -14.871 1.00 0.00 O ATOM 410 CB CYS A 33 -12.816 32.628 -16.062 1.00 0.00 C ATOM 411 SG CYS A 33 -13.932 33.486 -17.202 1.00 0.00 S ATOM 0 H CYS A 33 -11.326 30.822 -15.400 1.00 0.00 H new ATOM 0 HA CYS A 33 -11.289 32.562 -17.583 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -13.166 31.603 -15.939 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.881 33.107 -15.085 1.00 0.00 H new ATOM 416 N ALA A 34 -10.467 34.806 -16.910 1.00 0.00 N ATOM 417 CA ALA A 34 -9.730 36.026 -16.615 1.00 0.00 C ATOM 418 C ALA A 34 -10.656 37.120 -16.129 1.00 0.00 C ATOM 419 O ALA A 34 -10.281 38.297 -16.086 1.00 0.00 O ATOM 420 CB ALA A 34 -8.971 36.486 -17.851 1.00 0.00 C ATOM 0 H ALA A 34 -10.853 34.768 -17.853 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.018 35.811 -15.818 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.422 37.399 -17.622 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.271 35.709 -18.158 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.676 36.679 -18.660 1.00 0.00 H new ATOM 426 N ALA A 35 -11.846 36.733 -15.727 1.00 0.00 N ATOM 427 CA ALA A 35 -12.834 37.688 -15.293 1.00 0.00 C ATOM 428 C ALA A 35 -13.171 37.477 -13.846 1.00 0.00 C ATOM 429 O ALA A 35 -13.031 38.382 -13.030 1.00 0.00 O ATOM 430 CB ALA A 35 -14.081 37.595 -16.154 1.00 0.00 C ATOM 0 H ALA A 35 -12.151 35.760 -15.693 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.417 38.689 -15.404 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.815 38.324 -15.811 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.822 37.802 -17.192 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -14.502 36.592 -16.078 1.00 0.00 H new ATOM 436 N CYS A 36 -13.603 36.285 -13.524 1.00 0.00 N ATOM 437 CA CYS A 36 -13.946 35.969 -12.166 1.00 0.00 C ATOM 438 C CYS A 36 -12.735 35.445 -11.414 1.00 0.00 C ATOM 439 O CYS A 36 -12.483 35.844 -10.272 1.00 0.00 O ATOM 440 CB CYS A 36 -15.072 34.974 -12.134 1.00 0.00 C ATOM 441 SG CYS A 36 -14.825 33.577 -13.221 1.00 0.00 S ATOM 0 H CYS A 36 -13.725 35.518 -14.186 1.00 0.00 H new ATOM 0 HA CYS A 36 -14.278 36.880 -11.669 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -15.197 34.612 -11.113 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -15.999 35.478 -12.409 1.00 0.00 H new ATOM 446 N LYS A 37 -11.958 34.567 -12.056 1.00 0.00 N ATOM 447 CA LYS A 37 -10.762 34.056 -11.415 1.00 0.00 C ATOM 448 C LYS A 37 -9.611 35.023 -11.627 1.00 0.00 C ATOM 449 O LYS A 37 -8.714 34.794 -12.443 1.00 0.00 O ATOM 450 CB LYS A 37 -10.368 32.631 -11.874 1.00 0.00 C ATOM 451 CG LYS A 37 -9.243 32.045 -11.015 1.00 0.00 C ATOM 452 CD LYS A 37 -8.731 30.693 -11.493 1.00 0.00 C ATOM 453 CE LYS A 37 -7.501 30.291 -10.674 1.00 0.00 C ATOM 454 NZ LYS A 37 -7.007 28.922 -10.979 1.00 0.00 N ATOM 0 H LYS A 37 -12.136 34.208 -12.994 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.989 33.973 -10.352 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.240 31.979 -11.824 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.051 32.660 -12.917 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.411 32.749 -10.996 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.599 31.944 -9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.512 29.940 -11.389 