USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 602 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 68 GLN : amide:sc= 0.431 K(o=-1.5,f=-2.8) USER MOD Set 1.2: A 71 SER OG : rot 163:sc= -1.93! USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= -0.143 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 27 ASN :FLIP amide:sc= -0.288 F(o=-1.5,f=-0.43) USER MOD Single : A 1 GLY N :NH3+ 174:sc= -0.0727 (180deg=-0.162) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0454 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0881) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.249 F(o=-1.6,f=-0.25) USER MOD Single : A 18 THR OG1 : rot 47:sc= 0.175 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.9) USER MOD Single : A 36 SER OG : rot 94:sc= 0.299 USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= -0.0796 (180deg=-0.522) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0803 USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= 0.353 (180deg=0.0686) USER MOD Single : A 49 GLN : amide:sc= -0.687 K(o=-0.69,f=-4.6!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.046 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00475 USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= -0.0546 (180deg=-0.336) USER MOD Single : A 69 SER OG : rot 99:sc= 0.0542 USER MOD Single : A 72 THR OG1 : rot -75:sc= -0.242 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.121 USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= 0.968 (180deg=0.619) USER MOD Single : A 85 LYS NZ :NH3+ 137:sc= -0.617 (180deg=-1.1) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= -0.0431 (180deg=-0.249) USER MOD Single : A 98 SER OG : rot 64:sc= 1.23 USER MOD Single : A 100 SER OG : rot -24:sc= 0.193 USER MOD Single : A 102 LYS NZ :NH3+ 129:sc= 1.21 (180deg=0.384) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.163 0.514 -7.859 1.00 0.00 N ATOM 2 CA GLY A 1 -1.491 1.166 -7.676 1.00 0.00 C ATOM 3 C GLY A 1 -2.476 0.776 -8.761 1.00 0.00 C ATOM 4 O GLY A 1 -3.514 1.416 -8.929 1.00 0.00 O ATOM 0 H1 GLY A 1 0.507 0.887 -7.156 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.261 -0.514 -7.733 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.193 0.714 -8.816 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.898 0.891 -6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.365 2.249 -7.674 1.00 0.00 H new ATOM 7 N SER A 2 -2.146 -0.268 -9.501 1.00 0.00 N ATOM 8 CA SER A 2 -2.999 -0.747 -10.566 1.00 0.00 C ATOM 9 C SER A 2 -2.780 -2.239 -10.775 1.00 0.00 C ATOM 10 O SER A 2 -1.663 -2.676 -11.057 1.00 0.00 O ATOM 11 CB SER A 2 -2.706 0.024 -11.864 1.00 0.00 C ATOM 12 OG SER A 2 -3.598 -0.349 -12.903 1.00 0.00 O ATOM 0 H SER A 2 -1.285 -0.802 -9.379 1.00 0.00 H new ATOM 0 HA SER A 2 -4.040 -0.581 -10.290 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.789 1.095 -11.679 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.680 -0.167 -12.178 1.00 0.00 H new ATOM 0 HG SER A 2 -3.387 0.160 -13.714 1.00 0.00 H new ATOM 18 N MET A 3 -3.837 -3.019 -10.623 1.00 0.00 N ATOM 19 CA MET A 3 -3.746 -4.457 -10.804 1.00 0.00 C ATOM 20 C MET A 3 -3.618 -4.794 -12.279 1.00 0.00 C ATOM 21 O MET A 3 -4.514 -4.502 -13.078 1.00 0.00 O ATOM 22 CB MET A 3 -4.958 -5.167 -10.191 1.00 0.00 C ATOM 23 CG MET A 3 -5.085 -4.974 -8.686 1.00 0.00 C ATOM 24 SD MET A 3 -6.434 -5.928 -7.967 1.00 0.00 S ATOM 25 CE MET A 3 -6.298 -5.458 -6.242 1.00 0.00 C ATOM 0 H MET A 3 -4.767 -2.681 -10.375 1.00 0.00 H new ATOM 0 HA MET A 3 -2.854 -4.811 -10.286 1.00 0.00 H new ATOM 0 HB2 MET A 3 -5.864 -4.801 -10.673 1.00 0.00 H new ATOM 0 HB3 MET A 3 -4.891 -6.233 -10.407 1.00 0.00 H new ATOM 0 HG2 MET A 3 -4.149 -5.261 -8.208 1.00 0.00 H new ATOM 0 HG3 MET A 3 -5.241 -3.917 -8.472 1.00 0.00 H new ATOM 0 HE1 MET A 3 -7.069 -5.968 -5.664 1.00 0.00 H new ATOM 0 HE2 MET A 3 -5.315 -5.740 -5.865 1.00 0.00 H new ATOM 0 HE3 MET A 3 -6.428 -4.380 -6.147 1.00 0.00 H new ATOM 35 N SER A 4 -2.500 -5.387 -12.639 1.00 0.00 N ATOM 36 CA SER A 4 -2.231 -5.746 -14.010 1.00 0.00 C ATOM 37 C SER A 4 -2.937 -7.046 -14.394 1.00 0.00 C ATOM 38 O SER A 4 -2.749 -8.082 -13.753 1.00 0.00 O ATOM 39 CB SER A 4 -0.720 -5.859 -14.222 1.00 0.00 C ATOM 40 OG SER A 4 -0.104 -6.550 -13.141 1.00 0.00 O ATOM 0 H SER A 4 -1.754 -5.633 -11.988 1.00 0.00 H new ATOM 0 HA SER A 4 -2.624 -4.964 -14.659 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.518 -6.384 -15.156 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.287 -4.863 -14.316 1.00 0.00 H new ATOM 0 HG SER A 4 0.861 -6.611 -13.300 1.00 0.00 H new ATOM 46 N SER A 5 -3.754 -6.981 -15.426 1.00 0.00 N ATOM 47 CA SER A 5 -4.486 -8.138 -15.894 1.00 0.00 C ATOM 48 C SER A 5 -4.072 -8.488 -17.316 1.00 0.00 C ATOM 49 O SER A 5 -4.200 -7.672 -18.230 1.00 0.00 O ATOM 50 CB SER A 5 -5.988 -7.864 -15.832 1.00 0.00 C ATOM 51 OG SER A 5 -6.381 -7.496 -14.519 1.00 0.00 O ATOM 0 H SER A 5 -3.928 -6.130 -15.960 1.00 0.00 H new ATOM 0 HA SER A 5 -4.254 -8.985 -15.249 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.246 -7.067 -16.530 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.537 -8.752 -16.145 1.00 0.00 H new ATOM 0 HG SER A 5 -7.346 -7.324 -14.502 1.00 0.00 H new ATOM 57 N VAL A 6 -3.574 -9.695 -17.502 1.00 0.00 N ATOM 58 CA VAL A 6 -3.144 -10.142 -18.812 1.00 0.00 C ATOM 59 C VAL A 6 -4.296 -10.783 -19.570 1.00 0.00 C ATOM 60 O VAL A 6 -5.393 -10.930 -19.024 1.00 0.00 O ATOM 61 CB VAL A 6 -1.953 -11.121 -18.734 1.00 0.00 C ATOM 62 CG1 VAL A 6 -0.729 -10.424 -18.163 1.00 0.00 C ATOM 63 CG2 VAL A 6 -2.307 -12.350 -17.911 1.00 0.00 C ATOM 0 H VAL A 6 -3.457 -10.385 -16.760 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.809 -9.257 -19.352 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.721 -11.453 -19.746 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.101 -11.128 -18.115 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.456 -9.585 -18.803 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.953 -10.058 -17.161 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.450 -13.022 -17.873 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.574 -12.046 -16.899 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.151 -12.865 -18.370 1.00 0.00 H new ATOM 73 N PHE A 7 -4.035 -11.169 -20.825 1.00 0.00 N ATOM 74 CA PHE A 7 -5.052 -11.745 -21.708 1.00 0.00 C ATOM 75 C PHE A 7 -6.318 -10.888 -21.698 1.00 0.00 C ATOM 76 O PHE A 7 -7.386 -11.323 -21.276 1.00 0.00 O ATOM 77 CB PHE A 7 -5.360 -13.202 -21.324 1.00 0.00 C ATOM 78 CG PHE A 7 -6.346 -13.882 -22.246 1.00 0.00 C ATOM 79 CD1 PHE A 7 -6.078 -14.006 -23.601 1.00 0.00 C ATOM 80 CD2 PHE A 7 -7.538 -14.393 -21.757 1.00 0.00 C ATOM 81 CE1 PHE A 7 -6.977 -14.623 -24.446 1.00 0.00 C ATOM 82 CE2 PHE A 7 -8.441 -15.010 -22.598 1.00 0.00 C ATOM 83 CZ PHE A 7 -8.161 -15.126 -23.945 1.00 0.00 C ATOM 0 H PHE A 7 -3.113 -11.090 -21.255 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.657 -11.753 -22.724 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.430 -13.771 -21.319 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.753 -13.224 -20.307 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.154 -13.615 -24.000 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.763 -14.307 -20.704 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -6.755 -14.713 -25.499 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.366 -15.402 -22.203 1.00 0.00 H new ATOM 0 HZ PHE A 7 -8.866 -15.609 -24.605 1.00 0.00 H new ATOM 93 N GLY A 8 -6.179 -9.664 -22.136 1.00 0.00 N ATOM 94 CA GLY A 8 -7.294 -8.770 -22.136 1.00 0.00 C ATOM 95 C GLY A 8 -6.872 -7.327 -22.205 1.00 0.00 C ATOM 96 O GLY A 8 -6.566 -6.810 -23.275 1.00 0.00 O ATOM 0 H GLY A 8 -5.309 -9.271 -22.494 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.939 -8.998 -22.984 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.885 -8.930 -21.234 1.00 0.00 H new ATOM 100 N ALA A 9 -6.800 -6.698 -21.053 1.00 0.00 N ATOM 101 CA ALA A 9 -6.485 -5.278 -20.960 1.00 0.00 C ATOM 102 C ALA A 9 -5.014 -5.048 -20.639 1.00 0.00 C ATOM 103 O ALA A 9 -4.613 -3.937 -20.288 1.00 0.00 O ATOM 104 CB ALA A 9 -7.367 -4.616 -19.911 1.00 0.00 C ATOM 0 H ALA A 9 -6.957 -7.150 -20.152 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.683 -4.827 -21.932 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.124 -3.555 -19.849 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.414 -4.733 -20.190 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.195 -5.085 -18.942 1.00 0.00 H new ATOM 110 N GLY A 10 -4.211 -6.092 -20.774 1.00 0.00 N ATOM 111 CA GLY A 10 -2.788 -5.977 -20.508 1.00 0.00 C ATOM 112 C GLY A 10 -2.045 -5.360 -21.671 1.00 0.00 C ATOM 113 O GLY A 10 -1.118 -5.956 -22.219 1.00 0.00 O ATOM 0 H GLY A 10 -4.518 -7.021 -21.064 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.633 -5.370 -19.616 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.377 -6.964 -20.297 1.00 0.00 H new ATOM 117 N CYS A 11 -2.458 -4.178 -22.050 1.00 0.00 N ATOM 118 CA CYS A 11 -1.855 -3.481 -23.153 1.00 0.00 C ATOM 119 C CYS A 11 -0.634 -2.696 -22.704 1.00 0.00 C ATOM 120 O CYS A 11 -0.412 -2.494 -21.506 1.00 0.00 O ATOM 121 CB CYS A 11 -2.882 -2.574 -23.823 1.00 0.00 C ATOM 122 SG CYS A 11 -4.264 -3.482 -24.563 1.00 0.00 S ATOM 0 H CYS A 11 -3.222 -3.673 -21.601 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.516 -4.215 -23.884 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.271 -1.871 -23.087 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.388 -1.985 -24.596 1.00 0.00 H new ATOM 127 N THR A 12 0.149 -2.262 -23.663 1.00 0.00 N ATOM 128 CA THR A 12 1.367 -1.534 -23.392 1.00 0.00 C ATOM 129 C THR A 12 1.055 -0.074 -23.105 1.00 0.00 C ATOM 130 O THR A 12 -0.038 0.405 -23.409 1.00 0.00 O ATOM 131 CB THR A 12 2.344 -1.639 -24.596 1.00 0.00 C ATOM 132 OG1 THR A 12 3.515 -0.846 -24.370 1.00 0.00 O ATOM 133 CG2 THR A 12 1.667 -1.192 -25.887 1.00 0.00 C ATOM 0 H THR A 12 -0.040 -2.404 -24.655 1.00 0.00 H new ATOM 0 HA THR A 12 1.842 -1.975 -22.516 1.00 0.00 H new ATOM 0 HB THR A 12 2.636 -2.685 -24.694 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.118 -0.927 -25.138 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.371 -1.275 -26.715 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.802 -1.825 -26.082 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.343 -0.156 -25.788 1.00 0.00 H new ATOM 141 N ASP A 13 2.005 0.632 -22.519 1.00 0.00 N ATOM 142 CA ASP A 13 1.820 2.039 -22.231 1.00 0.00 C ATOM 143 C ASP A 13 1.746 2.815 -23.538 1.00 0.00 C ATOM 144 O ASP A 13 1.078 3.830 -23.624 1.00 0.00 O ATOM 145 CB ASP A 13 2.946 2.581 -21.334 1.00 0.00 C ATOM 146 CG ASP A 13 4.234 2.855 -22.080 1.00 0.00 C ATOM 147 OD1 ASP A 13 4.624 4.035 -22.182 1.00 0.00 O ATOM 148 OD2 ASP A 13 4.858 1.897 -22.570 1.00 0.00 O ATOM 0 H ASP A 13 2.909 0.254 -22.235 1.00 0.00 H new ATOM 0 HA ASP A 13 0.886 2.165 -21.684 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.609 3.501 -20.857 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.142 1.863 -20.538 1.00 0.00 H new ATOM 153 N THR A 14 2.405 2.282 -24.573 1.00 0.00 N ATOM 154 CA THR A 14 2.395 2.872 -25.914 1.00 0.00 C ATOM 155 C THR A 14 0.973 2.863 -26.499 1.00 0.00 C ATOM 156 O THR A 14 0.668 3.567 -27.466 1.00 0.00 O ATOM 157 CB THR A 14 3.333 2.075 -26.849 1.00 0.00 C ATOM 158 OG1 THR A 14 4.618 1.943 -26.236 1.00 0.00 O ATOM 159 CG2 THR A 14 3.485 2.759 -28.201 1.00 0.00 C ATOM 0 H THR A 14 2.960 1.429 -24.503 1.00 0.00 H new ATOM 0 HA THR A 14 2.742 3.902 -25.836 1.00 0.00 H new ATOM 0 HB THR A 14 2.892 1.092 -27.013 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.212 1.436 -26.828 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.151 2.172 -28.833 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.509 2.840 -28.679 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.904 3.755 -28.060 1.00 0.00 H new ATOM 167 N CYS A 15 0.114 2.086 -25.887 1.00 0.00 N ATOM 168 CA CYS A 15 -1.245 1.958 -26.332 1.00 0.00 C ATOM 169 C CYS A 15 -2.106 3.084 -25.742 1.00 0.00 C ATOM 170 O CYS A 15 -3.217 3.345 -26.200 1.00 0.00 O ATOM 171 CB CYS A 15 -1.779 0.599 -25.909 1.00 0.00 C ATOM 172 SG CYS A 15 -3.177 0.027 -26.856 1.00 0.00 S ATOM 0 H CYS A 15 0.341 1.525 -25.066 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.284 2.038 -27.418 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.976 -0.134 -25.991 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.063 0.645 -24.858 1.00 0.00 H new ATOM 177 N LYS A 16 -1.567 3.766 -24.734 1.00 0.00 N ATOM 178 CA LYS A 16 -2.284 4.857 -24.068 1.00 0.00 C ATOM 179 C LYS A 16 -2.028 6.179 -24.783 1.00 0.00 C ATOM 180 O LYS A 16 -2.408 7.243 -24.298 1.00 0.00 O ATOM 181 CB LYS A 16 -1.824 4.987 -22.601 1.00 0.00 C ATOM 182 CG LYS A 16 -1.781 3.675 -21.828 1.00 0.00 C ATOM 183 CD LYS A 16 -3.127 2.982 -21.825 1.00 0.00 C ATOM 184 CE LYS A 16 -4.155 3.708 -20.969 1.00 0.00 C ATOM 185 NZ LYS A 16 -3.843 3.613 -19.522 1.00 0.00 N ATOM 0 H LYS A 16 -0.636 3.584 -24.359 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.349 4.626 -24.099 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.831 5.435 -22.585 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.493 5.675 -22.084 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.034 3.016 -22.270 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.469 3.867 -20.802 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.497 2.909 -22.848 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.007 1.963 -21.457 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.195 4.757 -21.263 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.143 3.287 -21.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.655 3.954 -18.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.646 2.622 -19.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.009 4.196 -19.308 1.00 0.00 H new ATOM 199 N GLN A 17 -1.383 6.114 -25.934 1.00 0.00 N ATOM 200 CA GLN A 17 -1.015 7.324 -26.646 1.00 0.00 C ATOM 201 C GLN A 17 -2.132 7.773 -27.566 1.00 0.00 C ATOM 202 O GLN A 17 -2.987 6.979 -27.957 1.00 0.00 O ATOM 203 CB GLN A 17 0.270 7.117 -27.453 1.00 0.00 C ATOM 204 CG GLN A 17 1.360 6.353 -26.718 1.00 0.00 C ATOM 205 CD GLN A 17 1.679 6.913 -25.350 1.00 0.00 C ATOM 206 OE1 GLN A 17 1.061 6.378 -24.330 1.00 0.00 O flip ATOM 207 NE2 GLN A 17 2.511 7.806 -25.215 1.00 0.00 N flip ATOM 0 H GLN A 17 -1.106 5.246 -26.392 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.840 8.101 -25.902 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.025 6.583 -28.371 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.661 8.091 -27.746 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.054 5.312 -26.612 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.266 6.358 -27.323 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.974 8.200 -26.034 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.739 8.154 -24.284 1.00 0.00 H new ATOM 216 N THR A 18 -2.110 9.040 -27.912 1.00 0.00 N ATOM 217 CA THR A 18 -3.108 9.631 -28.788 1.00 0.00 C ATOM 218 C THR A 18 -2.458 10.674 -29.707 1.00 0.00 C ATOM 219 O THR A 18 -2.113 11.767 -29.257 1.00 0.00 O ATOM 220 CB THR A 18 -4.237 10.299 -27.975 1.00 0.00 C ATOM 221 OG1 THR A 18 -3.669 11.071 -26.904 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.196 9.260 -27.405 1.00 0.00 C ATOM 0 H THR A 18 -1.397 9.697 -27.594 1.00 0.00 H new ATOM 0 HA THR A 18 -3.538 8.830 -29.390 1.00 0.00 H new ATOM 0 HB THR A 18 -4.799 10.951 -28.644 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.937 11.622 -27.251 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.980 9.761 -26.838 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.644 8.693 -28.221 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.650 8.582 -26.749 1.00 0.00 H new ATOM 230 N PRO A 19 -2.248 10.341 -30.997 1.00 0.00 N ATOM 231 CA PRO A 19 -2.618 9.040 -31.559 1.00 0.00 C ATOM 232 C PRO A 19 -1.755 7.917 -31.009 1.00 0.00 C ATOM 233 O PRO A 19 -0.617 8.143 -30.578 1.00 0.00 O ATOM 234 CB PRO A 19 -2.376 9.212 -33.057 1.00 0.00 C ATOM 235 CG PRO A 19 -1.356 10.287 -33.153 1.00 0.00 C ATOM 236 CD PRO A 19 -1.623 11.216 -32.005 1.00 0.00 C ATOM 0 HA PRO A 19 -3.644 8.766 -31.313 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.020 8.287 -33.509 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.293 9.489 -33.577 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.349 9.875 -33.095 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.431 10.812 -34.105 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.704 11.667 -31.631 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.285 12.033 -32.294 1.00 0.00 H new ATOM 244 N CYS A 20 -2.302 6.722 -31.015 1.00 0.00 N ATOM 245 CA CYS A 20 -1.621 5.563 -30.481 1.00 0.00 C ATOM 246 C CYS A 20 -0.334 5.278 -31.256 1.00 0.00 C ATOM 247 O CYS A 20 -0.246 5.553 -32.455 1.00 0.00 O ATOM 248 CB CYS A 20 -2.552 4.367 -30.521 1.00 0.00 C ATOM 249 SG CYS A 20 -1.962 2.930 -29.630 1.00 0.00 S ATOM 0 H CYS A 20 -3.230 6.526 -31.390 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.342 5.762 -29.446 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.518 4.661 -30.110 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.720 4.089 -31.561 1.00 0.00 H new ATOM 254 N GLY A 21 0.659 4.733 -30.570 1.00 0.00 N ATOM 255 CA GLY A 21 1.939 4.475 -31.201 1.00 0.00 C ATOM 256 C GLY A 21 2.128 3.023 -31.587 1.00 0.00 C ATOM 257 O GLY A 21 3.207 2.627 -32.035 1.00 0.00 O ATOM 0 H GLY A 21 0.603 4.464 -29.588 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.030 5.097 -32.092 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.739 4.772 -30.522 1.00 0.00 H new ATOM 261 N CYS A 22 1.084 2.226 -31.429 1.00 0.00 N ATOM 262 CA CYS A 22 1.160 0.804 -31.746 1.00 0.00 C ATOM 263 C CYS A 22 1.197 0.533 -33.252 1.00 0.00 C ATOM 264 O CYS A 22 1.375 -0.608 -33.674 1.00 0.00 O ATOM 265 CB CYS A 22 0.009 0.041 -31.113 1.00 0.00 C ATOM 266 SG CYS A 22 0.228 -0.295 -29.361 1.00 0.00 S ATOM 0 H CYS A 22 0.175 2.535 -31.084 1.00 0.00 H new ATOM 0 HA CYS A 22 2.102 0.450 -31.327 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.910 0.611 -31.251 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.120 -0.904 -31.640 1.00 0.00 H new ATOM 271 N GLY A 23 1.051 1.578 -34.058 1.00 0.00 N ATOM 272 CA GLY A 23 1.078 1.410 -35.503 1.00 0.00 C ATOM 273 C GLY A 23 2.417 0.889 -35.991 1.00 0.00 C ATOM 274 O GLY A 23 2.497 0.224 -37.023 1.00 0.00 O ATOM 0 H GLY A 23 0.915 2.538 -33.740 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.290 0.719 -35.802 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.864 2.365 -35.983 1.00 0.00 H new ATOM 278 N SER A 24 3.466 1.188 -35.239 1.00 0.00 N ATOM 279 CA SER A 24 4.805 0.739 -35.574 1.00 0.00 C ATOM 280 C SER A 24 5.066 -0.659 -35.001 1.00 0.00 C ATOM 281 O SER A 24 6.042 -1.323 -35.365 1.00 0.00 O ATOM 282 CB SER A 24 5.828 1.729 -35.026 1.00 0.00 C ATOM 283 OG SER A 24 5.524 3.053 -35.447 1.00 0.00 O ATOM 0 H SER A 24 3.412 1.745 -34.386 1.00 0.00 H new ATOM 0 HA SER A 24 4.897 0.687 -36.659 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.839 1.682 -33.937 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.826 1.454 -35.367 1.00 0.00 H new ATOM 0 HG SER A 24 6.190 3.673 -35.084 1.00 0.00 H new ATOM 289 N GLY A 25 4.180 -1.102 -34.129 1.00 0.00 N ATOM 290 CA GLY A 25 4.339 -2.380 -33.489 1.00 0.00 C ATOM 291 C GLY A 25 3.563 -2.442 -32.201 1.00 0.00 C ATOM 292 O GLY A 25 3.802 -1.652 -31.287 1.00 0.00 O ATOM 0 H GLY A 25 3.343 -0.589 -33.852 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.001 -3.170 -34.159 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.395 -2.561 -33.290 1.00 0.00 H new ATOM 296 N CYS A 26 2.626 -3.356 -32.129 1.00 0.00 N ATOM 297 CA CYS A 26 1.795 -3.498 -30.954 1.00 0.00 C ATOM 298 C CYS A 26 2.477 -4.339 -29.888 1.00 0.00 C ATOM 299 O CYS A 26 3.190 -5.299 -30.191 1.00 0.00 O ATOM 300 CB CYS A 26 0.460 -4.124 -31.329 1.00 0.00 C ATOM 301 SG CYS A 26 -0.475 -3.186 -32.553 1.00 0.00 S ATOM 0 H CYS A 26 2.417 -4.019 -32.876 1.00 0.00 H new ATOM 0 HA CYS A 26 1.627 -2.502 -30.543 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.637 -5.128 -31.714 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.145 -4.230 -30.429 1.00 0.00 H new ATOM 306 N ASN A 27 2.258 -3.969 -28.648 1.00 0.00 N ATOM 307 