USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.057) 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 180:sc= 0 USER MOD Single : A 12 SER OG : rot -81:sc= 0.0833 USER MOD Single : A 15 HIS :FLIP no HD1:sc= -4.47! C(o=-5.1!,f=-4.5!) USER MOD Single : A 20 THR OG1 : rot 98:sc= 1.24 USER MOD Single : A 24 GLN : amide:sc= -0.345 K(o=-0.35,f=-2.1!) USER MOD Single : A 25 THR OG1 : rot 75:sc= 0.1 USER MOD Single : A 27 SER OG : rot -26:sc= 0.957 USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= -0.387 (180deg=-0.945) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 34 ASN : amide:sc= -1.52 K(o=-1.5,f=-9.7!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc=-0.00708 F(o=-0.93,f=-0.0071) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -76:sc= 0.321 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 6:sc= 0.978 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.1!) USER MOD Single : A 75 ASN : amide:sc= -5.27 K(o=-5.3,f=-18!) USER MOD Single : A 80 THR OG1 : rot 71:sc= 0.965 USER MOD Single : A 81 MET CE :methyl 143:sc= -2.29 (180deg=-4.78!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -61:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 11.107 -0.451 10.334 1.00 0.00 N ATOM 2 CA ALA A 2 10.876 -1.364 9.173 1.00 0.00 C ATOM 3 C ALA A 2 9.408 -1.277 8.748 1.00 0.00 C ATOM 4 O ALA A 2 8.801 -2.261 8.371 1.00 0.00 O ATOM 5 CB ALA A 2 11.205 -2.802 9.581 1.00 0.00 C ATOM 0 HA ALA A 2 11.516 -1.069 8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.037 -3.468 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.249 -2.863 9.889 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.564 -3.101 10.411 1.00 0.00 H new ATOM 11 N GLN A 3 8.839 -0.100 8.808 1.00 0.00 N ATOM 12 CA GLN A 3 7.411 0.077 8.413 1.00 0.00 C ATOM 13 C GLN A 3 7.026 1.546 8.588 1.00 0.00 C ATOM 14 O GLN A 3 7.639 2.266 9.354 1.00 0.00 O ATOM 15 CB GLN A 3 6.516 -0.790 9.307 1.00 0.00 C ATOM 16 CG GLN A 3 6.815 -0.489 10.776 1.00 0.00 C ATOM 17 CD GLN A 3 5.728 -1.106 11.658 1.00 0.00 C ATOM 18 OE1 GLN A 3 5.365 -2.252 11.483 1.00 0.00 O ATOM 19 NE2 GLN A 3 5.188 -0.388 12.606 1.00 0.00 N ATOM 0 H GLN A 3 9.307 0.752 9.116 1.00 0.00 H new ATOM 0 HA GLN A 3 7.280 -0.222 7.373 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.466 -0.591 9.091 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.690 -1.846 9.099 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.791 -0.891 11.049 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.859 0.588 10.935 1.00 0.00 H new ATOM 0 HE21 GLN A 3 5.493 0.574 12.753 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.462 -0.790 13.199 1.00 0.00 H new ATOM 28 N LYS A 4 6.018 1.993 7.886 1.00 0.00 N ATOM 29 CA LYS A 4 5.590 3.417 8.010 1.00 0.00 C ATOM 30 C LYS A 4 4.065 3.496 7.933 1.00 0.00 C ATOM 31 O LYS A 4 3.392 2.499 7.750 1.00 0.00 O ATOM 32 CB LYS A 4 6.215 4.240 6.875 1.00 0.00 C ATOM 33 CG LYS A 4 6.859 5.508 7.445 1.00 0.00 C ATOM 34 CD LYS A 4 6.807 6.623 6.397 1.00 0.00 C ATOM 35 CE LYS A 4 7.685 7.799 6.842 1.00 0.00 C ATOM 36 NZ LYS A 4 6.818 8.957 7.198 1.00 0.00 N ATOM 0 H LYS A 4 5.472 1.433 7.231 1.00 0.00 H new ATOM 0 HA LYS A 4 5.923 3.819 8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.964 3.645 6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.452 4.506 6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.336 5.819 8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.893 5.308 7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.151 6.245 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.779 6.957 6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.293 7.509 7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.372 8.077 6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.412 9.755 7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.256 9.238 6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.180 8.687 7.974 1.00 0.00 H new ATOM 50 N THR A 5 3.516 4.676 8.072 1.00 0.00 N ATOM 51 CA THR A 5 2.034 4.830 8.009 1.00 0.00 C ATOM 52 C THR A 5 1.677 5.876 6.950 1.00 0.00 C ATOM 53 O THR A 5 2.168 6.990 6.977 1.00 0.00 O ATOM 54 CB THR A 5 1.510 5.284 9.373 1.00 0.00 C ATOM 55 OG1 THR A 5 2.060 4.456 10.388 1.00 0.00 O ATOM 56 CG2 THR A 5 -0.015 5.179 9.395 1.00 0.00 C ATOM 0 H THR A 5 4.034 5.541 8.227 1.00 0.00 H new ATOM 0 HA THR A 5 1.579 3.875 7.746 1.00 0.00 H new ATOM 0 HB THR A 5 1.802 6.319 9.550 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.727 4.746 11.263 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.388 5.502 10.367 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.435 5.815 8.615 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.311 4.145 9.219 1.00 0.00 H new ATOM 64 N PHE A 6 0.828 5.524 6.019 1.00 0.00 N ATOM 65 CA PHE A 6 0.434 6.490 4.952 1.00 0.00 C ATOM 66 C PHE A 6 -1.035 6.877 5.127 1.00 0.00 C ATOM 67 O PHE A 6 -1.838 6.099 5.606 1.00 0.00 O ATOM 68 CB PHE A 6 0.630 5.841 3.581 1.00 0.00 C ATOM 69 CG PHE A 6 2.105 5.736 3.284 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.874 4.739 3.896 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.705 