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.475 30.743 -12.551 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.701 31.007 -10.860 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.744 30.353 -9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.987 28.957 -11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.180 28.301 -10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.508 28.549 -11.810 1.00 0.00 H new ATOM 468 N THR A 38 -9.665 36.115 -10.914 1.00 0.00 N ATOM 469 CA THR A 38 -8.667 37.136 -11.007 1.00 0.00 C ATOM 470 C THR A 38 -8.102 37.440 -9.624 1.00 0.00 C ATOM 471 O THR A 38 -8.791 37.270 -8.611 1.00 0.00 O ATOM 472 CB THR A 38 -9.260 38.428 -11.644 1.00 0.00 C ATOM 473 OG1 THR A 38 -8.257 39.440 -11.755 1.00 0.00 O ATOM 474 CG2 THR A 38 -10.433 38.960 -10.825 1.00 0.00 C ATOM 0 H THR A 38 -10.410 36.319 -10.248 1.00 0.00 H new ATOM 0 HA THR A 38 -7.862 36.777 -11.648 1.00 0.00 H new ATOM 0 HB THR A 38 -9.620 38.167 -12.639 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.646 40.244 -12.159 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.825 39.862 -11.295 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.217 38.204 -10.779 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.095 39.194 -9.815 1.00 0.00 H new ATOM 482 N CYS A 39 -6.849 37.841 -9.578 1.00 0.00 N ATOM 483 CA CYS A 39 -6.225 38.200 -8.329 1.00 0.00 C ATOM 484 C CYS A 39 -6.198 39.707 -8.183 1.00 0.00 C ATOM 485 O CYS A 39 -5.760 40.425 -9.088 1.00 0.00 O ATOM 486 CB CYS A 39 -4.811 37.635 -8.243 1.00 0.00 C ATOM 487 SG CYS A 39 -3.969 38.015 -6.693 1.00 0.00 S ATOM 0 H CYS A 39 -6.244 37.926 -10.395 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.809 37.771 -7.515 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.854 36.553 -8.367 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.222 38.028 -9.072 1.00 0.00 H new ATOM 492 N ASN A 40 -6.669 40.190 -7.051 1.00 0.00 N ATOM 493 CA ASN A 40 -6.726 41.627 -6.807 1.00 0.00 C ATOM 494 C ASN A 40 -5.459 42.128 -6.133 1.00 0.00 C ATOM 495 O ASN A 40 -5.311 43.325 -5.883 1.00 0.00 O ATOM 496 CB ASN A 40 -7.959 41.992 -5.972 1.00 0.00 C ATOM 497 CG ASN A 40 -9.245 41.985 -6.787 1.00 0.00 C ATOM 498 OD1 ASN A 40 -9.660 43.015 -7.320 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.873 40.828 -6.902 1.00 0.00 N ATOM 0 H ASN A 40 -7.018 39.615 -6.284 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.807 42.120 -7.776 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.054 41.288 -5.145 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.817 42.980 -5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.733 40.766 -7.447 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.498 39.997 -6.446 1.00 0.00 H new ATOM 506 N CYS A 41 -4.548 41.219 -5.852 1.00 0.00 N ATOM 507 CA CYS A 41 -3.298 41.573 -5.219 1.00 0.00 C ATOM 508 C CYS A 41 -2.362 42.225 -6.214 1.00 0.00 C ATOM 509 O CYS A 41 -2.238 41.776 -7.355 1.00 0.00 O ATOM 510 CB CYS A 41 -2.654 40.344 -4.609 1.00 0.00 C ATOM 511 SG CYS A 41 -3.712 39.488 -3.431 1.00 0.00 S ATOM 0 H CYS A 41 -4.653 40.225 -6.054 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.503 42.290 -4.424 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.379 39.654 -5.407 