USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 11 THR OG1 : rot 150:sc= -0.956 USER MOD Set 2.2: A 26 GLN : amide:sc= 0.322 K(o=-0.63,f=-3.7!) USER MOD Set 3.1: A 4 LYS NZ :NH3+ -149:sc= 1.33 (180deg=1.01) USER MOD Set 3.2: A 32 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0 (180deg=-0.00411) USER MOD Single : A 2 SER OG : rot -34:sc= 0.335 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc=0.000933 USER MOD Single : A 16 SER OG : rot 49:sc= 1.22 USER MOD Single : A 20 GLN : amide:sc= 0.0677 X(o=0.068,f=-0.0004) 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 37 LYS NZ :NH3+ -130:sc= 1.94 (180deg=-0.0787) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 40 ASN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 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+ 158:sc= 0.834 (180deg=0.496) USER MOD Single : A 53 THR OG1 : rot 18:sc= 0.803 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= 0.925 (180deg=0.818) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -145:sc= 0.204 (180deg=-1.38!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.044 29.703 -18.617 1.00 0.00 N ATOM 2 CA GLY A 1 -5.083 30.661 -18.139 1.00 0.00 C ATOM 3 C GLY A 1 -5.547 31.601 -19.234 1.00 0.00 C ATOM 4 O GLY A 1 -5.688 32.806 -19.012 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.734 29.104 -17.826 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.443 29.105 -19.368 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.230 30.232 -18.991 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.938 30.104 -17.755 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.683 31.243 -17.309 1.00 0.00 H new ATOM 7 N SER A 2 -5.780 31.053 -20.417 1.00 0.00 N ATOM 8 CA SER A 2 -6.213 31.847 -21.551 1.00 0.00 C ATOM 9 C SER A 2 -7.635 31.454 -21.976 1.00 0.00 C ATOM 10 O SER A 2 -8.196 32.022 -22.918 1.00 0.00 O ATOM 11 CB SER A 2 -5.225 31.671 -22.716 1.00 0.00 C ATOM 12 OG SER A 2 -5.531 32.538 -23.795 1.00 0.00 O ATOM 0 H SER A 2 -5.675 30.058 -20.614 1.00 0.00 H new ATOM 0 HA SER A 2 -6.230 32.898 -21.262 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.211 31.867 -22.367 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.249 30.637 -23.061 1.00 0.00 H new ATOM 0 HG SER A 2 -6.502 32.650 -23.860 1.00 0.00 H new ATOM 18 N GLY A 3 -8.213 30.493 -21.272 1.00 0.00 N ATOM 19 CA GLY A 3 -9.550 30.041 -21.597 1.00 0.00 C ATOM 20 C GLY A 3 -9.599 28.549 -21.839 1.00 0.00 C ATOM 21 O GLY A 3 -8.702 27.989 -22.473 1.00 0.00 O ATOM 0 H GLY A 3 -7.780 30.017 -20.480 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -10.228 30.299 -20.783 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.904 30.564 -22.485 1.00 0.00 H new ATOM 25 N LYS A 4 -10.632 27.901 -21.333 1.00 0.00 N ATOM 26 CA LYS A 4 -10.779 26.461 -21.489 1.00 0.00 C ATOM 27 C LYS A 4 -11.728 26.120 -22.620 1.00 0.00 C ATOM 28 O LYS A 4 -12.744 26.790 -22.821 1.00 0.00 O ATOM 29 CB LYS A 4 -11.283 25.804 -20.191 1.00 0.00 C ATOM 30 CG LYS A 4 -10.205 25.521 -19.151 1.00 0.00 C ATOM 31 CD LYS A 4 -9.580 26.793 -18.619 1.00 0.00 C ATOM 32 CE LYS A 4 -8.510 26.489 -17.591 1.00 0.00 C ATOM 33 NZ LYS A 4 -7.833 27.717 -17.127 1.00 0.00 N ATOM 0 H LYS A 4 -11.384 28.348 -20.809 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.790 26.070 -21.725 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.037 26.451 -19.743 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.777 24.866 -20.444 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.638 24.957 -18.325 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.431 24.894 -19.593 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.146 27.360 -19.443 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.351 27.420 -18.171 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.958 25.977 -16.740 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.775 25.809 -18.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.847 27.497 -16.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.849 28.429 -17.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.326 28.090 -16.291 1.00 0.00 H new ATOM 47 N GLY A 5 -11.382 25.095 -23.369 1.00 0.00 N ATOM 48 CA GLY A 5 -12.255 24.602 -24.403 1.00 0.00 C ATOM 49 C GLY A 5 -13.146 23.526 -23.850 1.00 0.00 C ATOM 50 O GLY A 5 -14.257 23.298 -24.338 1.00 0.00 O ATOM 0 H GLY A 5 -10.501 24.589 -23.278 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.859 25.418 -24.801 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.666 24.208 -25.231 1.00 0.00 H new ATOM 54 N LYS A 6 -12.654 22.870 -22.812 1.00 0.00 N ATOM 55 CA LYS A 6 -13.395 21.837 -22.127 1.00 0.00 C ATOM 56 C LYS A 6 -14.406 22.453 -21.182 1.00 0.00 C ATOM 57 O LYS A 6 -14.073 23.333 -20.383 1.00 0.00 O ATOM 58 CB LYS A 6 -12.446 20.931 -21.344 1.00 0.00 C ATOM 59 CG LYS A 6 -11.522 20.098 -22.212 1.00 0.00 C ATOM 60 CD LYS A 6 -12.300 19.096 -23.035 1.00 0.00 C ATOM 61 CE LYS A 6 -11.378 18.217 -23.853 1.00 0.00 C ATOM 62 NZ LYS A 6 -12.133 17.212 -24.633 1.00 0.00 N ATOM 0 H LYS A 6 -11.727 23.043 -22.424 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.921 21.241 -22.873 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.842 21.546 -20.677 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.035 20.263 -20.716 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.953 20.751 -22.873 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.802 19.575 -21.583 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.907 18.475 -22.376 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.986 19.623 -23.698 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.790 18.837 -24.530 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.675 17.711 -23.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.470 16.628 -25.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.675 16.605 -23.