USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 636 hydrogens (7 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 NoAdj-H: A 15 HIP H2 : A 15 HIP N : A 14 ILE C :(H bumps) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 146:sc= -0.0478 USER MOD Single : A 12 SER OG : rot -160:sc=-0.00189 USER MOD Single : A 20 THR OG1 : rot 77:sc= 0.734 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.251) USER MOD Single : A 29 TYR OH : rot -39:sc= -3.07! USER MOD Single : A 34 ASN : amide:sc= -0.845 K(o=-0.85,f=-4.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.358) USER MOD Single : A 41 THR OG1 : rot -87:sc= 0.21 USER MOD Single : A 43 ASN : amide:sc= -0.971 K(o=-0.97,f=-5.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 147:sc= -0.793 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -62:sc= 1.16 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 50:sc= 0.0135 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.395 X(o=-0.4,f=-0.09) USER MOD Single : A 75 ASN : amide:sc= -4.27 K(o=-4.3,f=-18!) USER MOD Single : A 80 THR OG1 : rot 73:sc= 0.345 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 14:sc= -1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -6.089 -9.987 -9.425 1.00 0.00 N ATOM 2 CA ALA A 2 -6.713 -9.313 -8.251 1.00 0.00 C ATOM 3 C ALA A 2 -5.847 -8.123 -7.822 1.00 0.00 C ATOM 4 O ALA A 2 -5.522 -7.965 -6.659 1.00 0.00 O ATOM 5 CB ALA A 2 -6.830 -10.312 -7.097 1.00 0.00 C ATOM 0 HA ALA A 2 -7.706 -8.953 -8.520 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.286 -9.822 -6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.450 -11.154 -7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.838 -10.672 -6.826 1.00 0.00 H new ATOM 13 N GLN A 3 -5.476 -7.283 -8.755 1.00 0.00 N ATOM 14 CA GLN A 3 -4.635 -6.098 -8.412 1.00 0.00 C ATOM 15 C GLN A 3 -5.526 -4.861 -8.310 1.00 0.00 C ATOM 16 O GLN A 3 -6.602 -4.814 -8.874 1.00 0.00 O ATOM 17 CB GLN A 3 -3.584 -5.877 -9.504 1.00 0.00 C ATOM 18 CG GLN A 3 -4.267 -5.812 -10.871 1.00 0.00 C ATOM 19 CD GLN A 3 -3.332 -5.135 -11.877 1.00 0.00 C ATOM 20 OE1 GLN A 3 -2.174 -5.489 -11.981 1.00 0.00 O ATOM 21 NE2 GLN A 3 -3.788 -4.169 -12.626 1.00 0.00 N ATOM 0 H GLN A 3 -5.720 -7.368 -9.742 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.135 -6.272 -7.459 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.038 -4.953 -9.315 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.854 -6.687 -9.489 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.519 -6.816 -11.212 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.202 -5.257 -10.796 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.760 -3.872 -12.539 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.173 -3.711 -13.299 1.00 0.00 H new ATOM 30 N LYS A 4 -5.084 -3.858 -7.593 1.00 0.00 N ATOM 31 CA LYS A 4 -5.903 -2.620 -7.452 1.00 0.00 C ATOM 32 C LYS A 4 -4.980 -1.405 -7.358 1.00 0.00 C ATOM 33 O LYS A 4 -3.968 -1.435 -6.682 1.00 0.00 O ATOM 34 CB LYS A 4 -6.760 -2.714 -6.187 1.00 0.00 C ATOM 35 CG LYS A 4 -8.139 -3.272 -6.547 1.00 0.00 C ATOM 36 CD LYS A 4 -9.201 -2.641 -5.643 1.00 0.00 C ATOM 37 CE LYS A 4 -9.655 -1.309 -6.245 1.00 0.00 C ATOM 38 NZ LYS A 4 -10.815 -1.542 -7.151 1.00 0.00 N ATOM 0 H LYS A 4 -4.191 -3.845 -7.100 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.553 -2.514 -8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.275 -3.358 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.862 -1.730 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.366 -3.062 -7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.145 -4.356 -6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.052 -3.314 -5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.796 -2.482 -4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.933 -0.615 -5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.835 -0.849 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.123 -0.637 -7.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.534 -2.189 -7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.598 -1.963 -6.611 1.00 0.00 H new ATOM 52 N THR A 5 -5.324 -0.337 -8.031 1.00 0.00 N ATOM 53 CA THR A 5 -4.474 0.888 -7.988 1.00 0.00 C ATOM 54 C THR A 5 -4.928 1.776 -6.829 1.00 0.00 C ATOM 55 O THR A 5 -6.038 1.655 -6.343 1.00 0.00 O ATOM 56 CB THR A 5 -4.615 1.655 -9.306 1.00 0.00 C ATOM 57 OG1 THR A 5 -4.489 0.749 -10.394 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.521 2.720 -9.398 1.00 0.00 C ATOM 0 H THR A 5 -6.160 -0.262 -8.610 1.00 0.00 H new ATOM 0 HA THR A 5 -3.431 0.605 -7.845 1.00 0.00 H new ATOM 0 HB THR A 5 -5.592 2.137 -9.344 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.581 1.237 -11.239 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.622 3.265 -10.336 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.617 3.414 -8.563 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.543 2.241 -9.360 1.00 0.00 H new ATOM 66 N PHE A 6 -4.076 2.661 -6.380 1.00 0.00 N ATOM 67 CA PHE A 6 -4.447 3.557 -5.249 1.00 0.00 C ATOM 68 C PHE A 6 -3.799 4.928 -5.444 1.00 0.00 C ATOM 69 O PHE A 6 -2.683 5.035 -5.918 1.00 0.00 O ATOM 70 CB PHE A 6 -3.954 2.944 -3.937 1.00 0.00 C ATOM 71 CG PHE A 6 -4.778 1.720 -3.611 1.00 0.00 C ATOM 72 CD1 PHE A 6 -5.951 1.848 -2.859 1.00 0.00 C ATOM 73 CD2 PHE A 6 -4.369 0.458 -4.061 1.00 0.00 C ATOM 74 CE1 PHE A 6 -6.715 0.715 -2.555 1.00 0.00 C ATOM 75 CE2 PHE A 6 -5.133 -0.675 -3.757 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.306 -0.547 -3.003 1.00 0.00 C ATOM 0 H PHE A 6 -3.136 2.801 -6.751 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.530 3.672 -5.217 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.901 2.675 -4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.032 3.673 -3.131 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.267 2.821 -2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.464 0.359 -4.642 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -7.620 0.814 -1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -4.818 -1.648 -4.104 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.895 -1.421 -2.767 1.00 0.00 H new ATOM 86 N LYS A 7 -4.492 5.976 -5.079 1.00 0.00 N ATOM 87 CA LYS A 7 -3.924 7.347 -5.234 1.00 0.00 C ATOM 88 C LYS A 7 -3.395 7.829 -3.881 1.00 0.00 C ATOM 89 O LYS A 7 -4.094 7.793 -2.886 1.00 0.00 O ATOM 90 CB LYS A 7 -5.020 8.300 -5.726 1.00 0.00 C ATOM 91 CG LYS A 7 -4.890 8.495 -7.239 1.00 0.00 C ATOM 92 CD LYS A 7 -4.073 9.757 -7.524 1.00 0.00 C ATOM 93 CE LYS A 7 -4.597 10.433 -8.794 1.00 0.00 C ATOM 94 NZ LYS A 7 -4.543 11.912 -8.627 1.00 0.00 N ATOM 0 H LYS A 7 -5.430 5.940 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.110 7.328 -5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.003 7.896 -5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.936 9.260 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.407 7.627 -7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.878 8.579 -7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.140 10.444 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.020 9.501 -7.644 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.998 10.131 -9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.621 10.116 -8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.899 12.372 -9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.132 12.192 -7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.560 12.207 -8.458 1.00 0.00 H new ATOM 108 N VAL A 8 -2.166 8.273 -3.840 1.00 0.00 N ATOM 109 CA VAL A 8 -1.582 8.755 -2.554 1.00 0.00 C ATOM 110 C VAL A 8 -1.939 10.228 -2.349 1.00 0.00 C ATOM 111 O VAL A 8 -1.822 11.034 -3.253 1.00 0.00 O ATOM 112 CB VAL A 8 -0.058 8.602 -2.590 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.515 8.891 -1.201 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.305 7.172 -3.002 1.00 0.00 C ATOM 0 H VAL A 8 -1.540 8.323 -4.644 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.987 8.164 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 8 0.359 9.304 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.599 8.783 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.259 9.909 -0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.096 8.188 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.389 7.065 -3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.113 6.469 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.103 6.964 -3.991 1.00 0.00 H new ATOM 124 N THR A 9 -2.371 10.583 -1.166 1.00 0.00 N ATOM 125 CA THR A 9 -2.737 12.004 -0.890 1.00 0.00 C ATOM 126 C THR A 9 -2.474 12.325 0.585 1.00 0.00 C ATOM 127 O THR A 9 -3.108 13.189 1.160 1.00 0.00 O ATOM 128 CB THR A 9 -4.221 12.218 -1.200 1.00 0.00 C ATOM 129 OG1 THR A 9 -4.540 11.589 -2.432 1.00 0.00 O ATOM 130 CG2 THR A 9 -4.514 13.716 -1.297 1.00 0.00 C ATOM 0 H THR A 9 -2.486 9.947 -0.377 1.00 0.00 H new ATOM 0 HA THR A 9 -2.135 12.661 -1.517 1.00 0.00 H new ATOM 0 HB THR A 9 -4.825 11.784 -0.403 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.454 11.238 -2.393 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.571 13.866 -1.518 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.269 14.197 -0.350 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.911 14.154 -2.093 1.00 0.00 H new ATOM 138 N ALA A 10 -1.543 11.636 1.197 1.00 0.00 N ATOM 139 CA ALA A 10 -1.234 11.894 2.632 1.00 0.00 C ATOM 140 C ALA A 10 -0.387 13.162 2.752 1.00 0.00 C ATOM 141 O ALA A 10 0.417 13.464 1.889 1.00 0.00 O ATOM 142 CB ALA A 10 -0.461 10.707 3.208 1.00 0.00 C ATOM 0 H ALA A 10 -0.983 10.904 0.760 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.164 12.025 3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.235 10.895 