USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 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 9 SER OG : rot 57:sc=-0.00375 USER MOD Set 1.2: A 29 MET CE :methyl -115:sc= -0.793 (180deg=-1.09!) USER MOD Set 2.1: A 10 SER OG : rot 180:sc= 1.1 USER MOD Set 2.2: A 14 THR OG1 : rot -178:sc= 1.21 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -128:sc= -11.7! USER MOD Single : A 13 LYS NZ :NH3+ -139:sc= 0.484 (180deg=-0.24) USER MOD Single : A 15 TYR OH : rot 165:sc= -7.44! USER MOD Single : A 16 CYS SG : rot 150:sc= -1.92! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 76:sc=0.000899 USER MOD Single : A 34 GLN : amide:sc= -1.88 K(o=-1.9,f=-3.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -1.43 USER MOD Single : A 43 SER OG : rot 180:sc= -2.22! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 142:sc= -11.5! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.81! C(o=-1.8!,f=-2.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= -0.787 (180deg=-2.68!) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 2 10.357 -5.190 12.453 1.00 0.00 N ATOM 9 CA GLU A 2 9.228 -4.379 12.876 1.00 0.00 C ATOM 10 C GLU A 2 8.856 -3.375 11.783 1.00 0.00 C ATOM 11 O GLU A 2 7.808 -2.735 11.854 1.00 0.00 O ATOM 12 CB GLU A 2 9.529 -3.666 14.196 1.00 0.00 C ATOM 13 CG GLU A 2 8.846 -4.372 15.369 1.00 0.00 C ATOM 14 CD GLU A 2 7.598 -3.608 15.818 1.00 0.00 C ATOM 15 OE1 GLU A 2 6.564 -3.653 15.135 1.00 0.00 O ATOM 16 OE2 GLU A 2 7.730 -2.949 16.919 1.00 0.00 O ATOM 0 HA GLU A 2 8.375 -5.037 13.043 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.606 -3.638 14.361 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.188 -2.632 14.141 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.571 -5.386 15.078 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.543 -4.458 16.202 1.00 0.00 H new ATOM 24 N ALA A 3 9.736 -3.269 10.797 1.00 0.00 N ATOM 25 CA ALA A 3 9.513 -2.354 9.691 1.00 0.00 C ATOM 26 C ALA A 3 8.677 -3.053 8.617 1.00 0.00 C ATOM 27 O ALA A 3 7.819 -2.432 7.991 1.00 0.00 O ATOM 28 CB ALA A 3 10.859 -1.864 9.155 1.00 0.00 C ATOM 0 H ALA A 3 10.604 -3.802 10.742 1.00 0.00 H new ATOM 0 HA ALA A 3 8.956 -1.478 10.024 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.692 -1.177 8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.401 -1.349 9.948 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.445 -2.716 8.809 1.00 0.00 H new ATOM 34 N VAL A 4 8.957 -4.335 8.437 1.00 0.00 N ATOM 35 CA VAL A 4 8.241 -5.126 7.449 1.00 0.00 C ATOM 36 C VAL A 4 6.742 -4.844 7.566 1.00 0.00 C ATOM 37 O VAL A 4 6.008 -4.956 6.586 1.00 0.00 O ATOM 38 CB VAL A 4 8.586 -6.607 7.615 1.00 0.00 C ATOM 39 CG1 VAL A 4 7.416 -7.377 8.230 1.00 0.00 C ATOM 40 CG2 VAL A 4 9.007 -7.224 6.279 1.00 0.00 C ATOM 0 H VAL A 4 9.669 -4.846 8.958 1.00 0.00 H new ATOM 0 HA VAL A 4 8.547 -4.846 6.441 1.00 0.00 H new ATOM 0 HB VAL A 4 9.431 -6.680 8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.688 -8.427 8.337 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.182 -6.961 9.210 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.544 -7.292 7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.247 -8.277 6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.190 -7.133 5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.884 -6.701 5.897 1.00 0.00 H new ATOM 50 N ILE A 5 6.332 -4.485 8.774 1.00 0.00 N ATOM 51 CA ILE A 5 4.934 -4.187 9.031 1.00 0.00 C ATOM 52 C ILE A 5 4.694 -2.687 8.848 1.00 0.00 C ATOM 53 O ILE A 5 3.981 -2.275 7.935 1.00 0.00 O ATOM 54 CB ILE A 5 4.519 -4.712 10.407 1.00 0.00 C ATOM 55 CG1 ILE A 5 5.433 -5.853 10.857 1.00 0.00 C ATOM 56 CG2 ILE A 5 3.045 -5.122 10.415 1.00 0.00 C ATOM 57 CD1 ILE A 5 6.906 -5.451 10.748 1.00 0.00 C ATOM 0 H ILE A 5 6.944 -4.394 9.585 1.00 0.00 H new ATOM 0 HA ILE A 5 4.297 -4.702 8.312 1.00 0.00 H new ATOM 0 HB ILE A 5 4.633 -3.904 11.130 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.202 -6.124 11.887 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.247 -6.736 10.245 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.775 -5.492 11.404 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.426 -4.259 10.169 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.882 -5.908 9.677 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.534 -6.280 11.074 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.140 -5.204 9.713 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.094 -4.583 11.380 1.00 0.00 H new ATOM 69 N LYS A 6 5.305 -1.910 9.732 1.00 0.00 N ATOM 70 CA LYS A 6 5.167 -0.465 9.679 1.00 0.00 C ATOM 71 C LYS A 6 5.471 0.021 8.261 1.00 0.00 C ATOM 72 O LYS A 6 5.088 1.127 7.884 1.00 0.00 O ATOM 73 CB LYS A 6 6.033 0.195 10.754 1.00 0.00 C ATOM 74 CG LYS A 6 5.316 1.396 11.374 1.00 0.00 C ATOM 75 CD LYS A 6 4.206 0.941 12.324 1.00 0.00 C ATOM 76 CE LYS A 6 4.659 1.037 13.782 1.00 0.00 C ATOM 77 NZ LYS A 6 3.914 0.071 14.621 1.00 0.00 N ATOM 0 H LYS A 6 5.896 -2.255 10.488 1.00 0.00 H new ATOM 0 HA LYS A 6 4.141 -0.172 9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.271 -0.532 11.531 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.979 0.517 10.318 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.033 2.012 11.916 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.893 2.018 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.319 1.556 12.174 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.924 -0.086 12.094 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.729 0.838 13.851 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.499 2.049 14.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.234 0.149 15.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.896 0.279 14.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.088 -0.895 14.276 1.00 0.00 H new ATOM 90 N VAL A 7 6.157 -0.831 7.512 1.00 0.00 N ATOM 91 CA VAL A 7 6.516 -0.502 6.143 1.00 0.00 C ATOM 92 C VAL A 7 5.246 -0.409 5.295 1.00 0.00 C ATOM 93 O VAL A 7 4.823 0.684 4.922 1.00 0.00 O ATOM 94 CB VAL A 7 7.520 -1.524 5.606 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.947 -2.941 5.669 1.00 0.00 C ATOM 96 CG2 VAL A 7 7.954 -1.171 4.183 1.00 0.00 C ATOM 0 H VAL A 7 6.473 -1.748 7.827 1.00 0.00 H new ATOM 0 HA VAL A 7 7.007 0.470 6.100 1.00 0.00 H new ATOM 0 HB VAL A 7 8.404 -1.492 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.681 -3.648 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.712 -3.193 6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.040 -2.994 5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.668 -1.913 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.082 -1.161 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.422 -0.187 4.179 1.00 0.00 H new ATOM 106 N ILE A 8 4.674 -1.571 5.015 1.00 0.00 N ATOM 107 CA ILE A 8 3.461 -1.634 4.218 1.00 0.00 C ATOM 108 C ILE A 8 2.490 -0.548 4.686 1.00 0.00 C ATOM 109 O ILE A 8 1.817 0.081 3.872 1.00 0.00 O ATOM 110 CB ILE A 8 2.869 -3.045 4.253 1.00 0.00 C ATOM 111 CG1 ILE A 8 2.564 -3.547 2.841 1.00 0.00 C ATOM 112 CG2 ILE A 8 1.639 -3.101 5.160 1.00 0.00 C ATOM 113 CD1 ILE A 8 1.367 -4.500 2.845 1.00 0.00 C ATOM 0 H ILE A 8 5.028 -2.476 5.326 1.00 0.00 H new ATOM 0 HA ILE A 8 3.684 -1.432 3.170 1.00 0.00 H new ATOM 0 HB ILE A 8 3.614 -3.717 4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.357 -2.700 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.438 -4.057 2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.238 -4.115 5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.921 -2.815 6.173 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.880 -2.413 4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.171 -4.842 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.587 -5.358 3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.489 -3.980 3.228 1.00 0.00 H new ATOM 125 N SER A 9 2.449 -0.362 5.998 1.00 0.00 N ATOM 126 CA SER A 9 1.572 0.637 6.584 1.00 0.00 C ATOM 127 C SER A 9 2.131 2.038 6.330 1.00 0.00 C ATOM 128 O SER A 9 1.568 2.803 5.548 1.00 0.00 O ATOM 129 CB SER A 9 1.395 0.400 8.086 1.00 0.00 C ATOM 130 OG SER A 9 2.001 -0.818 8.509 1.00 0.00 O ATOM 0 H SER A 9 3.009 -0.886 6.671 1.00 0.00 H new ATOM 0 HA SER A 9 0.593 0.553 6.112 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.831 1.233 8.638 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.332 0.379 8.327 1.00 0.00 H new ATOM 0 HG SER A 9 2.953 -0.808 8.277 