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.786 17.695 -25.282 1.00 0.00 H new ATOM 76 N GLY A 7 -15.631 21.997 -21.276 1.00 0.00 N ATOM 77 CA GLY A 7 -16.664 22.490 -20.413 1.00 0.00 C ATOM 78 C GLY A 7 -16.634 21.807 -19.073 1.00 0.00 C ATOM 79 O GLY A 7 -17.320 20.801 -18.867 1.00 0.00 O ATOM 0 H GLY A 7 -15.932 21.286 -21.942 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.545 23.565 -20.278 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.636 22.334 -20.881 1.00 0.00 H new ATOM 83 N GLU A 8 -15.825 22.334 -18.170 1.00 0.00 N ATOM 84 CA GLU A 8 -15.692 21.782 -16.838 1.00 0.00 C ATOM 85 C GLU A 8 -16.995 21.917 -16.058 1.00 0.00 C ATOM 86 O GLU A 8 -17.843 21.021 -16.087 1.00 0.00 O ATOM 87 CB GLU A 8 -14.546 22.465 -16.090 1.00 0.00 C ATOM 88 CG GLU A 8 -13.177 22.193 -16.686 1.00 0.00 C ATOM 89 CD GLU A 8 -12.815 20.729 -16.640 1.00 0.00 C ATOM 90 OE1 GLU A 8 -12.653 20.109 -17.713 1.00 0.00 O ATOM 91 OE2 GLU A 8 -12.699 20.182 -15.524 1.00 0.00 O ATOM 0 H GLU A 8 -15.244 23.155 -18.342 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.463 20.720 -16.932 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.721 23.541 -16.081 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.553 22.132 -15.052 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.158 22.538 -17.720 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.426 22.768 -16.144 1.00 0.00 H new ATOM 98 N LYS A 9 -17.153 23.043 -15.380 1.00 0.00 N ATOM 99 CA LYS A 9 -18.350 23.322 -14.595 1.00 0.00 C ATOM 100 C LYS A 9 -18.566 24.817 -14.484 1.00 0.00 C ATOM 101 O LYS A 9 -18.737 25.358 -13.392 1.00 0.00 O ATOM 102 CB LYS A 9 -18.259 22.716 -13.192 1.00 0.00 C ATOM 103 CG LYS A 9 -18.418 21.201 -13.140 1.00 0.00 C ATOM 104 CD LYS A 9 -18.749 20.724 -11.735 1.00 0.00 C ATOM 105 CE LYS A 9 -17.653 21.078 -10.749 1.00 0.00 C ATOM 106 NZ LYS A 9 -18.076 20.844 -9.352 1.00 0.00 N ATOM 0 H LYS A 9 -16.458 23.789 -15.357 1.00 0.00 H new ATOM 0 HA LYS A 9 -19.194 22.864 -15.111 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -17.295 22.981 -12.758 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -19.026 23.170 -12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -19.208 20.893 -13.825 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.498 20.726 -13.480 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -19.688 21.172 -11.411 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -18.896 19.644 -11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.765 20.484 -10.964 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.375 22.125 -10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.300 21.097 -8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.909 21.429 -9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.317 19.840 -9.226 1.00 0.00 H new ATOM 120 N CYS A 10 -18.533 25.479 -15.604 1.00 0.00 N ATOM 121 CA CYS A 10 -18.765 26.902 -15.642 1.00 0.00 C ATOM 122 C CYS A 10 -20.199 27.183 -16.045 1.00 0.00 C ATOM 123 O CYS A 10 -20.702 26.624 -17.023 1.00 0.00 O ATOM 124 CB CYS A 10 -17.771 27.586 -16.580 1.00 0.00 C ATOM 125 SG CYS A 10 -16.049 27.460 -16.022 1.00 0.00 S ATOM 0 H CYS A 10 -18.346 25.056 -16.513 1.00 0.00 H new ATOM 0 HA CYS A 10 -18.608 27.315 -14.646 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -17.857 27.144 -17.573 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -18.038 28.638 -16.675 1.00 0.00 H new ATOM 130 N THR A 11 -20.862 28.037 -15.285 1.00 0.00 N ATOM 131 CA THR A 11 -22.259 28.331 -15.512 1.00 0.00 C ATOM 132 C THR A 11 -22.457 29.259 -16.702 1.00 0.00 C ATOM 133 O THR A 11 -21.487 29.714 -17.328 1.00 0.00 O ATOM 134 CB THR A 11 -22.898 28.961 -14.263 1.00 0.00 C ATOM 135 OG1 THR A 11 -22.150 30.121 -13.871 1.00 0.00 O ATOM 136 CG2 THR A 11 -22.930 27.966 -13.115 1.00 0.00 C ATOM 0 H THR A 11 -20.448 28.541 -14.500 1.00 0.00 H new ATOM 0 HA THR A 11 -22.749 27.382 -15.730 1.00 0.00 H new ATOM 0 HB THR A 11 -23.922 29.247 -14.505 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.750 30.770 -13.448 1.00 0.00 H new ATOM 0 HG21 THR A 11 -23.386 28.433 -12.242 1.00 0.00 H new ATOM 0 HG22 THR A 11 -23.514 27.093 -13.406 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.913 27.658 -12.872 1.00 0.00 H new ATOM 144 N SER A 12 -23.715 29.546 -17.001 1.00 0.00 N ATOM 145 CA SER A 12 -24.077 30.409 -18.102 1.00 0.00 C ATOM 146 C SER A 12 -23.429 31.784 -17.960 1.00 0.00 C ATOM 147 O SER A 12 -23.056 32.407 -18.946 1.00 0.00 O ATOM 148 CB SER A 12 -25.592 30.538 -18.161 1.00 0.00 C ATOM 149 OG SER A 12 -26.194 29.253 -18.178 1.00 0.00 O ATOM 0 H SER A 12 -24.513 29.182 -16.481 1.00 0.00 H new ATOM 0 HA SER A 12 -23.713 29.968 -19.030 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.950 31.104 -17.301 1.00 0.00 H new ATOM 0 HB3 SER A 12 -25.882 31.095 -19.052 1.00 0.00 H new ATOM 0 HG SER A 12 -27.169 29.349 -18.214 1.00 0.00 H new ATOM 155 N ALA A 13 -23.270 32.227 -16.723 1.00 0.00 N ATOM 156 CA ALA A 13 -22.683 33.522 -16.431 1.00 0.00 C ATOM 157 C ALA A 13 -21.214 33.567 -16.830 1.00 0.00 C ATOM 158 O ALA A 13 -20.763 34.524 -17.450 1.00 0.00 O ATOM 159 CB ALA A 13 -22.834 33.845 -14.952 1.00 0.00 C ATOM 0 H ALA A 13 -23.544 31.698 -15.895 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.214 34.272 -17.018 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.390 34.819 -14.745 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.892 33.866 -14.690 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.328 33.082 -14.360 1.00 0.00 H new ATOM 165 N CYS A 14 -20.483 32.522 -16.490 1.00 0.00 N ATOM 166 CA CYS A 14 -19.054 32.461 -16.775 1.00 0.00 C ATOM 167 C CYS A 14 -18.795 32.312 -18.274 1.00 0.00 C ATOM 168 O CYS A 14 -17.834 32.849 -18.805 1.00 0.00 O ATOM 169 CB CYS A 14 -18.418 31.306 -16.008 1.00 0.00 C ATOM 170 SG CYS A 14 -16.616 31.253 -16.088 1.00 0.00 S ATOM 0 H CYS A 14 -20.853 31.699 -16.014 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.601 33.397 -16.450 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -18.720 31.371 -14.963 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.814 30.368 -16.397 1.00 0.00 H new ATOM 175 N ARG A 15 -19.672 31.594 -18.957 1.00 0.00 N ATOM 176 CA ARG A 15 -19.508 31.394 -20.392 1.00 0.00 C ATOM 177 C ARG A 15 -19.955 32.625 -21.184 1.00 0.00 C ATOM 178 O ARG A 15 -19.777 32.691 -22.404 1.00 0.00 O ATOM 179 CB ARG A 15 -20.267 30.157 -20.870 1.00 0.00 C ATOM 180 CG ARG A 15 -21.773 30.306 -20.845 1.00 0.00 C ATOM 181 CD ARG A 15 -22.457 29.139 -21.538 1.00 0.00 C ATOM 182 NE ARG A 15 -22.099 29.059 -22.959 1.00 0.00 N ATOM 183 CZ ARG A 15 -21.275 28.137 -23.480 1.00 0.00 C ATOM 184 NH1 ARG A 15 -20.696 27.231 -22.694 1.00 0.00 N ATOM 185 NH2 ARG A 15 -21.029 28.128 -24.784 1.00 0.00 N ATOM 0 H ARG A 15 -20.493 31.145 -18.551 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.445 31.238 -20.574 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -19.953 29.922 -21.887 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -19.986 29.309 -20.246 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -22.117 30.370 -19.813 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -22.056 31.238 -21.334 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -22.180 28.209 -21.041 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -23.538 29.242 -21.441 1.00 0.00 H new ATOM 0 HE ARG A 15 -22.503 29.749 -23.592 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.878 27.236 -21.690 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.071 26.533 -23.096 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.466 28.822 -25.390 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -20.403 27.427 -25.180 1.00 0.00 H new ATOM 199 N SER A 16 -20.535 33.594 -20.494 1.00 0.00 N ATOM 200 CA SER A 16 -20.985 34.808 -21.140 1.00 0.00 C ATOM 201 C SER A 16 -19.812 35.741 -21.372 1.00 0.00 C ATOM 202 O SER A 16 -18.817 35.687 -20.656 1.00 0.00 O ATOM 203 CB SER A 16 -22.045 35.505 -20.294 1.00 0.00 C ATOM 204 OG SER A 16 -23.188 34.688 -20.129 1.00 0.00 O ATOM 0 H SER A 16 -20.703 33.560 -19.489 1.00 0.00 H new ATOM 0 HA SER A 16 -21.426 34.544 -22.101 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.629 35.754 -19.318 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.332 36.444 -20.767 1.00 0.00 H new ATOM 0 HG SER A 16 -22.911 33.789 -19.853 1.00 0.00 H new ATOM 210 N GLU A 17 -19.926 36.582 -22.373 1.00 0.00 N ATOM 211 CA GLU A 17 -18.883 37.529 -22.687 1.00 0.00 C ATOM 212 C GLU A 17 -19.452 38.942 -22.746 1.00 0.00 C ATOM 213 O GLU A 17 -20.357 39.214 -23.533 1.00 0.00 O ATOM 214 CB GLU A 17 -18.221 37.166 -24.008 1.00 0.00 C ATOM 215 CG GLU A 17 -17.506 35.827 -23.987 1.00 0.00 C ATOM 216 CD GLU A 17 -16.885 35.483 -25.316 1.00 0.00 C ATOM 217 OE1 GLU A 17 -15.942 36.189 -25.733 1.00 0.00 O ATOM 218 OE2 GLU A 17 -17.330 34.506 -25.950 1.00 0.00 O ATOM 0 H GLU A 17 -20.738 36.629 -22.988 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.129 37.492 -21.901 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.979 37.151 -24.791 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.506 37.945 -24.272 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.731 35.845 -23.221 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.213 35.046 -23.707 1.00 0.00 H new ATOM 225 N PRO A 18 -18.957 39.859 -21.891 1.00 0.00 N ATOM 226 CA PRO A 18 -17.912 39.561 -20.897 1.00 0.00 C ATOM 227 C PRO A 18 -18.427 38.656 -19.781 1.00 0.00 C ATOM 228 O PRO A 18 -19.647 38.539 -19.574 1.00 0.00 O ATOM 229 CB PRO A 18 -17.551 40.940 -20.339 1.00 0.00 C ATOM 230 CG PRO A 18 -18.775 41.756 -20.547 1.00 0.00 C ATOM 231 CD PRO A 18 -19.378 41.268 -21.833 1.00 0.00 C ATOM 0 HA PRO A 18 -17.067 39.030 -21.335 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -17.286 40.884 -19.283 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.695 41.368 -20.861 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -19.472 41.635 -19.718 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.532 42.817 -20.607 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -20.464 41.364 -21.830 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -19.011 41.833 -22.690 1.00 0.00 H new ATOM 239 N CYS A 19 -17.498 38.023 -19.077 1.00 0.00 N ATOM 240 CA CYS A 19 -17.818 37.087 -18.003 1.00 0.00 C ATOM 241 C CYS A 19 -18.785 37.717 -16.999 1.00 0.00 C ATOM 242 O CYS A 19 -18.579 38.840 -16.542 1.00 0.00 O ATOM 243 CB CYS A 19 -16.533 36.644 -17.305 1.00 0.00 C ATOM 244 SG CYS A 19 -16.463 34.881 -16.919 1.00 0.00 S ATOM 0 H CYS A 19 -16.497 38.143 -19.234 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.308 36.214 -18.435 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.683 36.899 -17.939 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.422 37.211 -16.380 1.00 0.00 H new ATOM 249 N GLN A 20 -19.843 36.998 -16.676 1.00 0.00 N ATOM 250 CA GLN A 20 -20.873 37.506 -15.776 1.00 0.00 C ATOM 251 C GLN A 20 -20.784 36.862 -14.405 1.00 0.00 C ATOM 252 O GLN A 20 -21.666 37.047 -13.568 1.00 0.00 O ATOM 253 CB GLN A 20 -22.254 37.249 -16.364 1.00 0.00 C ATOM 254 CG GLN A 20 -22.492 37.917 -17.699 1.00 0.00 C ATOM 255 CD GLN A 20 -22.611 39.426 -17.590 1.00 0.00 C ATOM 256 OE1 GLN A 20 -23.708 39.961 -17.401 1.00 0.00 O ATOM 257 NE2 GLN A 20 -21.496 40.118 -17.712 1.00 0.00 N ATOM 0 H GLN A 20 -20.016 36.055 -17.023 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.711 38.578 -15.663 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.394 36.174 -16.478 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -23.008 37.595 -15.657 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.673 37.670 -18.375 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.403 37.517 -18.143 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.611 39.636 -17.867 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.518 41.136 -17.651 1.00 0.00 H new ATOM 266 N CYS A 21 -19.727 36.108 -14.173 1.00 0.00 N ATOM 267 CA CYS A 21 -19.541 35.442 -12.887 1.00 0.00 C ATOM 268 C CYS A 21 -19.424 36.471 -11.758 1.00 0.00 C ATOM 269 O CYS A 21 -19.902 36.242 -10.637 1.00 0.00 O ATOM 270 CB CYS A 21 -18.301 34.567 -12.923 1.00 0.00 C ATOM 271 SG CYS A 21 -18.613 32.796 -12.812 1.00 0.00 S ATOM 0 H CYS A 21 -18.984 35.938 -14.851 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.412 34.815 -12.696 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.760 34.768 -13.848 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.646 34.857 -12.101 1.00 0.00 H new ATOM 276 N GLY A 22 -18.788 37.598 -12.066 1.00 0.00 N ATOM 277 CA GLY A 22 -18.637 38.670 -11.104 1.00 0.00 C ATOM 278 C GLY A 22 -17.839 38.258 -9.889 1.00 0.00 C ATOM 279 O GLY A 22 -16.802 37.598 -10.007 1.00 0.00 O ATOM 0 H GLY A 22 -18.371 37.787 -12.977 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -18.147 39.517 -11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -19.623 39.010 -10.787 1.00 0.00 H new ATOM 283 N SER A 23 -18.318 38.639 -8.722 1.00 0.00 N ATOM 284 CA SER A 23 -17.645 38.306 -7.487 1.00 0.00 C ATOM 285 C SER A 23 -18.308 37.115 -6.806 1.00 0.00 C ATOM 286 O SER A 23 -17.803 36.602 -5.808 1.00 0.00 O ATOM 287 CB SER A 23 -17.616 39.513 -6.552 1.00 0.00 C ATOM 288 OG SER A 23 -16.948 40.614 -7.163 1.00 0.00 O ATOM 0 H SER A 23 -19.174 39.181 -8.605 1.00 0.00 H new ATOM 0 HA SER A 23 -16.618 38.028 -7.725 1.00 0.00 H new ATOM 0 HB2 SER A 23 -18.635 39.800 -6.291 1.00 0.00 H new ATOM 0 HB3 SER A 23 -17.112 39.246 -5.623 1.00 0.00 H new ATOM 0 HG SER A 23 -16.943 41.376 -6.547 1.00 0.00 H new ATOM 294 N LYS A 24 -19.440 36.671 -7.348 1.00 0.00 N ATOM 295 CA LYS A 24 -20.130 35.518 -6.797 1.00 0.00 C ATOM 296 C LYS A 24 -19.434 34.265 -7.266 1.00 0.00 C ATOM 297 O LYS A 24 -19.171 33.355 -6.479 1.00 0.00 O ATOM 298 CB LYS A 24 -21.600 35.500 -7.231 1.00 0.00 C ATOM 299 CG LYS A 24 -22.426 36.667 -6.697 1.00 0.00 C ATOM 300 CD LYS A 24 -22.534 36.648 -5.179 1.00 0.00 C ATOM 301 CE LYS A 24 -23.217 35.382 -4.681 1.00 0.00 C ATOM 302 NZ LYS A 24 -23.469 35.430 -3.223 1.00 0.00 N ATOM 0 H LYS A 24 -19.892 37.091 -8.161 1.00 0.00 H new ATOM 0 HA LYS A 24 -20.105 35.572 -5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -21.645 35.506 -8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -22.054 34.566 -6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -21.973 37.606 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -23.425 36.631 -7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -21.538 36.721 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -23.094 37.521 -4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -24.161 35.247 -5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -22.595 34.518 -4.