6.638 2.397 1.00 0.00 C ATOM 72 CE1 PHE A 6 4.243 4.643 3.621 1.00 0.00 C ATOM 73 CE2 PHE A 6 4.074 6.542 2.122 1.00 0.00 C ATOM 74 CZ PHE A 6 4.843 5.544 2.734 1.00 0.00 C ATOM 0 H PHE A 6 0.390 4.605 5.952 1.00 0.00 H new ATOM 0 HA PHE A 6 1.054 7.383 5.025 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.173 4.851 3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.134 6.433 2.812 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.411 4.044 4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.112 7.407 1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.836 3.874 4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.537 7.237 1.438 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.899 5.470 2.521 1.00 0.00 H new ATOM 84 N LYS A 7 -1.389 8.077 4.741 1.00 0.00 N ATOM 85 CA LYS A 7 -2.804 8.527 4.879 1.00 0.00 C ATOM 86 C LYS A 7 -3.469 8.537 3.501 1.00 0.00 C ATOM 87 O LYS A 7 -3.157 9.357 2.658 1.00 0.00 O ATOM 88 CB LYS A 7 -2.834 9.938 5.470 1.00 0.00 C ATOM 89 CG LYS A 7 -4.249 10.263 5.955 1.00 0.00 C ATOM 90 CD LYS A 7 -4.540 11.748 5.720 1.00 0.00 C ATOM 91 CE LYS A 7 -3.734 12.590 6.711 1.00 0.00 C ATOM 92 NZ LYS A 7 -4.573 12.888 7.907 1.00 0.00 N ATOM 0 H LYS A 7 -0.755 8.765 4.335 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.342 7.846 5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.129 10.011 6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.520 10.664 4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.977 9.650 5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.345 10.026 7.014 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.280 12.023 4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.605 11.944 5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.832 12.055 7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.412 13.518 6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.026 13.460 8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.421 13.415 7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.859 11.997 8.361 1.00 0.00 H new ATOM 106 N VAL A 8 -4.384 7.629 3.269 1.00 0.00 N ATOM 107 CA VAL A 8 -5.077 7.575 1.947 1.00 0.00 C ATOM 108 C VAL A 8 -5.855 8.876 1.729 1.00 0.00 C ATOM 109 O VAL A 8 -6.748 9.209 2.485 1.00 0.00 O ATOM 110 CB VAL A 8 -6.045 6.387 1.927 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.673 6.258 0.536 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.285 5.099 2.261 1.00 0.00 C ATOM 0 H VAL A 8 -4.681 6.921 3.941 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.341 7.455 1.152 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.829 6.550 2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.361 5.413 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.217 7.172 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.889 6.098 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.975 4.255 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.499 4.938 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.839 5.186 3.252 1.00 0.00 H new ATOM 122 N THR A 9 -5.518 9.612 0.700 1.00 0.00 N ATOM 123 CA THR A 9 -6.230 10.895 0.425 1.00 0.00 C ATOM 124 C THR A 9 -6.894 10.840 -0.955 1.00 0.00 C ATOM 125 O THR A 9 -7.169 11.861 -1.557 1.00 0.00 O ATOM 126 CB THR A 9 -5.224 12.046 0.449 1.00 0.00 C ATOM 127 OG1 THR A 9 -4.367 11.902 1.572 1.00 0.00 O ATOM 128 CG2 THR A 9 -5.970 13.378 0.538 1.00 0.00 C ATOM 0 H THR A 9 -4.779 9.378 0.038 1.00 0.00 H new ATOM 0 HA THR A 9 -6.993 11.050 1.187 1.00 0.00 H new ATOM 0 HB THR A 9 -4.630 12.028 -0.464 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.721 12.639 1.587 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.251 14.197 0.555 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.624 13.487 -0.327 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.567 13.400 1.450 1.00 0.00 H new ATOM 136 N ALA A 10 -7.153 9.660 -1.462 1.00 0.00 N ATOM 137 CA ALA A 10 -7.797 9.540 -2.802 1.00 0.00 C ATOM 138 C ALA A 10 -9.190 10.171 -2.759 1.00 0.00 C ATOM 139 O ALA A 10 -9.826 10.223 -1.725 1.00 0.00 O ATOM 140 CB ALA A 10 -7.914 8.063 -3.178 1.00 0.00 C ATOM 0 H ALA A 10 -6.945 8.774 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.190 10.057 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.384 7.973 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.920 7.616 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.521 7.545 -2.435 1.00 0.00 H new ATOM 146 N ASP A 11 -9.658 10.661 -3.879 1.00 0.00 N ATOM 147 CA ASP A 11 -11.004 11.304 -3.919 1.00 0.00 C ATOM 148 C ASP A 11 -12.106 10.252 -3.752 1.00 0.00 C ATOM 149 O ASP A 11 -13.200 10.563 -3.319 1.00 0.00 O ATOM 150 CB ASP A 11 -11.183 12.016 -5.262 1.00 0.00 C ATOM 151 CG ASP A 11 -10.931 11.028 -6.402 1.00 0.00 C ATOM 152 OD1 ASP A 11 -11.807 10.222 -6.667 1.00 0.00 O ATOM 153 OD2 ASP A 11 -9.864 11.095 -6.993 1.00 0.00 O ATOM 0 H ASP A 11 -9.163 10.643 -4.770 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.077 12.022 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.191 12.425 -5.337 