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.731 40.638 -4.109 1.00 0.00 H new ATOM 516 N THR A 42 -1.715 43.284 -5.788 1.00 0.00 N ATOM 517 CA THR A 42 -0.817 44.009 -6.646 1.00 0.00 C ATOM 518 C THR A 42 0.621 43.663 -6.307 1.00 0.00 C ATOM 519 O THR A 42 0.896 43.095 -5.247 1.00 0.00 O ATOM 520 CB THR A 42 -1.021 45.533 -6.495 1.00 0.00 C ATOM 521 OG1 THR A 42 -0.710 45.929 -5.152 1.00 0.00 O ATOM 522 CG2 THR A 42 -2.460 45.918 -6.813 1.00 0.00 C ATOM 0 H THR A 42 -1.797 43.662 -4.844 1.00 0.00 H new ATOM 0 HA THR A 42 -1.032 43.724 -7.676 1.00 0.00 H new ATOM 0 HB THR A 42 -0.359 46.042 -7.195 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.838 46.896 -5.058 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.582 46.995 -6.700 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.695 45.631 -7.838 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.134 45.403 -6.128 1.00 0.00 H new ATOM 530 N SER A 43 1.534 44.007 -7.195 1.00 0.00 N ATOM 531 CA SER A 43 2.948 43.771 -6.968 1.00 0.00 C ATOM 532 C SER A 43 3.479 44.717 -5.889 1.00 0.00 C ATOM 533 O SER A 43 4.594 44.562 -5.401 1.00 0.00 O ATOM 534 CB SER A 43 3.720 43.969 -8.271 1.00 0.00 C ATOM 535 OG SER A 43 3.145 43.199 -9.317 1.00 0.00 O ATOM 0 H SER A 43 1.320 44.454 -8.087 1.00 0.00 H new ATOM 0 HA SER A 43 3.085 42.745 -6.625 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.716 45.024 -8.545 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.761 43.680 -8.130 1.00 0.00 H new ATOM 0 HG SER A 43 3.652 43.340 -10.144 1.00 0.00 H new ATOM 541 N ASP A 44 2.659 45.693 -5.520 1.00 0.00 N ATOM 542 CA ASP A 44 3.025 46.666 -4.507 1.00 0.00 C ATOM 543 C ASP A 44 2.617 46.186 -3.130 1.00 0.00 C ATOM 544 O ASP A 44 3.282 46.484 -2.133 1.00 0.00 O ATOM 545 CB ASP A 44 2.368 48.016 -4.794 1.00 0.00 C ATOM 546 CG ASP A 44 2.841 48.632 -6.088 1.00 0.00 C ATOM 547 OD1 ASP A 44 2.171 48.442 -7.124 1.00 0.00 O ATOM 548 OD2 ASP A 44 3.886 49.320 -6.078 1.00 0.00 O ATOM 0 H ASP A 44 1.728 45.829 -5.914 1.00 0.00 H new ATOM 0 HA ASP A 44 4.108 46.785 -4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.286 47.888 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.580 48.700 -3.972 1.00 0.00 H new ATOM 553 N GLY A 45 1.525 45.446 -3.073 1.00 0.00 N ATOM 554 CA GLY A 45 1.041 44.946 -1.818 1.00 0.00 C ATOM 555 C GLY A 45 0.027 43.845 -2.002 1.00 0.00 C ATOM 556 O GLY A 45 -0.899 43.965 -2.812 1.00 0.00 O ATOM 0 H GLY A 45 0.964 45.183 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.879 44.573 -1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.592 45.762 -1.252 1.00 0.00 H new ATOM 560 N CYS A 46 0.199 42.772 -1.267 1.00 0.00 N ATOM 561 CA CYS A 46 -0.706 41.650 -1.335 1.00 0.00 C ATOM 562 C CYS A 46 -2.025 42.021 -0.657 1.00 0.00 C ATOM 563 O CYS A 46 -2.030 42.629 0.416 1.00 0.00 O ATOM 564 CB CYS A 46 -0.075 40.431 -0.668 1.00 0.00 C ATOM 565 SG CYS A 46 -0.749 38.850 -1.214 1.00 0.00 S ATOM 0 H CYS A 46 0.968 42.652 -0.607 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.906 41.401 -2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.998 40.441 -0.861 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.205 40.514 0.411 1.00 0.00 H new ATOM 570 N LYS A 47 -3.134 41.664 -1.279 1.00 