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -23.935 34.550 -2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -22.566 35.534 -2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -24.083 36.240 -3.003 1.00 0.00 H new ATOM 316 N CYS A 25 -19.127 34.251 -8.562 1.00 0.00 N ATOM 317 CA CYS A 25 -18.406 33.165 -9.200 1.00 0.00 C ATOM 318 C CYS A 25 -19.136 31.834 -9.040 1.00 0.00 C ATOM 319 O CYS A 25 -18.941 31.105 -8.064 1.00 0.00 O ATOM 320 CB CYS A 25 -16.993 33.084 -8.657 1.00 0.00 C ATOM 321 SG CYS A 25 -15.792 32.595 -9.882 1.00 0.00 S ATOM 0 H CYS A 25 -19.378 35.005 -9.201 1.00 0.00 H new ATOM 0 HA CYS A 25 -18.355 33.375 -10.268 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -16.712 34.055 -8.250 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -16.969 32.373 -7.831 1.00 0.00 H new ATOM 326 N GLN A 26 -19.965 31.524 -10.009 1.00 0.00 N ATOM 327 CA GLN A 26 -20.799 30.331 -9.951 1.00 0.00 C ATOM 328 C GLN A 26 -20.110 29.093 -10.533 1.00 0.00 C ATOM 329 O GLN A 26 -20.586 27.972 -10.345 1.00 0.00 O ATOM 330 CB GLN A 26 -22.104 30.578 -10.689 1.00 0.00 C ATOM 331 CG GLN A 26 -22.880 31.782 -10.195 1.00 0.00 C ATOM 332 CD GLN A 26 -24.099 32.059 -11.044 1.00 0.00 C ATOM 333 OE1 GLN A 26 -24.111 31.768 -12.243 1.00 0.00 O ATOM 334 NE2 GLN A 26 -25.123 32.618 -10.437 1.00 0.00 N ATOM 0 H GLN A 26 -20.085 32.081 -10.855 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.989 30.129 -8.897 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.889 30.709 -11.750 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.733 29.692 -10.598 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -23.188 31.616 -9.163 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.231 32.657 -10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -25.067 32.841 -9.443 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -25.973 32.829 -10.960 1.00 0.00 H new ATOM 343 N CYS A 27 -19.008 29.280 -11.234 1.00 0.00 N ATOM 344 CA CYS A 27 -18.324 28.150 -11.855 1.00 0.00 C ATOM 345 C CYS A 27 -17.483 27.375 -10.839 1.00 0.00 C ATOM 346 O CYS A 27 -17.133 27.897 -9.773 1.00 0.00 O ATOM 347 CB CYS A 27 -17.451 28.619 -13.011 1.00 0.00 C ATOM 348 SG CYS A 27 -16.115 29.707 -12.526 1.00 0.00 S ATOM 0 H CYS A 27 -18.568 30.187 -11.389 1.00 0.00 H new ATOM 0 HA CYS A 27 -19.089 27.477 -12.241 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -17.031 27.747 -13.512 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -18.078 29.134 -13.739 1.00 0.00 H new ATOM 353 N GLY A 28 -17.169 26.132 -11.175 1.00 0.00 N ATOM 354 CA GLY A 28 -16.378 25.293 -10.299 1.00 0.00 C ATOM 355 C GLY A 28 -14.884 25.462 -10.518 1.00 0.00 C ATOM 356 O GLY A 28 -14.429 26.502 -11.010 1.00 0.00 O ATOM 0 H GLY A 28 -17.452 25.686 -12.048 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.618 25.529 -9.262 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.649 24.250 -10.460 1.00 0.00 H new ATOM 360 N GLU A 29 -14.122 24.440 -10.168 1.00 0.00 N ATOM 361 CA GLU A 29 -12.674 24.485 -10.292 1.00 0.00 C ATOM 362 C GLU A 29 -12.233 24.139 -11.707 1.00 0.00 C ATOM 363 O GLU A 29 -12.968 23.494 -12.462 1.00 0.00 O ATOM 364 CB GLU A 29 -12.018 23.525 -9.297 1.00 0.00 C ATOM 365 CG GLU A 29 -12.382 23.793 -7.849 1.00 0.00 C ATOM 366 CD GLU A 29 -11.697 22.842 -6.894 1.00 0.00 C ATOM 367 OE1 GLU A 29 -12.226 21.732 -6.667 1.00 0.00 O ATOM 368 OE2 GLU A 29 -10.631 23.202 -6.353 1.00 0.00 O ATOM 0 H GLU A 29 -14.484 23.563 -9.793 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.355 25.503 -10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.305 22.504 -9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.935 23.589 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.111 24.817 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.462 23.709 -7.728 1.00 0.00 H new ATOM 375 N GLY A 30 -11.036 24.573 -12.063 1.00 0.00 N ATOM 376 CA GLY A 30 -10.502 24.286 -13.374 1.00 0.00 C ATOM 377 C GLY A 30 -10.771 25.398 -14.361 1.00 0.00 C ATOM 378 O GLY A 30 -10.534 25.244 -15.553 1.00 0.00 O ATOM 0 H GLY A 30 -10.421 25.123 -11.462 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.427 24.123 -13.298 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.939 23.359 -13.747 1.00 0.00 H new ATOM 382 N CYS A 31 -11.258 26.522 -13.865 1.00 0.00 N ATOM 383 CA CYS A 31 -11.564 27.649 -14.731 1.00 0.00 C ATOM 384 C CYS A 31 -10.440 28.666 -14.750 1.00 0.00 C ATOM 385 O CYS A 31 -9.854 28.924 -15.800 1.00 0.00 O ATOM 386 CB CYS A 31 -12.865 28.328 -14.317 1.00 0.00 C ATOM 387 SG CYS A 31 -13.167 29.889 -15.178 1.00 0.00 S ATOM 0 H CYS A 31 -11.449 26.679 -12.875 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.680 27.247 -15.738 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.697 27.650 -14.508 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.844 28.512 -13.243 1.00 0.00 H new ATOM 392 N THR A 32 -10.149 29.243 -13.580 1.00 0.00 N ATOM 393 CA THR A 32 -9.126 30.284 -13.429 1.00 0.00 C ATOM 394 C THR A 32 -9.296 31.404 -14.473 1.00 0.00 C ATOM 395 O THR A 32 -8.314 31.925 -15.017 1.00 0.00 O ATOM 396 CB THR A 32 -7.677 29.702 -13.462 1.00 0.00 C ATOM 397 OG1 THR A 32 -7.405 29.051 -14.710 1.00 0.00 O ATOM 398 CG2 THR A 32 -7.485 28.704 -12.333 1.00 0.00 C ATOM 0 H THR A 32 -10.618 29.001 -12.707 1.00 0.00 H new ATOM 0 HA THR A 32 -9.274 30.721 -12.442 1.00 0.00 H new ATOM 0 HB THR A 32 -6.986 30.536 -13.342 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.491 28.698 -14.702 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.471 28.306 -12.368 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.647 29.201 -11.377 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.199 