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.492 12.856 -5.335 1.00 0.00 H new ATOM 158 N SER A 12 -11.836 9.017 -4.100 1.00 0.00 N ATOM 159 CA SER A 12 -12.884 7.960 -3.967 1.00 0.00 C ATOM 160 C SER A 12 -12.316 6.730 -3.255 1.00 0.00 C ATOM 161 O SER A 12 -12.729 5.613 -3.512 1.00 0.00 O ATOM 162 CB SER A 12 -13.376 7.556 -5.358 1.00 0.00 C ATOM 163 OG SER A 12 -12.263 7.180 -6.159 1.00 0.00 O ATOM 0 H SER A 12 -10.940 8.698 -4.468 1.00 0.00 H new ATOM 0 HA SER A 12 -13.712 8.357 -3.379 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.080 6.727 -5.281 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.910 8.385 -5.823 1.00 0.00 H new ATOM 0 HG SER A 12 -11.835 7.983 -6.522 1.00 0.00 H new ATOM 169 N GLY A 13 -11.379 6.920 -2.360 1.00 0.00 N ATOM 170 CA GLY A 13 -10.792 5.762 -1.631 1.00 0.00 C ATOM 171 C GLY A 13 -9.799 5.041 -2.539 1.00 0.00 C ATOM 172 O GLY A 13 -9.162 5.649 -3.378 1.00 0.00 O ATOM 0 H GLY A 13 -10.997 7.830 -2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.291 6.104 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.580 5.077 -1.320 1.00 0.00 H new ATOM 176 N ILE A 14 -9.660 3.753 -2.375 1.00 0.00 N ATOM 177 CA ILE A 14 -8.702 2.990 -3.224 1.00 0.00 C ATOM 178 C ILE A 14 -9.462 1.983 -4.089 1.00 0.00 C ATOM 179 O ILE A 14 -10.145 1.109 -3.590 1.00 0.00 O ATOM 180 CB ILE A 14 -7.705 2.261 -2.325 1.00 0.00 C ATOM 181 CG1 ILE A 14 -7.043 3.275 -1.387 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.634 1.588 -3.185 1.00 0.00 C ATOM 183 CD1 ILE A 14 -6.282 2.535 -0.286 1.00 0.00 C ATOM 0 H ILE A 14 -10.169 3.196 -1.689 1.00 0.00 H new ATOM 0 HA ILE A 14 -8.165 3.677 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.226 1.502 -1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.361 3.913 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.799 3.925 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.924 1.069 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.105 0.872 -3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.109 2.344 -3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.812 3.258 0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.976 1.915 0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.516 1.903 -0.735 1.00 0.00 H new ATOM 195 N HIS A 15 -9.338 2.103 -5.385 1.00 0.00 N ATOM 196 CA HIS A 15 -10.040 1.160 -6.309 1.00 0.00 C ATOM 197 C HIS A 15 -8.996 0.270 -6.997 1.00 0.00 C ATOM 198 O HIS A 15 -7.846 0.237 -6.597 1.00 0.00 O ATOM 199 CB HIS A 15 -10.876 1.932 -7.362 1.00 0.00 C ATOM 200 CG HIS A 15 -10.263 3.274 -7.687 1.00 0.00 C ATOM 201 ND1 HIS A 15 -10.193 4.445 -6.974 1.00 0.00 N flip ATOM 202 CD2 HIS A 15 -9.632 3.526 -8.894 1.00 0.00 C flip ATOM 203 CE1 HIS A 15 -9.530 5.411 -7.724 1.00 0.00 C flip ATOM 204 NE2 HIS A 15 -9.213 4.805 -8.871 1.00 0.00 N flip ATOM 0 H HIS A 15 -8.777 2.818 -5.847 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.729 0.541 -5.734 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.954 1.337 -8.272 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.890 2.076 -6.988 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.500 2.825 -9.705 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.317 6.431 -7.440 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.714 5.257 -9.637 1.00 0.00 H new ATOM 212 N ALA A 16 -9.384 -0.468 -8.008 1.00 0.00 N ATOM 213 CA ALA A 16 -8.417 -1.373 -8.701 1.00 0.00 C ATOM 214 C ALA A 16 -7.323 -0.569 -9.420 1.00 0.00 C ATOM 215 O ALA A 16 -6.274 -1.102 -9.733 1.00 0.00 O ATOM 216 CB ALA A 16 -9.171 -2.225 -9.723 1.00 0.00 C ATOM 0 H ALA A 16 -10.332 -0.482 -8.384 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.942 -2.008 -7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.471 -2.887 -10.232 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.928 -2.820 -9.213 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.652 -1.575 -10.454 1.00 0.00 H new ATOM 222 N ARG A 17 -7.550 0.694 -9.700 1.00 0.00 N ATOM 223 CA ARG A 17 -6.506 1.496 -10.413 1.00 0.00 C ATOM 224 C ARG A 17 -5.274 1.696 -9.491 1.00 0.00 C ATOM 225 O ARG A 17 -4.191 1.279 -9.854 1.00 0.00 O ATOM 226 CB ARG A 17 -7.110 2.834 -10.891 1.00 0.00 C ATOM 227 CG ARG A 17 -6.011 3.770 -11.430 1.00 0.00 C ATOM 228 CD ARG A 17 -6.339 4.186 -12.868 1.00 0.00 C ATOM 229 NE ARG A 17 -5.402 5.261 -13.300 1.00 0.00 N ATOM 230 CZ ARG A 17 -5.616 6.496 -12.940 1.00 0.00 C ATOM 231 NH1 ARG A 17 -6.800 7.022 -13.087 1.00 0.00 N ATOM 232 NH2 ARG A 17 -4.645 7.207 -12.434 1.00 0.00 N ATOM 0 H ARG A 17 -8.405 1.199 -9.468 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.163 0.961 -11.298 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.849 2.647 -11.670 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.633 3.317 -10.066 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.930 4.653 -10.796 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.045 3.266 -11.399 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.256 3.327 -13.534 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.368 4.539 -12.930 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.593 5.031 -13.877 