0.00 N ATOM 571 CA LYS A 47 -4.444 42.040 -0.764 1.00 0.00 C ATOM 572 C LYS A 47 -5.060 40.938 0.077 1.00 0.00 C ATOM 573 O LYS A 47 -5.938 41.200 0.900 1.00 0.00 O ATOM 574 CB LYS A 47 -5.387 42.424 -1.907 1.00 0.00 C ATOM 575 CG LYS A 47 -4.949 43.658 -2.684 1.00 0.00 C ATOM 576 CD LYS A 47 -4.984 44.908 -1.824 1.00 0.00 C ATOM 577 CE LYS A 47 -4.533 46.127 -2.611 1.00 0.00 C ATOM 578 NZ LYS A 47 -4.528 47.356 -1.780 1.00 0.00 N ATOM 0 H LYS A 47 -3.157 41.116 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.299 42.907 -0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.467 41.583 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.383 42.598 -1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.939 43.508 -3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.599 43.793 -3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.995 45.067 -1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.340 44.773 -0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.532 45.953 -3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.193 46.271 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.214 48.163 -2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.488 47.538 -1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.878 47.230 -0.978 1.00 0.00 H new ATOM 592 N CYS A 48 -4.620 39.713 -0.128 1.00 0.00 N ATOM 593 CA CYS A 48 -5.151 38.604 0.637 1.00 0.00 C ATOM 594 C CYS A 48 -4.207 38.240 1.773 1.00 0.00 C ATOM 595 O CYS A 48 -4.641 37.942 2.888 1.00 0.00 O ATOM 596 CB CYS A 48 -5.379 37.394 -0.263 1.00 0.00 C ATOM 597 SG CYS A 48 -3.861 36.645 -0.873 1.00 0.00 S ATOM 0 H CYS A 48 -3.904 39.462 -0.810 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.108 38.909 1.061 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.946 36.645 0.289 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.991 37.696 -1.113 1.00 0.00 H new ATOM 602 N GLY A 49 -2.917 38.274 1.488 1.00 0.00 N ATOM 603 CA GLY A 49 -1.936 37.950 2.487 1.00 0.00 C ATOM 604 C GLY A 49 -1.186 36.667 2.185 1.00 0.00 C ATOM 605 O GLY A 49 -0.365 36.228 2.983 1.00 0.00 O ATOM 0 H GLY A 49 -2.534 38.522 0.576 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.223 38.771 2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.428 37.858 3.455 1.00 0.00 H new ATOM 609 N LYS A 50 -1.465 36.060 1.033 1.00 0.00 N ATOM 610 CA LYS A 50 -0.767 34.833 0.632 1.00 0.00 C ATOM 611 C LYS A 50 0.587 35.172 0.022 1.00 0.00 C ATOM 612 O LYS A 50 1.380 34.283 -0.296 1.00 0.00 O ATOM 613 CB LYS A 50 -1.598 34.024 -0.374 1.00 0.00 C ATOM 614 CG LYS A 50 -2.971 33.602 0.130 1.00 0.00 C ATOM 615 CD LYS A 50 -2.881 32.771 1.397 1.00 0.00 C ATOM 616 CE LYS A 50 -4.253 32.285 1.837 1.00 0.00 C ATOM 617 NZ LYS A 50 -5.217 33.405 2.008 1.00 0.00 N ATOM 0 H LYS A 50 -2.161 36.391 0.365 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.621 34.226 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.725 34.617 -1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.038 33.131 -0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.576 34.489 0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.481 33.029 -0.644 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.227 31.916 1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.431 