27.888 -12.444 1.00 0.00 H new ATOM 406 N CYS A 33 -10.564 31.758 -14.742 1.00 0.00 N ATOM 407 CA CYS A 33 -10.913 32.817 -15.688 1.00 0.00 C ATOM 408 C CYS A 33 -10.207 34.119 -15.325 1.00 0.00 C ATOM 409 O CYS A 33 -10.010 34.423 -14.151 1.00 0.00 O ATOM 410 CB CYS A 33 -12.432 33.046 -15.682 1.00 0.00 C ATOM 411 SG CYS A 33 -13.267 32.805 -17.276 1.00 0.00 S ATOM 0 H CYS A 33 -11.372 31.314 -14.306 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.592 32.505 -16.682 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.880 32.372 -14.952 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.627 34.062 -15.340 1.00 0.00 H new ATOM 416 N ALA A 34 -9.878 34.904 -16.330 1.00 0.00 N ATOM 417 CA ALA A 34 -9.169 36.161 -16.133 1.00 0.00 C ATOM 418 C ALA A 34 -10.155 37.278 -15.828 1.00 0.00 C ATOM 419 O ALA A 34 -9.906 38.455 -16.106 1.00 0.00 O ATOM 420 CB ALA A 34 -8.349 36.492 -17.370 1.00 0.00 C ATOM 0 H ALA A 34 -10.092 34.694 -17.305 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.493 36.060 -15.284 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.821 37.433 -17.216 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.626 35.696 -17.551 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.011 36.584 -18.231 1.00 0.00 H new ATOM 426 N ALA A 35 -11.266 36.902 -15.236 1.00 0.00 N ATOM 427 CA ALA A 35 -12.305 37.834 -14.900 1.00 0.00 C ATOM 428 C ALA A 35 -12.899 37.499 -13.553 1.00 0.00 C ATOM 429 O ALA A 35 -12.836 38.296 -12.618 1.00 0.00 O ATOM 430 CB ALA A 35 -13.385 37.824 -15.971 1.00 0.00 C ATOM 0 H ALA A 35 -11.470 35.937 -14.975 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.873 38.833 -14.848 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.168 38.535 -15.705 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.949 38.106 -16.930 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.813 36.824 -16.047 1.00 0.00 H new ATOM 436 N CYS A 36 -13.464 36.316 -13.453 1.00 0.00 N ATOM 437 CA CYS A 36 -14.111 35.889 -12.236 1.00 0.00 C ATOM 438 C CYS A 36 -13.153 35.211 -11.266 1.00 0.00 C ATOM 439 O CYS A 36 -13.209 35.446 -10.059 1.00 0.00 O ATOM 440 CB CYS A 36 -15.242 34.940 -12.569 1.00 0.00 C ATOM 441 SG CYS A 36 -14.759 33.504 -13.567 1.00 0.00 S ATOM 0 H CYS A 36 -13.487 35.629 -14.207 1.00 0.00 H new ATOM 0 HA CYS A 36 -14.492 36.784 -11.744 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -15.686 34.586 -11.639 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -16.016 35.492 -13.102 1.00 0.00 H new ATOM 446 N LYS A 37 -12.265 34.394 -11.788 1.00 0.00 N ATOM 447 CA LYS A 37 -11.416 33.590 -10.939 1.00 0.00 C ATOM 448 C LYS A 37 -9.946 33.951 -11.107 1.00 0.00 C ATOM 449 O LYS A 37 -9.103 33.093 -11.368 1.00 0.00 O ATOM 450 CB LYS A 37 -11.675 32.111 -11.235 1.00 0.00 C ATOM 451 CG LYS A 37 -11.341 31.166 -10.089 1.00 0.00 C ATOM 452 CD LYS A 37 -12.190 29.897 -10.157 1.00 0.00 C ATOM 453 CE LYS A 37 -13.668 30.208 -9.917 1.00 0.00 C ATOM 454 NZ LYS A 37 -14.518 28.993 -9.921 1.00 0.00 N ATOM 0 H LYS A 37 -12.113 34.270 -12.789 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.660 33.792 -9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.725 31.985 -11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.091 31.821 -12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.284 30.903 -10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.510 31.670 -9.137 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.068 29.427 -11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.840 29.182 -9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.777 30.719 -8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.020 30.895 -10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.330 29.140 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.961 28.181 -10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.860 28.805 -8.957 1.00 0.00 H new ATOM 468 N THR A 38 -9.649 35.223 -10.943 1.00 0.00 N ATOM 469 CA THR A 38 -8.290 35.712 -11.040 1.00 0.00 C ATOM 470 C THR A 38 -7.890 36.395 -9.728 1.00 0.00 C ATOM 471 O THR A 38 -8.689 36.465 -8.790 1.00 0.00 O ATOM 472 CB THR A 38 -8.122 36.692 -12.235 1.00 0.00 C ATOM 473 OG1 THR A 38 -6.739 37.038 -12.402 1.00 0.00 O ATOM 474 CG2 THR A 38 -8.946 37.960 -12.028 1.00 0.00 C ATOM 0 H THR A 38 -10.340 35.945 -10.739 1.00 0.00 H new ATOM 0 HA THR A 38 -7.633 34.861 -11.218 1.00 0.00 H new ATOM 0 HB THR A 38 -8.482 36.189 -13.133 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.645 37.654 -13.158 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.809 38.626 -12.880 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.000 37.698 -11.939 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.618 38.462 -11.118 1.00 0.00 H new ATOM 482 N CYS A 39 -6.670 36.882 -9.656 1.00 0.00 N ATOM 483 CA CYS A 39 -6.188 37.518 -8.449 1.00 0.00 C ATOM 484 C CYS A 39 -6.400 39.021 -8.502 1.00 0.00 C ATOM 485 O CYS A 39 -6.518 39.612 -9.578 1.00 0.00 O ATOM 486 CB CYS A 39 -4.713 37.195 -8.208 1.00 0.00 C ATOM 487 SG CYS A 39 -4.091 37.737 -6.594 1.00 0.00 S ATOM 0 H CYS A 39 -5.994 36.850 -10.419 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.765 37.120 -7.614 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.568 36.118 -8.298 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.117 37.663 -8.991 1.00 0.00 H new ATOM 492 N ASN A 40 -6.451 39.632 -7.336 1.00 0.00 N ATOM 493 CA ASN A 40 -6.656 41.059 -7.229 1.00 0.00 C ATOM 494 C ASN A 40 -5.456 41.720 -6.581 1.00 0.00 C ATOM 495 O ASN A 40 -5.426 42.936 -6.397 1.00 0.00 O ATOM 496 CB ASN A 40 -7.929 41.355 -6.435 1.00 0.00 C ATOM 497 CG ASN A 40 -9.197 41.080 -7.231 1.00 0.00 C ATOM 498 OD1 ASN A 40 -9.747 41.971 -7.862 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.656 39.844 -7.225 1.00 0.00 N ATOM 0 H ASN A 40 -6.352 39.154 -6.440 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.772 41.470 -8.232 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.936 40.749 -5.529 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.922 42.399 -6.121 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.493 39.608 -7.757 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.174 39.123 -6.688 1.00 0.00 H new ATOM 506 N CYS A 41 -4.466 40.918 -6.241 1.00 0.00 N ATOM 507 CA CYS A 41 -3.259 41.425 -5.629 1.00 0.00 C ATOM 508 C CYS A 41 -2.334 41.994 -6.691 1.00 0.00 C ATOM 509 O CYS A 41 -2.337 41.539 -7.843 1.00 0.00 O ATOM 510 CB CYS A 41 -2.558 40.317 -4.850 1.00 0.00 C ATOM 511 SG CYS A 41 -3.576 39.576 -3.555 1.00 0.00 S ATOM 0 H CYS