4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.065 9.804 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.469 10.575 2.654 1.00 0.00 H new ATOM 148 N ASP A 11 -0.561 13.904 3.815 1.00 0.00 N ATOM 149 CA ASP A 11 0.232 15.154 4.000 1.00 0.00 C ATOM 150 C ASP A 11 1.713 14.798 4.149 1.00 0.00 C ATOM 151 O ASP A 11 2.545 15.238 3.378 1.00 0.00 O ATOM 152 CB ASP A 11 -0.249 15.881 5.258 1.00 0.00 C ATOM 153 CG ASP A 11 -1.298 16.926 4.874 1.00 0.00 C ATOM 154 OD1 ASP A 11 -2.206 16.582 4.135 1.00 0.00 O ATOM 155 OD2 ASP A 11 -1.177 18.053 5.326 1.00 0.00 O ATOM 0 H ASP A 11 -1.221 13.696 4.565 1.00 0.00 H new ATOM 0 HA ASP A 11 0.099 15.802 3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.673 15.167 5.964 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.592 16.361 5.757 1.00 0.00 H new ATOM 160 N SER A 12 2.044 14.003 5.135 1.00 0.00 N ATOM 161 CA SER A 12 3.468 13.611 5.341 1.00 0.00 C ATOM 162 C SER A 12 3.908 12.680 4.209 1.00 0.00 C ATOM 163 O SER A 12 5.059 12.668 3.816 1.00 0.00 O ATOM 164 CB SER A 12 3.609 12.886 6.681 1.00 0.00 C ATOM 165 OG SER A 12 3.063 11.578 6.569 1.00 0.00 O ATOM 0 H SER A 12 1.386 13.608 5.807 1.00 0.00 H new ATOM 0 HA SER A 12 4.094 14.503 5.343 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.659 12.831 6.968 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.093 13.442 7.464 1.00 0.00 H new ATOM 0 HG SER A 12 2.859 11.231 7.463 1.00 0.00 H new ATOM 171 N GLY A 13 2.996 11.902 3.686 1.00 0.00 N ATOM 172 CA GLY A 13 3.348 10.964 2.580 1.00 0.00 C ATOM 173 C GLY A 13 3.297 9.526 3.098 1.00 0.00 C ATOM 174 O GLY A 13 2.594 9.223 4.043 1.00 0.00 O ATOM 0 H GLY A 13 2.019 11.876 3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.654 11.088 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.344 11.190 2.200 1.00 0.00 H new ATOM 178 N ILE A 14 4.039 8.639 2.484 1.00 0.00 N ATOM 179 CA ILE A 14 4.040 7.217 2.934 1.00 0.00 C ATOM 180 C ILE A 14 5.335 6.927 3.697 1.00 0.00 C ATOM 181 O ILE A 14 6.302 6.450 3.135 1.00 0.00 O ATOM 182 CB ILE A 14 3.949 6.292 1.716 1.00 0.00 C ATOM 183 CG1 ILE A 14 2.764 6.711 0.828 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.758 4.847 2.183 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.447 6.628 1.613 1.00 0.00 C ATOM 0 H ILE A 14 4.645 8.841 1.689 1.00 0.00 H new ATOM 0 HA ILE A 14 3.184 7.042 3.586 1.00 0.00 H new ATOM 0 HB ILE A 14 4.871 6.367 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.915 7.728 0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.713 6.065 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.693 4.190 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.605 4.550 2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.839 4.771 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.620 6.928 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.290 5.604 1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.495 7.293 2.475 1.00 0.00 H new HETATM 197 N HIP A 15 5.356 7.217 4.973 1.00 0.00 N HETATM 198 CA HIP A 15 6.582 6.965 5.780 1.00 0.00 C HETATM 199 CB HIP A 15 6.873 8.172 6.696 1.00 0.00 C HETATM 200 CG HIP A 15 5.734 8.471 7.639 1.00 0.00 C HETATM 201 CD2 HIP A 15 4.463 8.934 7.414 1.00 0.00 C HETATM 202 NE2 HIP A 15 3.808 9.108 8.622 1.00 0.00 N HETATM 203 CE1 HIP A 15 4.684 8.752 9.556 1.00 0.00 C HETATM 204 ND1 HIP A 15 5.864 8.359 9.023 1.00 0.00 N HETATM 205 P HIP A 15 7.159 8.264 9.758 1.00 0.00 P HETATM 206 O1P HIP A 15 8.178 9.117 9.106 1.00 0.00 O HETATM 207 O2P HIP A 15 7.622 6.860 9.801 1.00 0.00 O HETATM 208 O3P HIP A 15 6.814 8.766 11.111 1.00 0.00 O HETATM 209 C HIP A 15 6.423 5.660 6.578 1.00 0.00 C HETATM 210 O HIP A 15 5.582 4.839 6.267 1.00 0.00 O HETATM 0 HE2 HIP A 15 2.854 9.440 8.765 1.00 0.00 H new HETATM 0 HE1 HIP A 15 4.476 8.774 10.626 1.00 0.00 H new HETATM 0 HD2 HIP A 15 4.033 9.135 6.433 1.00 0.00 H new HETATM 0 HB3 HIP A 15 7.776 7.976 7.274 1.00 0.00 H new HETATM 0 HB2 HIP A 15 7.072 9.050 6.082 1.00 0.00 H new HETATM 0 HA HIP A 15 7.439 6.845 5.117 1.00 0.00 H new HETATM 0 H HIP A 15 4.847 8.094 5.080 1.00 0.00 H new ATOM 218 N ALA A 16 7.253 5.439 7.565 1.00 0.00 N ATOM 219 CA ALA A 16 7.194 4.161 8.349 1.00 0.00 C ATOM 220 C ALA A 16 5.842 3.953 9.060 1.00 0.00 C ATOM 221 O ALA A 16 5.357 2.841 9.124 1.00 0.00 O ATOM 222 CB ALA A 16 8.313 4.159 9.389 1.00 0.00 C ATOM 0 H ALA A 16 7.976 6.092 7.866 1.00 0.00 H new ATOM 0 HA ALA A 16 7.314 3.342 7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.275 3.233 9.962 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.277 4.236 8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.186 5.007 10.062 1.00 0.00 H new ATOM 228 N ARG A 17 5.247 4.979 9.624 1.00 0.00 N ATOM 229 CA ARG A 17 3.947 4.780 10.354 1.00 0.00 C ATOM 230 C ARG A 17 2.866 4.199 9.416 1.00 0.00 C ATOM 231 O ARG A 17 2.300 3.166 9.727 1.00 0.00 O ATOM 232 CB ARG A 17 3.468 6.108 10.954 1.00 0.00 C ATOM 233 CG ARG A 17 2.943 5.871 12.373 1.00 0.00 C ATOM 234 CD ARG A 17 2.329 7.164 12.914 1.00 0.00 C ATOM 235 NE ARG A 17 0.891 7.228 12.529 1.00 0.00 N ATOM 236 CZ ARG A 17 -0.030 7.228 13.454 1.00 0.00 C ATOM 237 NH1 ARG A 17 -0.431 6.102 13.975 1.00 0.00 N ATOM 238 NH2 ARG A 17 -0.552 8.355 13.854 1.00 0.00 N ATOM 0 H ARG A 17 5.598 5.936 9.613 1.00 0.00 H new ATOM 0 HA ARG A 17 4.117 4.066 11.160 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.288 6.826 10.974 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.683 6.538 10.332 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.197 5.076 12.368 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.755 5.542 13.022 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.428 7.201 13.999 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.862 8.027 12.516 1.00 0.00 H new ATOM 0 HE ARG A 17 0.627 7.272 11.545 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.025 5.221 13.660 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.151 6.102 14.698 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.240 9.235 13.444 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.272 8.356 14.577 1.00 0.00 H new ATOM 252 N PRO A 18 2.593 4.846 8.294 1.00 0.00 N ATOM 253 CA PRO A 18 1.575 4.341 7.353 1.00 0.00 C ATOM 254 C PRO A 18 2.068 3.061 6.668 1.00 0.00 C ATOM 255 O PRO A 18 1.282 2.265 6.189 1.00 0.00 O ATOM 256 CB PRO A 18 1.389 5.487 6.355 1.00 0.00 C ATOM 257 CG PRO A 18 2.667 6.346 6.442 1.00 0.00 C ATOM 258 CD PRO A 18 3.257 6.095 7.842 1.00 0.00 C ATOM 0 HA PRO A 18 0.637 4.071 7.839 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.246 5.104 5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.506 6.077 6.600 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.378 6.067 5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.437 7.402 6.300 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.340 5.980 7.804 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.049 6.925 8.517 1.00 0.00 H new ATOM 266 N ALA A 19 3.361 2.847 6.641 1.00 0.00 N ATOM 267 CA ALA A 19 3.906 1.609 6.015 1.00 0.00 C ATOM 268 C ALA A 19 3.720 0.430 6.979 1.00 0.00 C ATOM 269 O ALA A 19 3.695 -0.715 6.571 1.00 0.00 O ATOM 270 CB ALA A 19 5.396 1.799 5.723 1.00 0.00 C ATOM 0 H ALA A 19 4.061 3.480 7.027 1.00 0.00 H new ATOM 0 HA ALA A 19 3.377 1.407 5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.795 0.894 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.529 2.639 5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.927 1.999 6.654 1.00 0.00 H new ATOM 276 N THR A 20 3.583 0.705 8.258 1.00 0.00 N ATOM 277 CA THR A 20 3.389 -0.387 9.251 1.00 0.00 C ATOM 278 C THR A 20 1.919 -0.811 9.250 1.00 0.00 C ATOM 279 O THR A 20 1.592 -1.951 9.521 1.00 0.00 O ATOM 280 CB THR A 20 3.770 0.118 10.644 1.00 0.00 C ATOM 281 OG1 THR A 20 4.989 0.845 10.566 1.00 0.00 O ATOM 282 CG2 THR A 20 3.944 -1.070 11.588 1.00 0.00 C ATOM 0 H THR A 20 3.598 1.646 8.651 1.00 0.00 H new ATOM 0 HA THR A 20 4.018 -1.238 8.988 1.00 0.00 H new ATOM 0 HB THR A 20 2.982 0.769 11.023 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.817 1.733 10.188 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.215 -0.710 12.580 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.009 -1.627 11.648 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.732 -1.722 11.211 1.00 0.00 H new ATOM 290 N VAL A 21 1.034 0.102 8.937 1.00 0.00 N ATOM 291 CA VAL A 21 -0.420 -0.236 8.905 1.00 0.00 C ATOM 292 C VAL A 21 -0.683 -1.149 7.714 1.00 0.00 C ATOM 293 O VAL A 21 -1.441 -2.097 7.788 1.00 0.00 O ATOM 294 CB VAL A 21 -1.241 1.039 8.729 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.723 0.726 8.945 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.793 2.096 9.746 1.00 0.00 C ATOM 0 H VAL A 21 1.257 1.069 8.702 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.700 -0.728 9.837 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.089 1.423 7.720 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.309 1.636 8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.048 -0.018 8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.870 0.336 9.952 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.384 3.002 9.613 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.938 1.713 10.756 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.262 2.325 9.592 1.00 0.00 H new ATOM 306 N LEU A 22 -0.061 -0.846 6.611 1.00 0.00 N ATOM 307 CA LEU A 22 -0.248 -1.653 5.380 1.00 0.00 C ATOM 308 C LEU A 22 0.393 -3.032 5.547 1.00 0.00 C ATOM 309 O LEU A 22 -0.236 -4.042 5.312 1.00 0.00 O ATOM 310 CB LEU A 22 0.411 -0.913 4.221 1.00 0.00 C ATOM 311 CG LEU A 22 -0.329 0.401 3.974 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.415 1.201 2.902 