33.364 2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.642 31.583 1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.160 31.741 2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.900 33.164 2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.702 34.268 2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.724 33.566 1.114 1.00 0.00 H new ATOM 631 N GLU A 51 0.825 36.475 -0.149 1.00 0.00 N ATOM 632 CA GLU A 51 2.069 37.004 -0.711 1.00 0.00 C ATOM 633 C GLU A 51 2.182 36.654 -2.202 1.00 0.00 C ATOM 634 O GLU A 51 3.265 36.677 -2.787 1.00 0.00 O ATOM 635 CB GLU A 51 3.291 36.503 0.090 1.00 0.00 C ATOM 636 CG GLU A 51 4.574 37.270 -0.192 1.00 0.00 C ATOM 637 CD GLU A 51 5.725 36.831 0.685 1.00 0.00 C ATOM 638 OE1 GLU A 51 6.011 37.519 1.684 1.00 0.00 O ATOM 639 OE2 GLU A 51 6.350 35.799 0.381 1.00 0.00 O ATOM 0 H GLU A 51 0.152 37.199 0.102 1.00 0.00 H new ATOM 0 HA GLU A 51 2.051 38.091 -0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.067 36.570 1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.453 35.449 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.849 37.136 -1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.395 38.335 -0.043 1.00 0.00 H new ATOM 646 N CYS A 52 1.042 36.358 -2.816 1.00 0.00 N ATOM 647 CA CYS A 52 0.991 36.034 -4.228 1.00 0.00 C ATOM 648 C CYS A 52 1.246 37.275 -5.066 1.00 0.00 C ATOM 649 O CYS A 52 1.966 37.229 -6.065 1.00 0.00 O ATOM 650 CB CYS A 52 -0.363 35.429 -4.576 1.00 0.00 C ATOM 651 SG CYS A 52 -1.773 36.326 -3.894 1.00 0.00 S ATOM 0 H CYS A 52 0.136 36.337 -2.349 1.00 0.00 H new ATOM 0 HA CYS A 52 1.770 35.304 -4.448 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.462 35.389 -5.661 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.392 34.401 -4.215 1.00 0.00 H new ATOM 656 N THR A 53 0.647 38.388 -4.636 1.00 0.00 N ATOM 657 CA THR A 53 0.806 39.702 -5.274 1.00 0.00 C ATOM 658 C THR A 53 0.512 39.685 -6.780 1.00 0.00 C ATOM 659 O THR A 53 1.058 40.492 -7.538 1.00 0.00 O ATOM 660 CB THR A 53 2.209 40.319 -5.005 1.00 0.00 C ATOM 661 OG1 THR A 53 3.259 39.407 -5.377 1.00 0.00 O ATOM 662 CG2 THR A 53 2.352 40.682 -3.535 1.00 0.00 C ATOM 0 H THR A 53 0.029 38.405 -3.824 1.00 0.00 H new ATOM 0 HA THR A 53 0.054 40.338 -4.806 1.00 0.00 H new ATOM 0 HB THR A 53 2.298 41.219 -5.614 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.899 38.721 -5.977 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.338 41.113 -3.361 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.586 41.408 -3.263 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.235 39.786 -2.926 1.00 0.00 H new ATOM 670 N GLY A 54 -0.367 38.792 -7.206 1.00 0.00 N ATOM 671 CA GLY A 54 -0.709 38.732 -8.603 1.00 0.00 C ATOM 672 C GLY A 54 -1.077 37.337 -9.058 1.00 0.00 C ATOM 673 O GLY A 54 -0.690 36.351 -8.428 1.00 0.00 O ATOM 0 H GLY A 54 -0.844 38.114 -6.612 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.545 39.405 -8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.133 39.092 -9.194 1.00 0.00 H new ATOM 677 N PRO A 55 -1.807 37.220 -10.181 1.00 0.00 N ATOM 678 CA PRO A 55 -2.264 35.925 -10.712 1.00 0.00 C ATOM 679 C PRO A 55 -1.121 35.075 -11.262 1.00 0.00 C ATOM 680 O PRO A 55 -1.293 33.885 -11.531 1.00 