CA ASN A 27 2.797 -4.692 -27.513 1.00 0.00 C ATOM 308 C ASN A 27 1.679 -4.894 -26.503 1.00 0.00 C ATOM 309 O ASN A 27 1.844 -4.698 -25.299 1.00 0.00 O ATOM 310 CB ASN A 27 3.968 -3.920 -26.887 1.00 0.00 C ATOM 311 CG ASN A 27 4.688 -4.700 -25.790 1.00 0.00 C ATOM 312 OD1 ASN A 27 4.769 -6.010 -25.940 1.00 0.00 O flip ATOM 313 ND2 ASN A 27 5.177 -4.120 -24.821 1.00 0.00 N flip ATOM 0 H ASN A 27 1.699 -3.155 -28.394 1.00 0.00 H new ATOM 0 HA ASN A 27 3.181 -5.660 -27.835 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.683 -3.662 -27.668 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.596 -2.983 -26.473 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.095 -3.107 -24.738 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.664 -4.653 -24.100 1.00 0.00 H new ATOM 320 N CYS A 28 0.535 -5.269 -27.014 1.00 0.00 N ATOM 321 CA CYS A 28 -0.638 -5.472 -26.208 1.00 0.00 C ATOM 322 C CYS A 28 -1.236 -6.849 -26.461 1.00 0.00 C ATOM 323 O CYS A 28 -0.727 -7.612 -27.289 1.00 0.00 O ATOM 324 CB CYS A 28 -1.647 -4.383 -26.511 1.00 0.00 C ATOM 325 SG CYS A 28 -1.817 -4.020 -28.265 1.00 0.00 S ATOM 0 H CYS A 28 0.391 -5.443 -28.009 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.362 -5.421 -25.155 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.618 -4.680 -26.115 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.354 -3.473 -25.988 1.00 0.00 H new ATOM 330 N LYS A 29 -2.316 -7.160 -25.762 1.00 0.00 N ATOM 331 CA LYS A 29 -2.948 -8.464 -25.888 1.00 0.00 C ATOM 332 C LYS A 29 -3.851 -8.511 -27.108 1.00 0.00 C ATOM 333 O LYS A 29 -4.107 -7.488 -27.741 1.00 0.00 O ATOM 334 CB LYS A 29 -3.754 -8.805 -24.629 1.00 0.00 C ATOM 335 CG LYS A 29 -2.994 -8.599 -23.327 1.00 0.00 C ATOM 336 CD LYS A 29 -1.630 -9.258 -23.359 1.00 0.00 C ATOM 337 CE LYS A 29 -0.913 -9.043 -22.055 1.00 0.00 C ATOM 338 NZ LYS A 29 0.483 -9.536 -22.093 1.00 0.00 N ATOM 0 H LYS A 29 -2.772 -6.529 -25.103 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.158 -9.205 -26.008 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.655 -8.192 -24.611 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.076 -9.845 -24.688 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.877 -7.532 -23.140 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.575 -9.006 -22.499 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.739 -10.326 -23.549 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.040 -8.847 -24.178 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.914 -7.980 -21.813 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.454 -9.552 -21.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.936 -9.366 -21.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.486 -10.556 -22.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.009 -9.033 -22.836 1.00 0.00 H new ATOM 352 N GLU A 30 -4.349 -9.691 -27.419 1.00 0.00 N ATOM 353 CA GLU A 30 -5.218 -9.873 -28.586 1.00 0.00 C ATOM 354 C GLU A 30 -6.658 -9.450 -28.290 1.00 0.00 C ATOM 355 O GLU A 30 -7.544 -9.590 -29.133 1.00 0.00 O ATOM 356 CB GLU A 30 -5.192 -11.329 -29.086 1.00 0.00 C ATOM 357 CG GLU A 30 -5.552 -12.371 -28.034 1.00 0.00 C ATOM 358 CD GLU A 30 -4.349 -12.860 -27.261 1.00 0.00 C ATOM 359 OE1 GLU A 30 -3.835 -13.950 -27.589 1.00 0.00 O ATOM 360 OE2 GLU A 30 -3.898 -12.149 -26.331 1.00 0.00 O ATOM 0 H GLU A 30 -4.173 -10.543 -26.887 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.825 -9.228 -29.372 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.884 -11.424 -29.923 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.196 -11.549 -29.470 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.276 -11.945 -27.340 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.036 -13.219 -28.519 1.00 0.00 H new ATOM 367 N ASP A 31 -6.884 -8.929 -27.100 1.00 0.00 N ATOM 368 CA ASP A 31 -8.217 -8.489 -26.698 1.00 0.00 C ATOM 369 C ASP A 31 -8.294 -6.970 -26.743 1.00 0.00 C ATOM 370 O ASP A 31 -9.201 -6.364 -26.176 1.00 0.00 O ATOM 371 CB ASP A 31 -8.521 -8.969 -25.285 1.00 0.00 C ATOM 372 CG ASP A 31 -10.004 -9.173 -25.035 1.00 0.00 C ATOM 373 OD1 ASP A 31 -10.593 -10.098 -25.646 1.00 0.00 O ATOM 374 OD2 ASP A 31 -10.581 -8.438 -24.209 1.00 0.00 O ATOM 0 H ASP A 31 -6.164 -8.797 -26.389 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.949 -8.911 -27.386 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.995 -9.907 -25.105 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.134 -8.244 -24.569 1.00 0.00 H new ATOM 379 N CYS A 32 -7.327 -6.368 -27.427 1.00 0.00 N ATOM 380 CA CYS A 32 -7.235 -4.921 -27.542 1.00 0.00 C ATOM 381 C CYS A 32 -8.521 -4.322 -28.098 1.00 0.00 C ATOM 382 O CYS A 32 -9.122 -4.854 -29.042 1.00 0.00 O ATOM 383 CB CYS A 32 -6.050 -4.534 -28.425 1.00 0.00 C ATOM 384 SG CYS A 32 -5.843 -2.751 -28.648 1.00 0.00 S ATOM 0 H CYS A 32 -6.587 -6.871 -27.916 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.083 -4.517 -26.541 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.138 -4.943 -27.990 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.173 -4.999 -29.403 1.00 0.00 H new ATOM 389 N ARG A 33 -8.937 -3.217 -27.510 1.00 0.00 N ATOM 390 CA ARG A 33 -10.150 -2.539 -27.918 1.00 0.00 C ATOM 391 C ARG A 33 -9.816 -1.181 -28.498 1.00 0.00 C ATOM 392 O ARG A 33 -10.658 -0.282 -28.524 1.00 0.00 O ATOM 393 CB ARG A 33 -11.079 -2.354 -26.720 1.00 0.00 C ATOM 394 CG ARG A 33 -11.426 -3.635 -25.991 1.00 0.00 C ATOM 395 CD ARG A 33 -12.173 -4.605 -26.882 1.00 0.00 C ATOM 396 NE ARG A 33 -12.630 -5.768 -26.123 1.00 0.00 N ATOM 397 CZ ARG A 33 -12.758 -6.994 -26.620 1.00 0.00 C ATOM 398 NH1 ARG A 33 -12.481 -7.236 -27.898 1.00 0.00 N ATOM 399 NH2 ARG A 33 -13.166 -7.978 -25.831 1.00 0.00 N ATOM 0 H ARG A 33 -8.445 -2.766 -26.739 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.648 -3.147 -28.673 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.611 -1.666 -26.016 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.001 -1.883 -27.061 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.512 -4.105 -25.628 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.034 -3.402 -25.117 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.028 -4.103 -27.335 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.525 -4.929 -27.696 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.868 -5.628 -25.141 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.168 -6.478 -28.504 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.582 -8.180 -28.272 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.379 -7.791 -24.851 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.267 -8.922 -26.204 1.00 0.00 H new ATOM 413 N CYS A 34 -8.602 -1.028 -28.975 1.00 0.00 N ATOM 414 CA CYS A 34 -8.176 0.238 -29.493 1.00 0.00 C ATOM 415 C CYS A 34 -8.352 0.275 -30.979 1.00 0.00 C ATOM 416 O CYS A 34 -8.048 -0.688 -31.662 1.00 0.00 O ATOM 417 CB CYS A 34 -6.741 0.514 -29.134 1.00 0.00 C ATOM 418 SG CYS A 34 -6.374 2.258 -29.075 1.00 0.00 S ATOM 0 H CYS A 34 -7.899 -1.766 -29.012 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.795 1.014 -29.042 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.520 0.067 -28.165 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.089 0.033 -29.863 1.00 0.00 H new ATOM 423 N GLN A 35 -8.835 1.393 -31.480 1.00 0.00 N ATOM 424 CA GLN A 35 -9.119 1.524 -32.893 1.00 0.00 C ATOM 425 C GLN A 35 -7.844 1.630 -33.698 1.00 0.00 C ATOM 426 O GLN A 35 -7.771 1.136 -34.819 1.00 0.00 O ATOM 427 CB GLN A 35 -10.012 2.732 -33.158 1.00 0.00 C ATOM 428 CG GLN A 35 -11.244 2.807 -32.265 1.00 0.00 C ATOM 429 CD GLN A 35 -11.992 1.489 -32.159 1.00 0.00 C ATOM 430 OE1 GLN A 35 -12.839 1.182 -32.994 1.00 0.00 O ATOM 431 NE2 GLN A 35 -11.728 0.731 -31.110 1.00 0.00 N ATOM 0 H GLN A 35 -9.039 2.226 -30.928 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.649 0.625 -33.208 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.424 3.640 -33.024 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.333 2.711 -34.199 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.942 3.126 -31.268 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.919 3.570 -32.653 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.017 1.020 -30.438 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.235 -0.143 -30.972 1.00 0.00 H new ATOM 440 N SER A 36 -6.842 2.247 -33.108 1.00 0.00 N ATOM 441 CA SER A 36 -5.565 2.466 -33.765 1.00 0.00 C ATOM 442 C SER A 36 -4.973 1.157 -34.275 1.00 0.00 C ATOM 443 O SER A 36 -4.629 1.026 -35.448 1.00 0.00 O ATOM 444 CB SER A 36 -4.607 3.107 -32.783 1.00 0.00 C ATOM 445 OG SER A 36 -5.293 4.019 -31.938 1.00 0.00 O ATOM 0 H SER A 36 -6.887 2.613 -32.157 1.00 0.00 H new ATOM 0 HA SER A 36 -5.724 3.121 -34.622 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.126 2.337 -32.181 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.817 3.628 -33.324 1.00 0.00 H new ATOM 0 HG SER A 36 -5.563 3.562 -31.114 1.00 0.00 H new ATOM 451 N CYS A 37 -4.894 0.191 -33.396 1.00 0.00 N ATOM 452 CA CYS A 37 -4.311 -1.091 -33.714 1.00 0.00 C ATOM 453 C CYS A 37 -5.397 -2.144 -33.905 1.00 0.00 C ATOM 454 O CYS A 37 -5.185 -3.331 -33.665 1.00 0.00 O ATOM 455 CB CYS A 37 -3.342 -1.485 -32.603 1.00 0.00 C ATOM 456 SG CYS A 37 -3.808 -0.865 -30.961 1.00 0.00 S ATOM 0 H CYS A 37 -5.232 0.270 -32.437 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.762 -1.022 -34.653 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.274 -2.572 -32.563 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.349 -1.112 -32.852 1.00 0.00 H new ATOM 461 N LYS A 38 -6.549 -1.704 -34.380 1.00 0.00 N ATOM 462 CA LYS A 38 -7.677 -2.587 -34.575 1.00 0.00 C ATOM 463 C LYS A 38 -7.720 -3.103 -36.003 1.00 0.00 C ATOM 464 O LYS A 38 -7.875 -4.300 -36.239 1.00 0.00 O ATOM 465 CB LYS A 38 -8.954 -1.851 -34.253 1.00 0.00 C ATOM 466 CG LYS A 38 -9.877 -2.606 -33.336 1.00 0.00 C ATOM 467 CD LYS A 38 -11.092 -1.781 -33.002 1.00 0.00 C ATOM 468 CE LYS A 38 -12.107 -1.795 -34.141 1.00 0.00 C ATOM 469 NZ LYS A 38 -12.654 -3.159 -34.381 1.00 0.00 N ATOM 0 H LYS A 38 -6.725 -0.733 -34.638 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.570 -3.442 -33.908 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.705 -0.894 -33.794 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.480 -1.632 -35.182 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.184 -3.539 -33.809 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.349 -2.872 -32.420 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.557 -2.166 -32.094 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.790 -0.754 -32.795 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.924 -1.112 -33.908 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.635 -1.428 -35.