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.559 6.467 -13.484 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.967 7.988 -12.805 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.718 6.797 -12.320 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.813 8.173 -12.153 1.00 0.00 H new ATOM 246 N PRO A 18 -5.446 2.294 -8.321 1.00 0.00 N ATOM 247 CA PRO A 18 -4.317 2.484 -7.387 1.00 0.00 C ATOM 248 C PRO A 18 -3.890 1.142 -6.779 1.00 0.00 C ATOM 249 O PRO A 18 -2.779 0.997 -6.305 1.00 0.00 O ATOM 250 CB PRO A 18 -4.877 3.419 -6.312 1.00 0.00 C ATOM 251 CG PRO A 18 -6.410 3.266 -6.373 1.00 0.00 C ATOM 252 CD PRO A 18 -6.734 2.823 -7.810 1.00 0.00 C ATOM 0 HA PRO A 18 -3.431 2.893 -7.872 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.497 3.152 -5.326 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.580 4.451 -6.499 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.758 2.529 -5.649 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.906 4.207 -6.133 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.513 2.061 -7.827 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.091 3.657 -8.414 1.00 0.00 H new ATOM 260 N ALA A 19 -4.761 0.161 -6.792 1.00 0.00 N ATOM 261 CA ALA A 19 -4.405 -1.172 -6.221 1.00 0.00 C ATOM 262 C ALA A 19 -3.488 -1.915 -7.196 1.00 0.00 C ATOM 263 O ALA A 19 -2.695 -2.745 -6.798 1.00 0.00 O ATOM 264 CB ALA A 19 -5.680 -1.989 -6.001 1.00 0.00 C ATOM 0 H ALA A 19 -5.704 0.229 -7.175 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.891 -1.034 -5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.421 -2.962 -5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.336 -1.461 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.193 -2.127 -6.953 1.00 0.00 H new ATOM 270 N THR A 20 -3.592 -1.621 -8.469 1.00 0.00 N ATOM 271 CA THR A 20 -2.727 -2.304 -9.474 1.00 0.00 C ATOM 272 C THR A 20 -1.347 -1.644 -9.483 1.00 0.00 C ATOM 273 O THR A 20 -0.345 -2.287 -9.733 1.00 0.00 O ATOM 274 CB THR A 20 -3.363 -2.184 -10.862 1.00 0.00 C ATOM 275 OG1 THR A 20 -4.691 -2.683 -10.816 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.549 -2.992 -11.874 1.00 0.00 C ATOM 0 H THR A 20 -4.241 -0.935 -8.854 1.00 0.00 H new ATOM 0 HA THR A 20 -2.626 -3.358 -9.214 1.00 0.00 H new ATOM 0 HB THR A 20 -3.376 -1.137 -11.165 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.318 -1.936 -10.718 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.005 -2.904 -12.860 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.529 -2.609 -11.910 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.532 -4.040 -11.574 1.00 0.00 H new ATOM 284 N VAL A 21 -1.289 -0.366 -9.207 1.00 0.00 N ATOM 285 CA VAL A 21 0.026 0.342 -9.190 1.00 0.00 C ATOM 286 C VAL A 21 0.753 0.021 -7.882 1.00 0.00 C ATOM 287 O VAL A 21 1.968 -0.033 -7.833 1.00 0.00 O ATOM 288 CB VAL A 21 -0.201 1.852 -9.289 1.00 0.00 C ATOM 289 CG1 VAL A 21 1.146 2.565 -9.418 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.060 2.165 -10.517 1.00 0.00 C ATOM 0 H VAL A 21 -2.097 0.218 -8.992 1.00 0.00 H new ATOM 0 HA VAL A 21 0.628 0.012 -10.037 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.713 2.198 -8.391 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.983 3.640 -9.488 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.758 2.347 -8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.658 2.216 -10.315 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.220 3.241 -10.585 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.551 1.817 -11.416 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.022 1.660 -10.426 1.00 0.00 H new ATOM 300 N LEU A 22 0.013 -0.194 -6.824 1.00 0.00 N ATOM 301 CA LEU A 22 0.643 -0.513 -5.511 1.00 0.00 C ATOM 302 C LEU A 22 1.138 -1.959 -5.524 1.00 0.00 C ATOM 303 O LEU A 22 2.207 -2.261 -5.031 1.00 0.00 O ATOM 304 CB LEU A 22 -0.389 -0.339 -4.394 1.00 0.00 C ATOM 305 CG LEU A 22 -0.743 1.144 -4.246 1.00 0.00 C ATOM 306 CD1 LEU A 22 -2.050 1.276 -3.460 1.00 0.00 C ATOM 307 CD2 LEU A 22 0.386 1.876 -3.502 1.00 0.00 C ATOM 0 H LEU A 22 -1.006 -0.162 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 22 1.483 0.159 -5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.285 -0.916 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.009 -0.724 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.865 1.589 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.305 2.330 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.849 0.762 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.928 0.830 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.130 2.930 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.515 1.436 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.314 1.781 -4.066 1.00 0.00 H new ATOM 319 N VAL A 23 0.364 -2.853 -6.085 1.00 0.00 N ATOM 320 CA VAL A 23 0.780 -4.285 -6.136 1.00 0.00 C ATOM 321 C VAL A 23 1.997 -4.433 -7.059 1.00 0.00 C ATOM 322 O VAL A 23 2.810 -5.322 -6.891 1.00 0.00 O ATOM 323 CB VAL A 23 -0.390 -5.137 -6.656 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.748 -4.729 -8.087 