A 41 -4.477 39.908 -6.380 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.524 42.222 -4.935 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.248 39.537 -5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.651 40.721 -4.399 1.00 0.00 H new ATOM 516 N THR A 42 -1.561 42.987 -6.319 1.00 0.00 N ATOM 517 CA THR A 42 -0.657 43.623 -7.244 1.00 0.00 C ATOM 518 C THR A 42 0.778 43.468 -6.771 1.00 0.00 C ATOM 519 O THR A 42 1.021 43.052 -5.636 1.00 0.00 O ATOM 520 CB THR A 42 -0.991 45.119 -7.389 1.00 0.00 C ATOM 521 OG1 THR A 42 -0.935 45.753 -6.102 1.00 0.00 O ATOM 522 CG2 THR A 42 -2.381 45.302 -7.983 1.00 0.00 C ATOM 0 H THR A 42 -1.541 43.373 -5.375 1.00 0.00 H new ATOM 0 HA THR A 42 -0.771 43.139 -8.214 1.00 0.00 H new ATOM 0 HB THR A 42 -0.260 45.575 -8.057 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.146 46.705 -6.197 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.599 46.366 -8.078 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.421 44.834 -8.967 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.120 44.837 -7.330 1.00 0.00 H new ATOM 530 N SER A 43 1.724 43.797 -7.638 1.00 0.00 N ATOM 531 CA SER A 43 3.138 43.720 -7.306 1.00 0.00 C ATOM 532 C SER A 43 3.482 44.734 -6.216 1.00 0.00 C ATOM 533 O SER A 43 4.432 44.552 -5.450 1.00 0.00 O ATOM 534 CB SER A 43 3.971 43.993 -8.556 1.00 0.00 C ATOM 535 OG SER A 43 3.538 43.180 -9.636 1.00 0.00 O ATOM 0 H SER A 43 1.535 44.123 -8.586 1.00 0.00 H new ATOM 0 HA SER A 43 3.363 42.721 -6.934 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.889 45.045 -8.831 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.023 43.799 -8.347 1.00 0.00 H new ATOM 0 HG SER A 43 4.083 43.371 -10.428 1.00 0.00 H new ATOM 541 N ASP A 44 2.688 45.793 -6.151 1.00 0.00 N ATOM 542 CA ASP A 44 2.883 46.851 -5.175 1.00 0.00 C ATOM 543 C ASP A 44 2.498 46.394 -3.780 1.00 0.00 C ATOM 544 O ASP A 44 3.135 46.772 -2.796 1.00 0.00 O ATOM 545 CB ASP A 44 2.065 48.083 -5.559 1.00 0.00 C ATOM 546 CG ASP A 44 2.139 49.184 -4.523 1.00 0.00 C ATOM 547 OD1 ASP A 44 3.192 49.832 -4.415 1.00 0.00 O ATOM 548 OD2 ASP A 44 1.125 49.430 -3.829 1.00 0.00 O ATOM 0 H ASP A 44 1.893 45.941 -6.772 1.00 0.00 H new ATOM 0 HA ASP A 44 3.942 47.107 -5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.421 48.466 -6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.024 47.793 -5.700 1.00 0.00 H new ATOM 553 N GLY A 45 1.463 45.580 -3.694 1.00 0.00 N ATOM 554 CA GLY A 45 1.012 45.120 -2.414 1.00 0.00 C ATOM 555 C GLY A 45 0.046 43.968 -2.516 1.00 0.00 C ATOM 556 O GLY A 45 -0.867 43.972 -3.349 1.00 0.00 O ATOM 0 H GLY A 45 0.930 45.232 -4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.873 44.815 -1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.534 45.944 -1.885 1.00 0.00 H new ATOM 560 N CYS A 46 0.253 42.975 -1.683 1.00 0.00 N ATOM 561 CA CYS A 46 -0.618 41.827 -1.632 1.00 0.00 C ATOM 562 C CYS A 46 -1.884 42.210 -0.870 1.00 0.00 C ATOM 563 O CYS A 46 -1.810 42.687 0.265 1.00 0.00 O ATOM 564 CB CYS A 46 0.097 40.664 -0.941 1.00 0.00 C ATOM 565 SG CYS A 46 -0.565 39.033 -1.337 1.00 0.00 S ATOM 0 H CYS A 46 1.030 42.941 -1.023 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.885 41.511 -2.641 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.152 40.690 -1.214 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.043 40.811 0.138 1.00 0.00 H new ATOM 570 N LYS A 47 -3.034 42.019 -1.490 1.00 0.00 N ATOM 571 CA LYS A 47 -4.296 42.431 -0.884 1.00 0.00 C ATOM 572 C LYS A 47 -4.845 41.387 0.072 1.00 0.00 C ATOM 573 O LYS A 47 -5.537 41.721 1.030 1.00 0.00 O ATOM 574 CB LYS A 47 -5.341 42.776 -1.951 1.00 0.00 C ATOM 575 CG LYS A 47 -5.004 44.014 -2.769 1.00 0.00 C ATOM 576 CD LYS A 47 -6.192 44.462 -3.608 1.00 0.00 C ATOM 577 CE LYS A 47 -5.879 45.734 -4.384 1.00 0.00 C ATOM 578 NZ LYS A 47 -7.056 46.220 -5.149 1.00 0.00 N ATOM 0 H LYS A 47 -3.125 41.584 -2.408 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.081 43.328 -0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.451 41.927 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.306 42.925 -1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.701 44.822 -2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.155 43.803 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.468 43.669 -4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.052 44.632 -2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.550 46.510 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.052 45.547 -5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.802 47.087 -5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.355 45.490 -5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.837 46.423 -4.493 1.00 0.00 H new ATOM 592 N CYS A 48 -4.548 40.131 -0.177 1.00 0.00 N ATOM 593 CA CYS A 48 -5.041 39.080 0.690 1.00 0.00 C ATOM 594 C CYS A 48 -4.047 38.815 1.818 1.00 0.00 C ATOM 595 O CYS A 48 -4.435 38.592 2.965 1.00 0.00 O ATOM 596 CB CYS A 48 -5.298 37.808 -0.105 1.00 0.00 C ATOM 597 SG CYS A 48 -3.804 37.007 -0.687 1.00 0.00 S ATOM 0 H CYS A 48 -3.976 39.814 -0.960 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.984 39.406 1.128 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.856 37.108 0.517 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.929 38.047 -0.961 1.00 0.00 H new ATOM 602 N GLY A 49 -2.765 38.840 1.483 1.00 0.00 N ATOM 603 CA GLY A 49 -1.736 38.633 2.473 1.00 0.00 C ATOM 604 C GLY A 49 -1.018 37.307 2.305 1.00 0.00 C ATOM 605 O GLY A 49 -0.108 36.986 3.072 1.00 0.00 O ATOM 0 H GLY A 49 -2.421 39.001 0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.011 39.444 2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.180 38.677 3.467 1.00 0.00 H new ATOM 609 N LYS A 50 -1.415 36.536 1.293 1.00 0.00 N ATOM 610 CA LYS A 50 -0.787 35.237 1.023 1.00 0.00 C ATOM 611 C LYS A 50 0.516 35.432 0.242 1.00 0.00 C ATOM 612 O LYS A 50 1.205 34.467 -0.109 1.00 0.00 O ATOM 613 CB LYS A 50 -1.749 34.327 0.252 1.00 0.00 C ATOM 614 CG LYS A 50 -3.134 34.215 0.887 1.00 0.00 C ATOM 615 CD LYS A 50 -3.080 33.586 2.268 1.00 0.00 C ATOM 616 CE LYS A 50 -4.406 33.739 3.002 1.00 0.00 C ATOM 617 NZ LYS A 50 -5.544 33.159 2.244 1.00 0.00 N ATOM 0 H LYS A 50 -2.165 36.784 0.648 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.552 34.757 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.855 34.705 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.312 33.331 0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.581 35.207 0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.781 33.619 