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.577 -3.085 -34.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.998 -3.695 -34.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.770 -3.651 -33.472 1.00 0.00 H new ATOM 483 N TYR A 39 -7.585 -2.194 -36.952 1.00 0.00 N ATOM 484 CA TYR A 39 -7.601 -2.561 -38.358 1.00 0.00 C ATOM 485 C TYR A 39 -6.256 -3.113 -38.802 1.00 0.00 C ATOM 486 O TYR A 39 -6.171 -4.185 -39.396 1.00 0.00 O ATOM 487 CB TYR A 39 -8.029 -1.376 -39.241 1.00 0.00 C ATOM 488 CG TYR A 39 -7.610 0.004 -38.752 1.00 0.00 C ATOM 489 CD1 TYR A 39 -6.332 0.501 -38.982 1.00 0.00 C ATOM 490 CD2 TYR A 39 -8.514 0.817 -38.075 1.00 0.00 C ATOM 491 CE1 TYR A 39 -5.967 1.763 -38.548 1.00 0.00 C ATOM 492 CE2 TYR A 39 -8.155 2.077 -37.639 1.00 0.00 C ATOM 493 CZ TYR A 39 -6.883 2.546 -37.877 1.00 0.00 C ATOM 494 OH TYR A 39 -6.527 3.804 -37.442 1.00 0.00 O ATOM 0 H TYR A 39 -7.463 -1.197 -36.776 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.341 -3.352 -38.480 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.619 -1.526 -40.240 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -9.115 -1.392 -39.336 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.612 -0.108 -39.508 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -9.514 0.456 -37.887 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.970 2.133 -38.734 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.870 2.692 -37.113 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.289 4.221 -36.989 1.00 0.00 H new ATOM 504 N GLY A 40 -5.232 -2.364 -38.532 1.00 0.00 N ATOM 505 CA GLY A 40 -3.887 -2.764 -38.859 1.00 0.00 C ATOM 506 C GLY A 40 -3.167 -1.649 -39.552 1.00 0.00 C ATOM 507 O GLY A 40 -3.235 -0.506 -39.116 1.00 0.00 O ATOM 0 H GLY A 40 -5.299 -1.454 -38.077 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.352 -3.042 -37.951 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.908 -3.646 -39.499 1.00 0.00 H new ATOM 511 N ALA A 41 -2.515 -1.959 -40.649 1.00 0.00 N ATOM 512 CA ALA A 41 -1.827 -0.949 -41.438 1.00 0.00 C ATOM 513 C ALA A 41 -2.819 -0.260 -42.372 1.00 0.00 C ATOM 514 O ALA A 41 -2.515 0.015 -43.531 1.00 0.00 O ATOM 515 CB ALA A 41 -0.705 -1.591 -42.231 1.00 0.00 C ATOM 0 H ALA A 41 -2.443 -2.906 -41.021 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.397 -0.200 -40.773 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.194 -0.829 -42.820 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.004 -2.057 -41.547 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.118 -2.348 -42.897 1.00 0.00 H new ATOM 521 N GLY A 42 -3.996 0.030 -41.841 1.00 0.00 N ATOM 522 CA GLY A 42 -5.049 0.625 -42.629 1.00 0.00 C ATOM 523 C GLY A 42 -5.760 -0.413 -43.466 1.00 0.00 C ATOM 524 O GLY A 42 -5.851 -0.282 -44.681 1.00 0.00 O ATOM 0 H GLY A 42 -4.241 -0.140 -40.865 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.765 1.118 -41.971 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.631 1.394 -43.278 1.00 0.00 H new ATOM 528 N CYS A 43 -6.268 -1.451 -42.816 1.00 0.00 N ATOM 529 CA CYS A 43 -6.928 -2.527 -43.520 1.00 0.00 C ATOM 530 C CYS A 43 -8.437 -2.445 -43.302 1.00 0.00 C ATOM 531 O CYS A 43 -8.895 -1.940 -42.271 1.00 0.00 O ATOM 532 CB CYS A 43 -6.378 -3.873 -43.039 1.00 0.00 C ATOM 533 SG CYS A 43 -6.586 -5.236 -44.228 1.00 0.00 S ATOM 0 H CYS A 43 -6.233 -1.565 -41.803 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.733 -2.436 -44.588 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.317 -3.760 -42.816 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -6.873 -4.142 -42.106 1.00 0.00 H new ATOM 538 N THR A 44 -9.200 -2.923 -44.264 1.00 0.00 N ATOM 539 CA THR A 44 -10.646 -2.870 -44.189 1.00 0.00 C ATOM 540 C THR A 44 -11.226 -4.018 -43.363 1.00 0.00 C ATOM 541 O THR A 44 -10.773 -5.157 -43.449 1.00 0.00 O ATOM 542 CB THR A 44 -11.262 -2.880 -45.598 1.00 0.00 C ATOM 543 OG1 THR A 44 -10.362 -3.536 -46.510 1.00 0.00 O ATOM 544 CG2 THR A 44 -11.531 -1.460 -46.075 1.00 0.00 C ATOM 0 H THR A 44 -8.839 -3.356 -45.114 1.00 0.00 H new ATOM 0 HA THR A 44 -10.902 -1.937 -43.687 1.00 0.00 H new ATOM 0 HB THR A 44 -12.209 -3.419 -45.564 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.755 -3.544 -47.408 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.967 -1.488 -47.074 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.224 -0.971 -45.390 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.595 -0.902 -46.103 1.00 0.00 H new ATOM 552 N ASP A 45 -12.237 -3.702 -42.566 1.00 0.00 N ATOM 553 CA ASP A 45 -12.917 -4.689 -41.729 1.00 0.00 C ATOM 554 C ASP A 45 -13.690 -5.675 -42.590 1.00 0.00 C ATOM 555 O ASP A 45 -13.892 -6.820 -42.208 1.00 0.00 O ATOM 556 CB ASP A 45 -13.865 -3.992 -40.757 1.00 0.00 C ATOM 557 CG ASP A 45 -14.585 -4.956 -39.834 1.00 0.00 C ATOM 558 OD1 ASP A 45 -15.742 -5.320 -40.134 1.00 0.00 O ATOM 559 OD2 ASP A 45 -14.005 -5.341 -38.792 1.00 0.00 O ATOM 0 H ASP A 45 -12.611 -2.757 -42.479 1.00 0.00 H new ATOM 0 HA ASP A 45 -12.165 -5.236 -41.161 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -13.301 -3.278 -40.158 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.601 -3.422 -41.323 1.00 0.00 H new ATOM 564 N VAL A 46 -14.101 -5.219 -43.774 1.00 0.00 N ATOM 565 CA VAL A 46 -14.827 -6.064 -44.729 1.00 0.00 C ATOM 566 C VAL A 46 -13.930 -7.222 -45.192 1.00 0.00 C ATOM 567 O VAL A 46 -14.399 -8.240 -45.705 1.00 0.00 O ATOM 568 CB VAL A 46 -15.295 -5.242 -45.955 1.00 0.00 C ATOM 569 CG1 VAL A 46 -16.244 -6.053 -46.833 1.00 0.00 C ATOM 570 CG2 VAL A 46 -15.957 -3.950 -45.502 1.00 0.00 C ATOM 0 H VAL A 46 -13.943 -4.265 -44.098 1.00 0.00 H new ATOM 0 HA VAL A 46 -15.708 -6.464 -44.227 1.00 0.00 H new ATOM 0 HB VAL A 46 -14.418 -4.995 -46.553 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.556 -5.450 -47.686 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -15.735 -6.949 -47.189 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -17.120 -6.341 -46.252 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -16.281 -3.382 -46.374 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -16.821 -4.183 -44.879 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -15.244 -3.358 -44.928 1.00 0.00 H new ATOM 580 N CYS A 47 -12.644 -7.051 -44.992 1.00 0.00 N ATOM 581 CA CYS A 47 -11.668 -8.059 -45.327 1.00 0.00 C ATOM 582 C CYS A 47 -11.525 -9.060 -44.173 1.00 0.00 C ATOM 583 O CYS A 47 -11.204 -10.231 -44.377 1.00 0.00 O ATOM 584 CB CYS A 47 -10.333 -7.382 -45.624 1.00 0.00 C ATOM 585 SG CYS A 47 -8.967 -8.511 -45.876 1.00 0.00 S ATOM 0 H CYS A 47 -12.244 -6.203 -44.590 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.994 -8.607 -46.211 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.444 -6.762 -46.514 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.088 -6.713 -44.799 1.00 0.00 H new ATOM 590 N LYS A 48 -11.797 -8.592 -42.958 1.00 0.00 N ATOM 591 CA LYS A 48 -11.704 -9.423 -41.763 1.00 0.00 C ATOM 592 C LYS A 48 -12.983 -10.224 -41.548 1.00 0.00 C ATOM 593 O LYS A 48 -13.157 -10.879 -40.516 1.00 0.00 O ATOM 594 CB LYS A 48 -11.425 -8.545 -40.554 1.00 0.00 C ATOM 595 CG LYS A 48 -10.166 -7.727 -40.706 1.00 0.00 C ATOM 596 CD LYS A 48 -10.009 -6.723 -39.591 1.00 0.00 C ATOM 597 CE LYS A 48 -8.722 -5.934 -39.758 1.00 0.00 C ATOM 598 NZ LYS A 48 -7.511 -6.794 -39.622 1.00 0.00 N ATOM 0 H LYS A 48 -12.087 -7.631 -42.775 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.886 -10.131 -41.896 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.271 -7.876 -40.393 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.341 -9.172 -39.666 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.302 -8.391 -40.721 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.185 -7.206 -41.663 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.861 -6.043 -39.585 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.004 -7.237 -38.630 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.717 -5.454 -40.737 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.686 -5.139 -39.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.670 -6.193 -39.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.614 -7.410 -38.