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.003 -6.616 -6.631 1.00 0.00 C ATOM 0 H VAL A 23 -0.541 -2.651 -6.511 1.00 0.00 H new ATOM 0 HA VAL A 23 1.052 -4.626 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.256 -4.976 -6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.578 -5.340 -8.443 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.038 -3.678 -8.104 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.116 -4.878 -8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.827 -7.219 -7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.875 -6.772 -7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.241 -6.912 -5.609 1.00 0.00 H new ATOM 335 N GLN A 24 2.119 -3.570 -8.034 1.00 0.00 N ATOM 336 CA GLN A 24 3.271 -3.650 -8.980 1.00 0.00 C ATOM 337 C GLN A 24 4.558 -3.223 -8.269 1.00 0.00 C ATOM 338 O GLN A 24 5.621 -3.760 -8.520 1.00 0.00 O ATOM 339 CB GLN A 24 3.016 -2.717 -10.167 1.00 0.00 C ATOM 340 CG GLN A 24 2.135 -3.426 -11.200 1.00 0.00 C ATOM 341 CD GLN A 24 3.009 -3.987 -12.325 1.00 0.00 C ATOM 342 OE1 GLN A 24 4.035 -3.424 -12.650 1.00 0.00 O ATOM 343 NE2 GLN A 24 2.643 -5.080 -12.936 1.00 0.00 N ATOM 0 H GLN A 24 1.465 -2.808 -8.216 1.00 0.00 H new ATOM 0 HA GLN A 24 3.377 -4.676 -9.332 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.530 -1.803 -9.826 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.962 -2.424 -10.622 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.576 -4.232 -10.724 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.403 -2.729 -11.608 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.781 -5.553 -12.663 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.218 -5.462 -13.687 1.00 0.00 H new ATOM 352 N THR A 25 4.472 -2.255 -7.392 1.00 0.00 N ATOM 353 CA THR A 25 5.690 -1.782 -6.668 1.00 0.00 C ATOM 354 C THR A 25 6.137 -2.836 -5.653 1.00 0.00 C ATOM 355 O THR A 25 7.299 -3.192 -5.587 1.00 0.00 O ATOM 356 CB THR A 25 5.376 -0.474 -5.936 1.00 0.00 C ATOM 357 OG1 THR A 25 4.812 0.456 -6.850 1.00 0.00 O ATOM 358 CG2 THR A 25 6.663 0.103 -5.346 1.00 0.00 C ATOM 0 H THR A 25 3.609 -1.771 -7.146 1.00 0.00 H new ATOM 0 HA THR A 25 6.490 -1.616 -7.389 1.00 0.00 H new ATOM 0 HB THR A 25 4.666 -0.668 -5.132 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.885 0.203 -7.044 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.439 1.034 -4.825 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.094 -0.611 -4.644 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.375 0.298 -6.148 1.00 0.00 H new ATOM 366 N ALA A 26 5.224 -3.333 -4.859 1.00 0.00 N ATOM 367 CA ALA A 26 5.585 -4.360 -3.837 1.00 0.00 C ATOM 368 C ALA A 26 6.065 -5.638 -4.530 1.00 0.00 C ATOM 369 O ALA A 26 6.885 -6.366 -4.004 1.00 0.00 O ATOM 370 CB ALA A 26 4.359 -4.676 -2.980 1.00 0.00 C ATOM 0 H ALA A 26 4.239 -3.070 -4.875 1.00 0.00 H new ATOM 0 HA ALA A 26 6.385 -3.973 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.621 -5.426 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.021 -3.768 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.560 -5.060 -3.615 1.00 0.00 H new ATOM 376 N SER A 27 5.560 -5.913 -5.705 1.00 0.00 N ATOM 377 CA SER A 27 5.981 -7.145 -6.437 1.00 0.00 C ATOM 378 C SER A 27 7.452 -7.021 -6.846 1.00 0.00 C ATOM 379 O SER A 27 8.149 -8.008 -6.987 1.00 0.00 O ATOM 380 CB SER A 27 5.115 -7.320 -7.685 1.00 0.00 C ATOM 381 OG SER A 27 5.334 -6.228 -8.569 1.00 0.00 O ATOM 0 H SER A 27 4.873 -5.336 -6.190 1.00 0.00 H new ATOM 0 HA SER A 27 5.858 -8.012 -5.787 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.359 -8.259 -8.182 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.062 -7.371 -7.406 1.00 0.00 H new ATOM 0 HG SER A 27 5.631 -5.447 -8.057 1.00 0.00 H new ATOM 387 N LYS A 28 7.927 -5.815 -7.036 1.00 0.00 N ATOM 388 CA LYS A 28 9.351 -5.618 -7.434 1.00 0.00 C ATOM 389 C LYS A 28 10.278 -6.074 -6.303 1.00 0.00 C ATOM 390 O LYS A 28 11.427 -6.403 -6.531 1.00 0.00 O ATOM 391 CB LYS A 28 9.597 -4.133 -7.716 1.00 0.00 C ATOM 392 CG LYS A 28 8.934 -3.742 -9.039 1.00 0.00 C ATOM 393 CD LYS A 28 9.976 -3.760 -10.160 1.00 0.00 C ATOM 394 CE LYS A 28 10.578 -2.363 -10.319 1.00 0.00 C ATOM 395 NZ LYS A 28 11.603 -2.141 -9.260 1.00 0.00 N ATOM 0 H LYS A 28 7.386 -4.957 -6.932 1.00 0.00 H new ATOM 0 HA LYS A 28 9.557 -6.206 -8.328 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.195 -3.527 -6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.668 -3.934 -7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.124 -4.434 -9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.491 -2.749 -8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.760 -4.482 -9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.514 -4.077 -11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.030 -2.260 -11.305 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.795 -1.608 -10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.207 -1.337 -9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.130 -1.936 -8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.188 -2.995 -9.158 1.00 0.00 H new ATOM 409 N TYR A 29 9.794 -6.084 -5.084 1.00 