1.00 0.00 H new ATOM 136 N SER A 10 3.233 2.333 7.006 1.00 0.00 N ATOM 137 CA SER A 10 3.874 3.629 6.863 1.00 0.00 C ATOM 138 C SER A 10 4.171 3.906 5.388 1.00 0.00 C ATOM 139 O SER A 10 3.919 5.005 4.896 1.00 0.00 O ATOM 140 CB SER A 10 5.161 3.700 7.686 1.00 0.00 C ATOM 141 OG SER A 10 5.320 4.965 8.321 1.00 0.00 O ATOM 0 H SER A 10 3.697 1.697 7.654 1.00 0.00 H new ATOM 0 HA SER A 10 3.192 4.392 7.239 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.152 2.914 8.441 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.017 3.510 7.038 1.00 0.00 H new ATOM 0 HG SER A 10 6.153 4.969 8.838 1.00 0.00 H new ATOM 147 N ALA A 11 4.703 2.890 4.723 1.00 0.00 N ATOM 148 CA ALA A 11 5.037 3.011 3.314 1.00 0.00 C ATOM 149 C ALA A 11 3.819 3.530 2.548 1.00 0.00 C ATOM 150 O ALA A 11 3.890 4.568 1.892 1.00 0.00 O ATOM 151 CB ALA A 11 5.524 1.659 2.788 1.00 0.00 C ATOM 0 H ALA A 11 4.911 1.980 5.134 1.00 0.00 H new ATOM 0 HA ALA A 11 5.846 3.728 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.775 1.749 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.408 1.349 3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.737 0.915 2.912 1.00 0.00 H new ATOM 157 N CYS A 12 2.729 2.785 2.658 1.00 0.00 N ATOM 158 CA CYS A 12 1.497 3.158 1.984 1.00 0.00 C ATOM 159 C CYS A 12 1.409 4.685 1.953 1.00 0.00 C ATOM 160 O CYS A 12 1.204 5.277 0.894 1.00 0.00 O ATOM 161 CB CYS A 12 0.273 2.529 2.654 1.00 0.00 C ATOM 162 SG CYS A 12 -1.260 3.199 1.911 1.00 0.00 S ATOM 0 H CYS A 12 2.673 1.925 3.204 1.00 0.00 H new ATOM 0 HA CYS A 12 1.508 2.775 0.963 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.300 1.446 2.537 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.288 2.734 3.724 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.048 3.627 2.853 1.00 0.00 H new ATOM 168 N LYS A 13 1.569 5.279 3.126 1.00 0.00 N ATOM 169 CA LYS A 13 1.510 6.726 3.246 1.00 0.00 C ATOM 170 C LYS A 13 2.930 7.295 3.201 1.00 0.00 C ATOM 171 O LYS A 13 3.281 8.022 2.273 1.00 0.00 O ATOM 172 CB LYS A 13 0.726 7.128 4.497 1.00 0.00 C ATOM 173 CG LYS A 13 -0.173 8.334 4.217 1.00 0.00 C ATOM 174 CD LYS A 13 0.053 9.438 5.251 1.00 0.00 C ATOM 175 CE LYS A 13 0.204 8.851 6.656 1.00 0.00 C ATOM 176 NZ LYS A 13 1.571 9.089 7.172 1.00 0.00 N ATOM 0 H LYS A 13 1.739 4.785 4.002 1.00 0.00 H new ATOM 0 HA LYS A 13 0.966 7.157 2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.119 6.288 4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.419 7.366 5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.030 8.719 3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.218 8.025 4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.947 10.006 4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.784 10.135 5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.528 9.302 7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.002 7.781 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.908 8.239 7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.209 9.303 6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.558 9.892 7.832 1.00 0.00 H new ATOM 189 N THR A 14 3.707 6.943 4.215 1.00 0.00 N ATOM 190 CA THR A 14 5.080 7.410 4.302 1.00 0.00 C ATOM 191 C THR A 14 5.790 7.232 2.959 1.00 0.00 C ATOM 192 O THR A 14 6.645 8.037 2.593 1.00 0.00 O ATOM 193 CB THR A 14 5.760 6.665 5.452 1.00 0.00 C ATOM 194 OG1 THR A 14 4.854 6.808 6.543 1.00 0.00 O ATOM 195 CG2 THR A 14 7.034 7.365 5.932 1.00 0.00 C ATOM 0 H THR A 14 3.412 6.340 4.983 1.00 0.00 H new ATOM 0 HA THR A 14 5.122 8.478 4.517 1.00 0.00 H new ATOM 0 HB THR A 14 6.001 5.651 5.134 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.228 6.374 7.338 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.477 6.795 6.749 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.745 7.431 5.109 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.789 8.368 6.281 1.00 0.00 H new ATOM 203 N TYR A 15 5.410 6.172 2.261 1.00 0.00 N ATOM 204 CA TYR A 15 6.000 5.878 0.966 1.00 0.00 C ATOM 205 C TYR A 15 5.754 7.021 -0.021 1.00 0.00 C ATOM 206 O TYR A 15 6.675 7.761 -0.361 1.00 0.00 O ATOM 207 CB TYR A 15 5.294 4.619 0.457 1.00 0.00 C ATOM 208 CG TYR A 15 6.150 3.760 -0.476 1.00 0.00 C ATOM 209 CD1 TYR A 15 7.170 4.338 -1.205 1.00 0.00 C ATOM 210 CD2 TYR A 15 5.903 2.407 -0.589 1.00 0.00 C ATOM 211 CE1 TYR A 15 7.975 3.530 -2.083 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.708 1.599 -1.467 1.00 0.00 C ATOM 213 CZ TYR A 15 7.705 2.200 -2.171 1.00 0.00 C ATOM 214 OH TYR A 15 8.465 1.436 -3.000 1.00 0.00 O ATOM 0 H TYR A 15 4.701 5.506 2.568 1.00 0.00 H new ATOM 0 HA TYR A 15 7.078 5.745 1.057 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.989 4.015 1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.385 4.912 -0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.364 5.397 -1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.106 1.954 -0.019 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.776 3.970 -2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.525 0.539 -1.565 1.00 0.00 H new ATOM 0 HH TYR A 15 8.327 0.489 -2.790 1.00 0.00 H new ATOM 224 N CYS A 16 4.506 7.128 -0.453 1.00 0.00 N ATOM 225 CA CYS A 16 4.127 8.168 -1.395 1.00 0.00 C ATOM 226 C CYS A 16 3.363 9.252 -0.631 1.00 0.00 C ATOM 227 O CYS A 16 3.680 10.435 -0.742 1.00 0.00 O ATOM 228 CB CYS A 16 3.309 7.606 -2.559 1.00 0.00 C ATOM 229 SG CYS A 16 2.006 8.798 -3.041 1.00 0.00 S ATOM 0 H CYS A 16 3.744 6.512 -0.168 1.00 0.00 H new ATOM 0 HA CYS A 16 5.022 8.602 -1.842 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.961 7.404 -3.409 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.857 6.657 -2.272 1.00 0.00 H new ATOM 0 HG CYS A 16 1.755 8.677 -4.311 1.00 0.00 H new ATOM 235 N GLY A 17 2.371 8.809 0.128 1.00 0.00 N ATOM 236 CA GLY A 17 1.560 9.726 0.910 1.00 0.00 C ATOM 237 C GLY A 17 2.417 10.495 1.916 1.00 0.00 C ATOM 238 O GLY A 17 1.963 11.477 2.502 1.00 0.00 O ATOM 0 H GLY A 17 2.111 7.827 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.055 10.428 0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.784 9.171 1.437 1.00 0.00 H new ATOM 242 N LYS A 18 3.642 10.020 2.087 1.00 0.00 N ATOM 243 CA LYS A 18 4.567 10.650 3.013 1.00 0.00 C ATOM 244 C LYS A 18 4.041 10.491 4.441 1.00 0.00 C ATOM 245 O LYS A 18 3.063 9.781 4.670 1.00 0.00 O ATOM 246 CB LYS A 18 4.821 12.104 2.610 1.00 0.00 C ATOM 247 CG LYS A 18 6.319 12.414 2.588 1.00 0.00 C ATOM 248 CD LYS A 18 6.594 13.746 1.887 1.00 0.00 C ATOM 249 CE LYS A 18 7.833 14.427 2.471 1.00 0.00 C ATOM 250 NZ LYS A 18 7.531 15.829 2.836 1.00 0.00 N ATOM 0 H LYS A 18 4.015 9.206 1.599 1.00 0.00 H new ATOM 0 HA LYS A 18 5.539 10.158 2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.393 12.292 1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.318 12.772 3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.701 12.450 3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.852 11.613 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.737 13.577 0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.730 14.402 1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.174 13.882 3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.646 14.401 1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.383 16.276 3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.227 16.350 1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.770 15.847 3.545 1.00 0.00 H new ATOM 334 N LYS A 24 -6.209 8.013 3.833 1.00 0.00 N ATOM 335 CA LYS A 24 -6.132 6.594 3.529 1.00 0.00 C ATOM 336 C LYS A 24 -4.690 6.115 3.714 1.00 0.00 C ATOM 337 O LYS A 24 -4.131 5.464 2.833 1.00 0.00 O ATOM 338 CB LYS A 24 -6.700 6.313 2.137 1.00 0.00 C ATOM 339 CG LYS A 24 -8.031 7.038 1.931 1.00 0.00 C ATOM 340 CD LYS A 24 -7.912 8.104 0.840 1.00 0.00 C ATOM 341 CE LYS A 24 -9.244 8.295 0.112 1.00 0.00 C ATOM 342 NZ LYS A 24 -10.049 9.346 0.773 1.00 0.00 N ATOM 0 HA LYS A 24 -6.750 6.022 4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.986 6.633 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.843 5.240 2.008 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.803 6.318 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.344 7.503 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.597 9.049 1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.141 7.814 0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.061 8.568 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.798 7.356 0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.950 9.463 0.