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.752 0.106 3.489 1.00 0.00 C ATOM 0 H LEU A 22 0.580 -0.059 6.511 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.311 -1.792 5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.459 -0.716 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.391 -1.530 3.322 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.374 0.974 4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.108 2.140 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.429 1.410 3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.454 0.623 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.278 1.044 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.709 -0.465 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.282 -0.471 4.247 1.00 0.00 H new ATOM 325 N VAL A 23 1.642 -3.082 5.946 1.00 0.00 N ATOM 326 CA VAL A 23 2.327 -4.403 6.123 1.00 0.00 C ATOM 327 C VAL A 23 1.544 -5.266 7.127 1.00 0.00 C ATOM 328 O VAL A 23 1.572 -6.480 7.067 1.00 0.00 O ATOM 329 CB VAL A 23 3.761 -4.169 6.627 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.734 -3.468 7.986 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.483 -5.513 6.767 1.00 0.00 C ATOM 0 H VAL A 23 2.217 -2.266 6.157 1.00 0.00 H new ATOM 0 HA VAL A 23 2.364 -4.927 5.168 1.00 0.00 H new ATOM 0 HB VAL A 23 4.288 -3.540 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.755 -3.308 8.333 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.228 -2.507 7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.200 -4.089 8.705 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.499 -5.345 7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.947 -6.141 7.479 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.517 -6.010 5.798 1.00 0.00 H new ATOM 341 N GLN A 24 0.850 -4.641 8.045 1.00 0.00 N ATOM 342 CA GLN A 24 0.065 -5.409 9.055 1.00 0.00 C ATOM 343 C GLN A 24 -1.131 -6.082 8.374 1.00 0.00 C ATOM 344 O GLN A 24 -1.513 -7.184 8.720 1.00 0.00 O ATOM 345 CB GLN A 24 -0.443 -4.451 10.138 1.00 0.00 C ATOM 346 CG GLN A 24 0.627 -4.267 11.225 1.00 0.00 C ATOM 347 CD GLN A 24 0.089 -4.745 12.576 1.00 0.00 C ATOM 348 OE1 GLN A 24 0.021 -5.932 12.830 1.00 0.00 O ATOM 349 NE2 GLN A 24 -0.299 -3.866 13.459 1.00 0.00 N ATOM 0 H GLN A 24 0.794 -3.627 8.137 1.00 0.00 H new ATOM 0 HA GLN A 24 0.702 -6.170 9.506 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.691 -3.487 9.694 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.359 -4.843 10.581 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.524 -4.828 10.962 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.915 -3.218 11.290 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.242 -2.870 13.246 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.659 -4.175 14.362 1.00 0.00 H new ATOM 358 N THR A 25 -1.725 -5.420 7.415 1.00 0.00 N ATOM 359 CA THR A 25 -2.903 -6.003 6.708 1.00 0.00 C ATOM 360 C THR A 25 -2.451 -7.124 5.766 1.00 0.00 C ATOM 361 O THR A 25 -2.866 -8.259 5.897 1.00 0.00 O ATOM 362 CB THR A 25 -3.592 -4.903 5.896 1.00 0.00 C ATOM 363 OG1 THR A 25 -3.406 -3.651 6.543 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.087 -5.203 5.785 1.00 0.00 C ATOM 0 H THR A 25 -1.443 -4.495 7.090 1.00 0.00 H new ATOM 0 HA THR A 25 -3.596 -6.415 7.441 1.00 0.00 H new ATOM 0 HB THR A 25 -3.158 -4.866 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.845 -2.946 6.023 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.574 -4.418 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.230 -6.162 5.287 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.525 -5.243 6.782 1.00 0.00 H new ATOM 372 N ALA A 26 -1.611 -6.809 4.812 1.00 0.00 N ATOM 373 CA ALA A 26 -1.129 -7.843 3.848 1.00 0.00 C ATOM 374 C ALA A 26 -0.426 -8.982 4.595 1.00 0.00 C ATOM 375 O ALA A 26 -0.357 -10.096 4.111 1.00 0.00 O ATOM 376 CB ALA A 26 -0.149 -7.201 2.865 1.00 0.00 C ATOM 0 H ALA A 26 -1.236 -5.873 4.659 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.984 -8.249 3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.205 -7.953 2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.651 -6.401 2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.699 -6.790 3.413 1.00 0.00 H new ATOM 382 N SER A 27 0.095 -8.713 5.767 1.00 0.00 N ATOM 383 CA SER A 27 0.795 -9.781 6.545 1.00 0.00 C ATOM 384 C SER A 27 -0.187 -10.915 6.850 1.00 0.00 C ATOM 385 O SER A 27 0.159 -12.080 6.799 1.00 0.00 O ATOM 386 CB SER A 27 1.323 -9.194 7.855 1.00 0.00 C ATOM 387 OG SER A 27 1.707 -10.253 8.722 1.00 0.00 O ATOM 0 H SER A 27 0.065 -7.799 6.219 1.00 0.00 H new ATOM 0 HA SER A 27 1.629 -10.171 5.961 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.175 -8.543 7.658 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.556 -8.581 8.328 1.00 0.00 H new ATOM 0 HG SER A 27 2.047 -9.881 9.562 1.00 0.00 H new ATOM 393 N LYS A 28 -1.411 -10.575 7.163 1.00 0.00 N ATOM 394 CA LYS A 28 -2.431 -11.620 7.469 1.00 0.00 C ATOM 395 C LYS A 28 -2.831 -12.351 6.182 1.00 0.00 C ATOM 396 O LYS A 28 -3.301 -13.472 6.223 1.00 0.00 O ATOM 397 CB LYS A 28 -3.665 -10.958 8.085 1.00 0.00 C ATOM 398 CG LYS A 28 -3.506 -10.896 9.605 1.00 0.00 C ATOM 399 CD LYS A 28 -2.823 -9.582 9.994 1.00 0.00 C ATOM 400 CE LYS A 28 -2.091 -9.760 11.325 1.00 0.00 C ATOM 401 NZ LYS A 28 -3.049 -10.247 12.359 1.00 0.00 N ATOM 0 H LYS A 28 -1.748 -9.614 7.220 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.011 -12.339 8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.792 -9.954 7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.561 -11.522 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.481 -10.968 10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.915 -11.743 9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.119 -9.282 9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.563 -8.786 10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.272 -10.470 11.210 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.650 -8.814 11.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.637 -10.112 13.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.938 -9.711 12.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.241 -11.258 12.206 1.00 0.00 H new ATOM 415 N TYR A 29 -2.650 -11.728 5.040 1.00 0.00 N ATOM 416 CA TYR A 29 -3.024 -12.391 3.755 1.00 0.00 C ATOM 417 C TYR A 29 -1.834 -13.190 3.224 1.00 0.00 C ATOM 418 O TYR A 29 -0.738 -12.677 3.092 1.00 0.00 O ATOM 419 CB TYR A 29 -3.433 -11.332 2.727 1.00 0.00 C ATOM 420 CG TYR A 29 -4.721 -10.686 3.172 1.00 0.00 C ATOM 421 CD1 TYR A 29 -5.934 -11.365 3.007 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.705 -9.414 3.756 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.132 -10.772 3.423 1.00 0.00 C ATOM 424 CE2 TYR A 29 -5.904 -8.822 4.174 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.117 -9.501 4.008 1.00 0.00 C ATOM 426 OH TYR A 29 -8.297 -8.919 4.419 1.00 0.00 O ATOM 0 H TYR A 29 -2.260 -10.790 4.946 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.863 -13.065 3.929 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.650 -10.581 2.629 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.561 -11.789 1.746 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.946 -12.347 2.558 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.770 -8.890 3.884 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.068 -11.295 3.292 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.893 -7.841 4.625 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.003 -9.116 3.768 1.00 0.00 H new ATOM 436 N ASP A 30 -2.047 -14.443 2.921 1.00 0.00 N ATOM 437 CA ASP A 30 -0.940 -15.295 2.397 1.00 0.00 C ATOM 438 C ASP A 30 -0.580 -14.864 0.972 1.00 0.00 C ATOM 439 O ASP A 30 0.515 -15.111 0.503 1.00 0.00 O ATOM 440 CB ASP A 30 -1.385 -16.760 2.388 1.00 0.00 C ATOM 441 CG ASP A 30 -1.445 -17.283 3.824 1.00 0.00 C ATOM 442 OD1 ASP A 30 -2.433 -17.018 4.490 1.00 0.00 O ATOM 443 OD2 ASP A 30 -0.503 -17.940 4.235 1.00 0.00 O ATOM 0 H ASP A 30 -2.946 -14.916 3.015 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.066 -15.181 3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.363 -16.851 1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.689 -17.359 1.800 1.00 0.00 H new ATOM 448 N ALA A 31 -1.492 -14.223 0.277 1.00 0.00 N ATOM 449 CA ALA A 31 -1.203 -13.777 -1.119 1.00 0.00 C ATOM 450 C ALA A 31 -0.006 -12.824 -1.119 1.00 0.00 C ATOM 451 O ALA A 31 0.184 -12.053 -0.197 1.00 0.00 O ATOM 452 CB ALA A 31 -2.427 -13.057 -1.688 1.00 0.00 C ATOM 0 H ALA A 31 -2.424 -13.991 0.620 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.972 -14.646 -1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.217 -12.731 -2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.279 -13.737 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.659 -12.189 -1.070 1.00 0.00 H new ATOM 458 N ASP A 32 0.803 -12.876 -2.146 1.00 0.00 N ATOM 459 CA ASP A 32 1.992 -11.980 -2.216 1.00 0.00 C ATOM 460 C ASP A 32 1.606 -10.671 -2.907 1.00 0.00 C ATOM 461 O ASP A 32 1.640 -10.566 -4.119 1.00 0.00 O ATOM 462 CB ASP A 32 3.103 -12.668 -3.013 1.00 0.00 C ATOM 463 CG ASP A 32 3.548 -13.935 -2.281 1.00 0.00 C ATOM 464 OD1 ASP A 32 3.827 -13.844 -1.096 1.00 0.00 O ATOM 465 OD2 ASP A 32 3.602 -14.974 -2.917 1.00 0.00 O ATOM 0 H ASP A 32 0.689 -13.504 -2.942 1.00 0.00 H new ATOM 0 HA ASP A 32 2.346 -11.767 -1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.746 -12.919 -4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.948 -11.991 -3.137 1.00 0.00 H new ATOM 470 N VAL A 33 1.244 -9.674 -2.140 1.00 0.00 N ATOM 471 CA VAL A 33 0.859 -8.365 -2.743 1.00 0.00 C ATOM 472 C VAL A 33 2.114 -7.491 -2.869 1.00 0.00 C ATOM 473 O VAL A 33 2.851 -7.312 -1.917 