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.403 -7.379 -40.475 1.00 0.00 H new ATOM 612 N GLN A 49 -13.869 -10.166 -42.524 1.00 0.00 N ATOM 613 CA GLN A 49 -15.126 -10.891 -42.468 1.00 0.00 C ATOM 614 C GLN A 49 -14.894 -12.391 -42.608 1.00 0.00 C ATOM 615 O GLN A 49 -13.805 -12.835 -42.979 1.00 0.00 O ATOM 616 CB GLN A 49 -16.065 -10.423 -43.574 1.00 0.00 C ATOM 617 CG GLN A 49 -16.456 -8.966 -43.488 1.00 0.00 C ATOM 618 CD GLN A 49 -17.423 -8.564 -44.590 1.00 0.00 C ATOM 619 OE1 GLN A 49 -17.429 -9.142 -45.670 1.00 0.00 O ATOM 620 NE2 GLN A 49 -18.236 -7.564 -44.322 1.00 0.00 N ATOM 0 H GLN A 49 -13.740 -9.618 -43.375 1.00 0.00 H new ATOM 0 HA GLN A 49 -15.581 -10.690 -41.498 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.589 -10.602 -44.538 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.969 -11.031 -43.547 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.913 -8.771 -42.518 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.561 -8.347 -43.549 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.200 -7.108 -43.410 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.902 -7.245 -45.026 1.00 0.00 H new ATOM 629 N THR A 50 -15.912 -13.163 -42.304 1.00 0.00 N ATOM 630 CA THR A 50 -15.844 -14.601 -42.433 1.00 0.00 C ATOM 631 C THR A 50 -17.228 -15.164 -42.769 1.00 0.00 C ATOM 632 O THR A 50 -18.106 -15.216 -41.906 1.00 0.00 O ATOM 633 CB THR A 50 -15.315 -15.252 -41.140 1.00 0.00 C ATOM 634 OG1 THR A 50 -14.046 -14.669 -40.796 1.00 0.00 O ATOM 635 CG2 THR A 50 -15.147 -16.753 -41.317 1.00 0.00 C ATOM 0 H THR A 50 -16.807 -12.814 -41.962 1.00 0.00 H new ATOM 0 HA THR A 50 -15.151 -14.835 -43.241 1.00 0.00 H new ATOM 0 HB THR A 50 -16.038 -15.075 -40.343 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.709 -15.081 -39.973 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.773 -17.189 -40.391 1.00 0.00 H new ATOM 0 HG22 THR A 50 -16.110 -17.200 -41.565 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.438 -16.947 -42.122 1.00 0.00 H new ATOM 643 N PRO A 51 -17.459 -15.569 -44.039 1.00 0.00 N ATOM 644 CA PRO A 51 -16.453 -15.502 -45.118 1.00 0.00 C ATOM 645 C PRO A 51 -16.134 -14.063 -45.518 1.00 0.00 C ATOM 646 O PRO A 51 -16.904 -13.143 -45.223 1.00 0.00 O ATOM 647 CB PRO A 51 -17.138 -16.229 -46.279 1.00 0.00 C ATOM 648 CG PRO A 51 -18.591 -16.071 -46.011 1.00 0.00 C ATOM 649 CD PRO A 51 -18.735 -16.120 -44.520 1.00 0.00 C ATOM 0 HA PRO A 51 -15.501 -15.939 -44.818 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -16.862 -15.793 -47.239 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.853 -17.280 -46.313 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -18.962 -15.127 -46.410 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -19.166 -16.866 -46.486 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -19.584 -15.527 -44.178 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.893 -17.138 -44.164 1.00 0.00 H new ATOM 657 N CYS A 52 -15.008 -13.873 -46.183 1.00 0.00 N ATOM 658 CA CYS A 52 -14.585 -12.544 -46.581 1.00 0.00 C ATOM 659 C CYS A 52 -15.499 -11.982 -47.661 1.00 0.00 C ATOM 660 O CYS A 52 -15.856 -12.683 -48.614 1.00 0.00 O ATOM 661 CB CYS A 52 -13.149 -12.553 -47.085 1.00 0.00 C ATOM 662 SG CYS A 52 -12.531 -10.912 -47.485 1.00 0.00 S ATOM 0 H CYS A 52 -14.372 -14.621 -46.458 1.00 0.00 H new ATOM 0 HA CYS A 52 -14.644 -11.907 -45.699 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -12.507 -13.002 -46.327 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -13.085 -13.185 -47.971 1.00 0.00 H new ATOM 667 N GLY A 53 -15.865 -10.722 -47.514 1.00 0.00 N ATOM 668 CA GLY A 53 -16.733 -10.088 -48.476 1.00 0.00 C ATOM 669 C GLY A 53 -16.153 -8.808 -49.008 1.00 0.00 C ATOM 670 O GLY A 53 -16.881 -7.956 -49.530 1.00 0.00 O ATOM 0 H GLY A 53 -15.574 -10.124 -46.740 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.917 -10.773 -49.304 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.698 -9.882 -48.012 1.00 0.00 H new ATOM 674 N CYS A 54 -14.840 -8.663 -48.892 1.00 0.00 N ATOM 675 CA CYS A 54 -14.169 -7.463 -49.359 1.00 0.00 C ATOM 676 C CYS A 54 -14.350 -7.302 -50.858 1.00 0.00 C ATOM 677 O CYS A 54 -14.658 -6.222 -51.335 1.00 0.00 O ATOM 678 CB CYS A 54 -12.689 -7.492 -49.010 1.00 0.00 C ATOM 679 SG CYS A 54 -11.873 -5.892 -49.200 1.00 0.00 S ATOM 0 H CYS A 54 -14.222 -9.361 -48.479 1.00 0.00 H new ATOM 0 HA CYS A 54 -14.622 -6.609 -48.855 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -12.573 -7.830 -47.980 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -12.188 -8.224 -49.644 1.00 0.00 H new ATOM 684 N ALA A 55 -14.193 -8.399 -51.589 1.00 0.00 N ATOM 685 CA ALA A 55 -14.347 -8.382 -53.040 1.00 0.00 C ATOM 686 C ALA A 55 -15.774 -8.012 -53.430 1.00 0.00 C ATOM 687 O ALA A 55 -16.019 -7.492 -54.513 1.00 0.00 O ATOM 688 CB ALA A 55 -13.972 -9.735 -53.627 1.00 0.00 C ATOM 0 H ALA A 55 -13.959 -9.313 -51.201 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.676 -7.625 -53.446 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.092 -9.708 -54.710 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.935 -9.963 -53.382 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.621 -10.505 -53.210 1.00 0.00 H new ATOM 694 N THR A 56 -16.708 -8.277 -52.531 1.00 0.00 N ATOM 695 CA THR A 56 -18.100 -7.981 -52.768 1.00 0.00 C ATOM 696 C THR A 56 -18.368 -6.473 -52.679 1.00 0.00 C ATOM 697 O THR A 56 -18.951 -5.887 -53.591 1.00 0.00 O ATOM 698 CB THR A 56 -18.989 -8.728 -51.759 1.00 0.00 C ATOM 699 OG1 THR A 56 -18.630 -10.118 -51.746 1.00 0.00 O ATOM 700 CG2 THR A 56 -20.458 -8.588 -52.123 1.00 0.00 C ATOM 0 H THR A 56 -16.518 -8.701 -51.623 1.00 0.00 H new ATOM 0 HA THR A 56 -18.344 -8.316 -53.776 1.00 0.00 H new ATOM 0 HB THR A 56 -18.835 -8.293 -50.772 1.00 0.00 H new ATOM 0 HG1 THR A 56 -19.194 -10.596 -51.102 1.00 0.00 H new ATOM 0 HG21 THR A 56 -21.066 -9.125 -51.395 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.735 -7.534 -52.120 1.00 0.00 H new ATOM 0 HG23 THR A 56 -20.628 -9.005 -53.116 1.00 0.00 H new ATOM 708 N SER A 57 -17.919 -5.850 -51.596 1.00 0.00 N ATOM 709 CA SER A 57 -18.147 -4.422 -51.398 1.00 0.00 C ATOM 710 C SER A 57 -17.146 -3.586 -52.198 1.00 0.00 C ATOM 711 O SER A 57 -17.505 -2.570 -52.791 1.00 0.00 O ATOM 712 CB SER A 57 -18.069 -4.068 -49.905 1.00 0.00 C ATOM 713 OG SER A 57 -18.371 -2.694 -49.678 1.00 0.00 O ATOM 0 H SER A 57 -17.399 -6.306 -50.846 1.00 0.00 H new ATOM 0 HA SER A 57 -19.147 -4.188 -51.762 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.765 -4.692 -49.345 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.070 -4.289 -49.529 1.00 0.00 H new ATOM 0 HG SER A 57 -18.314 -2.501 -48.719 1.00 0.00 H new ATOM 719 N GLY A 58 -15.907 -4.029 -52.222 1.00 0.00 N ATOM 720 CA GLY A 58 -14.870 -3.310 -52.916 1.00 0.00 C ATOM 721 C GLY A 58 -13.537 -3.482 -52.233 1.00 0.00 C ATOM 722 O GLY A 58 -13.337 -2.988 -51.120 1.00 0.00 O ATOM 0 H GLY A 58 -15.597 -4.887 -51.766 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.803 -3.665 -53.944 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.125 -2.251 -52.960 1.00 0.00 H new ATOM 726 N CYS A 59 -12.640 -4.201 -52.880 1.00 0.00 N ATOM 727 CA CYS A 59 -11.319 -4.466 -52.338 1.00 0.00 C ATOM 728 C CYS A 59 -10.537 -3.162 -52.146 1.00 0.00 C ATOM 729 O CYS A 59 -10.234 -2.456 -53.116 1.00 0.00 O ATOM 730 CB CYS A 59 -10.559 -5.416 -53.265 1.00 0.00 C ATOM 731 SG CYS A 59 -8.933 -5.907 -52.666 1.00 0.00 S ATOM 0 H CYS A 59 -12.805 -4.618 -53.796 1.00 0.00 H new ATOM 0 HA CYS A 59 -11.431 -4.937 -51.362 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.161 -6.312 -53.418 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.444 -4.939 -54.238 1.00 0.00 H new ATOM 736 N ASN A 60 -10.229 -2.843 -50.896 1.00 0.00 N ATOM 737 CA ASN A 60 -9.506 -1.616 -50.574 1.00 0.00 C ATOM 738 C ASN A 60 -8.015 -1.875 -50.416 1.00 0.00 C ATOM 739 O ASN A 60 -7.187 -1.088 -50.887 1.00 0.00 O ATOM 740 CB ASN A 60 -10.063 -0.975 -49.297 1.00 0.00 C ATOM 741 CG ASN A 60 -9.282 0.264 -48.872 1.00 0.00 C ATOM 742 OD1 ASN A 60 -8.317 0.177 -48.107 1.00 0.00 O ATOM 743 ND2 ASN A 60 -9.696 1.420 -49.355 1.00 0.00 N ATOM 0 H ASN A 60 -10.468 -3.416 -50.087 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.647 -0.927 -51.407 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.107 -0.705 -49.457 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.043 -1.707 -48.489 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.214 2.282 -49.098 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.498 1.452 -49.985 1.00 0.00 H new ATOM 750 N CYS A 61 -7.673 -2.972 -49.768 1.00 0.00 N ATOM 751 CA CYS A 61 -6.280 -3.318 -49.534 1.00 0.00 C ATOM 752 C CYS A 61 -5.614 -3.810 -50.817 1.00 0.00 C ATOM 753 O CYS A 61 -6.286 -4.084 -51.815 1.00 0.00 O ATOM 754 CB CYS A 61 -6.183 -4.368 -48.430 1.00 0.00 C ATOM 755 SG CYS A 61 -7.345 -5.731 -48.620 1.00 0.00 S ATOM 0 H CYS A 61 -8.343 -3.643 -49.392 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.749 -2.423 -49.212 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.169 -4.767 -48.409 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.356 -3.887 -47.467 1.00 0.00 H new ATOM 760 N THR A 62 -4.297 -3.886 -50.806 1.00 0.00 N ATOM 761 CA THR A 62 -3.567 -4.325 -51.955 1.00 0.00 C ATOM 762 C THR A 62 -3.412 -5.844 -51.953 1.00 0.00 C ATOM 763 O THR A 62 -3.699 -6.510 -50.958 1.00 0.00 O ATOM 764 CB THR A 62 -2.188 -3.672 -51.989 1.00 0.00 C ATOM 765 OG1 THR A 62 -2.218 -2.463 -51.213 1.00 0.00 O ATOM 766 CG2 THR A 62 -1.798 -3.329 -53.405 1.00 0.00 C ATOM 0 H THR A 62 -3.717 -3.645 -50.002 1.00 0.00 H new ATOM 0 HA THR A 62 -4.128 -4.030 -52.842 1.00 0.00 H new ATOM 0 HB THR A 62 -1.461 -4.372 -51.578 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.334 -2.041 -51.231 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.812 -2.864 -53.408 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.773 -4.238 -54.006 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.527 -2.636 -53.826 1.00 0.00 H new ATOM 774 N ASP A 63 -2.925 -6.377 -53.057 1.00 0.00 N ATOM 775 CA ASP A 63 -2.778 -7.820 -53.229 1.00 0.00 C ATOM 776 C ASP A 63 -1.600 -8.382 -52.435 1.00 0.00 C ATOM 777 O ASP A 63 -1.272 -9.561 -52.556 1.00 0.00 O ATOM 778 CB ASP A 63 -2.615 -8.162 -54.706 1.00 0.00 C ATOM 779 CG ASP A 63 -3.829 -7.805 -55.529 1.00 0.00 C ATOM 780 OD1 ASP A 63 -3.879 -6.675 -56.048 1.00 0.00 O ATOM 781 OD2 ASP A 63 -4.735 -8.653 -55.663 1.00 0.00 O ATOM 0 H ASP A 63 -2.619 -5.829 -53.861 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.686 -8.282 -52.842 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.746 -7.636 -55.102 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.415 -9.229 -54.807 1.00 0.00 H new ATOM 786 N ASP A 64 -0.960 -7.542 -51.630 1.00 0.00 N ATOM 787 CA ASP A 64 0.149 -7.995 -50.792 1.00 0.00 C ATOM 788 C ASP A 64 -0.386 -8.563 -49.496 1.00 0.00 C ATOM 789 O ASP A 64 0.359 -9.119 -48.686 1.00 0.00 O ATOM 790 CB ASP A 64 1.133 -6.862 -50.498 1.00 0.00 C ATOM 791 CG ASP A 64 0.516 -5.757 -49.683 1.00 0.00 C ATOM 792 OD1 ASP A 64 0.662 -5.767 -48.441 1.00 0.00 O ATOM 793 OD2 ASP A 64 -0.118 -4.873 -50.281 1.00 0.00 O ATOM 0 H ASP A 64 -1.186 -6.551 -51.538 1.00 0.00 H new ATOM 0 HA ASP A 64 0.687 -8.770 -51.338 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.995 -7.263 -49.965 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.502 -6.453 -51.439 1.00 0.00 H new ATOM 798 N CYS A 65 -1.683 -8.397 -49.293 1.00 0.00 N ATOM 799 CA CYS A 65 -2.346 -8.936 -48.135 1.00 0.00 C ATOM 800 C CYS A 65 -2.336 -10.466 -48.237 1.00 0.00 C ATOM 801 O