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.239 9.070 1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.525 10.244 0.760 1.00 0.00 H new ATOM 355 N GLU A 25 -4.130 6.456 4.865 1.00 0.00 N ATOM 356 CA GLU A 25 -2.765 6.068 5.177 1.00 0.00 C ATOM 357 C GLU A 25 -2.687 4.564 5.442 1.00 0.00 C ATOM 358 O GLU A 25 -2.725 3.762 4.510 1.00 0.00 O ATOM 359 CB GLU A 25 -2.227 6.864 6.368 1.00 0.00 C ATOM 360 CG GLU A 25 -3.294 7.010 7.455 1.00 0.00 C ATOM 361 CD GLU A 25 -2.657 7.052 8.846 1.00 0.00 C ATOM 362 OE1 GLU A 25 -2.126 8.096 9.254 1.00 0.00 O ATOM 363 OE2 GLU A 25 -2.727 5.950 9.511 1.00 0.00 O ATOM 0 H GLU A 25 -4.597 6.997 5.593 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.138 6.297 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.350 6.363 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.904 7.850 6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.868 7.921 7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.994 6.177 7.397 1.00 0.00 H new ATOM 371 N ILE A 26 -2.580 4.225 6.719 1.00 0.00 N ATOM 372 CA ILE A 26 -2.497 2.831 7.119 1.00 0.00 C ATOM 373 C ILE A 26 -3.639 2.048 6.466 1.00 0.00 C ATOM 374 O ILE A 26 -3.488 0.869 6.152 1.00 0.00 O ATOM 375 CB ILE A 26 -2.463 2.712 8.644 1.00 0.00 C ATOM 376 CG1 ILE A 26 -1.255 3.449 9.224 1.00 0.00 C ATOM 377 CG2 ILE A 26 -2.505 1.246 9.081 1.00 0.00 C ATOM 378 CD1 ILE A 26 -1.455 3.744 10.712 1.00 0.00 C ATOM 0 H ILE A 26 -2.549 4.892 7.490 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.565 2.389 6.767 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.356 3.192 9.044 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.357 2.847 9.087 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.099 4.382 8.682 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.480 1.190 10.169 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.422 0.783 8.715 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.644 0.719 8.670 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.582 4.268 11.100 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.340 4.366 10.844 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.586 2.808 11.254 1.00 0.00 H new ATOM 390 N GLY A 27 -4.756 2.737 6.282 1.00 0.00 N ATOM 391 CA GLY A 27 -5.923 2.122 5.673 1.00 0.00 C ATOM 392 C GLY A 27 -5.555 1.435 4.356 1.00 0.00 C ATOM 393 O GLY A 27 -5.665 0.216 4.236 1.00 0.00 O ATOM 0 H GLY A 27 -4.877 3.715 6.544 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.355 1.394 6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.685 2.880 5.492 1.00 0.00 H new ATOM 397 N ALA A 28 -5.127 2.247 3.401 1.00 0.00 N ATOM 398 CA ALA A 28 -4.743 1.733 2.097 1.00 0.00 C ATOM 399 C ALA A 28 -3.797 0.544 2.281 1.00 0.00 C ATOM 400 O ALA A 28 -3.966 -0.492 1.640 1.00 0.00 O ATOM 401 CB ALA A 28 -4.113 2.856 1.271 1.00 0.00 C ATOM 0 H ALA A 28 -5.038 3.258 3.504 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.617 1.378 1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.825 2.471 0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.834 3.663 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.230 3.235 1.786 1.00 0.00 H new ATOM 407 N MET A 29 -2.823 0.734 3.159 1.00 0.00 N ATOM 408 CA MET A 29 -1.851 -0.310 3.435 1.00 0.00 C ATOM 409 C MET A 29 -2.540 -1.661 3.639 1.00 0.00 C ATOM 410 O MET A 29 -2.194 -2.643 2.984 1.00 0.00 O ATOM 411 CB MET A 29 -1.056 0.052 4.691 1.00 0.00 C ATOM 412 CG MET A 29 -0.767 -1.191 5.535 1.00 0.00 C ATOM 413 SD MET A 29 -1.736 -1.151 7.033 1.00 0.00 S ATOM 414 CE MET A 29 -0.718 -2.167 8.089 1.00 0.00 C ATOM 0 H MET A 29 -2.686 1.595 3.688 1.00 0.00 H new ATOM 0 HA MET A 29 -1.180 -0.391 2.580 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.118 0.529 4.407 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.615 0.776 5.283 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.001 -2.090 4.965 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.294 -1.236 5.780 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.258 -3.077 8.349 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.202 -2.428 7.566 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.475 -1.617 8.998 1.00 0.00 H new ATOM 424 N LEU A 30 -3.502 -1.667 4.549 1.00 0.00 N ATOM 425 CA LEU A 30 -4.243 -2.881 4.847 1.00 0.00 C ATOM 426 C LEU A 30 -5.333 -3.080 3.792 1.00 0.00 C ATOM 427 O LEU A 30 -5.363 -4.105 3.111 1.00 0.00 O ATOM 428 CB LEU A 30 -4.774 -2.846 6.281 1.00 0.00 C ATOM 429 CG LEU A 30 -3.994 -3.672 7.306 1.00 0.00 C ATOM 430 CD1 LEU A 30 -4.268 -3.180 8.729 1.00 0.00 C ATOM 431 CD2 LEU A 30 -4.292 -5.164 7.148 1.00 0.00 C ATOM 0 H LEU A 30 -3.786 -0.850 5.090 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.587 -3.750 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.790 -1.809 6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.807 -3.194 6.273 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.929 -3.535 7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.702 -3.784 9.438 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.965 -2.137 8.818 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.332 -3.269 8.946 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.725 -5.729 7.888 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.358 -5.340 7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.006 -5.488 6.147 1.00 0.00 H new ATOM 443 N SER A 31 -6.202 -2.085 3.689 1.00 0.00 N ATOM 444 CA SER A 31 -7.291 -2.139 2.729 1.00 0.00 C ATOM 445 C SER A 31 -6.748 -2.489 1.342 1.00 0.00 C ATOM 446 O SER A 31 -7.458 -3.071 0.523 1.00 0.00 O ATOM 447 CB SER A 31 -8.049 -0.811 2.682 1.00 0.00 C ATOM 448 OG SER A 31 -8.663 -0.502 3.930 1.00 0.00 O ATOM 0 H SER A 31 -6.174 -1.237 4.255 1.00 0.00 H new ATOM 0 HA SER A 31 -7.989 -2.914 3.046 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.361 -0.011 2.408 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.811 -0.856 1.904 1.00 0.00 H new ATOM 0 HG SER A 31 -7.981 -0.196 4.564 1.00 0.00 H new ATOM 454 N LEU A 32 -5.495 -2.121 1.121 1.00 0.00 N ATOM 455 CA LEU A 32 -4.849 -2.389 -0.153 1.00 0.00 C ATOM 456 C LEU A 32 -4.566 -3.888 -0.270 1.00 0.00 C ATOM 457 O LEU A 32 -5.180 -4.577 -1.084 1.00 0.00 O ATOM 458 CB LEU A 32 -3.605 -1.514 -0.317 1.00 0.00 C ATOM 459 CG LEU A 32 -3.780 -0.253 -1.166 1.00 0.00 C ATOM 460 CD1 LEU A 32 -3.848 -0.599 -2.655 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.998 0.552 -0.708 1.00 0.00 C ATOM 0 H LEU A 32 -4.909 -1.639 1.803 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.509 -2.123 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.261 -1.216 0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.815 -2.120 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.904 0.379 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.973 0.315 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.926 -1.097 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.694 -1.262 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.099 1.443 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.895 -0.060 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.868 0.847 0.333 1.00 0.00 H new ATOM 473 N LEU A 33 -3.637 -4.349 0.554 1.00 0.00 N ATOM 474 CA LEU A 33 -3.266 -5.754 0.552 1.00 0.00 C ATOM 475 C LEU A 33 -4.361 -6.567 1.245 1.00 0.00 C ATOM 476 O LEU A 33 -4.775 -7.611 0.743 1.00 0.00 O ATOM 477 CB LEU A 33 -1.878 -5.942 1.168 1.00 0.00 C ATOM 478 CG LEU A 33 -0.740 -5.161 0.507 1.00 0.00 C ATOM 479 CD1 LEU A 33 -0.143 -5.946 -0.663 1.00 0.00 C ATOM 480 CD2 LEU A 33 -1.205 -3.767 0.084 1.00 0.00 C ATOM 0 H LEU A 33 -3.130 -3.775 1.228 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.190 -6.127 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.927 -5.656 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.630 -7.003 1.138 1.00 0.00 H new ATOM 0 HG LEU A 33 0.053 -5.026 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.663 -5.368 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.250 -6.896 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.916 -6.133 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.377 -3.233 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.026 -3.858 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.544 -3.215 0.961 1.00 0.00 H new ATOM 492 N GLN A 34 -4.798 -6.059 2.388 1.00 