1.00 0.00 O ATOM 474 CB VAL A 33 -0.199 -7.680 -1.855 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.397 -8.624 -1.655 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.397 -7.334 -0.485 1.00 0.00 C ATOM 0 H VAL A 33 1.199 -9.711 -1.122 1.00 0.00 H new ATOM 0 HA VAL A 33 0.429 -8.515 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.525 -6.764 -2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.143 -8.137 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.838 -8.863 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.060 -9.542 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.362 -6.851 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.735 -8.247 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.242 -6.658 -0.616 1.00 0.00 H new ATOM 486 N ASN A 34 2.372 -6.966 -4.042 1.00 0.00 N ATOM 487 CA ASN A 34 3.590 -6.125 -4.236 1.00 0.00 C ATOM 488 C ASN A 34 3.200 -4.707 -4.657 1.00 0.00 C ATOM 489 O ASN A 34 2.483 -4.508 -5.619 1.00 0.00 O ATOM 490 CB ASN A 34 4.468 -6.752 -5.321 1.00 0.00 C ATOM 491 CG ASN A 34 4.909 -8.149 -4.878 1.00 0.00 C ATOM 492 OD1 ASN A 34 4.095 -8.961 -4.486 1.00 0.00 O ATOM 493 ND2 ASN A 34 6.176 -8.465 -4.923 1.00 0.00 N ATOM 0 H ASN A 34 1.791 -7.084 -4.872 1.00 0.00 H new ATOM 0 HA ASN A 34 4.138 -6.074 -3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.916 -6.814 -6.259 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.340 -6.125 -5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.481 -9.393 -4.629 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.860 -7.784 -5.252 1.00 0.00 H new ATOM 500 N LEU A 35 3.687 -3.721 -3.947 1.00 0.00 N ATOM 501 CA LEU A 35 3.378 -2.305 -4.298 1.00 0.00 C ATOM 502 C LEU A 35 4.445 -1.805 -5.277 1.00 0.00 C ATOM 503 O LEU A 35 5.625 -2.021 -5.076 1.00 0.00 O ATOM 504 CB LEU A 35 3.402 -1.450 -3.029 1.00 0.00 C ATOM 505 CG LEU A 35 2.530 -0.210 -3.228 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.862 0.164 -1.903 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.402 0.956 -3.703 1.00 0.00 C ATOM 0 H LEU A 35 4.290 -3.839 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 35 2.391 -2.236 -4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.038 -2.030 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.425 -1.154 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 35 1.765 -0.422 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.241 1.048 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.241 -0.665 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.628 0.375 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.781 1.840 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.167 1.166 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.879 0.692 -4.647 1.00 0.00 H new ATOM 519 N GLU A 36 4.041 -1.153 -6.338 1.00 0.00 N ATOM 520 CA GLU A 36 5.037 -0.655 -7.336 1.00 0.00 C ATOM 521 C GLU A 36 5.061 0.874 -7.339 1.00 0.00 C ATOM 522 O GLU A 36 4.034 1.521 -7.432 1.00 0.00 O ATOM 523 CB GLU A 36 4.656 -1.160 -8.729 1.00 0.00 C ATOM 524 CG GLU A 36 5.846 -0.989 -9.675 1.00 0.00 C ATOM 525 CD GLU A 36 5.662 -1.889 -10.897 1.00 0.00 C ATOM 526 OE1 GLU A 36 5.538 -3.089 -10.711 1.00 0.00 O ATOM 527 OE2 GLU A 36 5.648 -1.364 -11.998 1.00 0.00 O ATOM 0 H GLU A 36 3.067 -0.944 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 36 6.026 -1.025 -7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.364 -2.209 -8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.796 -0.607 -9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.929 0.052 -9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.773 -1.243 -9.160 1.00 0.00 H new ATOM 534 N TYR A 37 6.232 1.453 -7.247 1.00 0.00 N ATOM 535 CA TYR A 37 6.344 2.941 -7.253 1.00 0.00 C ATOM 536 C TYR A 37 7.775 3.346 -7.622 1.00 0.00 C ATOM 537 O TYR A 37 8.734 2.772 -7.143 1.00 0.00 O ATOM 538 CB TYR A 37 5.999 3.489 -5.866 1.00 0.00 C ATOM 539 CG TYR A 37 5.974 4.998 -5.914 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.126 5.656 -6.812 1.00 0.00 C ATOM 541 CD2 TYR A 37 6.800 5.740 -5.062 1.00 0.00 C ATOM 542 CE1 TYR A 37 5.103 7.055 -6.859 1.00 0.00 C ATOM 543 CE2 TYR A 37 6.779 7.139 -5.108 1.00 0.00 C ATOM 544 CZ TYR A 37 5.930 7.796 -6.007 1.00 0.00 C ATOM 545 OH TYR A 37 5.908 9.175 -6.052 1.00 0.00 O ATOM 0 H TYR A 37 7.119 0.955 -7.168 1.00 0.00 H new ATOM 0 HA TYR A 37 5.650 3.352 -7.986 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.030 3.108 -5.543 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.734 3.150 -5.136 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.488 5.084 -7.470 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.454 5.233 -4.368 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.448 7.562 -7.552 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.417 7.711 -4.451 1.00 0.00 H new ATOM 0 HH TYR A 37 6.541 9.534 -5.395 1.00 0.00 H new ATOM 555 N ASN A 38 7.920 4.337 -8.466 1.00 0.00 N ATOM 556 CA ASN A 38 9.284 4.800 -8.873 1.00 0.00 C ATOM 557 C ASN A 38 10.032 3.658 -9.570 1.00 0.00 C ATOM 558 O ASN A 38 11.226 3.498 -9.406 1.00 0.00 O ATOM 559 CB ASN A 38 10.066 5.251 -7.626 1.00 0.00 C ATOM 560 CG ASN A 38 10.553 6.693 -7.810 1.00 0.00 C ATOM 561 OD1 ASN A 38 11.404 6.959 -8.635 1.00 0.00 O ATOM 562 ND2 ASN A 38 10.045 7.639 -7.068 1.00 0.00 N ATOM 0 H ASN A 38 7.148 4.849 -8.893 1.00 0.00 H new ATOM 0 HA ASN A 38 9.191 5.638 -9.563 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.431 5.182 -6.743 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.916 4.589 -7.460 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.363 8.602 -7.181 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.330 7.416 -6.375 1.00 0.00 H new ATOM 569 N GLY A 39 9.337 2.869 -10.352 1.00 0.00 N ATOM 570 CA GLY A 39 10.001 1.738 -11.068 1.00 0.00 C ATOM 571 C GLY A 39 10.629 0.774 -10.057 1.00 0.00 C ATOM 572 O GLY A 39 11.608 0.112 -10.346 1.00 0.00 O ATOM 0 H GLY A 39 8.336 2.961 -10.525 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.273 1.209 -11.683 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.768 2.123 -11.741 1.00 0.00 H new ATOM 576 N LYS A 40 10.069 0.691 -8.877 1.00 0.00 N ATOM 577 CA LYS A 40 10.624 -0.228 -7.841 1.00 0.00 C ATOM 578 C LYS A 40 9.505 -1.130 -7.319 1.00 0.00 C ATOM 579 O LYS A 40 8.591 -0.677 -6.657 1.00 0.00 O ATOM 580 CB LYS A 40 11.200 0.591 -6.685 1.00 0.00 C ATOM 581 CG LYS A 40 12.386 1.418 -7.185 1.00 0.00 C ATOM 582 CD LYS A 40 13.328 1.719 -6.017 1.00 0.00 C ATOM 583 CE LYS A 40 14.150 2.969 -6.331 1.00 0.00 C ATOM 584 NZ LYS A 40 14.838 2.796 -7.641 1.00 0.00 N ATOM 0 H LYS A 40 9.248 1.223 -8.587 1.00 0.00 H new ATOM 0 HA LYS A 40 11.414 -0.838 -8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.433 1.247 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.519 -0.071 -5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.919 0.874 -7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.032 2.348 -7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.754 1.869 -5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.990 0.871 -5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.502 3.845 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.883 3.142 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.616 3.481 -7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.219 1.831 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.160 2.955 -8.413 1.00 0.00 H new ATOM 598 N THR A 41 9.568 -2.404 -7.621 1.00 0.00 N ATOM 599 CA THR A 41 8.506 -3.339 -7.150 1.00 0.00 C ATOM 600 C THR A 41 8.884 -3.908 -5.783 1.00 0.00 C ATOM 601 O THR A 41 9.485 -4.962 -5.685 1.00 0.00 O ATOM 602 CB THR A 41 8.351 -4.486 -8.150 1.00 0.00 C ATOM 603 OG1 THR A 41 8.219 -3.956 -9.462 1.00 0.00 O ATOM 604 CG2 THR A 41 7.106 -5.306 -7.801 1.00 0.00 C ATOM 0 H THR A 41 10.310 -2.834 -8.173 1.00 0.00 H new ATOM 0 HA THR A 41 7.565 -2.796 -7.068 1.00 0.00 H new ATOM 0 HB THR A 41 9.231 -5.128 -8.105 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.277 -3.755 -9.640 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.997 -6.123 -8.514 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.209 -5.714 -6.795 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.225 -4.666 -7.845 1.00 0.00 H new ATOM 612 N VAL A 42 8.523 -3.224 -4.728 1.00 0.00 N ATOM 613 CA VAL A 42 8.844 -3.733 -3.355 1.00 0.00 C ATOM 614 C VAL A 42 7.627 -4.457 -2.795 1.00 0.00 C ATOM 615 O VAL A 42 6.498 -4.086 -3.054 1.00 0.00 O ATOM 616 CB VAL A 42 9.227 -2.598 -2.378 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.742 -2.397 -2.391 1.00 0.00 C ATOM 618 CG2 VAL A 42 8.528 -1.279 -2.745 1.00 0.00 C ATOM 0 H VAL A 42 8.021 -2.337 -4.755 1.00 0.00 H new ATOM 0 HA VAL A 42 9.700 -4.402 -3.449 1.00 0.00 H new ATOM 0 HB VAL A 42 8.899 -2.888 -1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.009 -1.596 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.234 -3.320 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.065 -2.132 -3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.820 -0.503 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.820 -0.980 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.447 -1.417 -2.707 1.00 0.00 H new ATOM 628 N ASN A 43 7.852 -5.474 -2.011 1.00 0.00 N ATOM 629 CA ASN A 43 6.719 -6.222 -1.403 1.00 0.00 C ATOM 630 C ASN A 43 6.122 -5.357 -0.298 1.00 0.00 C ATOM 631 O ASN A 43 6.813 -4.546 0.294 1.00 0.00 O ATOM 632 CB ASN A 43 7.237 -7.531 -0.802 1.00 0.00 C ATOM 633 CG ASN A 43 6.113 -8.571 -0.760 1.00 0.00 C ATOM 634 OD1 ASN A 43 4.964 -8.260 -1.010 1.00 0.00 O ATOM 635 ND2 ASN A 43 6.398 -9.806 -0.449 1.00 0.00 N ATOM 0 H ASN A 43 8.779 -5.821 -1.764 1.00 0.00 H new ATOM 0 