CYS A 65 -2.490 -11.020 -49.331 1.00 0.00 O ATOM 802 CB CYS A 65 -3.790 -8.398 -48.071 1.00 0.00 C ATOM 803 SG CYS A 65 -4.557 -8.464 -46.426 1.00 0.00 S ATOM 0 H CYS A 65 -2.296 -7.886 -49.928 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.831 -8.634 -47.223 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.793 -7.364 -48.416 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.406 -8.968 -48.766 1.00 0.00 H new ATOM 808 N LYS A 66 -2.139 -11.149 -47.109 1.00 0.00 N ATOM 809 CA LYS A 66 -2.078 -12.620 -47.095 1.00 0.00 C ATOM 810 C LYS A 66 -3.423 -13.244 -47.423 1.00 0.00 C ATOM 811 O LYS A 66 -3.537 -14.464 -47.568 1.00 0.00 O ATOM 812 CB LYS A 66 -1.603 -13.134 -45.739 1.00 0.00 C ATOM 813 CG LYS A 66 -0.114 -12.985 -45.500 1.00 0.00 C ATOM 814 CD LYS A 66 0.267 -13.436 -44.097 1.00 0.00 C ATOM 815 CE LYS A 66 -0.310 -12.502 -43.036 1.00 0.00 C ATOM 816 NZ LYS A 66 0.184 -11.102 -43.190 1.00 0.00 N ATOM 0 H LYS A 66 -2.019 -10.714 -46.194 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.363 -12.912 -47.865 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.140 -12.602 -44.954 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.869 -14.187 -45.650 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.435 -13.573 -46.235 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.177 -11.944 -45.642 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.096 -14.450 -43.928 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.353 -13.467 -44.005 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.398 -12.511 -43.099 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.045 -12.872 -42.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.004 -10.570 -42.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.207 -11.113 -43.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.307 -10.646 -43.986 1.00 0.00 H new ATOM 830 N CYS A 67 -4.431 -12.422 -47.527 1.00 0.00 N ATOM 831 CA CYS A 67 -5.749 -12.894 -47.813 1.00 0.00 C ATOM 832 C CYS A 67 -5.909 -13.158 -49.307 1.00 0.00 C ATOM 833 O CYS A 67 -5.746 -12.262 -50.126 1.00 0.00 O ATOM 834 CB CYS A 67 -6.781 -11.886 -47.333 1.00 0.00 C ATOM 835 SG CYS A 67 -8.446 -12.550 -47.248 1.00 0.00 S ATOM 0 H CYS A 67 -4.358 -11.411 -47.416 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.908 -13.833 -47.283 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.492 -11.524 -46.346 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.775 -11.026 -48.002 1.00 0.00 H new ATOM 840 N GLN A 68 -6.213 -14.401 -49.652 1.00 0.00 N ATOM 841 CA GLN A 68 -6.393 -14.788 -51.046 1.00 0.00 C ATOM 842 C GLN A 68 -7.869 -14.805 -51.419 1.00 0.00 C ATOM 843 O GLN A 68 -8.237 -15.208 -52.520 1.00 0.00 O ATOM 844 CB GLN A 68 -5.769 -16.166 -51.307 1.00 0.00 C ATOM 845 CG GLN A 68 -4.247 -16.177 -51.276 1.00 0.00 C ATOM 846 CD GLN A 68 -3.635 -15.416 -52.438 1.00 0.00 C ATOM 847 OE1 GLN A 68 -3.388 -14.209 -52.350 1.00 0.00 O ATOM 848 NE2 GLN A 68 -3.382 -16.112 -53.528 1.00 0.00 N ATOM 0 H GLN A 68 -6.341 -15.162 -48.984 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.888 -14.049 -51.668 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.142 -16.868 -50.561 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.104 -16.526 -52.280 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.903 -15.740 -50.339 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.894 -17.208 -51.295 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.601 -17.108 -53.560 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.967 -15.655 -54.340 1.00 0.00 H new ATOM 857 N SER A 69 -8.710 -14.359 -50.501 1.00 0.00 N ATOM 858 CA SER A 69 -10.140 -14.359 -50.720 1.00 0.00 C ATOM 859 C SER A 69 -10.566 -13.223 -51.659 1.00 0.00 C ATOM 860 O SER A 69 -11.372 -13.425 -52.567 1.00 0.00 O ATOM 861 CB SER A 69 -10.865 -14.244 -49.381 1.00 0.00 C ATOM 862 OG SER A 69 -10.392 -15.228 -48.463 1.00 0.00 O ATOM 0 H SER A 69 -8.422 -13.991 -49.594 1.00 0.00 H new ATOM 0 HA SER A 69 -10.412 -15.299 -51.200 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.713 -13.248 -48.964 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.938 -14.366 -49.531 1.00 0.00 H new ATOM 0 HG SER A 69 -9.732 -14.824 -47.862 1.00 0.00 H new ATOM 868 N CYS A 70 -10.020 -12.039 -51.444 1.00 0.00 N ATOM 869 CA CYS A 70 -10.380 -10.874 -52.248 1.00 0.00 C ATOM 870 C CYS A 70 -9.274 -10.476 -53.232 1.00 0.00 C ATOM 871 O CYS A 70 -9.511 -9.698 -54.158 1.00 0.00 O ATOM 872 CB CYS A 70 -10.680 -9.715 -51.330 1.00 0.00 C ATOM 873 SG CYS A 70 -9.386 -9.435 -50.128 1.00 0.00 S ATOM 0 H CYS A 70 -9.325 -11.854 -50.720 1.00 0.00 H new ATOM 0 HA CYS A 70 -11.258 -11.137 -52.838 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -10.820 -8.812 -51.925 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -11.619 -9.902 -50.810 1.00 0.00 H new ATOM 878 N SER A 71 -8.076 -11.007 -53.036 1.00 0.00 N ATOM 879 CA SER A 71 -6.944 -10.664 -53.886 1.00 0.00 C ATOM 880 C SER A 71 -7.092 -11.267 -55.282 1.00 0.00 C ATOM 881 O SER A 71 -7.911 -12.172 -55.502 1.00 0.00 O ATOM 882 CB SER A 71 -5.640 -11.127 -53.241 1.00 0.00 C ATOM 883 OG SER A 71 -5.673 -12.518 -52.972 1.00 0.00 O ATOM 0 H SER A 71 -7.862 -11.676 -52.297 1.00 0.00 H new ATOM 0 HA SER A 71 -6.921 -9.580 -53.993 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.803 -10.900 -53.901 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.473 -10.578 -52.315 1.00 0.00 H new ATOM 0 HG SER A 71 -4.761 -12.845 -52.827 1.00 0.00 H new ATOM 889 N THR A 72 -6.307 -10.760 -56.219 1.00 0.00 N ATOM 890 CA THR A 72 -6.334 -11.236 -57.586 1.00 0.00 C ATOM 891 C THR A 72 -5.821 -12.670 -57.688 1.00 0.00 C ATOM 892 O THR A 72 -4.733 -12.999 -57.189 1.00 0.00 O ATOM 893 CB THR A 72 -5.509 -10.321 -58.515 1.00 0.00 C ATOM 894 OG1 THR A 72 -4.258 -9.996 -57.895 1.00 0.00 O ATOM 895 CG2 THR A 72 -6.268 -9.041 -58.829 1.00 0.00 C ATOM 0 H THR A 72 -5.637 -10.010 -56.051 1.00 0.00 H new ATOM 0 HA THR A 72 -7.375 -11.215 -57.908 1.00 0.00 H new ATOM 0 HB THR A 72 -5.328 -10.856 -59.447 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.405 -9.330 -57.192 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.666 -8.413 -59.485 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.207 -9.287 -59.324 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.475 -8.505 -57.903 1.00 0.00 H new ATOM 903 N ALA A 73 -6.614 -13.514 -58.326 1.00 0.00 N ATOM 904 CA ALA A 73 -6.274 -14.908 -58.511 1.00 0.00 C ATOM 905 C ALA A 73 -5.224 -15.065 -59.606 1.00 0.00 C ATOM 906 O ALA A 73 -4.990 -14.143 -60.391 1.00 0.00 O ATOM 907 CB ALA A 73 -7.525 -15.706 -58.856 1.00 0.00 C ATOM 0 H ALA A 73 -7.512 -13.248 -58.730 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.855 -15.292 -57.581 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.261 -16.755 -58.994 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.248 -15.617 -58.045 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.962 -15.318 -59.776 1.00 0.00 H new ATOM 913 N CYS A 74 -4.601 -16.226 -59.653 1.00 0.00 N ATOM 914 CA CYS A 74 -3.580 -16.509 -60.647 1.00 0.00 C ATOM 915 C CYS A 74 -4.220 -17.083 -61.910 1.00 0.00 C ATOM 916 O CYS A 74 -5.277 -17.717 -61.843 1.00 0.00 O ATOM 917 CB CYS A 74 -2.551 -17.487 -60.082 1.00 0.00 C ATOM 918 SG CYS A 74 -0.838 -16.982 -60.336 1.00 0.00 S ATOM 0 H CYS A 74 -4.785 -16.996 -59.009 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.072 -15.579 -60.904 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.728 -17.607 -59.013 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.703 -18.463 -60.542 1.00 0.00 H new ATOM 923 N LYS A 75 -3.582 -16.869 -63.049 1.00 0.00 N ATOM 924 CA LYS A 75 -4.117 -17.328 -64.332 1.00 0.00 C ATOM 925 C LYS A 75 -3.446 -18.612 -64.797 1.00 0.00 C ATOM 926 O LYS A 75 -3.442 -18.926 -65.995 1.00 0.00 O ATOM 927 CB LYS A 75 -3.945 -16.244 -65.395 1.00 0.00 C ATOM 928 CG LYS A 75 -4.831 -15.030 -65.194 1.00 0.00 C ATOM 929 CD LYS A 75 -6.300 -15.381 -65.358 1.00 0.00 C ATOM 930 CE LYS A 75 -7.179 -14.148 -65.229 1.00 0.00 C ATOM 931 NZ LYS A 75 -8.617 -14.473 -65.391 1.00 0.00 N ATOM 0 H LYS A 75 -2.690 -16.379 -63.117 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.177 -17.535 -64.188 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.904 -15.922 -65.404 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.155 -16.675 -66.374 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.663 -14.616 -64.200 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.558 -14.256 -65.911 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.459 -15.844 -66.332 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.587 -16.115 -64.605 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.019 -13.689 -64.254 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.886 -13.414 -65.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.182 -13.605 -65.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.775 -14.888 -66.