0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.832 32.528 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.285 34.051 2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.337 33.254 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.597 34.796 3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.324 32.946 2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.868 33.841 1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.238 32.284 1.773 1.00 0.00 H new ATOM 631 N GLU A 51 0.813 36.702 -0.036 1.00 0.00 N ATOM 632 CA GLU A 51 2.042 37.134 -0.699 1.00 0.00 C ATOM 633 C GLU A 51 2.140 36.605 -2.138 1.00 0.00 C ATOM 634 O GLU A 51 3.221 36.278 -2.625 1.00 0.00 O ATOM 635 CB GLU A 51 3.272 36.754 0.144 1.00 0.00 C ATOM 636 CG GLU A 51 4.528 37.546 -0.202 1.00 0.00 C ATOM 637 CD GLU A 51 5.544 37.539 0.917 1.00 0.00 C ATOM 638 OE1 GLU A 51 5.535 38.487 1.736 1.00 0.00 O ATOM 639 OE2 GLU A 51 6.355 36.593 0.992 1.00 0.00 O ATOM 0 H GLU A 51 0.191 37.476 0.199 1.00 0.00 H new ATOM 0 HA GLU A 51 2.015 38.221 -0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.038 36.905 1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.477 35.692 0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.980 37.129 -1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.253 38.575 -0.432 1.00 0.00 H new ATOM 646 N CYS A 52 1.004 36.545 -2.819 1.00 0.00 N ATOM 647 CA CYS A 52 0.978 36.138 -4.215 1.00 0.00 C ATOM 648 C CYS A 52 1.347 37.313 -5.109 1.00 0.00 C ATOM 649 O CYS A 52 2.178 37.185 -6.015 1.00 0.00 O ATOM 650 CB CYS A 52 -0.395 35.588 -4.588 1.00 0.00 C ATOM 651 SG CYS A 52 -1.774 36.314 -3.668 1.00 0.00 S ATOM 0 H CYS A 52 0.090 36.773 -2.427 1.00 0.00 H new ATOM 0 HA CYS A 52 1.712 35.345 -4.362 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.560 35.751 -5.653 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.396 34.510 -4.427 1.00 0.00 H new ATOM 656 N THR A 53 0.730 38.463 -4.827 1.00 0.00 N ATOM 657 CA THR A 53 0.989 39.732 -5.532 1.00 0.00 C ATOM 658 C THR A 53 0.866 39.621 -7.055 1.00 0.00 C ATOM 659 O THR A 53 1.588 40.294 -7.797 1.00 0.00 O ATOM 660 CB THR A 53 2.367 40.342 -5.149 1.00 0.00 C ATOM 661 OG1 THR A 53 3.430 39.405 -5.382 1.00 0.00 O ATOM 662 CG2 THR A 53 2.374 40.748 -3.689 1.00 0.00 C ATOM 0 H THR A 53 0.026 38.546 -4.094 1.00 0.00 H new ATOM 0 HA THR A 53 0.202 40.407 -5.195 1.00 0.00 H new ATOM 0 HB THR A 53 2.527 41.219 -5.776 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.117 38.699 -5.985 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.345 41.173 -3.434 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.595 41.490 -3.514 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.187 39.873 -3.067 1.00 0.00 H new ATOM 670 N GLY A 54 -0.052 38.793 -7.517 1.00 0.00 N ATOM 671 CA GLY A 54 -0.257 38.656 -8.921 1.00 0.00 C ATOM 672 C GLY A 54 -1.092 37.446 -9.245 1.00 0.00 C ATOM 673 O GLY A 54 -1.216 36.553 -8.419 1.00 0.00 O ATOM 0 H GLY A 54 -0.657 38.215 -6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.747 39.550 -9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.707 38.579 -9.424 1.00 0.00 H new ATOM 677 N PRO A 55 -1.680 37.383 -10.447 1.00 0.00 N ATOM 678 CA PRO A 55 -2.544 36.275 -10.845 1.00 0.00 C ATOM 679 C PRO A 55 -1.764 35.017 -11.185 1.00 0.00 C ATOM 680 O PRO A 55 -2.121 33.918 -10.755 1.00 0.00 O ATOM 681 CB PRO A 55 -3.273 36.792 -12.092 1.00 0.00 C ATOM 682 CG PRO A 55 -2.791 38.197 -12.315 1.00 0.00 C ATOM 683 CD PRO A 55 -1.543 38.379 -11.507 1.00 0.00 C ATOM 0 HA PRO A 55 -3.213 35.991 -10.033 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.055 36.165 -12.957 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.353 36.771 -11.947 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.592 38.371 -13.372 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.552 38.916 -12.012 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.648 38.209 -12.105 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.469 39.389 -11.103 1.00 0.00 H new ATOM 691 N ASP A 56 -0.690 35.177 -11.936 1.00 0.00 N ATOM 692 CA ASP A 56 0.116 34.029 -12.358 1.00 0.00 C ATOM 693 C ASP A 56 0.994 33.549 -11.221 1.00 0.00 C ATOM 694 O ASP A 56 1.525 32.438 -11.251 1.00 0.00 O ATOM 695 CB ASP A 56 0.964 34.352 -13.598 1.00 0.00 C ATOM 696 CG ASP A 56 1.990 35.441 -13.368 1.00 0.00 C ATOM 697 OD1 ASP A 56 1.614 36.630 -13.415 1.00 0.00 O ATOM 698 OD2 ASP A 56 3.177 35.120 -13.152 1.00 0.00 O ATOM 0 H ASP A 56 -0.351 36.080 -12.268 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.571 33.229 -12.632 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.476 33.446 -13.923 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.303 34.654 -14.410 1.00 0.00 H new ATOM 703 N SER A 57 1.141 34.392 -10.229 1.00 0.00 N ATOM 704 CA SER A 57 1.903 34.064 -9.040 1.00 0.00 C ATOM 705 C SER A 57 0.967 33.816 -7.856 1.00 0.00 C ATOM 706 O SER A 57 1.402 33.751 -6.705 1.00 0.00 O ATOM 707 CB SER A 57 2.872 35.197 -8.720 1.00 0.00 C ATOM 708 OG SER A 57 3.729 35.453 -9.822 1.00 0.00 O ATOM 0 H SER A 57 0.736 35.328 -10.219 1.00 0.00 H new ATOM 0 HA SER A 57 2.470 33.152 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.314 36.099 -8.470 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.466 34.937 -7.844 1.00 0.00 H new ATOM 0 HG SER A 57 4.342 36.184 -9.597 1.00 0.00 H new ATOM 714 N CYS A 58 -0.319 33.671 -8.150 1.00 0.00 N ATOM 715 CA CYS A 58 -1.312 33.447 -7.123 1.00 0.00 C ATOM 716 C CYS A 58 -1.432 31.974 -6.814 1.00 0.00 C ATOM 717 O CYS A 58 -1.474 31.137 -7.718 1.00 0.00 O ATOM 718 CB CYS A 58 -2.669 34.011 -7.538 1.00 0.00 C ATOM 719 SG CYS A 58 -3.922 33.948 -6.238 1.00 0.00 S ATOM 0 H CYS A 58 -0.694 33.706 -9.098 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.986 33.969 -6.223 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.539 35.046 -7.853 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.031 33.457 -8.404 1.00 0.00 H new ATOM 724 N LYS A 59 -1.486 31.664 -5.541 1.00 0.00 N ATOM 725 CA LYS A 59 -1.572 30.295 -5.079 1.00 0.00 C ATOM 726 C LYS A 59 -2.954 30.025 -4.503 1.00 0.00 C ATOM 727 O LYS A 59 -3.305 28.883 -4.194 1.00 0.00 O ATOM 728 CB LYS A 59 -0.507 30.072 -4.013 1.00 0.00 C ATOM 729 CG LYS A 59 0.871 30.555 -4.445 1.00 0.00 C ATOM 730 CD LYS A 59 1.818 30.715 -3.270 1.00 0.00 C ATOM 731 CE LYS A 59 1.337 31.795 -2.301 1.00 0.00 C ATOM 732 NZ LYS A 59 2.300 32.030 -1.198 1.00 0.00 N ATOM 0 H LYS A 59 -1.472 32.355 -4.791 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.408 29.612 -5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.799 30.591 -3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.456 29.010 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.295 29.847 -5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.774 31.509 -4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.907 29.766 -2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.812 30.971 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.179 32.725 -2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.374 31.502 -1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.038 32.897 -0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.281 31.223 -0.