0.00 N ATOM 410 CA TYR A 29 10.653 -6.506 -3.937 1.00 0.00 C ATOM 411 C TYR A 29 10.145 -7.831 -3.370 1.00 0.00 C ATOM 412 O TYR A 29 8.965 -8.005 -3.136 1.00 0.00 O ATOM 413 CB TYR A 29 10.613 -5.431 -2.848 1.00 0.00 C ATOM 414 CG TYR A 29 10.964 -4.096 -3.460 1.00 0.00 C ATOM 415 CD1 TYR A 29 9.969 -3.328 -4.075 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.286 -3.638 -3.428 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.295 -2.098 -4.657 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.613 -2.407 -4.008 1.00 0.00 C ATOM 419 CZ TYR A 29 11.616 -1.636 -4.624 1.00 0.00 C ATOM 420 OH TYR A 29 11.938 -0.423 -5.201 1.00 0.00 O ATOM 0 H TYR A 29 8.841 -5.818 -4.836 1.00 0.00 H new ATOM 0 HA TYR A 29 11.679 -6.635 -4.283 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.622 -5.389 -2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.315 -5.676 -2.051 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.950 -3.684 -4.100 1.00 0.00 H new ATOM 0 HD2 TYR A 29 13.053 -4.234 -2.956 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.527 -1.505 -5.132 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.632 -2.051 -3.981 1.00 0.00 H new ATOM 0 HH TYR A 29 12.896 -0.252 -5.089 1.00 0.00 H new ATOM 430 N ASP A 30 11.036 -8.763 -3.147 1.00 0.00 N ATOM 431 CA ASP A 30 10.625 -10.085 -2.594 1.00 0.00 C ATOM 432 C ASP A 30 10.242 -9.952 -1.113 1.00 0.00 C ATOM 433 O ASP A 30 9.731 -10.883 -0.520 1.00 0.00 O ATOM 434 CB ASP A 30 11.782 -11.074 -2.732 1.00 0.00 C ATOM 435 CG ASP A 30 12.117 -11.264 -4.211 1.00 0.00 C ATOM 436 OD1 ASP A 30 12.273 -10.267 -4.896 1.00 0.00 O ATOM 437 OD2 ASP A 30 12.210 -12.405 -4.636 1.00 0.00 O ATOM 0 H ASP A 30 12.035 -8.663 -3.326 1.00 0.00 H new ATOM 0 HA ASP A 30 9.760 -10.446 -3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.656 -10.705 -2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.512 -12.030 -2.284 1.00 0.00 H new ATOM 442 N ALA A 31 10.484 -8.810 -0.505 1.00 0.00 N ATOM 443 CA ALA A 31 10.129 -8.635 0.939 1.00 0.00 C ATOM 444 C ALA A 31 8.625 -8.859 1.129 1.00 0.00 C ATOM 445 O ALA A 31 7.865 -8.850 0.179 1.00 0.00 O ATOM 446 CB ALA A 31 10.493 -7.218 1.385 1.00 0.00 C ATOM 0 H ALA A 31 10.911 -7.996 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 31 10.682 -9.359 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.235 -7.090 2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.563 -7.058 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.941 -6.495 0.785 1.00 0.00 H new ATOM 452 N ASP A 32 8.197 -9.067 2.348 1.00 0.00 N ATOM 453 CA ASP A 32 6.745 -9.298 2.605 1.00 0.00 C ATOM 454 C ASP A 32 6.059 -7.970 2.929 1.00 0.00 C ATOM 455 O ASP A 32 6.125 -7.483 4.042 1.00 0.00 O ATOM 456 CB ASP A 32 6.581 -10.256 3.786 1.00 0.00 C ATOM 457 CG ASP A 32 6.679 -11.700 3.292 1.00 0.00 C ATOM 458 OD1 ASP A 32 7.735 -12.071 2.809 1.00 0.00 O ATOM 459 OD2 ASP A 32 5.694 -12.413 3.406 1.00 0.00 O ATOM 0 H ASP A 32 8.792 -9.087 3.177 1.00 0.00 H new ATOM 0 HA ASP A 32 6.288 -9.733 1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.351 -10.063 4.533 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.619 -10.091 4.270 1.00 0.00 H new ATOM 464 N VAL A 33 5.396 -7.387 1.963 1.00 0.00 N ATOM 465 CA VAL A 33 4.692 -6.092 2.202 1.00 0.00 C ATOM 466 C VAL A 33 3.222 -6.374 2.521 1.00 0.00 C ATOM 467 O VAL A 33 2.503 -6.934 1.715 1.00 0.00 O ATOM 468 CB VAL A 33 4.780 -5.219 0.948 1.00 0.00 C ATOM 469 CG1 VAL A 33 4.223 -3.828 1.253 1.00 0.00 C ATOM 470 CG2 VAL A 33 6.243 -5.095 0.511 1.00 0.00 C ATOM 0 H VAL A 33 5.312 -7.754 1.015 1.00 0.00 H new ATOM 0 HA VAL A 33 5.160 -5.571 3.037 1.00 0.00 H new ATOM 0 HB VAL A 33 4.198 -5.677 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.286 -3.207 0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.182 -3.913 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.804 -3.371 2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.305 -4.473 -0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.825 -4.638 1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.642 -6.085 0.292 1.00 0.00 H new ATOM 480 N ASN A 34 2.773 -5.996 3.692 1.00 0.00 N ATOM 481 CA ASN A 34 1.350 -6.249 4.068 1.00 0.00 C ATOM 482 C ASN A 34 0.641 -4.920 4.336 1.00 0.00 C ATOM 483 O ASN A 34 1.206 -4.011 4.915 1.00 0.00 O ATOM 484 CB ASN A 34 1.297 -7.114 5.330 1.00 0.00 C ATOM 485 CG ASN A 34 2.019 -8.440 5.078 1.00 0.00 C ATOM 486 OD1 ASN A 34 2.931 -8.508 4.278 1.00 0.00 O ATOM 487 ND2 ASN A 34 1.647 -9.505 5.732 1.00 0.00 N ATOM 0 H ASN A 34 3.331 -5.523 4.403 1.00 0.00 H new ATOM 0 HA ASN A 34 0.852 -6.767 3.249 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.763 -6.588 6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.261 -7.301 5.611 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.121 -10.394 5.572 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.882 -9.449 6.404 1.00 0.00 H new ATOM 494 N LEU A 35 -0.595 -4.808 3.923 1.00 0.00 N ATOM 495 CA LEU A 35 -1.358 -3.548 4.153 1.00 0.00 C ATOM 496 C LEU A 35 -2.263 -3.725 5.372 1.00 0.00 C ATOM 497 O LEU A 35 -3.069 -4.635 