0.00 N ATOM 493 CA GLN A 34 -5.837 -6.725 3.154 1.00 0.00 C ATOM 494 C GLN A 34 -7.177 -6.639 2.420 1.00 0.00 C ATOM 495 O GLN A 34 -8.182 -7.171 2.890 1.00 0.00 O ATOM 496 CB GLN A 34 -5.945 -6.134 4.562 1.00 0.00 C ATOM 497 CG GLN A 34 -5.903 -7.235 5.623 1.00 0.00 C ATOM 498 CD GLN A 34 -7.034 -7.061 6.638 1.00 0.00 C ATOM 499 OE1 GLN A 34 -7.440 -5.960 6.972 1.00 0.00 O ATOM 500 NE2 GLN A 34 -7.519 -8.207 7.109 1.00 0.00 N ATOM 0 H GLN A 34 -4.451 -5.194 2.802 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.568 -7.776 3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.128 -5.432 4.729 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.874 -5.571 4.654 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.987 -8.210 5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.942 -7.214 6.137 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.133 -9.095 6.787 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.277 -8.198 7.792 1.00 0.00 H new ATOM 509 N LYS A 35 -7.148 -5.965 1.280 1.00 0.00 N ATOM 510 CA LYS A 35 -8.347 -5.802 0.476 1.00 0.00 C ATOM 511 C LYS A 35 -8.032 -6.153 -0.980 1.00 0.00 C ATOM 512 O LYS A 35 -8.699 -5.674 -1.896 1.00 0.00 O ATOM 513 CB LYS A 35 -8.928 -4.398 0.658 1.00 0.00 C ATOM 514 CG LYS A 35 -10.439 -4.457 0.894 1.00 0.00 C ATOM 515 CD LYS A 35 -11.197 -4.561 -0.431 1.00 0.00 C ATOM 516 CE LYS A 35 -11.913 -5.908 -0.549 1.00 0.00 C ATOM 517 NZ LYS A 35 -13.380 -5.715 -0.570 1.00 0.00 N ATOM 0 H LYS A 35 -6.313 -5.525 0.894 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.125 -6.489 0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.443 -3.906 1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.717 -3.796 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.679 -5.314 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.762 -3.566 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.923 -3.752 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.502 -4.441 -1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.594 -6.418 -1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.636 -6.548 0.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.851 -6.639 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.681 -5.248 0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.640 -5.122 -1.384 1.00 0.00 H new ATOM 530 N GLU A 36 -7.016 -6.986 -1.147 1.00 0.00 N ATOM 531 CA GLU A 36 -6.604 -7.407 -2.476 1.00 0.00 C ATOM 532 C GLU A 36 -6.402 -8.923 -2.514 1.00 0.00 C ATOM 533 O GLU A 36 -5.964 -9.469 -3.525 1.00 0.00 O ATOM 534 CB GLU A 36 -5.335 -6.673 -2.914 1.00 0.00 C ATOM 535 CG GLU A 36 -5.675 -5.470 -3.797 1.00 0.00 C ATOM 536 CD GLU A 36 -6.748 -5.831 -4.826 1.00 0.00 C ATOM 537 OE1 GLU A 36 -7.763 -5.127 -4.936 1.00 0.00 O ATOM 538 OE2 GLU A 36 -6.499 -6.884 -5.528 1.00 0.00 O ATOM 0 H GLU A 36 -6.466 -7.381 -0.385 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.395 -7.148 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.782 -6.340 -2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.685 -7.357 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.025 -4.646 -3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.777 -5.125 -4.309 1.00 0.00 H new ATOM 546 N GLY A 37 -6.730 -9.560 -1.399 1.00 0.00 N ATOM 547 CA GLY A 37 -6.589 -11.002 -1.292 1.00 0.00 C ATOM 548 C GLY A 37 -5.261 -11.469 -1.891 1.00 0.00 C ATOM 549 O GLY A 37 -5.115 -12.637 -2.251 1.00 0.00 O ATOM 0 H GLY A 37 -7.093 -9.104 -0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.644 -11.300 -0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.416 -11.491 -1.807 1.00 0.00 H new ATOM 553 N LEU A 38 -4.327 -10.534 -1.979 1.00 0.00 N ATOM 554 CA LEU A 38 -3.016 -10.836 -2.528 1.00 0.00 C ATOM 555 C LEU A 38 -1.946 -10.532 -1.478 1.00 0.00 C ATOM 556 O LEU A 38 -0.812 -10.200 -1.820 1.00 0.00 O ATOM 557 CB LEU A 38 -2.806 -10.097 -3.851 1.00 0.00 C ATOM 558 CG LEU A 38 -1.358 -9.750 -4.203 1.00 0.00 C ATOM 559 CD1 LEU A 38 -1.150 -9.739 -5.719 1.00 0.00 C ATOM 560 CD2 LEU A 38 -0.939 -8.428 -3.557 1.00 0.00 C ATOM 0 H LEU A 38 -4.452 -9.567 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.938 -11.897 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.218 -10.707 -4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.384 -9.173 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.711 -10.527 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.113 -9.490 -5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.382 -10.724 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.807 -8.996 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.094 -8.204 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.587 -7.627 -3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.025 -8.509 -2.473 1.00 0.00 H new ATOM 572 N LEU A 39 -2.344 -10.657 -0.220 1.00 0.00 N ATOM 573 CA LEU A 39 -1.433 -10.400 0.882 1.00 0.00 C ATOM 574 C LEU A 39 -1.115 -11.716 1.594 1.00 0.00 C ATOM 575 O LEU A 39 -1.921 -12.645 1.577 1.00 0.00 O ATOM 576 CB LEU A 39 -2.002 -9.323 1.808 1.00 0.00 C ATOM 577 CG LEU A 39 -0.988 -8.589 2.687 1.00 0.00 C ATOM 578 CD1 LEU A 39 -0.698 -9.378 3.965 1.00 0.00 C ATOM 579 CD2 LEU A 39 0.290 -8.275 1.905 1.00 0.00 C ATOM 0 H LEU A 39 -3.285 -10.933 0.060 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.489 -10.002 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.524 -8.586 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.747 -9.786 2.456 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.424 -7.636 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.026 -8.834 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.621 -9.507 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.292 -10.355 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.994 -7.753 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.740 -9.204 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.048 -7.644 1.050 1.00 0.00 H new ATOM 591 N MET A 40 0.061 -11.755 2.202 1.00 0.00 N ATOM 592 CA MET A 40 0.495 -12.942 2.918 1.00 0.00 C ATOM 593 C MET A 40 1.167 -12.570 4.242 1.00 0.00 C ATOM 594 O MET A 40 1.243 -13.390 5.156 1.00 0.00 O ATOM 595 CB MET A 40 1.478 -13.731 2.051 1.00 0.00 C ATOM 596 CG MET A 40 1.155 -15.226 2.077 1.00 0.00 C ATOM 597 SD MET A 40 0.949 -15.835 0.412 1.00 0.00 S ATOM 598 CE MET A 40 1.086 -17.590 0.704 1.00 0.00 C ATOM 0 H MET A 40 0.727 -10.983 2.214 1.00 0.00 H new ATOM 0 HA MET A 40 -0.382 -13.552 3.136 1.00 0.00 H new ATOM 0 HB2 MET A 40 1.439 -13.365 1.025 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.495 -13.569 2.409 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.956 -15.771 2.576 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.245 -15.400 2.652 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.980 -18.125 -0.240 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.061 -17.811 1.139 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.302 -17.907 1.391 1.00 0.00 H new ATOM 608 N SER A 41 1.636 -11.332 4.303 1.00 0.00 N ATOM 609 CA SER A 41 2.298 -10.841 5.499 1.00 0.00 C ATOM 610 C SER A 41 3.053 -9.548 5.186 1.00 0.00 C ATOM 611 O SER A 41 3.206 -9.180 4.022 1.00 0.00 O ATOM 612 CB SER A 41 3.256 -11.890 6.068 1.00 0.00 C ATOM 613 OG SER A 41 4.581 -11.385 6.204 1.00 0.00 O ATOM 0 H SER A 41 1.570 -10.655 3.543 1.00 0.00 H new ATOM 0 HA SER A 41 1.537 -10.637 6.252 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.893 -12.223 7.041 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.266 -12.763 5.416 1.00 0.00 H new ATOM 0 HG SER A 41 5.161 -12.084 6.572 1.00 0.00 H new ATOM 619 N PRO A 42 3.518 -8.875 6.273 1.00 0.00 N ATOM 620 CA PRO A 42 4.253 -7.631 6.126 1.00 0.00 C ATOM 621 C PRO A 42 5.679 -7.891 5.635 1.00 0.00 C ATOM 622 O PRO A 42 6.564 -7.057 5.818 1.00 0.00 O ATOM 623 CB PRO A 42 4.207 -6.982 7.499 1.00 0.00 C ATOM 624 CG PRO A 42 3.854 -8.093 8.474 1.00 0.00 C ATOM 625 CD PRO A 42 3.355 -9.281 7.666 1.00 0.00 C ATOM 0 HA PRO A 42 3.818 -6.972 5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.167 -6.532 7.751 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.464 -6.185 7.529 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.726 -8.373 9.066 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.088 -7.758 9.173 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.931 -10.180 7.887 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.313 -9.506 7.894 1.00 0.00 H