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.904 -15.154 -64.659 1.00 0.00 H new ATOM 945 N CYS A 76 -2.894 -19.353 -63.868 1.00 0.00 N ATOM 946 CA CYS A 76 -2.231 -20.597 -64.193 1.00 0.00 C ATOM 947 C CYS A 76 -3.168 -21.782 -64.069 1.00 0.00 C ATOM 948 O CYS A 76 -4.228 -21.698 -63.438 1.00 0.00 O ATOM 949 CB CYS A 76 -1.014 -20.796 -63.312 1.00 0.00 C ATOM 950 SG CYS A 76 0.271 -19.577 -63.584 1.00 0.00 S ATOM 0 H CYS A 76 -2.890 -19.117 -62.876 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.911 -20.535 -65.233 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.322 -20.761 -62.267 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -0.605 -21.790 -63.490 1.00 0.00 H new ATOM 955 N ALA A 77 -2.773 -22.879 -64.679 1.00 0.00 N ATOM 956 CA ALA A 77 -3.541 -24.102 -64.642 1.00 0.00 C ATOM 957 C ALA A 77 -2.857 -25.099 -63.729 1.00 0.00 C ATOM 958 O ALA A 77 -1.726 -24.869 -63.305 1.00 0.00 O ATOM 959 CB ALA A 77 -3.691 -24.673 -66.042 1.00 0.00 C ATOM 0 H ALA A 77 -1.908 -22.947 -65.215 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.537 -23.891 -64.254 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.272 -25.594 -65.999 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.204 -23.950 -66.677 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.705 -24.885 -66.456 1.00 0.00 H new ATOM 965 N ALA A 78 -3.522 -26.218 -63.462 1.00 0.00 N ATOM 966 CA ALA A 78 -3.004 -27.246 -62.550 1.00 0.00 C ATOM 967 C ALA A 78 -1.631 -27.778 -62.981 1.00 0.00 C ATOM 968 O ALA A 78 -0.915 -28.391 -62.184 1.00 0.00 O ATOM 969 CB ALA A 78 -3.998 -28.387 -62.426 1.00 0.00 C ATOM 0 H ALA A 78 -4.431 -26.443 -63.866 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.871 -26.773 -61.577 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.602 -29.142 -61.747 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.942 -28.007 -62.035 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.165 -28.832 -63.407 1.00 0.00 H new ATOM 975 N GLY A 79 -1.277 -27.560 -64.235 1.00 0.00 N ATOM 976 CA GLY A 79 0.013 -27.988 -64.723 1.00 0.00 C ATOM 977 C GLY A 79 0.568 -27.047 -65.769 1.00 0.00 C ATOM 978 O GLY A 79 1.198 -27.481 -66.732 1.00 0.00 O ATOM 0 H GLY A 79 -1.863 -27.092 -64.926 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.712 -28.054 -63.889 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.074 -28.989 -65.146 1.00 0.00 H new ATOM 982 N SER A 80 0.325 -25.755 -65.596 1.00 0.00 N ATOM 983 CA SER A 80 0.805 -24.753 -66.545 1.00 0.00 C ATOM 984 C SER A 80 0.980 -23.394 -65.865 1.00 0.00 C ATOM 985 O SER A 80 -0.001 -22.763 -65.475 1.00 0.00 O ATOM 986 CB SER A 80 -0.173 -24.621 -67.721 1.00 0.00 C ATOM 987 OG SER A 80 -0.423 -25.883 -68.331 1.00 0.00 O ATOM 0 H SER A 80 -0.201 -25.374 -64.809 1.00 0.00 H new ATOM 0 HA SER A 80 1.775 -25.082 -66.919 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.112 -24.192 -67.370 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.235 -23.932 -68.460 1.00 0.00 H new ATOM 0 HG SER A 80 -1.050 -25.768 -69.075 1.00 0.00 H new ATOM 993 N CYS A 81 2.227 -22.959 -65.724 1.00 0.00 N ATOM 994 CA CYS A 81 2.538 -21.673 -65.115 1.00 0.00 C ATOM 995 C CYS A 81 2.748 -20.598 -66.183 1.00 0.00 C ATOM 996 O CYS A 81 3.431 -20.830 -67.184 1.00 0.00 O ATOM 997 CB CYS A 81 3.809 -21.782 -64.259 1.00 0.00 C ATOM 998 SG CYS A 81 3.568 -22.378 -62.570 1.00 0.00 S ATOM 0 H CYS A 81 3.046 -23.485 -66.027 1.00 0.00 H new ATOM 0 HA CYS A 81 1.693 -21.391 -64.486 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.509 -22.449 -64.763 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.280 -20.800 -64.214 1.00 0.00 H new ATOM 1003 N LYS A 82 2.153 -19.432 -65.975 1.00 0.00 N ATOM 1004 CA LYS A 82 2.339 -18.301 -66.880 1.00 0.00 C ATOM 1005 C LYS A 82 3.549 -17.494 -66.453 1.00 0.00 C ATOM 1006 O LYS A 82 4.488 -17.297 -67.221 1.00 0.00 O ATOM 1007 CB LYS A 82 1.104 -17.389 -66.895 1.00 0.00 C ATOM 1008 CG LYS A 82 0.126 -17.639 -68.037 1.00 0.00 C ATOM 1009 CD LYS A 82 -0.502 -19.015 -67.965 1.00 0.00 C ATOM 1010 CE LYS A 82 -1.668 -19.137 -68.934 1.00 0.00 C ATOM 1011 NZ LYS A 82 -2.762 -18.184 -68.606 1.00 0.00 N ATOM 0 H LYS A 82 1.535 -19.242 -65.186 1.00 0.00 H new ATOM 0 HA LYS A 82 2.489 -18.697 -67.884 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.573 -17.508 -65.951 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.438 -16.353 -66.944 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.658 -16.882 -68.013 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.646 -17.529 -68.989 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.247 -19.772 -68.196 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.848 -19.208 -66.949 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.317 -18.952 -69.949 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.055 -20.156 -68.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.612 -18.431 -69.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.975 -18.237 -67.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.464 -17.217 -68.847 1.00 0.00 H new ATOM 1025 N CYS A 83 3.518 -17.043 -65.219 1.00 0.00 N ATOM 1026 CA CYS A 83 4.588 -16.250 -64.651 1.00 0.00 C ATOM 1027 C CYS A 83 5.782 -17.125 -64.296 1.00 0.00 C ATOM 1028 O CYS A 83 6.929 -16.668 -64.292 1.00 0.00 O ATOM 1029 CB CYS A 83 4.072 -15.558 -63.408 1.00 0.00 C ATOM 1030 SG CYS A 83 3.173 -16.674 -62.315 1.00 0.00 S ATOM 0 H CYS A 83 2.745 -17.217 -64.576 1.00 0.00 H new ATOM 0 HA CYS A 83 4.915 -15.513 -65.385 1.00 0.00 H new ATOM 0 HB2 CYS A 83 4.910 -15.121 -62.865 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.418 -14.736 -63.699 1.00 0.00 H new ATOM 1035 N GLY A 84 5.505 -18.383 -64.002 1.00 0.00 N ATOM 1036 CA GLY A 84 6.555 -19.303 -63.633 1.00 0.00 C ATOM 1037 C GLY A 84 7.047 -19.076 -62.215 1.00 0.00 C ATOM 1038 O GLY A 84 8.250 -19.014 -61.972 1.00 0.00 O ATOM 0 H GLY A 84 4.567 -18.785 -64.013 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.190 -20.325 -63.729 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.389 -19.196 -64.326 1.00 0.00 H new ATOM 1042 N LYS A 85 6.119 -18.934 -61.282 1.00 0.00 N ATOM 1043 CA LYS A 85 6.469 -18.723 -59.882 1.00 0.00 C ATOM 1044 C LYS A 85 6.213 -19.982 -59.059 1.00 0.00 C ATOM 1045 O LYS A 85 6.288 -19.958 -57.831 1.00 0.00 O ATOM 1046 CB LYS A 85 5.682 -17.545 -59.298 1.00 0.00 C ATOM 1047 CG LYS A 85 6.104 -16.177 -59.826 1.00 0.00 C ATOM 1048 CD LYS A 85 7.517 -15.811 -59.378 1.00 0.00 C ATOM 1049 CE LYS A 85 7.851 -14.378 -59.729 1.00 0.00 C ATOM 1050 NZ LYS A 85 6.917 -13.430 -59.080 1.00 0.00 N ATOM 0 H LYS A 85 5.116 -18.961 -61.467 1.00 0.00 H new ATOM 0 HA LYS A 85 7.533 -18.491 -59.836 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.623 -17.691 -59.510 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.794 -17.552 -58.214 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.056 -16.176 -60.915 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.403 -15.419 -59.475 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.608 -15.955 -58.301 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.236 -16.480 -59.851 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.872 -14.155 -59.419 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.810 -14.248 -60.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.451 -12.623 -58.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.226 -13.090 -59.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.417 -13.911 -58.305 1.00 0.00 H new ATOM 1064 N GLY A 86 5.930 -21.081 -59.744 1.00 0.00 N ATOM 1065 CA GLY A 86 5.653 -22.330 -59.060 1.00 0.00 C ATOM 1066 C GLY A 86 4.247 -22.367 -58.507 1.00 0.00 C ATOM 1067 O GLY A 86 3.984 -22.993 -57.477 1.00 0.00 O ATOM 0 H GLY A 86 5.887 -21.131 -60.762 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.794 -23.162 -59.750 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.367 -22.466 -58.248 1.00 0.00 H new ATOM 1071 N CYS A 87 3.349 -21.699 -59.191 1.00 0.00 N ATOM 1072 CA CYS A 87 1.972 -21.609 -58.777 1.00 0.00 C ATOM 1073 C CYS A 87 1.046 -22.142 -59.863 1.00 0.00 C ATOM 1074 O CYS A 87 0.645 -21.422 -60.761 1.00 0.00 O ATOM 1075 CB CYS A 87 1.642 -20.160 -58.469 1.00 0.00 C ATOM 1076 SG CYS A 87 2.253 -19.012 -59.716 1.00 0.00 S ATOM 0 H CYS A 87 3.556 -21.200 -60.056 1.00 0.00 H new ATOM 0 HA CYS A 87 1.826 -22.217 -57.884 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.561 -20.051 -58.383 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.067 -19.895 -57.501 1.00 0.00 H new ATOM 1081 N THR A 88 0.721 -23.404 -59.783 1.00 0.00 N ATOM 1082 CA THR A 88 -0.140 -24.008 -60.763 1.00 0.00 C ATOM 1083 C THR A 88 -1.606 -23.874 -60.360 1.00 0.00 C ATOM 1084 O THR A 88 -2.310 -24.865 -60.155 1.00 0.00 O ATOM 1085 CB THR A 88 0.234 -25.478 -60.988 1.00 0.00 C ATOM 1086 OG1 THR A 88 0.386 -26.139 -59.721 1.00 0.00 O ATOM 1087 CG2 THR A 88 1.534 -25.582 -61.785 1.00 0.00 C ATOM 0 H THR A 88 1.040 -24.035 -59.048 1.00 0.00 H new ATOM 0 HA THR A 88 -0.001 -23.477 -61.705 1.00 0.00 H new ATOM 0 HB THR A 88 -0.563 -25.960 -61.555 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.623 -27.078 -59.868 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.785 -26.632 -61.936 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.407 -25.096 -62.753 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.338 -25.092 -61.236 1.00 0.00 H new ATOM 1095 N GLY A 89 -2.041 -22.638 -60.219 1.00 0.00 N ATOM 1096 CA GLY A 89 -3.411 -22.358 -59.854 1.00 0.00 C ATOM 1097 C GLY A 89 -3.495 -21.289 -58.784 1.00 0.00 C ATOM 1098 O GLY A 89 -2.517 -21.034 -58.103 1.00 0.00 O ATOM 0 H GLY A 89 -1.461 -21.810 -60.353 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.965 -22.035 -60.736 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.887 -23.271 -59.495 1.00 0.00 H new ATOM 1102 N PRO A 90 -4.662 -20.648 -58.616 1.00 0.00 N ATOM 1103 CA PRO A 90 -4.856 -19.577 -57.622 1.00 0.00 C ATOM 1104 C PRO A 90 -4.631 -20.054 -56.191 1.00 0.00 C ATOM 1105 O PRO A 90 -3.944 -19.398 -55.415 1.00 0.00 O ATOM 1106 CB PRO A 90 -6.315 -19.157 -57.823 1.00 0.00 C ATOM 1107 CG PRO A 90 -6.949 -20.310 -58.514 1.00 0.00 C ATOM 1108 CD PRO A 90 -5.878 -20.904 -59.379 1.00 0.00 C ATOM 0 HA PRO A 90 -4.142 -18.766 -57.763 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.802 -18.950 -56.870 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.387 -18.249 -58.421 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.322 -21.040 -57.796 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.801 -19.988 -59.112 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.036 -21.970 -59.542 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.845 -20.433 -60.361 1.00 0.00 H new ATOM 1116 N ASP A 91 -5.206 -21.201 -55.847 1.00 0.00 N ATOM 1117 CA ASP A 91 -5.029 -21.763 -54.512 1.00 0.00 C ATOM 1118 C ASP A 91 -3.602 -22.233 -54.327 1.00 0.00 C ATOM 1119 O ASP A 91 -3.059 -22.195 -53.225 1.00 0.00 O ATOM 1120 CB ASP A 91 -6.006 -22.914 -54.256 1.00 0.00 C ATOM 1121 CG ASP A 91 -7.417 -22.434 -53.991 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -8.183 -22.268 -54.960 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -7.767 -22.218 -52.808 1.00 0.00 O ATOM 0 H ASP A 91 -5.794 -21.757 -56.468 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.242 -20.978 -53.787 