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.258 32.135 -1.590 1.00 0.00 H new ATOM 746 N CYS A 60 -3.735 31.085 -4.379 1.00 0.00 N ATOM 747 CA CYS A 60 -5.065 31.009 -3.805 1.00 0.00 C ATOM 748 C CYS A 60 -6.067 30.432 -4.807 1.00 0.00 C ATOM 749 O CYS A 60 -5.850 30.486 -6.024 1.00 0.00 O ATOM 750 CB CYS A 60 -5.499 32.399 -3.350 1.00 0.00 C ATOM 751 SG CYS A 60 -4.279 33.230 -2.298 1.00 0.00 S ATOM 0 H CYS A 60 -3.463 32.023 -4.674 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.039 30.339 -2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.691 33.016 -4.228 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.440 32.317 -2.806 1.00 0.00 H new ATOM 756 N GLY A 61 -7.163 29.886 -4.292 1.00 0.00 N ATOM 757 CA GLY A 61 -8.163 29.273 -5.145 1.00 0.00 C ATOM 758 C GLY A 61 -9.246 30.239 -5.594 1.00 0.00 C ATOM 759 O GLY A 61 -9.156 30.824 -6.676 1.00 0.00 O ATOM 0 H GLY A 61 -7.377 29.857 -3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.673 28.854 -6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.625 28.443 -4.612 1.00 0.00 H new ATOM 763 N SER A 62 -10.267 30.411 -4.765 1.00 0.00 N ATOM 764 CA SER A 62 -11.390 31.275 -5.110 1.00 0.00 C ATOM 765 C SER A 62 -11.987 31.957 -3.874 1.00 0.00 C ATOM 766 O SER A 62 -12.497 33.073 -3.957 1.00 0.00 O ATOM 767 CB SER A 62 -12.469 30.459 -5.824 1.00 0.00 C ATOM 768 OG SER A 62 -12.859 29.345 -5.036 1.00 0.00 O ATOM 0 H SER A 62 -10.342 29.965 -3.851 1.00 0.00 H new ATOM 0 HA SER A 62 -11.017 32.057 -5.772 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.335 31.089 -6.025 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.094 30.115 -6.788 1.00 0.00 H new ATOM 0 HG SER A 62 -13.551 28.836 -5.508 1.00 0.00 H new ATOM 774 N SER A 63 -11.904 31.298 -2.733 1.00 0.00 N ATOM 775 CA SER A 63 -12.481 31.824 -1.508 1.00 0.00 C ATOM 776 C SER A 63 -11.460 32.643 -0.708 1.00 0.00 C ATOM 777 O SER A 63 -11.318 32.474 0.506 1.00 0.00 O ATOM 778 CB SER A 63 -13.034 30.675 -0.666 1.00 0.00 C ATOM 779 OG SER A 63 -13.983 29.918 -1.411 1.00 0.00 O ATOM 0 H SER A 63 -11.441 30.395 -2.628 1.00 0.00 H new ATOM 0 HA SER A 63 -13.295 32.498 -1.774 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.218 30.028 -0.343 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.503 31.070 0.235 1.00 0.00 H new ATOM 0 HG SER A 63 -14.325 29.186 -0.857 1.00 0.00 H new ATOM 785 N CYS A 64 -10.759 33.529 -1.390 1.00 0.00 N ATOM 786 CA CYS A 64 -9.797 34.390 -0.744 1.00 0.00 C ATOM 787 C CYS A 64 -10.127 35.849 -1.042 1.00 0.00 C ATOM 788 O CYS A 64 -10.900 36.141 -1.957 1.00 0.00 O ATOM 789 CB CYS A 64 -8.383 34.055 -1.211 1.00 0.00 C ATOM 790 SG CYS A 64 -7.071 34.807 -0.211 1.00 0.00 S ATOM 0 H CYS A 64 -10.841 33.669 -2.397 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.847 34.230 0.333 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.256 32.972 -1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.268 34.380 -2.245 1.00 0.00 H new ATOM 795 N SER A 65 -9.529 36.753 -0.286 1.00 0.00 N ATOM 796 CA SER A 65 -9.785 38.177 -0.430 1.00 0.00 C ATOM 797 C SER A 65 -9.280 38.716 -1.776 1.00 0.00 C ATOM 798 O SER A 65 -9.719 39.766 -2.235 1.00 0.00 O ATOM 799 CB SER A 65 -9.124 38.932 0.718 1.00 0.00 C ATOM 800 OG SER A 65 -9.430 38.318 1.962 1.00 0.00 O ATOM 0 H SER A 65 -8.854 36.523 0.443 1.00 0.00 H new ATOM 0 HA SER A 65 -10.864 38.330 -0.402 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.044 38.953 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.465 39.967 0.724 1.00 0.00 H new ATOM 0 HG SER A 65 -8.996 38.814 2.687 1.00 0.00 H new ATOM 806 N CYS A 66 -8.370 37.990 -2.412 1.00 0.00 N ATOM 807 CA CYS A 66 -7.821 38.423 -3.687 1.00 0.00 C ATOM 808 C CYS A 66 -8.594 37.813 -4.851 1.00 0.00 C ATOM 809 O CYS A 66 -8.086 37.725 -5.967 1.00 0.00 O ATOM 810 CB CYS A 66 -6.344 38.045 -3.783 1.00 0.00 C ATOM 811 SG CYS A 66 -6.009 36.273 -3.670 1.00 0.00 S ATOM 0 H CYS A 66 -7.999 37.104 -2.068 1.00 0.00 H new ATOM 0 HA CYS A 66 -7.915 39.507 -3.745 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.949 38.416 -4.729 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.800 38.555 -2.988 1.00 0.00 H new ATOM 816 N LYS A 67 -9.821 37.409 -4.596 1.00 0.00 N ATOM 817 CA LYS A 67 -10.657 36.787 -5.617 1.00 0.00 C ATOM 818 C LYS A 67 -11.991 37.510 -5.730 1.00 0.00 C ATOM 819 O LYS A 67 -12.707 37.568 -4.693 1.00 0.00 O ATOM 820 CB LYS A 67 -10.876 35.312 -5.282 1.00 0.00 C ATOM 821 CG LYS A 67 -9.591 34.502 -5.227 1.00 0.00 C ATOM 822 CD LYS A 67 -9.032 34.258 -6.618 1.00 0.00 C ATOM 823 CE LYS A 67 -7.589 33.794 -6.563 1.00 0.00 C ATOM 824 NZ LYS A 67 -6.683 34.876 -6.109 1.00 0.00 N ATOM 0 H LYS A 67 -10.270 37.499 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.148 36.859 -6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.383 35.238 -4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.540 34.874 -6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.852 35.029 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.781 33.547 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.637 33.509 -7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.099 35.175 -7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.506 32.942 -5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.279 33.450 -7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.771 34.795 -6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.111 35.800 -6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.530 34.794 -5.084 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 ZN ZN A 101 -15.424 29.660 -15.011 1.00 0.00 ZN HETATM 840 ZN ZN A 102 -15.186 33.158 -16.019 1.00 0.00 ZN HETATM 841 ZN ZN A 103 -16.288 32.185 -12.261 1.00 0.00 ZN HETATM 842 ZN ZN A 104 -3.925 36.062 -5.014 1.00 0.00 ZN HETATM 843 ZN ZN A 105 -5.298 35.336 -1.710 1.00 0.00 ZN HETATM 844 ZN ZN A 106 -2.414 37.969 -2.262 1.00 0.00 ZN