HA ASN A 43 5.965 -6.451 -2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.070 -7.908 -1.395 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.617 -7.353 0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.658 -10.507 -0.416 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.361 -10.070 -0.239 1.00 0.00 H new ATOM 642 N LEU A 44 4.855 -5.516 -0.004 1.00 0.00 N ATOM 643 CA LEU A 44 4.247 -4.690 1.078 1.00 0.00 C ATOM 644 C LEU A 44 4.799 -5.113 2.443 1.00 0.00 C ATOM 645 O LEU A 44 4.579 -4.446 3.437 1.00 0.00 O ATOM 646 CB LEU A 44 2.732 -4.830 1.078 1.00 0.00 C ATOM 647 CG LEU A 44 2.147 -3.708 1.936 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.946 -2.460 1.083 1.00 0.00 C ATOM 649 CD2 LEU A 44 0.824 -4.168 2.534 1.00 0.00 C ATOM 0 H LEU A 44 4.224 -6.174 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 44 4.504 -3.647 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.345 -4.771 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.440 -5.803 1.474 1.00 0.00 H new ATOM 0 HG LEU A 44 2.835 -3.466 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.529 -1.662 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.905 -2.140 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.260 -2.684 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.404 -3.370 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.128 -4.414 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.991 -5.050 3.152 1.00 0.00 H new ATOM 661 N LYS A 45 5.537 -6.195 2.511 1.00 0.00 N ATOM 662 CA LYS A 45 6.121 -6.614 3.813 1.00 0.00 C ATOM 663 C LYS A 45 7.483 -5.927 3.964 1.00 0.00 C ATOM 664 O LYS A 45 8.476 -6.559 4.279 1.00 0.00 O ATOM 665 CB LYS A 45 6.298 -8.136 3.829 1.00 0.00 C ATOM 666 CG LYS A 45 4.929 -8.810 3.962 1.00 0.00 C ATOM 667 CD LYS A 45 4.912 -10.104 3.143 1.00 0.00 C ATOM 668 CE LYS A 45 3.522 -10.310 2.538 1.00 0.00 C ATOM 669 NZ LYS A 45 3.235 -11.769 2.438 1.00 0.00 N ATOM 0 H LYS A 45 5.757 -6.801 1.721 1.00 0.00 H new ATOM 0 HA LYS A 45 5.465 -6.331 4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.789 -8.465 2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.941 -8.429 4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.720 -9.028 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.146 -8.137 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.660 -10.056 2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.173 -10.951 3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.769 -9.822 3.156 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.471 -9.850 1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.290 -11.910 2.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.948 -12.222 1.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.267 -12.195 3.386 1.00 0.00 H new ATOM 683 N SER A 46 7.539 -4.632 3.734 1.00 0.00 N ATOM 684 CA SER A 46 8.837 -3.906 3.855 1.00 0.00 C ATOM 685 C SER A 46 8.570 -2.460 4.271 1.00 0.00 C ATOM 686 O SER A 46 8.296 -1.606 3.449 1.00 0.00 O ATOM 687 CB SER A 46 9.575 -3.933 2.510 1.00 0.00 C ATOM 688 OG SER A 46 10.653 -3.008 2.551 1.00 0.00 O ATOM 0 H SER A 46 6.742 -4.054 3.469 1.00 0.00 H new ATOM 0 HA SER A 46 9.457 -4.392 4.609 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.949 -4.937 2.306 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.891 -3.677 1.701 1.00 0.00 H new ATOM 0 HG SER A 46 11.396 -3.347 2.009 1.00 0.00 H new ATOM 694 N ILE A 47 8.643 -2.186 5.548 1.00 0.00 N ATOM 695 CA ILE A 47 8.390 -0.801 6.041 1.00 0.00 C ATOM 696 C ILE A 47 9.614 0.073 5.763 1.00 0.00 C ATOM 697 O ILE A 47 9.493 1.230 5.401 1.00 0.00 O ATOM 698 CB ILE A 47 8.114 -0.839 7.543 1.00 0.00 C ATOM 699 CG1 ILE A 47 6.994 -1.857 7.817 1.00 0.00 C ATOM 700 CG2 ILE A 47 7.690 0.559 8.008 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.634 -1.862 9.306 1.00 0.00 C ATOM 0 H ILE A 47 8.868 -2.867 6.274 1.00 0.00 H new ATOM 0 HA ILE A 47 7.526 -0.383 5.525 1.00 0.00 H new ATOM 0 HB ILE A 47 9.009 -1.138 8.088 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.114 -1.608 7.224 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.315 -2.852 7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.491 0.541 9.080 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.489 1.270 7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.788 0.861 7.476 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.840 -2.587 9.486 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.512 -2.133 9.892 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.293 -0.870 9.601 1.00 0.00 H new ATOM 713 N MET A 48 10.792 -0.473 5.927 1.00 0.00 N ATOM 714 CA MET A 48 12.034 0.314 5.674 1.00 0.00 C ATOM 715 C MET A 48 12.240 0.472 4.166 1.00 0.00 C ATOM 716 O MET A 48 12.737 1.481 3.702 1.00 0.00 O ATOM 717 CB MET A 48 13.232 -0.422 6.279 1.00 0.00 C ATOM 718 CG MET A 48 14.486 0.445 6.147 1.00 0.00 C ATOM 719 SD MET A 48 14.684 1.461 7.632 1.00 0.00 S ATOM 720 CE MET A 48 16.153 2.370 7.087 1.00 0.00 C ATOM 0 H MET A 48 10.946 -1.436 6.227 1.00 0.00 H new ATOM 0 HA MET A 48 11.942 1.299 6.132 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.042 -0.647 7.328 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.381 -1.375 5.771 1.00 0.00 H new ATOM 0 HG2 MET A 48 15.363 -0.186 6.007 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.408 1.082 5.266 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.458 3.070 7.865 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.964 1.668 6.892 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.923 2.920 6.175 1.00 0.00 H new ATOM 730 N GLY A 49 11.863 -0.520 3.399 1.00 0.00 N ATOM 731 CA GLY A 49 12.036 -0.439 1.918 1.00 0.00 C ATOM 732 C GLY A 49 11.206 0.720 1.365 1.00 0.00 C ATOM 733 O GLY A 49 11.644 1.446 0.492 1.00 0.00 O ATOM 0 H GLY A 49 11.441 -1.385 3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.088 -0.295 1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.725 -1.375 1.454 1.00 0.00 H new ATOM 737 N VAL A 50 10.010 0.899 1.869 1.00 0.00 N ATOM 738 CA VAL A 50 9.144 2.013 1.379 1.00 0.00 C ATOM 739 C VAL A 50 9.825 3.354 1.671 1.00 0.00 C ATOM 740 O VAL A 50 9.622 4.327 0.969 1.00 0.00 O ATOM 741 CB VAL A 50 7.787 1.958 2.090 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.861 3.032 1.515 1.00 0.00 C ATOM 743 CG2 VAL A 50 7.153 0.580 1.878 1.00 0.00 C ATOM 0 H VAL A 50 9.596 0.320 2.600 1.00 0.00 H new ATOM 0 HA VAL A 50 8.992 1.911 0.305 1.00 0.00 H new ATOM 0 HB VAL A 50 7.933 2.135 3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.897 2.991 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.308 4.015 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.718 2.856 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.188 0.542 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.011 0.405 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.808 -0.189 2.288 1.00 0.00 H new ATOM 753 N VAL A 51 10.633 3.411 2.702 1.00 0.00 N ATOM 754 CA VAL A 51 11.334 4.684 3.043 1.00 0.00 C ATOM 755 C VAL A 51 12.274 5.068 1.897 1.00 0.00 C ATOM 756 O VAL A 51 12.459 6.234 1.600 1.00 0.00 O ATOM 757 CB VAL A 51 12.146 4.495 4.326 1.00 0.00 C ATOM 758 CG1 VAL A 51 12.741 5.835 4.757 1.00 0.00 C ATOM 759 CG2 VAL A 51 11.233 3.964 5.434 1.00 0.00 C ATOM 0 H VAL A 51 10.836 2.627 3.322 1.00 0.00 H new ATOM 0 HA VAL A 51 10.599 5.474 3.194 1.00 0.00 H new ATOM 0 HB VAL A 51 12.950 3.782 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.319 5.699 5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.392 6.214 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.937 6.548 4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.811 3.829 6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.428 4.677 5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.809 3.008 5.129 1.00 0.00 H new ATOM 769 N SER A 52 12.866 4.094 1.255 1.00 0.00 N ATOM 770 CA SER A 52 13.796 4.389 0.126 1.00 0.00 C ATOM 771 C SER A 52 13.021 5.065 -1.006 1.00 0.00 C ATOM 772 O SER A 52 13.539 5.921 -1.699 1.00 0.00 O ATOM 773 CB SER A 52 14.408 3.083 -0.386 1.00 0.00 C ATOM 774 OG SER A 52 13.422 2.352 -1.104 1.00 0.00 O ATOM 0 H SER A 52 12.744 3.103 1.466 1.00 0.00 H new ATOM 0 HA SER A 52 14.590 5.051 0.472 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.261 3.296 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.780 2.490 0.450 1.00 0.00 H new ATOM 0 HG SER A 52 12.684 2.120 -0.502 1.00 0.00 H new ATOM 780 N LEU A 53 11.782 4.687 -1.194 1.00 0.00 N ATOM 781 CA LEU A 53 10.963 5.303 -2.279 1.00 0.00 C ATOM 782 C LEU A 53 10.729 6.781 -1.960 1.00 0.00 C ATOM 783 O LEU A 53 11.094 7.654 -2.724 1.00 0.00 O ATOM 784 CB LEU A 53 9.616 4.581 -2.376 1.00 0.00 C ATOM 785 CG LEU A 53 9.852 3.092 -2.633 1.00 0.00 C ATOM 786 CD1 LEU A 53 8.561 2.318 -2.362 1.00 0.00 C ATOM 787 CD2 LEU A 53 10.272 2.888 -4.089 1.00 0.00 C ATOM 0 H LEU A 53 11.302 3.977 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 53 11.490 5.214 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.052 4.717 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.019 5.010 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 53 10.639 2.728 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.728 1.257 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.260 2.465 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.774 2.681 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.441 1.827 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.484 3.251 -4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.191 3.441 -4.283 1.00 0.00 H new ATOM 799 N GLY A 54 10.120 7.064 -0.836 1.00 0.00 N ATOM 800 CA GLY A 54 9.858 8.484 -0.457 1.00 0.00 C ATOM 801 C GLY A 54 8.607 8.983 -1.182 1.00 0.00 C ATOM 802 O GLY A 54 8.679 9.842 -2.040 1.00 0.00 O ATOM 0 H GLY A 54 9.793 6.370 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.723 8.565 0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.715 9.105 -0.718 1.00 0.00 H new ATOM 806 N ILE A 55 7.462 8.448 -0.843 1.00 0.00 N ATOM 807 CA ILE A 55 6.198 8.884 -1.507 1.00 0.00 C ATOM 808 C ILE A 55 5.705 10.179 -0.864 1.00 0.00 C ATOM 809 O ILE A 55 6.123 10.541 0.221 1.00 0.00 O ATOM 810 CB ILE A 55 5.132 7.796 -1.346 1.00 0.00 C ATOM 811 CG1 ILE A 55 5.698 6.451 -1.809 1.00 0.00 C ATOM 812 CG2 ILE A 55 3.910 8.152 -2.194 1.00 0.00 C ATOM 813 CD1 ILE A 55 4.695 5.339 -1.503 1.00 0.00 C ATOM 0 H ILE A 55 7.348 7.725 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 55 6.386 9.053 -2.567 1.00 0.00 H new ATOM 0 HB ILE A 55 4.841 7.726 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.907 6.482 -2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.644 6.250 -1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.150 7.378 -2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.505 9.109 -1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.202 8.222 -3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.100 4.383 -1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.508 5.303 -0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.760 5.538 -2.027 1.00 0.00 H new ATOM 825 N ALA A 56 4.822 10.880 -1.526 1.00 0.00 N ATOM 826 CA ALA A 56 4.297 12.157 -0.965 1.00 0.00 C ATOM 827 C ALA A 56 2.893 12.417 -1.516 1.00 0.00 C ATOM 828 O ALA A 56 2.379 11.651 -2.309 1.00 0.00 O ATOM 829 CB ALA A 56 5.232 13.303 -1.361 1.00 0.00 C ATOM 0 H ALA A 56 4.441 10.620 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 56 4.247 12.090 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.852 14.240 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.229 13.112 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.281 13.374 -2.448 1.00 0.00 H new ATOM 835 N LYS A 57 2.271 13.491 -1.099 1.00 0.00 N ATOM 836 CA LYS A 57 0.898 13.809 -1.592 1.00 0.00 C ATOM 837 C LYS A 57 0.931 14.024 -3.108 1.00 0.00 C ATOM 838 O LYS A 57 1.828 14.655 -3.633 1.00 0.00 O ATOM 839 CB LYS A 57 0.384 15.078 -0.901 1.00 0.00 C ATOM 840 CG LYS A 57 1.343 16.242 -1.169 1.00 0.00 C ATOM 841 CD LYS A 57 1.290 17.227 0.000 1.00 0.00 C ATOM 842 CE LYS A 57 0.219 18.286 -0.273 1.00 0.00 C ATOM 843 NZ LYS A 57 -0.206 18.905 1.015 1.00 0.00 N ATOM 0 H LYS A 57 2.657 14.163 -0.436 1.00 0.00 H new ATOM 0 HA LYS A 57 0.231 12.978 -1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.612 15.324 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.295 14.908 0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.359 15.868 -1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.070 16.746 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.065 16.697 0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.262 17.703 0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.610 19.050 -0.945 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.638 17.832 -0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.934 19.625 0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.595 18.171 1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.614 19.351 1.473 1.00 0.00 H new ATOM 857 N GLY A 58 -0.042 13.502 -3.810 1.00 0.00 N ATOM 858 CA GLY A 58 -0.078 13.670 -5.293 1.00 0.00 C ATOM 859 C GLY A 58 0.806 12.610 -5.950 1.00 0.00 C ATOM 860 O GLY A 58 1.508 12.882 -6.906 1.00 0.00 O ATOM 0 H GLY A 58 -0.815 12.965 -3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.102 13.579 -5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.269 14.667 -5.565 1.00 0.00 H new ATOM 864 N ALA A 59 0.775 11.404 -5.443 1.00 0.00 N ATOM 865 CA ALA A 59 1.612 10.318 -6.031 1.00 0.00 C ATOM 866 C ALA A 59 0.708 9.177 -6.505 1.00 0.00 C ATOM 867 O ALA A 59 -0.500 9.237 -6.372 1.00 0.00 O ATOM 868 CB ALA A 59 2.582 9.790 -4.972 1.00 0.00 C ATOM 0 H ALA A 59 0.204 11.125 -4.645 1.00 0.00 H new ATOM 0 HA ALA A 59 2.175 10.713 -6.877 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.193 8.997 -5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.226 10.601 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.018 9.396 -4.126 1.00 0.00 H new ATOM 874 N GLU A 60 1.288 8.142 -7.057 1.00 0.00 N ATOM 875 CA GLU A 60 0.472 6.991 -7.544 1.00 0.00 C ATOM 876 C GLU A 60 1.164 5.680 -7.161 1.00 0.00 C ATOM 877 O GLU A 60 2.369 5.629 -7.010 1.00 0.00 O ATOM 878 CB GLU A 60 0.338 7.068 -9.066 1.00 0.00 C ATOM 879 CG GLU A 60 -0.346 8.382 -9.455 1.00 0.00 C ATOM 880 CD GLU A 60 -1.237 8.152 -10.678 1.00 0.00 C ATOM 881 OE1 GLU A 60 -0.702 7.804 -11.719 1.00 0.00 O ATOM 882 OE2 GLU A 60 -2.437 8.328 -10.553 1.00 0.00 O ATOM 0 H GLU A 60 2.294 8.045 -7.191 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.518 7.029 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.322 7.007 -9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.242 6.221 -9.434 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.943 8.754 -8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.403 9.143 -9.675 1.00 0.00 H new ATOM 889 N ILE A 61 0.407 4.623 -7.007 1.00 0.00 N ATOM 890 CA ILE A 61 1.014 3.309 -6.635 1.00 0.00 C ATOM 891 C ILE A 61 0.167 2.173 -7.214 1.00 0.00 C ATOM 892 O ILE A 61 -1.043 2.167 -7.091 1.00 0.00 O ATOM 893 CB ILE A 61 1.076 3.183 -5.108 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.300 3.498 -4.509 1.00 0.00 C ATOM 895 CG2 ILE A 61 2.111 4.167 -4.560 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.270 3.267 -2.995 1.00 0.00 C ATOM 0 H ILE A 61 -0.606 4.613 -7.123 1.00 0.00 H new ATOM 0 HA ILE A 61 2.024 3.249 -7.040 1.00 0.00 H new ATOM 0 HB ILE A 61 1.361 2.166 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.573 4.531 -4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.060 2.866 -4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.157 4.080 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.089 3.940 -4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.825 5.184 -4.830 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.250 3.492 -2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.017 2.227 -2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.478 3.918 -2.542 1.00 0.00 H new ATOM 908 N THR A 62 0.796 1.215 -7.846 1.00 0.00 N ATOM 909 CA THR A 62 0.036 0.076 -8.441 1.00 0.00 C ATOM 910 C THR A 62 0.276 -1.189 -7.613 1.00 0.00 C ATOM 911 O THR A 62 1.342 -1.773 -7.653 1.00 0.00 O ATOM 912 CB THR A 62 0.509 -0.157 -9.878 1.00 0.00 C ATOM 913 OG1 THR A 62 0.914 1.079 -10.447 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.634 -0.752 -10.704 1.00 0.00 C ATOM 0 H THR A 62 1.807 1.173 -7.976 1.00 0.00 H new ATOM 0 HA THR A 62 -1.028 0.311 -8.442 1.00 0.00 H new ATOM 0 HB THR A 62 1.351 -0.850 -9.876 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.219 0.931 -11.367 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.296 -0.917 -11.727 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.944 -1.701 -10.266 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.478 -0.062 -10.708 1.00 0.00 H new ATOM 922 N ILE A 63 -0.711 -1.615 -6.868 1.00 0.00 N ATOM 923 CA ILE A 63 -0.555 -2.843 -6.035 1.00 0.00 C ATOM 924 C ILE A 63 -1.080 -4.052 -6.816 1.00 0.00 C ATOM 925 O ILE A 63 -1.930 -3.922 -7.677 1.00 0.00 O ATOM 926 CB ILE A 63 -1.348 -2.671 -4.734 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.811 -1.454 -3.976 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.198 -3.921 -3.860 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.683 -1.187 -2.747 1.00 0.00 C ATOM 0 H ILE A 63 -1.623 -1.162 -6.801 1.00 0.00 H new ATOM 0 HA ILE A 63 0.496 -3.002 -5.796 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.402 -2.526 -4.971 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.221 -1.629 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.807 -0.580 -4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.764 -3.790 -2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.577 -4.789 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.146 -4.074 -3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.298 -0.320 -2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.708 -0.992 -3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.665 -2.058 -2.092 1.00 0.00 H new ATOM 941 N SER A 64 -0.578 -5.224 -6.518 1.00 0.00 N ATOM 942 CA SER A 64 -1.041 -6.445 -7.238 1.00 0.00 C ATOM 943 C SER A 64 -0.983 -7.650 -6.298 1.00 0.00 C ATOM 944 O SER A 64 0.080 -8.141 -5.968 1.00 0.00 O ATOM 945 CB SER A 64 -0.137 -6.698 -8.446 1.00 0.00 C ATOM 946 OG SER A 64 1.199 -6.341 -8.114 1.00 0.00 O ATOM 0 H SER A 64 0.134 -5.386 -5.806 1.00 0.00 H new ATOM 0 HA SER A 64 -2.067 -6.298 -7.574 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.184 -7.747 -8.737 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.480 -6.115 -9.300 1.00 0.00 H new ATOM 0 HG SER A 64 1.448 -6.760 -7.264 1.00 0.00 H new ATOM 952 N ALA A 65 -2.122 -8.131 -5.868 1.00 0.00 N ATOM 953 CA ALA A 65 -2.148 -9.310 -4.953 1.00 0.00 C ATOM 954 C ALA A 65 -2.210 -10.590 -5.789 1.00 0.00 C ATOM 955 O ALA A 65 -3.075 -10.746 -6.630 1.00 0.00 O ATOM 956 CB ALA A 65 -3.382 -9.228 -4.050 1.00 0.00 C ATOM 0 H ALA A 65 -3.038 -7.756 -6.113 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.250 -9.317 -4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.402 -10.089 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.341 -8.312 -3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.283 -9.225 -4.664 1.00 0.00 H new ATOM 962 N SER A 66 -1.298 -11.505 -5.568 1.00 0.00 N ATOM 963 CA SER A 66 -1.301 -12.774 -6.354 1.00 0.00 C ATOM 964 C