new ATOM 633 N SER A 43 5.856 -9.052 5.020 1.00 0.00 N ATOM 634 CA SER A 43 7.159 -9.432 4.502 1.00 0.00 C ATOM 635 C SER A 43 7.509 -8.574 3.284 1.00 0.00 C ATOM 636 O SER A 43 8.676 -8.466 2.912 1.00 0.00 O ATOM 637 CB SER A 43 7.193 -10.917 4.132 1.00 0.00 C ATOM 638 OG SER A 43 8.383 -11.265 3.431 1.00 0.00 O ATOM 0 H SER A 43 5.119 -9.741 4.869 1.00 0.00 H new ATOM 0 HA SER A 43 7.900 -9.262 5.283 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.117 -11.518 5.038 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.326 -11.157 3.516 1.00 0.00 H new ATOM 0 HG SER A 43 8.367 -12.221 3.214 1.00 0.00 H new ATOM 644 N ASP A 44 6.476 -7.986 2.698 1.00 0.00 N ATOM 645 CA ASP A 44 6.659 -7.141 1.531 1.00 0.00 C ATOM 646 C ASP A 44 7.922 -6.296 1.712 1.00 0.00 C ATOM 647 O ASP A 44 8.543 -5.885 0.733 1.00 0.00 O ATOM 648 CB ASP A 44 5.476 -6.190 1.348 1.00 0.00 C ATOM 649 CG ASP A 44 5.264 -5.687 -0.082 1.00 0.00 C ATOM 650 OD1 ASP A 44 4.389 -6.180 -0.809 1.00 0.00 O ATOM 651 OD2 ASP A 44 6.055 -4.736 -0.448 1.00 0.00 O ATOM 0 H ASP A 44 5.509 -8.078 3.010 1.00 0.00 H new ATOM 0 HA ASP A 44 6.740 -7.787 0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.568 -6.696 1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.616 -5.330 2.002 1.00 0.00 H new ATOM 657 N LEU A 45 8.263 -6.062 2.970 1.00 0.00 N ATOM 658 CA LEU A 45 9.440 -5.273 3.292 1.00 0.00 C ATOM 659 C LEU A 45 10.663 -6.190 3.350 1.00 0.00 C ATOM 660 O LEU A 45 11.766 -5.783 2.988 1.00 0.00 O ATOM 661 CB LEU A 45 9.213 -4.469 4.574 1.00 0.00 C ATOM 662 CG LEU A 45 10.473 -4.035 5.326 1.00 0.00 C ATOM 663 CD1 LEU A 45 10.208 -2.780 6.160 1.00 0.00 C ATOM 664 CD2 LEU A 45 11.027 -5.181 6.175 1.00 0.00 C ATOM 0 H LEU A 45 7.745 -6.405 3.779 1.00 0.00 H new ATOM 0 HA LEU A 45 9.630 -4.536 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.639 -3.577 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.598 -5.065 5.249 1.00 0.00 H new ATOM 0 HG LEU A 45 11.238 -3.779 4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.119 -2.493 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.895 -1.967 5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.421 -2.985 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.922 -4.846 6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.276 -5.491 6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.278 -6.023 5.530 1.00 0.00 H new ATOM 676 N TYR A 46 10.427 -7.411 3.808 1.00 0.00 N ATOM 677 CA TYR A 46 11.496 -8.389 3.917 1.00 0.00 C ATOM 678 C TYR A 46 12.214 -8.568 2.579 1.00 0.00 C ATOM 679 O TYR A 46 13.291 -9.160 2.523 1.00 0.00 O ATOM 680 CB TYR A 46 10.822 -9.708 4.302 1.00 0.00 C ATOM 681 CG TYR A 46 10.395 -9.784 5.769 1.00 0.00 C ATOM 682 CD1 TYR A 46 10.965 -8.938 6.698 1.00 0.00 C ATOM 683 CD2 TYR A 46 9.439 -10.698 6.163 1.00 0.00 C ATOM 684 CE1 TYR A 46 10.562 -9.009 8.079 1.00 0.00 C ATOM 685 CE2 TYR A 46 9.036 -10.770 7.543 1.00 0.00 C ATOM 686 CZ TYR A 46 9.618 -9.922 8.434 1.00 0.00 C ATOM 687 OH TYR A 46 9.238 -9.989 9.738 1.00 0.00 O ATOM 0 H TYR A 46 9.511 -7.745 4.108 1.00 0.00 H new ATOM 0 HA TYR A 46 12.237 -8.068 4.649 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.945 -9.854 3.671 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.507 -10.529 4.091 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.713 -8.223 6.390 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.993 -11.360 5.435 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.999 -8.352 8.816 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.289 -11.481 7.864 1.00 0.00 H new ATOM 0 HH TYR A 46 8.556 -10.685 9.845 1.00 0.00 H new ATOM 697 N SER A 47 11.590 -8.046 1.533 1.00 0.00 N ATOM 698 CA SER A 47 12.157 -8.141 0.199 1.00 0.00 C ATOM 699 C SER A 47 11.748 -6.922 -0.631 1.00 0.00 C ATOM 700 O SER A 47 10.579 -6.540 -0.646 1.00 0.00 O ATOM 701 CB SER A 47 11.714 -9.430 -0.497 1.00 0.00 C ATOM 702 OG SER A 47 12.465 -9.682 -1.682 1.00 0.00 O ATOM 0 H SER A 47 10.697 -7.556 1.583 1.00 0.00 H new ATOM 0 HA SER A 47 13.243 -8.164 0.289 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.827 -10.270 0.189 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.655 -9.362 -0.746 1.00 0.00 H new ATOM 0 HG SER A 47 12.154 -10.514 -2.096 1.00 0.00 H new ATOM 708 N PRO A 48 12.760 -6.330 -1.320 1.00 0.00 N ATOM 709 CA PRO A 48 12.518 -5.163 -2.151 1.00 0.00 C ATOM 710 C PRO A 48 11.814 -5.552 -3.452 1.00 0.00 C ATOM 711 O PRO A 48 12.259 -6.457 -4.156 1.00 0.00 O ATOM 712 CB PRO A 48 13.890 -4.550 -2.378 1.00 0.00 C ATOM 713 CG PRO A 48 14.894 -5.647 -2.061 1.00 0.00 C ATOM 714 CD PRO A 48 14.157 -6.755 -1.327 1.00 0.00 C ATOM 0 HA PRO A 48 11.848 -4.443 -1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.999 -4.206 -3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.042 -3.683 -1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 48 15.344 -6.029 -2.977 1.00 0.00 H new ATOM 0 HG3 PRO A 48 15.705 -5.256 -1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 48 14.277 -7.713 -1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 48 14.538 -6.880 -0.313 1.00 0.00 H new ATOM 722 N GLY A 49 10.726 -4.850 -3.732 1.00 0.00 N ATOM 723 CA GLY A 49 9.955 -5.110 -4.936 1.00 0.00 C ATOM 724 C GLY A 49 8.879 -6.167 -4.680 1.00 0.00 C ATOM 725 O GLY A 49 8.957 -7.277 -5.205 1.00 0.00 O ATOM 0 H GLY A 49 10.360 -4.101 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.489 -4.187 -5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.619 -5.447 -5.732 1.00 0.00 H new ATOM 729 N SER A 50 7.900 -5.785 -3.873 1.00 0.00 N ATOM 730 CA SER A 50 6.809 -6.686 -3.542 1.00 0.00 C ATOM 731 C SER A 50 5.473 -5.946 -3.633 1.00 0.00 C ATOM 732 O SER A 50 4.444 -6.459 -3.195 1.00 0.00 O ATOM 733 CB SER A 50 6.992 -7.281 -2.144 1.00 0.00 C ATOM 734 OG SER A 50 7.356 -8.658 -2.193 1.00 0.00 O ATOM 0 H SER A 50 7.840 -4.864 -3.439 1.00 0.00 H new ATOM 0 HA SER A 50 6.812 -7.506 -4.260 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.760 -6.722 -1.610 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.066 -7.171 -1.579 1.00 0.00 H new ATOM 0 HG SER A 50 7.465 -9.000 -1.281 1.00 0.00 H new ATOM 740 N TRP A 51 5.532 -4.753 -4.205 1.00 0.00 N ATOM 741 CA TRP A 51 4.339 -3.937 -4.360 1.00 0.00 C ATOM 742 C TRP A 51 3.782 -4.175 -5.765 1.00 0.00 C ATOM 743 O TRP A 51 2.748 -3.617 -6.129 1.00 0.00 O ATOM 744 CB TRP A 51 4.642 -2.464 -4.078 1.00 0.00 C ATOM 745 CG TRP A 51 4.759 -2.126 -2.591 1.00 0.00 C ATOM 746 CD1 TRP A 51 5.670 -2.568 -1.713 1.00 0.00 C ATOM 747 CD2 TRP A 51 3.893 -1.250 -1.837 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.456 -2.044 -0.455 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.341 -1.217 -0.533 1.00 0.00 C ATOM 750 CE3 TRP A 51 2.769 -0.511 -2.245 1.00 0.00 C ATOM 751 CZ2 TRP A 51 3.725 -0.459 0.470 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.164 0.241 -1.231 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.603 0.285 0.087 1.00 0.00 C ATOM 0 H TRP A 51 6.387 -4.331 -4.567 1.00 0.00 H new ATOM 0 HA TRP A 51 3.579 -4.222 -3.632 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.573 -2.194 -4.576 1.00 0.00 H new ATOM 0 HB3 TRP A 51 3.856 -1.851 -4.518 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.471 -3.249 -1.959 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.013 -2.229 0.379 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.401 -0.522 -3.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.096 -0.449 1.