0.00 O ATOM 681 CB PRO A 55 -3.211 36.327 -11.843 1.00 0.00 C ATOM 682 CG PRO A 55 -2.724 37.666 -12.277 1.00 0.00 C ATOM 683 CD PRO A 55 -2.247 38.347 -11.030 1.00 0.00 C ATOM 0 HA PRO A 55 -2.724 35.311 -9.938 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.179 35.608 -12.662 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.244 36.373 -11.499 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.918 37.573 -13.005 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.521 38.237 -12.755 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.431 39.040 -11.236 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.042 38.923 -10.556 1.00 0.00 H new ATOM 691 N ASP A 56 0.045 35.686 -11.417 1.00 0.00 N ATOM 692 CA ASP A 56 1.211 34.993 -11.956 1.00 0.00 C ATOM 693 C ASP A 56 1.938 34.230 -10.864 1.00 0.00 C ATOM 694 O ASP A 56 2.841 33.449 -11.134 1.00 0.00 O ATOM 695 CB ASP A 56 2.173 35.980 -12.625 1.00 0.00 C ATOM 696 CG ASP A 56 1.516 36.781 -13.727 1.00 0.00 C ATOM 697 OD1 ASP A 56 1.201 37.963 -13.497 1.00 0.00 O ATOM 698 OD2 ASP A 56 1.300 36.235 -14.825 1.00 0.00 O ATOM 0 H ASP A 56 0.211 36.663 -11.177 1.00 0.00 H new ATOM 0 HA ASP A 56 0.857 34.285 -12.705 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.569 36.662 -11.872 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.021 35.432 -13.036 1.00 0.00 H new ATOM 703 N SER A 57 1.550 34.473 -9.628 1.00 0.00 N ATOM 704 CA SER A 57 2.153 33.799 -8.492 1.00 0.00 C ATOM 705 C SER A 57 1.094 33.495 -7.441 1.00 0.00 C ATOM 706 O SER A 57 1.394 33.361 -6.256 1.00 0.00 O ATOM 707 CB SER A 57 3.263 34.669 -7.900 1.00 0.00 C ATOM 708 OG SER A 57 4.256 34.946 -8.878 1.00 0.00 O ATOM 0 H SER A 57 0.815 35.136 -9.382 1.00 0.00 H new ATOM 0 HA SER A 57 2.588 32.857 -8.825 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.841 35.603 -7.527 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.715 34.161 -7.048 1.00 0.00 H new ATOM 0 HG SER A 57 4.957 35.505 -8.483 1.00 0.00 H new ATOM 714 N CYS A 58 -0.144 33.362 -7.895 1.00 0.00 N ATOM 715 CA CYS A 58 -1.263 33.116 -7.009 1.00 0.00 C ATOM 716 C CYS A 58 -1.210 31.700 -6.441 1.00 0.00 C ATOM 717 O CYS A 58 -1.185 30.715 -7.185 1.00 0.00 O ATOM 718 CB CYS A 58 -2.579 33.358 -7.742 1.00 0.00 C ATOM 719 SG CYS A 58 -3.869 34.098 -6.717 1.00 0.00 S ATOM 0 H CYS A 58 -0.396 33.422 -8.882 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.199 33.812 -6.173 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.392 34.008 -8.597 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.943 32.409 -8.136 1.00 0.00 H new ATOM 724 N LYS A 59 -1.191 31.611 -5.121 1.00 0.00 N ATOM 725 CA LYS A 59 -1.105 30.331 -4.425 1.00 0.00 C ATOM 726 C LYS A 59 -2.493 29.906 -3.941 1.00 0.00 C ATOM 727 O LYS A 59 -2.647 28.887 -3.261 1.00 0.00 O ATOM 728 CB LYS A 59 -0.179 30.464 -3.205 1.00 0.00 C ATOM 729 CG LYS A 59 1.095 31.275 -3.443 1.00 0.00 C ATOM 730 CD LYS A 59 2.092 30.546 -4.325 1.00 0.00 C ATOM 731 CE LYS A 59 3.357 31.373 -4.508 1.00 0.00 C ATOM 732 NZ LYS A 59 4.396 30.653 -5.285 1.00 0.00 N ATOM 0 H LYS A 59 -1.234 32.419 -4.501 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.709 29.585 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.739 30.926 -2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.102 29.465 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.835 32.227 -3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.561 31.503 -2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.343 29.583 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.643 30.340 -5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.108 32.305 -5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.758 31.640 -3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.237 31.257 -5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.655 29.776 -4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.025 30.421 -6.229 1.00 0.00 H new ATOM 746 N CYS A 60 -3.491 30.688 -4.300 1.00 0.00 N ATOM 747 CA CYS A 60 -4.842 30.485 -3.821 1.00 0.00 C ATOM 748 C CYS A 60 -5.855 30.673 -4.944 1.00 0.00 C ATOM 749 O CYS A 60 -5.580 31.358 -5.934 1.00 0.00 O ATOM 750 CB CYS A 60 -5.090 31.489 -2.716 1.00 0.00 C ATOM 751 SG CYS A 60 -4.281 33.078 -3.033 1.00 0.00 S ATOM 0 H CYS A 60 -3.388 31.482 -4.932 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.957 29.467 -3.450 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.163 31.646 -2.606 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.729 31.082 -1.771 1.00 0.00 H new ATOM 756 N GLY A 61 -7.032 30.091 -4.789 1.00 0.00 N ATOM 757 CA GLY A 61 -8.029 30.196 -5.822 1.00 0.00 C ATOM 758 C GLY A 61 -9.447 30.152 -5.300 1.00 0.00 C ATOM 759 O GLY A 61 -9.677 29.908 -4.116 1.00 0.00 O ATOM 0 H GLY A 61 -7.311 29.551 -3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.880 31.129 -6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.888 29.384 -6.536 1.00 0.00 H new ATOM 763 N SER A 62 -10.383 30.414 -6.200 1.00 0.00 N ATOM 764 CA SER A 62 -11.816 30.382 -5.934 1.00 0.00 C ATOM 765 C SER A 62 -12.278 31.419 -4.911 1.00 0.00 C ATOM 766 O SER A 62 -12.696 32.509 -5.283 1.00 0.00 O ATOM 767 CB SER A 62 -12.282 28.974 -5.544 1.00 0.00 C ATOM 768 OG SER A 62 -11.991 28.040 -6.568 1.00 0.00 O ATOM 0 H SER A 62 -10.161 30.662 -7.164 1.00 0.00 H new ATOM 0 HA SER A 62 -12.294 30.658 -6.874 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.793 28.669 -4.619 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.354 28.983 -5.350 1.00 0.00 H new ATOM 0 HG SER A 62 -11.025 28.028 -6.735 1.00 0.00 H new ATOM 774 N SER A 63 -12.184 31.095 -3.640 1.00 0.00 N ATOM 775 CA SER A 63 -12.710 31.967 -2.615 1.00 0.00 C ATOM 776 C SER A 63 -11.629 32.490 -1.674 1.00 0.00 C ATOM 777 O SER A 63 -11.595 32.134 -0.498 1.00 0.00 O ATOM 778 CB SER A 63 -13.796 31.239 -1.821 1.00 0.00 C ATOM 779 OG SER A 63 -14.769 30.669 -2.689 1.00 0.00 O ATOM 0 H SER A 63 -11.751 30.239 -3.294 1.00 0.00 H new ATOM 0 HA SER A 63 -13.137 32.835 -3.117 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.343 30.456 -1.213 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.279 31.936 -1.136 1.00 0.00 H new ATOM 0 HG SER A 63 -15.451 30.208 -2.158 1.00 0.00 H new ATOM 785 N CYS A 64 -10.728 33.303 -2.191 1.00 0.00 N ATOM 786 CA CYS A 64 -9.748 33.948 -1.346 1.00 0.00 C ATOM 787 C CYS A 64 -10.007 35.446 -1.322 1.00 0.00 C ATOM 788 O CYS A 64 -10.745 35.962 -2.157 1.00 0.00 O ATOM 789 CB CYS A 64 -8.323 33.660 -1.819 1.00 0.00 C ATOM 790 