SER A 66 -1.136 -13.966 -5.405 1.00 0.00 C ATOM 965 O SER A 66 -0.067 -14.206 -4.879 1.00 0.00 O ATOM 966 CB SER A 66 -0.151 -12.748 -7.366 1.00 0.00 C ATOM 967 OG SER A 66 -0.684 -12.810 -8.682 1.00 0.00 O ATOM 0 H SER A 66 -0.552 -11.426 -4.877 1.00 0.00 H new ATOM 0 HA SER A 66 -2.247 -12.872 -6.887 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.438 -11.839 -7.242 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.520 -13.589 -7.193 1.00 0.00 H new ATOM 0 HG SER A 66 0.048 -12.792 -9.333 1.00 0.00 H new ATOM 973 N GLY A 67 -2.190 -14.713 -5.190 1.00 0.00 N ATOM 974 CA GLY A 67 -2.103 -15.893 -4.279 1.00 0.00 C ATOM 975 C GLY A 67 -3.496 -16.498 -4.089 1.00 0.00 C ATOM 976 O GLY A 67 -4.315 -16.487 -4.990 1.00 0.00 O ATOM 0 H GLY A 67 -3.107 -14.556 -5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.426 -16.638 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.692 -15.592 -3.316 1.00 0.00 H new ATOM 980 N ALA A 68 -3.767 -17.026 -2.922 1.00 0.00 N ATOM 981 CA ALA A 68 -5.104 -17.635 -2.661 1.00 0.00 C ATOM 982 C ALA A 68 -6.102 -16.537 -2.285 1.00 0.00 C ATOM 983 O ALA A 68 -7.119 -16.366 -2.929 1.00 0.00 O ATOM 984 CB ALA A 68 -4.990 -18.635 -1.508 1.00 0.00 C ATOM 0 H ALA A 68 -3.117 -17.061 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.451 -18.149 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.966 -19.081 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.279 -19.417 -1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.644 -18.120 -0.612 1.00 0.00 H new ATOM 990 N ASP A 69 -5.814 -15.794 -1.247 1.00 0.00 N ATOM 991 CA ASP A 69 -6.738 -14.703 -0.819 1.00 0.00 C ATOM 992 C ASP A 69 -6.255 -13.371 -1.401 1.00 0.00 C ATOM 993 O ASP A 69 -6.244 -12.355 -0.731 1.00 0.00 O ATOM 994 CB ASP A 69 -6.757 -14.622 0.711 1.00 0.00 C ATOM 995 CG ASP A 69 -5.327 -14.484 1.237 1.00 0.00 C ATOM 996 OD1 ASP A 69 -4.650 -13.559 0.818 1.00 0.00 O ATOM 997 OD2 ASP A 69 -4.933 -15.305 2.048 1.00 0.00 O ATOM 0 H ASP A 69 -4.975 -15.897 -0.676 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.745 -14.912 -1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.357 -13.771 1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.223 -15.515 1.126 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.854 -13.375 -2.647 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.366 -12.119 -3.288 1.00 0.00 C ATOM 1004 C GLU A 70 -6.505 -11.098 -3.362 1.00 0.00 C ATOM 1005 O GLU A 70 -6.277 -9.904 -3.339 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.865 -12.427 -4.702 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.947 -13.176 -5.485 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.599 -13.172 -6.976 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.422 -13.218 -7.290 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -6.517 -13.124 -7.777 1.00 0.00 O ATOM 0 H GLU A 70 -5.844 -14.198 -3.249 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.551 -11.707 -2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.607 -11.501 -5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.957 -13.028 -4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.028 -14.201 -5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.917 -12.704 -5.326 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.726 -11.560 -3.455 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.884 -10.620 -3.534 1.00 0.00 C ATOM 1019 C ASN A 71 -9.199 -10.077 -2.138 1.00 0.00 C ATOM 1020 O ASN A 71 -9.622 -8.946 -1.981 1.00 0.00 O ATOM 1021 CB ASN A 71 -10.107 -11.361 -4.080 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.784 -11.930 -5.462 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -9.503 -13.105 -5.598 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -9.815 -11.142 -6.502 1.00 0.00 N ATOM 0 H ASN A 71 -7.971 -12.550 -3.480 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.634 -9.792 -4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.391 -12.165 -3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.958 -10.683 -4.144 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.604 -11.512 -7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.051 -10.156 -6.388 1.00 0.00 H new ATOM 1031 N ASP A 72 -8.998 -10.879 -1.125 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.285 -10.424 0.269 1.00 0.00 C ATOM 1033 C ASP A 72 -8.173 -9.488 0.758 1.00 0.00 C ATOM 1034 O ASP A 72 -8.371 -8.708 1.670 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.366 -11.640 1.196 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.346 -12.666 0.620 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -11.404 -12.258 0.169 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -10.019 -13.841 0.637 1.00 0.00 O ATOM 0 H ASP A 72 -8.646 -11.833 -1.203 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.234 -9.888 0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.379 -12.089 1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.691 -11.331 2.189 1.00 0.00 H new ATOM 1043 N ALA A 73 -7.004 -9.564 0.171 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.885 -8.683 0.614 1.00 0.00 C ATOM 1045 C ALA A 73 -6.016 -7.294 -0.018 1.00 0.00 C ATOM 1046 O ALA A 73 -5.793 -6.290 0.633 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.549 -9.300 0.198 1.00 0.00 C ATOM 0 H ALA A 73 -6.779 -10.198 -0.595 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.927 -8.587 1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.733 -8.654 0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.442 -10.281 0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.519 -9.405 -0.887 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.351 -7.226 -1.285 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.466 -5.897 -1.958 1.00 0.00 C ATOM 1055 C LEU A 74 -7.612 -5.079 -1.350 1.00 0.00 C ATOM 1056 O LEU A 74 -7.473 -3.890 -1.129 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.686 -6.086 -3.468 1.00 0.00 C ATOM 1058 CG LEU A 74 -8.022 -6.782 -3.747 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -9.138 -5.735 -3.883 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.907 -7.579 -5.050 1.00 0.00 C ATOM 0 H LEU A 74 -6.549 -8.032 -1.879 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.536 -5.349 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.666 -5.117 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.871 -6.676 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.262 -7.453 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.085 -6.237 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.216 -5.164 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.905 -5.060 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.854 -8.078 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.667 -6.903 -5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.118 -8.325 -4.952 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.740 -5.694 -1.084 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.878 -4.924 -0.498 1.00 0.00 C ATOM 1074 C ASN A 75 -9.601 -4.643 0.981 1.00 0.00 C ATOM 1075 O ASN A 75 -10.142 -3.713 1.545 1.00 0.00 O ATOM 1076 CB ASN A 75 -11.198 -5.691 -0.659 1.00 0.00 C ATOM 1077 CG ASN A 75 -11.038 -7.140 -0.203 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -10.054 -7.492 0.408 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -11.980 -8.001 -0.475 1.00 0.00 N ATOM 0 H ASN A 75 -8.919 -6.685 -1.246 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.972 -3.978 -1.031 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.980 -5.205 -0.076 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.515 -5.665 -1.702 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.887 -8.971 -0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.809 -7.704 -0.990 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.755 -5.424 1.616 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.442 -5.168 3.053 1.00 0.00 C ATOM 1088 C ALA A 76 -7.676 -3.846 3.162 1.00 0.00 C ATOM 1089 O ALA A 76 -8.107 -2.919 3.823 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.584 -6.308 3.613 1.00 0.00 C ATOM 0 H ALA A 76 -8.273 -6.221 1.201 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.368 -5.111 3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.360 -6.113 4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.128 -7.249 3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.653 -6.374 3.049 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.539 -3.757 2.517 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.735 -2.500 2.576 1.00 0.00 C ATOM 1098 C LEU A 77 -6.529 -1.348 1.957 1.00 0.00 C ATOM 1099 O LEU A 77 -6.353 -0.203 2.322 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.430 -2.689 1.799 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.709 -3.957 2.290 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.475 -4.903 1.111 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.361 -3.580 2.913 1.00 0.00 C ATOM 0 H LEU A 77 -6.133 -4.503 1.952 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.511 -2.268 3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.640 -2.769 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.787 -1.819 1.933 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.328 -4.452 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.964 -5.800 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.433 -5.179 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.861 -4.405 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.855 -4.481 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.743 -3.080 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.525 -2.910 3.757 