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.295 0.828 -1.491 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.081 0.891 0.813 1.00 0.00 H new ATOM 764 N ASP A 52 4.493 -5.004 -6.516 1.00 0.00 N ATOM 765 CA ASP A 52 4.082 -5.323 -7.873 1.00 0.00 C ATOM 766 C ASP A 52 2.872 -6.258 -7.829 1.00 0.00 C ATOM 767 O ASP A 52 2.122 -6.355 -8.799 1.00 0.00 O ATOM 768 CB ASP A 52 5.202 -6.034 -8.634 1.00 0.00 C ATOM 769 CG ASP A 52 5.391 -5.578 -10.082 1.00 0.00 C ATOM 770 OD1 ASP A 52 5.444 -6.400 -11.009 1.00 0.00 O ATOM 771 OD2 ASP A 52 5.487 -4.302 -10.243 1.00 0.00 O ATOM 0 H ASP A 52 5.351 -5.464 -6.211 1.00 0.00 H new ATOM 0 HA ASP A 52 3.838 -4.389 -8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.138 -5.884 -8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.000 -7.105 -8.630 1.00 0.00 H new ATOM 777 N PRO A 53 2.715 -6.940 -6.663 1.00 0.00 N ATOM 778 CA PRO A 53 1.609 -7.864 -6.480 1.00 0.00 C ATOM 779 C PRO A 53 0.296 -7.111 -6.255 1.00 0.00 C ATOM 780 O PRO A 53 -0.730 -7.458 -6.837 1.00 0.00 O ATOM 781 CB PRO A 53 2.009 -8.727 -5.293 1.00 0.00 C ATOM 782 CG PRO A 53 3.102 -7.958 -4.569 1.00 0.00 C ATOM 783 CD PRO A 53 3.583 -6.851 -5.492 1.00 0.00 C ATOM 0 HA PRO A 53 1.426 -8.480 -7.360 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.158 -8.907 -4.637 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.369 -9.702 -5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.721 -7.540 -3.637 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.926 -8.622 -4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.504 -5.875 -5.014 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.630 -6.989 -5.764 1.00 0.00 H new ATOM 791 N ILE A 54 0.372 -6.093 -5.411 1.00 0.00 N ATOM 792 CA ILE A 54 -0.797 -5.287 -5.102 1.00 0.00 C ATOM 793 C ILE A 54 -1.142 -4.414 -6.310 1.00 0.00 C ATOM 794 O ILE A 54 -2.281 -3.974 -6.457 1.00 0.00 O ATOM 795 CB ILE A 54 -0.576 -4.494 -3.813 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.861 -4.425 -2.985 1.00 0.00 C ATOM 797 CG2 ILE A 54 -0.013 -3.104 -4.114 1.00 0.00 C ATOM 798 CD1 ILE A 54 -2.226 -2.975 -2.659 1.00 0.00 C ATOM 0 H ILE A 54 1.226 -5.807 -4.931 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.660 -5.925 -4.912 1.00 0.00 H new ATOM 0 HB ILE A 54 0.167 -5.019 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.677 -4.895 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.733 -4.988 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.135 -2.561 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.941 -3.202 -4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.713 -2.557 -4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.143 -2.954 -2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.418 -2.516 -2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.377 -2.421 -3.585 1.00 0.00 H new ATOM 810 N THR A 55 -0.137 -4.190 -7.144 1.00 0.00 N ATOM 811 CA THR A 55 -0.320 -3.377 -8.335 1.00 0.00 C ATOM 812 C THR A 55 -1.368 -4.007 -9.255 1.00 0.00 C ATOM 813 O THR A 55 -2.367 -3.372 -9.590 1.00 0.00 O ATOM 814 CB THR A 55 1.046 -3.200 -9.001 1.00 0.00 C ATOM 815 OG1 THR A 55 1.558 -2.000 -8.429 1.00 0.00 O ATOM 816 CG2 THR A 55 0.932 -2.883 -10.493 1.00 0.00 C ATOM 0 H THR A 55 0.806 -4.557 -7.019 1.00 0.00 H new ATOM 0 HA THR A 55 -0.706 -2.389 -8.084 1.00 0.00 H new ATOM 0 HB THR A 55 1.636 -4.107 -8.866 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.522 -2.094 -8.280 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.929 -2.767 -10.918 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.414 -3.698 -11.000 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.371 -1.958 -10.627 1.00 0.00 H new ATOM 824 N ALA A 56 -1.104 -5.247 -9.637 1.00 0.00 N ATOM 825 CA ALA A 56 -2.012 -5.970 -10.512 1.00 0.00 C ATOM 826 C ALA A 56 -3.201 -6.481 -9.696 1.00 0.00 C ATOM 827 O ALA A 56 -4.210 -6.903 -10.259 1.00 0.00 O ATOM 828 CB ALA A 56 -1.255 -7.102 -11.210 1.00 0.00 C ATOM 0 H ALA A 56 -0.274 -5.770 -9.357 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.403 -5.312 -11.288 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.936 -7.644 -11.866 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.439 -6.685 -11.799 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.851 -7.785 -10.462 1.00 0.00 H new ATOM 834 N ALA A 57 -3.043 -6.425 -8.381 1.00 0.00 N ATOM 835 CA ALA A 57 -4.092 -6.877 -7.482 1.00 0.00 C ATOM 836 C ALA A 57 -5.364 -6.068 -7.742 1.00 0.00 C ATOM 837 O ALA A 57 -6.305 -6.566 -8.359 1.00 0.00 O ATOM 838 CB ALA A 57 -3.610 -6.756 -6.035 1.00 0.00 C ATOM 0 H ALA A 57 -2.205 -6.074 -7.917 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.326 -7.926 -7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.396 -7.095 -5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.721 -7.371 -5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.369 -5.715 -5.818 1.00 0.00 H new ATOM 844 N LEU A 58 -5.352 -4.834 -7.260 1.00 0.00 N ATOM 845 CA LEU A 58 -6.493 -3.952 -7.433 1.00 0.00 C ATOM 846 C LEU A 58 -6.794 -3.800 -8.925 1.00 0.00 C ATOM 847 O LEU A 58 -7.951 -3.862 -9.339 1.00 0.00 O ATOM 848 CB LEU A 58 -6.256 -2.622 -6.715 1.00 0.00 C ATOM 849 CG LEU A 58 -5.692 -2.717 -5.296 1.00 0.00 C ATOM 850 CD1 LEU A 58 -4.163 -2.686 -5.310 1.00 0.00 C ATOM 851 CD2 LEU A 58 -6.280 -1.625 -4.398 1.00 0.00 C ATOM 0 H LEU A 58 -4.570 -4.424 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.381 -4.384 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.572 -2.024 -7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.201 -2.081 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.990 -3.677 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.788 -2.755 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.787 -3.528 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.822 -1.753 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.863 -1.715 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.033 -0.645 -4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.363 -1.736 -4.352 1.00 0.00 H new ATOM 863 N SER A 59 -5.732 -3.604 -9.693 1.00 0.00 N ATOM 864 CA SER A 59 -5.868 -3.443 -11.131 1.00 0.00 C ATOM 865 C SER A 59 -6.660 -4.613 -11.716 1.00 0.00 C ATOM 866 O SER A 59 -7.451 -4.431 -12.640 1.00 0.00 O ATOM 867 CB SER A 59 -4.498 -3.339 -11.805 1.00 0.00 C ATOM 868 OG SER A 59 -4.569 -2.661 -13.056 1.00 0.00 O ATOM 0 H SER A 59 -4.774 -3.553 -9.347 1.00 0.00 H new ATOM 0 HA SER A 59 -6.408 -2.516 -11.322 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.809 -2.812 -11.146 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.092 -4.339 -11.957 1.00 0.00 H new ATOM 0 HG SER A 59 -3.675 -2.614 -13.454 1.00 0.00 H new ATOM 874 N GLN A 60 -6.421 -5.789 -11.154 1.00 0.00 N ATOM 875 CA GLN A 60 -7.102 -6.989 -11.608 1.00 0.00 C ATOM 876 C GLN A 60 -8.564 -6.973 -11.155 1.00 0.00 C ATOM 877 O GLN A 60 -9.414 -7.617 -11.767 1.00 0.00 O ATOM 878 CB GLN A 60 -6.388 -8.247 -11.111 1.00 0.00 C ATOM 879 CG GLN A 60 -7.337 -9.446 -11.094 1.00 0.00 C ATOM 880 CD GLN A 60 -7.902 -9.718 -12.490 1.00 0.00 C ATOM 881 OE1 GLN A 60 -7.283 -9.439 -13.504 1.00 0.00 O ATOM 882 NE2 GLN A 60 -9.110 -10.276 -12.486 1.00 0.00 N ATOM 0 H GLN A 60 -5.764 -5.936 -10.387 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.079 -7.005 -12.698 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.535 -8.463 -11.754 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.996 -8.075 -10.109 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.808 -10.328 -10.734 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.154 -9.258 -10.397 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.573 -10.484 -11.601 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.573 -10.496 -13.368 1.00 0.00 H new ATOM 891 N ARG A 61 -8.811 -6.230 -10.086 1.00 0.00 N ATOM 892 CA ARG A 61 -10.154 -6.122 -9.544 1.00 0.00 C ATOM 893 C ARG A 61 -10.274 -4.875 -8.666 1.00 0.00 C ATOM 894 O ARG A 61 -10.432 -4.980 -7.450 1.00 0.00 O ATOM 895 CB ARG A 61 -10.515 -7.357 -8.715 1.00 0.00 C ATOM 896 CG ARG A 61 -11.082 -8.467 -9.603 1.00 0.00 C ATOM 897 CD ARG A 61 -12.237 -9.189 -8.908 1.00 0.00 C ATOM 898 NE ARG A 61 -12.056 -10.654 -9.015 1.00 0.00 N ATOM 899 CZ ARG A 61 -11.317 -11.390 -8.158 1.00 0.00 C ATOM 900 NH1 ARG A 61 -10.683 -10.803 -7.121 1.00 0.00 N ATOM 901 NH2 ARG A 61 -11.224 -12.693 -8.350 1.00 0.00 N ATOM 0 H ARG A 61 -8.103 -5.697 -9.581 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.845 -6.047 -10.384 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.630 -7.720 -8.193 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.246 -7.087 -7.953 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.428 -8.042 -10.545 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.295 -9.181 -9.845 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.282 -8.895 -7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.184 -8.897 -9.361 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.519 -11.138 -9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.760 -9.796 -6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.127 -11.367 -6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.706 -13.128 -9.136 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.670 -13.264 -7.712 1.00 0.00 H new ATOM 914 N ALA A 62 -10.193 -3.723 -9.315 1.00 0.00 N ATOM 915 CA