SG CYS A 64 -7.034 34.264 -0.685 1.00 0.00 S ATOM 0 H CYS A 64 -10.656 33.530 -3.183 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.844 33.545 -0.338 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.204 32.584 -1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.176 34.117 -2.797 1.00 0.00 H new ATOM 795 N SER A 65 -9.377 36.138 -0.391 1.00 0.00 N ATOM 796 CA SER A 65 -9.559 37.572 -0.218 1.00 0.00 C ATOM 797 C SER A 65 -9.057 38.371 -1.440 1.00 0.00 C ATOM 798 O SER A 65 -9.271 39.579 -1.529 1.00 0.00 O ATOM 799 CB SER A 65 -8.829 38.021 1.039 1.00 0.00 C ATOM 800 OG SER A 65 -9.127 37.159 2.126 1.00 0.00 O ATOM 0 H SER A 65 -8.721 35.722 0.270 1.00 0.00 H new ATOM 0 HA SER A 65 -10.627 37.770 -0.121 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.754 38.029 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.118 39.042 1.288 1.00 0.00 H new ATOM 0 HG SER A 65 -8.647 37.462 2.925 1.00 0.00 H new ATOM 806 N CYS A 66 -8.374 37.697 -2.361 1.00 0.00 N ATOM 807 CA CYS A 66 -7.894 38.343 -3.575 1.00 0.00 C ATOM 808 C CYS A 66 -8.741 37.957 -4.775 1.00 0.00 C ATOM 809 O CYS A 66 -8.633 38.560 -5.839 1.00 0.00 O ATOM 810 CB CYS A 66 -6.431 37.998 -3.839 1.00 0.00 C ATOM 811 SG CYS A 66 -6.082 36.236 -3.974 1.00 0.00 S ATOM 0 H CYS A 66 -8.142 36.706 -2.289 1.00 0.00 H new ATOM 0 HA CYS A 66 -7.977 39.419 -3.424 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.118 38.488 -4.761 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.824 38.414 -3.035 1.00 0.00 H new ATOM 816 N LYS A 67 -9.594 36.965 -4.597 1.00 0.00 N ATOM 817 CA LYS A 67 -10.444 36.488 -5.679 1.00 0.00 C ATOM 818 C LYS A 67 -11.741 37.297 -5.726 1.00 0.00 C ATOM 819 O LYS A 67 -12.568 37.110 -4.806 1.00 0.00 O ATOM 820 CB LYS A 67 -10.769 35.000 -5.497 1.00 0.00 C ATOM 821 CG LYS A 67 -9.557 34.060 -5.459 1.00 0.00 C ATOM 822 CD LYS A 67 -8.862 33.942 -6.809 1.00 0.00 C ATOM 823 CE LYS A 67 -7.487 34.602 -6.801 1.00 0.00 C ATOM 824 NZ LYS A 67 -6.571 34.006 -5.781 1.00 0.00 N ATOM 0 H LYS A 67 -9.719 36.472 -3.713 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.906 36.616 -6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.330 34.879 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.425 34.687 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.844 34.423 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.879 33.071 -5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.758 32.890 -7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.482 34.404 -7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.036 34.507 -7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.601 35.668 -6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.584 34.156 -6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.734 34.460 -4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.757 32.986 -5.701 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 ZN ZN A 101 -15.352 29.509 -14.503 1.00 0.00 ZN HETATM 840 ZN ZN A 102 -15.607 33.342 -15.626 1.00 0.00 ZN HETATM 841 ZN ZN A 103 -16.237 32.196 -11.837 1.00 0.00 ZN HETATM 842 ZN ZN A 104 -3.922 36.143 -5.345 1.00 0.00 ZN HETATM 843 ZN ZN A 105 -5.338 35.021 -2.156 1.00 0.00 ZN HETATM 844 ZN ZN A 106 -2.514 37.773 -2.358 1.00 0.00 ZN