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.395 -1.641 1.019 1.00 0.00 N ATOM 1116 CA GLU A 78 -8.198 -0.561 0.367 1.00 0.00 C ATOM 1117 C GLU A 78 -9.068 0.148 1.413 1.00 0.00 C ATOM 1118 O GLU A 78 -9.003 1.354 1.567 1.00 0.00 O ATOM 1119 CB GLU A 78 -9.094 -1.183 -0.711 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.885 -0.085 -1.437 1.00 0.00 C ATOM 1121 CD GLU A 78 -9.839 -0.329 -2.946 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -10.405 -1.319 -3.381 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -9.238 0.475 -3.640 1.00 0.00 O ATOM 0 H GLU A 78 -7.581 -2.583 0.676 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.526 0.167 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.485 -1.737 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.781 -1.897 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.919 -0.079 -1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.465 0.894 -1.204 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.884 -0.588 2.125 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.768 0.035 3.156 1.00 0.00 C ATOM 1132 C GLU A 79 -9.920 0.772 4.199 1.00 0.00 C ATOM 1133 O GLU A 79 -10.370 1.724 4.809 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.597 -1.054 3.842 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.667 -2.131 4.401 1.00 0.00 C ATOM 1136 CD GLU A 79 -11.419 -2.967 5.439 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -12.319 -3.692 5.048 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -11.081 -2.868 6.607 1.00 0.00 O ATOM 0 H GLU A 79 -9.976 -1.600 2.035 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.434 0.750 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.192 -0.620 4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.295 -1.496 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.308 -2.770 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.791 -1.669 4.856 1.00 0.00 H new ATOM 1145 N THR A 80 -8.699 0.344 4.402 1.00 0.00 N ATOM 1146 CA THR A 80 -7.820 1.026 5.397 1.00 0.00 C ATOM 1147 C THR A 80 -7.419 2.397 4.848 1.00 0.00 C ATOM 1148 O THR A 80 -7.315 3.364 5.577 1.00 0.00 O ATOM 1149 CB THR A 80 -6.566 0.182 5.635 1.00 0.00 C ATOM 1150 OG1 THR A 80 -6.946 -1.137 6.000 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.733 0.804 6.756 1.00 0.00 C ATOM 0 H THR A 80 -8.274 -0.449 3.921 1.00 0.00 H new ATOM 0 HA THR A 80 -8.354 1.148 6.339 1.00 0.00 H new ATOM 0 HB THR A 80 -5.972 0.149 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.289 -1.608 5.212 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.841 0.201 6.924 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.440 1.815 6.473 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.324 0.840 7.671 1.00 0.00 H new ATOM 1159 N MET A 81 -7.198 2.478 3.561 1.00 0.00 N ATOM 1160 CA MET A 81 -6.808 3.774 2.935 1.00 0.00 C ATOM 1161 C MET A 81 -8.010 4.722 2.934 1.00 0.00 C ATOM 1162 O MET A 81 -7.860 5.929 2.993 1.00 0.00 O ATOM 1163 CB MET A 81 -6.359 3.518 1.494 1.00 0.00 C ATOM 1164 CG MET A 81 -4.913 3.011 1.487 1.00 0.00 C ATOM 1165 SD MET A 81 -3.778 4.396 1.207 1.00 0.00 S ATOM 1166 CE MET A 81 -2.392 3.424 0.568 1.00 0.00 C ATOM 0 H MET A 81 -7.272 1.694 2.913 1.00 0.00 H new ATOM 0 HA MET A 81 -5.993 4.225 3.500 1.00 0.00 H new ATOM 0 HB2 MET A 81 -7.014 2.785 1.023 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.436 4.435 0.910 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.683 2.527 2.436 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.785 2.260 0.707 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.563 4.089 0.325 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.072 2.706 1.323 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.705 2.891 -0.330 1.00 0.00 H new ATOM 1176 N LYS A 82 -9.200 4.182 2.864 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.423 5.039 2.853 1.00 0.00 C ATOM 1178 C LYS A 82 -10.820 5.415 4.286 1.00 0.00 C ATOM 1179 O LYS A 82 -11.521 6.385 4.505 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.572 4.272 2.196 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.281 4.095 0.704 1.00 0.00 C ATOM 1182 CD LYS A 82 -11.890 2.779 0.217 1.00 0.00 C ATOM 1183 CE LYS A 82 -13.277 3.045 -0.372 1.00 0.00 C ATOM 1184 NZ LYS A 82 -14.306 2.914 0.698 1.00 0.00 N ATOM 0 H LYS A 82 -9.377 3.179 2.814 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.214 5.949 2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.692 3.299 2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.509 4.812 2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.696 4.930 0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.205 4.096 0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.245 2.324 -0.535 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.964 2.072 1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.314 4.044 -0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.483 2.340 -1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.248 3.095 0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.276 1.952 1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.112 3.603 1.452 1.00 0.00 H new ATOM 1198 N SER A 83 -10.388 4.653 5.263 1.00 0.00 N ATOM 1199 CA SER A 83 -10.750 4.964 6.678 1.00 0.00 C ATOM 1200 C SER A 83 -9.930 6.159 7.172 1.00 0.00 C ATOM 1201 O SER A 83 -10.457 7.237 7.380 1.00 0.00 O ATOM 1202 CB SER A 83 -10.458 3.748 7.558 1.00 0.00 C ATOM 1203 OG SER A 83 -9.278 3.104 7.096 1.00 0.00 O ATOM 0 H SER A 83 -9.800 3.829 5.139 1.00 0.00 H new ATOM 0 HA SER A 83 -11.811 5.208 6.732 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.334 4.058 8.596 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.299 3.055 7.530 1.00 0.00 H new ATOM 0 HG SER A 83 -8.805 3.695 6.474 1.00 0.00 H new ATOM 1209 N GLU A 84 -8.649 5.974 7.366 1.00 0.00 N ATOM 1210 CA GLU A 84 -7.789 7.093 7.852 1.00 0.00 C ATOM 1211 C GLU A 84 -7.794 8.231 6.829 1.00 0.00 C ATOM 1212 O GLU A 84 -7.619 9.385 7.174 1.00 0.00 O ATOM 1213 CB GLU A 84 -6.358 6.587 8.044 1.00 0.00 C ATOM 1214 CG GLU A 84 -6.214 5.983 9.442 1.00 0.00 C ATOM 1215 CD GLU A 84 -5.903 7.091 10.449 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -5.026 7.891 10.167 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -6.548 7.121 11.485 1.00 0.00 O ATOM 0 H GLU A 84 -8.161 5.092 7.208 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.178 7.461 8.801 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.121 5.840 7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.651 7.406 7.916 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.133 5.469 9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.418 5.239 9.447 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.990 7.915 5.573 1.00 0.00 N ATOM 1225 CA GLY A 85 -8.005 8.975 4.523 1.00 0.00 C ATOM 1226 C GLY A 85 -6.596 9.143 3.954 1.00 0.00 C ATOM 1227 O GLY A 85 -6.149 10.245 3.693 1.00 0.00 O ATOM 0 H GLY A 85 -8.140 6.966 5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.701 8.706 3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.353 9.917 4.946 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.893 8.055 3.761 1.00 0.00 N ATOM 1232 CA LEU A 86 -4.509 8.138 3.210 1.00 0.00 C ATOM 1233 C LEU A 86 -4.576 8.269 1.688 1.00 0.00 C ATOM 1234 O LEU A 86 -4.047 9.201 1.112 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.740 6.869 3.577 1.00 0.00 C ATOM 1236 CG LEU A 86 -3.506 6.833 5.088 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.851 5.506 5.466 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -2.582 7.987 5.491 1.00 0.00 C ATOM 0 H LEU A 86 -6.221 7.110 3.963 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.001 9.006 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.301 5.988 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.786 6.844 3.050 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.460 6.933 5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.683 5.477 6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.505 4.683 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.897 5.410 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.416 7.961 6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.628 7.887 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.044 8.936 5.218 1.00 0.00 H new ATOM 1250 N GLY A 87 -5.226 7.339 1.035 1.00 0.00 N ATOM 1251 CA GLY A 87 -5.338 7.396 -0.452 1.00 0.00 C ATOM 1252 C GLY A 87 -6.662 6.768 -0.887 1.00 0.00 C ATOM 1253 O GLY A 87 -7.414 6.263 -0.074 1.00 0.00 O ATOM 0 H GLY A 87 -5.686 6.540 1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.284 8.430 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.503 6.866 -0.911 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.953 6.798 -2.162 1.00 0.00 N ATOM 1258 CA GLU A 88 -8.229 6.203 -2.659 1.00 0.00 C ATOM 1259 C GLU A 88 -7.944 5.337 -3.888 1.00 0.00 C ATOM 1260 O GLU A 88 -7.933 5.876 -4.982 1.00 0.00 O ATOM 1261 CB GLU A 88 -9.209 7.323 -3.033 1.00 0.00 C ATOM 1262 CG GLU A 88 -8.518 8.347 -3.948 1.00 0.00 C ATOM 1263 CD GLU A 88 -8.321 9.666 -3.196 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -9.258 10.104 -2.550 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -7.234 10.216 -3.280 1.00 0.00 O ATOM 1266 OXT GLU A 88 -7.741 4.147 -3.713 1.00 0.00 O ATOM 0 H GLU A 88 -6.360 7.210 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.670 5.586 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.079 6.902 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.571 7.816 -2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.555 7.960 -4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.119 8.514 -4.842 1.00 0.00 H new TER 1273 GLU A 88