ALA A 62 -10.290 -2.457 -8.609 1.00 0.00 C ATOM 916 C ALA A 62 -11.685 -2.327 -7.993 1.00 0.00 C ATOM 917 O ALA A 62 -11.888 -1.542 -7.068 1.00 0.00 O ATOM 918 CB ALA A 62 -9.967 -1.310 -9.569 1.00 0.00 C ATOM 0 H ALA A 62 -10.061 -3.640 -10.323 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.565 -2.415 -7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.040 -0.360 -9.039 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.955 -1.433 -9.956 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.675 -1.318 -10.397 1.00 0.00 H new ATOM 1041 N LEU A 71 -9.314 3.585 -7.946 1.00 0.00 N ATOM 1042 CA LEU A 71 -8.088 3.070 -7.360 1.00 0.00 C ATOM 1043 C LEU A 71 -7.179 4.241 -6.981 1.00 0.00 C ATOM 1044 O LEU A 71 -5.963 4.167 -7.151 1.00 0.00 O ATOM 1045 CB LEU A 71 -7.429 2.059 -8.300 1.00 0.00 C ATOM 1046 CG LEU A 71 -7.037 0.719 -7.675 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -8.261 0.004 -7.099 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -6.282 -0.155 -8.679 1.00 0.00 C ATOM 0 HA LEU A 71 -8.304 2.523 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.110 1.865 -9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.534 2.516 -8.723 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.358 0.915 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.955 -0.946 -6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.718 0.627 -6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.983 -0.180 -7.895 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.015 -1.102 -8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.916 -0.346 -9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.376 0.359 -9.000 1.00 0.00 H new ATOM 1060 N LYS A 72 -7.803 5.294 -6.474 1.00 0.00 N ATOM 1061 CA LYS A 72 -7.065 6.478 -6.068 1.00 0.00 C ATOM 1062 C LYS A 72 -6.081 6.105 -4.958 1.00 0.00 C ATOM 1063 O LYS A 72 -4.880 6.340 -5.083 1.00 0.00 O ATOM 1064 CB LYS A 72 -8.028 7.604 -5.685 1.00 0.00 C ATOM 1065 CG LYS A 72 -7.498 8.961 -6.153 1.00 0.00 C ATOM 1066 CD LYS A 72 -6.730 9.666 -5.033 1.00 0.00 C ATOM 1067 CE LYS A 72 -5.344 10.104 -5.511 1.00 0.00 C ATOM 1068 NZ LYS A 72 -5.412 11.440 -6.143 1.00 0.00 N ATOM 0 H LYS A 72 -8.812 5.352 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.475 6.864 -6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.006 7.418 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.167 7.617 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.845 8.823 -7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.329 9.587 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.293 10.535 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.629 8.997 -4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.653 10.129 -4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.952 9.378 -6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.463 11.722 -6.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.055 11.405 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.766 12.133 -5.453 1.00 0.00 H new ATOM 1081 N THR A 73 -6.627 5.530 -3.896 1.00 0.00 N ATOM 1082 CA THR A 73 -5.812 5.123 -2.764 1.00 0.00 C ATOM 1083 C THR A 73 -4.654 4.238 -3.232 1.00 0.00 C ATOM 1084 O THR A 73 -3.528 4.380 -2.756 1.00 0.00 O ATOM 1085 CB THR A 73 -6.725 4.439 -1.745 1.00 0.00 C ATOM 1086 OG1 THR A 73 -8.024 4.937 -2.055 1.00 0.00 O ATOM 1087 CG2 THR A 73 -6.473 4.922 -0.316 1.00 0.00 C ATOM 0 H THR A 73 -7.623 5.336 -3.796 1.00 0.00 H new ATOM 0 HA THR A 73 -5.349 5.983 -2.281 1.00 0.00 H new ATOM 0 HB THR A 73 -6.580 3.360 -1.794 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.680 4.543 -1.443 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.147 4.405 0.367 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.441 4.710 -0.037 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.651 5.996 -0.258 1.00 0.00 H new ATOM 1095 N TRP A 74 -4.970 3.345 -4.158 1.00 0.00 N ATOM 1096 CA TRP A 74 -3.970 2.438 -4.695 1.00 0.00 C ATOM 1097 C TRP A 74 -2.852 3.279 -5.313 1.00 0.00 C ATOM 1098 O TRP A 74 -1.695 2.861 -5.334 1.00 0.00 O ATOM 1099 CB TRP A 74 -4.597 1.456 -5.686 1.00 0.00 C ATOM 1100 CG TRP A 74 -3.584 0.552 -6.392 1.00 0.00 C ATOM 1101 CD1 TRP A 74 -2.789 -0.378 -5.848 1.00 0.00 C ATOM 1102 CD2 TRP A 74 -3.289 0.532 -7.805 1.00 0.00 C ATOM 1103 NE1 TRP A 74 -2.005 -0.995 -6.802 1.00 0.00 N ATOM 1104 CE2 TRP A 74 -2.319 -0.424 -8.030 1.00 0.00 C ATOM 1105 CE3 TRP A 74 -3.824 1.295 -8.857 1.00 0.00 C ATOM 1106 CZ2 TRP A 74 -1.800 -0.705 -9.299 1.00 0.00 C ATOM 1107 CZ3 TRP A 74 -3.294 1.002 -10.120 1.00 0.00 C ATOM 1108 CH2 TRP A 74 -2.318 0.044 -10.363 1.00 0.00 C ATOM 0 H TRP A 74 -5.905 3.230 -4.550 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.544 1.821 -3.904 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.318 0.833 -5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.152 2.018 -6.437 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.764 -0.616 -4.795 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.321 -1.734 -6.636 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.583 2.047 -8.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -1.041 -1.459 -9.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.671 1.560 -10.964 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.960 -0.123 -11.368 1.00 0.00 H new ATOM 1119 N GLY A 75 -3.236 4.449 -5.801 1.00 0.00 N ATOM 1120 CA GLY A 75 -2.280 5.353 -6.418 1.00 0.00 C ATOM 1121 C GLY A 75 -1.210 5.789 -5.415 1.00 0.00 C ATOM 1122 O GLY A 75 -0.016 5.648 -5.674 1.00 0.00 O ATOM 0 H GLY A 75 -4.196 4.792 -5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.807 4.862 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.800 6.230 -6.804 1.00 0.00 H new ATOM 1126 N LEU A 76 -1.678 6.309 -4.289 1.00 0.00 N ATOM 1127 CA LEU A 76 -0.776 6.766 -3.245 1.00 0.00 C ATOM 1128 C LEU A 76 -0.013 5.569 -2.676 1.00 0.00 C ATOM 1129 O LEU A 76 1.208 5.616 -2.537 1.00 0.00 O ATOM 1130 CB LEU A 76 -1.542 7.566 -2.189 1.00 0.00 C ATOM 1131 CG LEU A 76 -1.134 7.319 -0.735 1.00 0.00 C ATOM 1132 CD1 LEU A 76 -1.333 8.578 0.111 1.00 0.00 C ATOM 1133 CD2 LEU A 76 -1.876 6.114 -0.154 1.00 0.00 C ATOM 0 H LEU A 76 -2.669 6.424 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.034 7.451 -3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.418 8.627 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.604 7.342 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.070 7.082 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.036 8.376 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.722 9.387 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.383 8.870 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.567 5.961 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.950 6.297 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.640 5.225 -0.739 1.00 0.00 H new ATOM 1145 N VAL A 77 -0.764 4.523 -2.362 1.00 0.00 N ATOM 1146 CA VAL A 77 -0.173 3.316 -1.812 1.00 0.00 C ATOM 1147 C VAL A 77 0.761 2.691 -2.849 1.00 0.00 C ATOM 1148 O VAL A 77 1.941 2.473 -2.576 1.00 0.00 O ATOM 1149 CB VAL A 77 -1.274 2.360 -1.347 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -1.968 1.701 -2.540 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -0.716 1.307 -0.386 1.00 0.00 C ATOM 0 H VAL A 77 -1.777 4.487 -2.478 1.00 0.00 H new ATOM 0 HA VAL A 77 0.428 3.552 -0.934 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.019 2.944 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.746 1.027 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.416 2.469 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.238 1.137 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.519 0.640 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.059 0.729 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.290 1.801 0.487 1.00 0.00 H new ATOM 1161 N LEU A 78 0.200 2.421 -4.018 1.00 0.00 N ATOM 1162 CA LEU A 78 0.968 1.826 -5.098 1.00 0.00 C ATOM 1163 C LEU A 78 1.974 2.850 -5.628 1.00 0.00 C ATOM 1164 O LEU A 78 3.178 2.602 -5.624 1.00 0.00 O ATOM 1165 CB LEU A 78 0.036 1.266 -6.175 1.00 0.00 C ATOM 1166 CG LEU A 78 0.583 0.096 -6.994 1.00 0.00 C ATOM 1167 CD1 LEU A 78 1.805 0.521 -7.809 1.00 0.00 C ATOM 1168 CD2 LEU A 78 0.882 -1.108 -6.098 1.00 0.00 C ATOM 0 H LEU A 78 -0.778 2.604 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 78 1.542 0.975 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.890 0.947 