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.009 -23.581 -55.118 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.659 -23.497 -53.403 1.00 0.00 H new ATOM 1128 N SER A 92 -2.989 -22.654 -55.421 1.00 0.00 N ATOM 1129 CA SER A 92 -1.611 -23.102 -55.402 1.00 0.00 C ATOM 1130 C SER A 92 -0.660 -21.902 -55.437 1.00 0.00 C ATOM 1131 O SER A 92 0.549 -22.041 -55.222 1.00 0.00 O ATOM 1132 CB SER A 92 -1.348 -24.026 -56.590 1.00 0.00 C ATOM 1133 OG SER A 92 -2.313 -25.064 -56.643 1.00 0.00 O ATOM 0 H SER A 92 -3.431 -22.694 -56.340 1.00 0.00 H new ATOM 0 HA SER A 92 -1.432 -23.655 -54.480 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.374 -23.452 -57.516 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.349 -24.455 -56.509 1.00 0.00 H new ATOM 0 HG SER A 92 -2.128 -25.644 -57.411 1.00 0.00 H new ATOM 1139 N CYS A 93 -1.216 -20.733 -55.711 1.00 0.00 N ATOM 1140 CA CYS A 93 -0.454 -19.513 -55.748 1.00 0.00 C ATOM 1141 C CYS A 93 -0.275 -18.989 -54.344 1.00 0.00 C ATOM 1142 O CYS A 93 -1.186 -18.397 -53.760 1.00 0.00 O ATOM 1143 CB CYS A 93 -1.149 -18.461 -56.635 1.00 0.00 C ATOM 1144 SG CYS A 93 -0.263 -16.882 -56.786 1.00 0.00 S ATOM 0 H CYS A 93 -2.208 -20.612 -55.913 1.00 0.00 H new ATOM 0 HA CYS A 93 0.525 -19.719 -56.180 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.286 -18.881 -57.632 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.143 -18.266 -56.232 1.00 0.00 H new ATOM 1149 N LYS A 94 0.881 -19.252 -53.781 1.00 0.00 N ATOM 1150 CA LYS A 94 1.198 -18.780 -52.458 1.00 0.00 C ATOM 1151 C LYS A 94 1.989 -17.473 -52.573 1.00 0.00 C ATOM 1152 O LYS A 94 2.628 -17.024 -51.622 1.00 0.00 O ATOM 1153 CB LYS A 94 1.979 -19.863 -51.667 1.00 0.00 C ATOM 1154 CG LYS A 94 1.212 -21.194 -51.520 1.00 0.00 C ATOM 1155 CD LYS A 94 1.966 -22.234 -50.665 1.00 0.00 C ATOM 1156 CE LYS A 94 2.148 -21.758 -49.226 1.00 0.00 C ATOM 1157 NZ LYS A 94 0.848 -21.471 -48.562 1.00 0.00 N ATOM 0 H LYS A 94 1.622 -19.795 -54.225 1.00 0.00 H new ATOM 0 HA LYS A 94 0.281 -18.582 -51.903 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.928 -20.054 -52.168 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.214 -19.477 -50.675 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.239 -20.998 -51.069 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.027 -21.611 -52.510 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.417 -23.176 -50.670 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.942 -22.431 -51.109 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.684 -22.518 -48.658 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.765 -20.859 -49.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.997 -21.366 -47.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.449 -20.591 -48.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.188 -22.255 -48.737 1.00 0.00 H new ATOM 1171 N CYS A 95 1.905 -16.862 -53.758 1.00 0.00 N ATOM 1172 CA CYS A 95 2.584 -15.612 -54.055 1.00 0.00 C ATOM 1173 C CYS A 95 1.628 -14.423 -53.856 1.00 0.00 C ATOM 1174 O CYS A 95 0.439 -14.497 -54.204 1.00 0.00 O ATOM 1175 CB CYS A 95 3.093 -15.625 -55.508 1.00 0.00 C ATOM 1176 SG CYS A 95 4.064 -17.096 -55.965 1.00 0.00 S ATOM 0 H CYS A 95 1.359 -17.228 -54.538 1.00 0.00 H new ATOM 0 HA CYS A 95 3.429 -15.505 -53.375 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.237 -15.550 -56.179 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.705 -14.738 -55.671 1.00 0.00 H new ATOM 1181 N ASP A 96 2.149 -13.334 -53.301 1.00 0.00 N ATOM 1182 CA ASP A 96 1.352 -12.127 -53.054 1.00 0.00 C ATOM 1183 C ASP A 96 1.210 -11.287 -54.341 1.00 0.00 C ATOM 1184 O ASP A 96 1.121 -11.839 -55.442 1.00 0.00 O ATOM 1185 CB ASP A 96 1.983 -11.295 -51.919 1.00 0.00 C ATOM 1186 CG ASP A 96 3.383 -10.797 -52.238 1.00 0.00 C ATOM 1187 OD1 ASP A 96 4.353 -11.490 -51.903 1.00 0.00 O ATOM 1188 OD2 ASP A 96 3.511 -9.702 -52.824 1.00 0.00 O ATOM 0 H ASP A 96 3.124 -13.258 -53.011 1.00 0.00 H new ATOM 0 HA ASP A 96 0.352 -12.431 -52.744 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.341 -10.440 -51.706 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.019 -11.900 -51.013 1.00 0.00 H new ATOM 1193 N ARG A 97 1.174 -9.958 -54.204 1.00 0.00 N ATOM 1194 CA ARG A 97 1.046 -9.069 -55.360 1.00 0.00 C ATOM 1195 C ARG A 97 2.332 -9.064 -56.175 1.00 0.00 C ATOM 1196 O ARG A 97 2.377 -8.529 -57.283 1.00 0.00 O ATOM 1197 CB ARG A 97 0.703 -7.642 -54.922 1.00 0.00 C ATOM 1198 CG ARG A 97 1.881 -6.839 -54.404 1.00 0.00 C ATOM 1199 CD ARG A 97 1.449 -5.440 -54.007 1.00 0.00 C ATOM 1200 NE ARG A 97 2.590 -4.546 -53.815 1.00 0.00 N ATOM 1201 CZ ARG A 97 2.691 -3.634 -52.840 1.00 0.00 C ATOM 1202 NH1 ARG A 97 1.757 -3.543 -51.899 1.00 0.00 N ATOM 1203 NH2 ARG A 97 3.741 -2.827 -52.799 1.00 0.00 N ATOM 0 H ARG A 97 1.232 -9.476 -53.307 1.00 0.00 H new ATOM 0 HA ARG A 97 0.233 -9.445 -55.981 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.263 -7.113 -55.767 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.059 -7.688 -54.144 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.322 -7.345 -53.545 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.653 -6.782 -55.171 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.794 -5.031 -54.776 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.868 -5.488 -53.086 1.00 0.00 H new ATOM 0 HE ARG A 97 3.366 -4.623 -54.472 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.954 -4.171 -51.915 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.843 -2.845 -51.161 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.470 -2.902 -53.509 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.821 -2.131 -52.057 1.00 0.00 H new ATOM 1217 N SER A 98 3.368 -9.679 -55.623 1.00 0.00 N ATOM 1218 CA SER A 98 4.665 -9.776 -56.275 1.00 0.00 C ATOM 1219 C SER A 98 4.631 -10.840 -57.373 1.00 0.00 C ATOM 1220 O SER A 98 5.572 -11.614 -57.546 1.00 0.00 O ATOM 1221 CB SER A 98 5.734 -10.117 -55.236 1.00 0.00 C ATOM 1222 OG SER A 98 5.738 -9.161 -54.180 1.00 0.00 O ATOM 0 H SER A 98 3.332 -10.126 -54.707 1.00 0.00 H new ATOM 0 HA SER A 98 4.906 -8.818 -56.736 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.549 -11.112 -54.831 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.714 -10.144 -55.712 1.00 0.00 H new ATOM 0 HG SER A 98 4.885 -9.200 -53.700 1.00 0.00 H new ATOM 1228 N CYS A 99 3.549 -10.852 -58.112 1.00 0.00 N ATOM 1229 CA CYS A 99 3.340 -11.796 -59.167 1.00 0.00 C ATOM 1230 C CYS A 99 2.788 -11.061 -60.377 1.00 0.00 C ATOM 1231 O CYS A 99 1.728 -10.444 -60.302 1.00 0.00 O ATOM 1232 CB CYS A 99 2.354 -12.861 -58.707 1.00 0.00 C ATOM 1233 SG CYS A 99 2.658 -14.499 -59.372 1.00 0.00 S ATOM 0 H CYS A 99 2.780 -10.193 -57.990 1.00 0.00 H new ATOM 0 HA CYS A 99 4.281 -12.279 -59.431 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.379 -12.915 -57.619 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.347 -12.551 -58.987 1.00 0.00 H new ATOM 1238 N SER A 100 3.504 -11.122 -61.480 1.00 0.00 N ATOM 1239 CA SER A 100 3.118 -10.410 -62.688 1.00 0.00 C ATOM 1240 C SER A 100 1.846 -10.979 -63.309 1.00 0.00 C ATOM 1241 O SER A 100 1.230 -10.343 -64.156 1.00 0.00 O ATOM 1242 CB SER A 100 4.259 -10.440 -63.708 1.00 0.00 C ATOM 1243 OG SER A 100 3.939 -9.675 -64.861 1.00 0.00 O ATOM 0 H SER A 100 4.365 -11.662 -61.568 1.00 0.00 H new ATOM 0 HA SER A 100 2.911 -9.378 -62.404 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.169 -10.050 -63.251 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.464 -11.471 -63.998 1.00 0.00 H new ATOM 0 HG SER A 100 2.965 -9.606 -64.948 1.00 0.00 H new ATOM 1249 N CYS A 101 1.446 -12.164 -62.882 1.00 0.00 N ATOM 1250 CA CYS A 101 0.270 -12.793 -63.441 1.00 0.00 C ATOM 1251 C CYS A 101 -1.011 -12.210 -62.828 1.00 0.00 C ATOM 1252 O CYS A 101 -2.113 -12.461 -63.317 1.00 0.00 O ATOM 1253 CB CYS A 101 0.327 -14.308 -63.245 1.00 0.00 C ATOM 1254 SG CYS A 101 -0.558 -15.250 -64.513 1.00 0.00 S ATOM 0 H CYS A 101 1.916 -12.704 -62.156 1.00 0.00 H new ATOM 0 HA CYS A 101 0.251 -12.587 -64.511 1.00 0.00 H new ATOM 0 HB2 CYS A 101 1.370 -14.623 -63.235 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -0.090 -14.553 -62.268 1.00 0.00 H new ATOM 1259 N LYS A 102 -0.863 -11.418 -61.761 1.00 0.00 N ATOM 1260 CA LYS A 102 -2.021 -10.800 -61.117 1.00 0.00 C ATOM 1261 C LYS A 102 -2.666 -9.776 -62.044 1.00 0.00 C ATOM 1262 O LYS A 102 -2.115 -8.639 -62.147 1.00 0.00 O ATOM 1263 CB LYS A 102 -1.631 -10.132 -59.785 1.00 0.00 C ATOM 1264 CG LYS A 102 -1.019 -11.080 -58.764 1.00 0.00 C ATOM 1265 CD LYS A 102 -1.868 -12.328 -58.586 1.00 0.00 C ATOM 1266 CE LYS A 102 -1.228 -13.325 -57.618 1.00 0.00 C ATOM 1267 NZ LYS A 102 -1.370 -12.908 -56.199 1.00 0.00 N ATOM 0 H LYS A 102 0.035 -11.193 -61.332 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.741 -11.590 -60.904 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.922 -9.329 -59.989 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -2.518 -9.671 -59.350 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.016 -11.363 -59.084 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.916 -10.569 -57.807 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.854 -12.046 -58.216 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.016 -12.807 -59.554 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -1.687 -14.304 -57.754 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.170 -13.432 -57.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.759 -13.696 -55.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -0.438 -12.643 -55.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.012 -12.092 -56.140 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 200 2.182 -16.880 -57.989 1.00 0.00 CD HETATM 1283 CD CD A 201 2.733 -19.809 -62.323 1.00 0.00 CD HETATM 1284 CD CD A 202 0.467 -17.087 -62.673 1.00 0.00 CD HETATM 1285 CD CD A 203 -6.870 -6.966 -46.315 1.00 0.00 CD HETATM 1286 CD CD A 204 -9.824 -10.359 -47.707 1.00 0.00 CD HETATM 1287 CD CD A 205 -9.381 -6.720 -50.126 1.00 0.00 CD HETATM 1288 CD CD A 206 -3.765 -2.559 -27.090 1.00 0.00 CD HETATM 1289 CD CD A 207 -3.825 1.095 -29.145 1.00 0.00 CD HETATM 1290 CD CD A 208 -1.459 -2.088 -30.263 1.00 0.00 CD