5.428 1.00 0.00 O ATOM 498 CB LEU A 35 -2.216 -3.238 2.923 1.00 0.00 C ATOM 499 CG LEU A 35 -2.606 -1.755 2.927 1.00 0.00 C ATOM 500 CD1 LEU A 35 -1.685 -0.980 1.983 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.056 -1.607 2.457 1.00 0.00 C ATOM 0 H LEU A 35 -1.110 -5.540 3.434 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.664 -2.726 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.665 -3.477 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.111 -3.860 2.926 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.507 -1.358 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.963 0.074 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.652 -1.084 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.782 -1.377 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.334 -0.553 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.154 -2.005 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.714 -2.157 3.129 1.00 0.00 H new ATOM 513 N GLU A 36 -2.134 -2.866 6.351 1.00 0.00 N ATOM 514 CA GLU A 36 -2.983 -2.985 7.573 1.00 0.00 C ATOM 515 C GLU A 36 -4.075 -1.915 7.548 1.00 0.00 C ATOM 516 O GLU A 36 -3.798 -0.731 7.596 1.00 0.00 O ATOM 517 CB GLU A 36 -2.116 -2.799 8.819 1.00 0.00 C ATOM 518 CG GLU A 36 -2.763 -3.516 10.006 1.00 0.00 C ATOM 519 CD GLU A 36 -2.332 -2.838 11.309 1.00 0.00 C ATOM 520 OE1 GLU A 36 -1.139 -2.794 11.563 1.00 0.00 O ATOM 521 OE2 GLU A 36 -3.200 -2.374 12.029 1.00 0.00 O ATOM 0 H GLU A 36 -1.476 -2.087 6.356 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.445 -3.972 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.117 -3.197 8.642 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.002 -1.738 9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.849 -3.490 9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.469 -4.565 10.015 1.00 0.00 H new ATOM 528 N TYR A 37 -5.313 -2.328 7.479 1.00 0.00 N ATOM 529 CA TYR A 37 -6.437 -1.348 7.455 1.00 0.00 C ATOM 530 C TYR A 37 -7.622 -1.903 8.250 1.00 0.00 C ATOM 531 O TYR A 37 -7.920 -3.081 8.196 1.00 0.00 O ATOM 532 CB TYR A 37 -6.869 -1.095 6.010 1.00 0.00 C ATOM 533 CG TYR A 37 -7.872 0.030 5.984 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.447 1.345 6.204 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.225 -0.240 5.753 1.00 0.00 C ATOM 536 CE1 TYR A 37 -8.374 2.390 6.191 1.00 0.00 C ATOM 537 CE2 TYR A 37 -10.154 0.807 5.737 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.729 2.123 5.957 1.00 0.00 C ATOM 539 OH TYR A 37 -10.645 3.156 5.945 1.00 0.00 O ATOM 0 H TYR A 37 -5.595 -3.307 7.438 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.105 -0.412 7.904 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.004 -0.841 5.398 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.306 -1.998 5.585 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.402 1.552 6.384 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.553 -1.256 5.587 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.046 3.405 6.362 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.198 0.600 5.555 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.540 2.798 5.767 1.00 0.00 H new ATOM 549 N ASN A 38 -8.302 -1.055 8.981 1.00 0.00 N ATOM 550 CA ASN A 38 -9.478 -1.511 9.785 1.00 0.00 C ATOM 551 C ASN A 38 -9.037 -2.570 10.800 1.00 0.00 C ATOM 552 O ASN A 38 -9.778 -3.480 11.119 1.00 0.00 O ATOM 553 CB ASN A 38 -10.538 -2.108 8.851 1.00 0.00 C ATOM 554 CG ASN A 38 -11.933 -1.732 9.352 1.00 0.00 C ATOM 555 OD1 ASN A 38 -12.317 -2.093 10.446 1.00 0.00 O ATOM 556 ND2 ASN A 38 -12.715 -1.016 8.591 1.00 0.00 N ATOM 0 H ASN A 38 -8.091 -0.060 9.056 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.899 -0.658 10.317 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.393 -1.738 7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.434 -3.192 8.813 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.648 -0.760 8.915 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.394 -0.712 7.672 1.00 0.00 H new ATOM 563 N GLY A 39 -7.836 -2.455 11.309 1.00 0.00 N ATOM 564 CA GLY A 39 -7.339 -3.450 12.307 1.00 0.00 C ATOM 565 C GLY A 39 -7.290 -4.837 11.672 1.00 0.00 C ATOM 566 O GLY A 39 -7.490 -5.839 12.331 1.00 0.00 O ATOM 0 H GLY A 39 -7.177 -1.713 11.075 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.347 -3.164 12.656 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.993 -3.462 13.179 1.00 0.00 H new ATOM 570 N LYS A 40 -7.011 -4.896 10.398 1.00 0.00 N ATOM 571 CA LYS A 40 -6.930 -6.212 9.708 1.00 0.00 C ATOM 572 C LYS A 40 -5.631 -6.273 8.911 1.00 0.00 C ATOM 573 O LYS A 40 -5.181 -5.287 8.364 1.00 0.00 O ATOM 574 CB LYS A 40 -8.116 -6.379 8.760 1.00 0.00 C ATOM 575 CG LYS A 40 -9.383 -6.656 9.570 1.00 0.00 C ATOM 576 CD LYS A 40 -10.321 -7.551 8.759 1.00 0.00 C ATOM 577 CE LYS A 40 -11.224 -8.338 9.709 1.00 0.00 C ATOM 578 NZ LYS A 40 -12.344 -8.948 8.937 1.00 0.00 N ATOM 0 H LYS A 40 -6.835 -4.085 9.804 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.953 -7.012 10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.245 -5.478 