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.222 2.074 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.185 -0.213 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.174 -0.330 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.526 1.324 -8.491 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.587 0.872 -7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.270 -1.926 -6.705 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.623 -0.829 -5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.034 -1.428 -5.601 1.00 0.00 H new ATOM 1180 N GLY A 79 1.441 3.980 -6.070 1.00 0.00 N ATOM 1181 CA GLY A 79 2.277 5.043 -6.601 1.00 0.00 C ATOM 1182 C GLY A 79 3.575 5.173 -5.801 1.00 0.00 C ATOM 1183 O GLY A 79 4.602 5.584 -6.338 1.00 0.00 O ATOM 0 H GLY A 79 0.441 4.182 -6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.509 4.840 -7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.733 5.987 -6.573 1.00 0.00 H new ATOM 1187 N ALA A 80 3.485 4.815 -4.528 1.00 0.00 N ATOM 1188 CA ALA A 80 4.639 4.886 -3.648 1.00 0.00 C ATOM 1189 C ALA A 80 5.700 3.891 -4.123 1.00 0.00 C ATOM 1190 O ALA A 80 6.873 4.239 -4.241 1.00 0.00 O ATOM 1191 CB ALA A 80 4.198 4.625 -2.206 1.00 0.00 C ATOM 0 H ALA A 80 2.631 4.475 -4.085 1.00 0.00 H new ATOM 0 HA ALA A 80 5.084 5.881 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.063 4.678 -1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.467 5.376 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.749 3.634 -2.137 1.00 0.00 H new ATOM 1197 N LEU A 81 5.248 2.673 -4.381 1.00 0.00 N ATOM 1198 CA LEU A 81 6.143 1.624 -4.841 1.00 0.00 C ATOM 1199 C LEU A 81 6.943 2.133 -6.042 1.00 0.00 C ATOM 1200 O LEU A 81 8.149 1.907 -6.130 1.00 0.00 O ATOM 1201 CB LEU A 81 5.364 0.338 -5.121 1.00 0.00 C ATOM 1202 CG LEU A 81 5.887 -0.527 -6.269 1.00 0.00 C ATOM 1203 CD1 LEU A 81 7.173 -1.251 -5.868 1.00 0.00 C ATOM 1204 CD2 LEU A 81 4.811 -1.498 -6.758 1.00 0.00 C ATOM 0 H LEU A 81 4.274 2.389 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 81 6.862 1.369 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.358 -0.264 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.329 0.603 -5.335 1.00 0.00 H new ATOM 0 HG LEU A 81 6.134 0.128 -7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.524 -1.859 -6.702 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.937 -0.518 -5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.977 -1.892 -5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.209 -2.101 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.510 -2.150 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.946 -0.936 -7.110 1.00 0.00 H new ATOM 1216 N LYS A 82 6.239 2.810 -6.937 1.00 0.00 N ATOM 1217 CA LYS A 82 6.869 3.352 -8.129 1.00 0.00 C ATOM 1218 C LYS A 82 7.847 4.457 -7.726 1.00 0.00 C ATOM 1219 O LYS A 82 8.796 4.747 -8.454 1.00 0.00 O ATOM 1220 CB LYS A 82 5.809 3.806 -9.135 1.00 0.00 C ATOM 1221 CG LYS A 82 5.393 2.654 -10.051 1.00 0.00 C ATOM 1222 CD LYS A 82 4.102 1.998 -9.555 1.00 0.00 C ATOM 1223 CE LYS A 82 4.333 0.525 -9.211 1.00 0.00 C ATOM 1224 NZ LYS A 82 5.448 -0.026 -10.012 1.00 0.00 N ATOM 0 H LYS A 82 5.239 2.996 -6.861 1.00 0.00 H new ATOM 0 HA LYS A 82 7.449 2.582 -8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.937 4.185 -8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.200 4.629 -9.734 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.250 3.025 -11.066 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.190 1.911 -10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.735 2.527 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.331 2.080 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.556 0.424 -8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.424 -0.046 -9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.334 -1.056 -10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.444 0.407 -10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.351 0.182 -9.540 1.00 0.00 H new ATOM 1237 N ALA A 83 7.584 5.044 -6.568 1.00 0.00 N ATOM 1238 CA ALA A 83 8.430 6.110 -6.060 1.00 0.00 C ATOM 1239 C ALA A 83 9.789 5.531 -5.662 1.00 0.00 C ATOM 1240 O ALA A 83 10.822 6.167 -5.866 1.00 0.00 O ATOM 1241 CB ALA A 83 7.728 6.806 -4.891 1.00 0.00 C ATOM 0 H ALA A 83 6.797 4.801 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 83 8.604 6.861 -6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.363 7.606 -4.510 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.782 7.225 -5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.539 6.083 -4.097 1.00 0.00 H new ATOM 1247 N ALA A 84 9.744 4.332 -5.101 1.00 0.00 N ATOM 1248 CA ALA A 84 10.960 3.660 -4.673 1.00 0.00 C ATOM 1249 C ALA A 84 11.859 3.420 -5.887 1.00 0.00 C ATOM 1250 O ALA A 84 13.053 3.717 -5.848 1.00 0.00 O ATOM 1251 CB ALA A 84 10.598 2.362 -3.950 1.00 0.00 C ATOM 0 H ALA A 84 8.885 3.808 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 84 11.515 4.281 -3.970 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.510 1.858 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.983 2.590 -3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.043 1.712 -4.626 1.00 0.00 H new ATOM 1257 N ARG A 85 11.253 2.886 -6.937 1.00 0.00 N ATOM 1258 CA ARG A 85 11.984 2.603 -8.160 1.00 0.00 C ATOM 1259 C ARG A 85 12.301 3.903 -8.902 1.00 0.00 C ATOM 1260 O ARG A 85 13.147 3.922 -9.795 1.00 0.00 O ATOM 1261 CB ARG A 85 11.182 1.682 -9.081 1.00 0.00 C ATOM 1262 CG ARG A 85 11.994 0.441 -9.459 1.00 0.00 C ATOM 1263 CD ARG A 85 12.004 -0.577 -8.317 1.00 0.00 C ATOM 1264 NE ARG A 85 13.389 -1.020 -8.046 1.00 0.00 N ATOM 1265 CZ ARG A 85 13.708 -2.070 -7.259 1.00 0.00 C ATOM 1266 NH1 ARG A 85 12.740 -2.795 -6.659 1.00 0.00 N ATOM 1267 NH2 ARG A 85 14.980 -2.377 -7.086 1.00 0.00 N ATOM 0 H ARG A 85 10.263 2.642 -6.966 1.00 0.00 H new ATOM 0 HA ARG A 85 12.912 2.103 -7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.259 1.380 -8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.897 2.223 -9.983 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.572 -0.016 -10.354 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.016 0.731 -9.701 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.573 -0.133 -7.419 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.384 -1.434 -8.578 1.00 0.00 H new ATOM 0 HE ARG A 85 14.151 -0.500 -8.481 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.759 -2.551 -6.799 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.989 -3.587 -6.066 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.705 -1.824 -7.544 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.238 -3.167 -6.495 1.00 0.00 H new ATOM 1280 N GLU A 86 11.606 4.959 -8.504 1.00 0.00 N ATOM 1281 CA GLU A 86 11.803 6.260 -9.120 1.00 0.00 C ATOM 1282 C GLU A 86 12.951 7.004 -8.433 1.00 0.00 C ATOM 1283 O GLU A 86 13.937 7.359 -9.076 1.00 0.00 O ATOM 1284 CB GLU A 86 10.515 7.085 -9.083 1.00 0.00 C ATOM 1285 CG GLU A 86 10.744 8.485 -9.656 1.00 0.00 C ATOM 1286 CD GLU A 86 9.426 9.254 -9.768 1.00 0.00 C ATOM 1287 OE1 GLU A 86 8.529 9.071 -8.931 1.00 0.00 O ATOM 1288 OE2 GLU A 86 9.352 10.066 -10.768 1.00 0.00 O ATOM 0 H GLU A 86 10.906 4.940 -7.763 1.00 0.00 H new ATOM 0 HA GLU A 86 12.068 6.109 -10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.737 6.577 -9.654 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.158 7.162 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.436 9.034 -9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.209 8.408 -10.639 1.00 0.00 H new ATOM 1296 N GLU A 87 12.783 7.217 -7.137 1.00 0.00 N ATOM 1297 CA GLU A 87 13.793 7.912 -6.356 1.00 0.00 C ATOM 1298 C GLU A 87 13.988 7.220 -5.005 1.00 0.00 C ATOM 1299 O GLU A 87 13.134 6.451 -4.568 1.00 0.00 O ATOM 1300 CB GLU A 87 13.424 9.385 -6.170 1.00 0.00 C ATOM 1301 CG GLU A 87 14.610 10.182 -5.622 1.00 0.00 C ATOM 1302 CD GLU A 87 15.525 10.651 -6.755 1.00 0.00 C ATOM 1303 OE1 GLU A 87 15.923 9.842 -7.606 1.00 0.00 O ATOM 1304 OE2 GLU A 87 15.820 11.907 -6.733 1.00 0.00 O ATOM 0 H GLU A 87 11.963 6.921 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 87 14.736 7.874 -6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.107 9.807 -7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.578 9.468 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.246 11.044 -5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.176 9.565 -4.924 1.00 0.00 H new