8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.928 -7.199 8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.126 -7.140 10.513 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.881 -5.719 9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.926 -6.945 8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.742 -8.236 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.650 -9.115 10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.618 -7.679 10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.959 -9.484 9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.897 -8.198 8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.959 -9.589 8.214 1.00 0.00 H new ATOM 592 N THR A 41 -5.025 -7.425 8.853 1.00 0.00 N ATOM 593 CA THR A 41 -3.746 -7.565 8.098 1.00 0.00 C ATOM 594 C THR A 41 -3.985 -8.372 6.820 1.00 0.00 C ATOM 595 O THR A 41 -4.302 -9.546 6.867 1.00 0.00 O ATOM 596 CB THR A 41 -2.715 -8.282 8.974 1.00 0.00 C ATOM 597 OG1 THR A 41 -2.716 -7.706 10.272 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.325 -8.137 8.350 1.00 0.00 C ATOM 0 H THR A 41 -5.360 -8.280 9.297 1.00 0.00 H new ATOM 0 HA THR A 41 -3.373 -6.576 7.831 1.00 0.00 H new ATOM 0 HB THR A 41 -2.971 -9.339 9.046 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.058 -8.165 10.834 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.591 -8.647 8.974 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.325 -8.580 7.354 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.067 -7.080 8.277 1.00 0.00 H new ATOM 606 N VAL A 42 -3.828 -7.748 5.679 1.00 0.00 N ATOM 607 CA VAL A 42 -4.038 -8.468 4.389 1.00 0.00 C ATOM 608 C VAL A 42 -2.752 -8.415 3.565 1.00 0.00 C ATOM 609 O VAL A 42 -1.882 -7.600 3.810 1.00 0.00 O ATOM 610 CB VAL A 42 -5.169 -7.798 3.604 1.00 0.00 C ATOM 611 CG1 VAL A 42 -6.492 -7.990 4.347 1.00 0.00 C ATOM 612 CG2 VAL A 42 -4.879 -6.302 3.463 1.00 0.00 C ATOM 0 H VAL A 42 -3.562 -6.767 5.587 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.303 -9.506 4.593 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.238 -8.250 2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.296 -7.513 3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.702 -9.055 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.422 -7.539 5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.685 -5.826 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.808 -5.850 4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.937 -6.162 2.932 1.00 0.00 H new ATOM 622 N ASN A 43 -2.629 -9.275 2.587 1.00 0.00 N ATOM 623 CA ASN A 43 -1.402 -9.278 1.738 1.00 0.00 C ATOM 624 C ASN A 43 -1.466 -8.104 0.761 1.00 0.00 C ATOM 625 O ASN A 43 -2.531 -7.694 0.341 1.00 0.00 O ATOM 626 CB ASN A 43 -1.326 -10.591 0.954 1.00 0.00 C ATOM 627 CG ASN A 43 0.138 -10.941 0.682 1.00 0.00 C ATOM 628 OD1 ASN A 43 0.733 -10.440 -0.367 1.00 0.00 O flip ATOM 629 ND2 ASN A 43 0.749 -11.677 1.431 1.00 0.00 N flip ATOM 0 H ASN A 43 -3.327 -9.976 2.340 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.519 -9.183 2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.803 -11.392 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.869 -10.497 0.014 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.286 -12.069 2.251 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.725 -11.903 1.240 1.00 0.00 H new ATOM 636 N LEU A 44 -0.332 -7.558 0.397 1.00 0.00 N ATOM 637 CA LEU A 44 -0.322 -6.407 -0.555 1.00 0.00 C ATOM 638 C LEU A 44 -0.113 -6.926 -1.982 1.00 0.00 C ATOM 639 O LEU A 44 0.661 -6.378 -2.746 1.00 0.00 O ATOM 640 CB LEU A 44 0.812 -5.448 -0.182 1.00 0.00 C ATOM 641 CG LEU A 44 0.424 -4.020 -0.573 1.00 0.00 C ATOM 642 CD1 LEU A 44 1.104 -3.029 0.371 1.00 0.00 C ATOM 643 CD2 LEU A 44 0.873 -3.744 -2.010 1.00 0.00 C ATOM 0 H LEU A 44 0.587 -7.861 0.719 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.274 -5.879 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.010 -5.502 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.731 -5.739 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.658 -3.906 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.827 -2.012 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.785 -3.224 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.186 -3.143 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.597 -2.727 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.955 -3.859 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.388 -4.449 -2.685 1.00 0.00 H new ATOM 655 N LYS A 45 -0.804 -7.976 -2.344 1.00 0.00 N ATOM 656 CA LYS A 45 -0.660 -8.536 -3.719 1.00 0.00 C ATOM 657 C LYS A 45 -2.035 -8.947 -4.263 1.00 0.00 C ATOM 658 O LYS A 45 -2.129 -9.737 -5.184 1.00 0.00 O ATOM 659 CB LYS A 45 0.258 -9.763 -3.673 1.00 0.00 C ATOM 660 CG LYS A 45 1.698 -9.315 -3.416 1.00 0.00 C ATOM 661 CD LYS A 45 2.543 -10.520 -2.993 1.00 0.00 C ATOM 662 CE LYS A 45 3.688 -10.051 -2.093 1.00 0.00 C ATOM 663 NZ LYS A 45 4.867 -9.695 -2.932 1.00 0.00 N ATOM 0 H LYS A 45 -1.464 -8.471 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.229 -7.778 -4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.068 -10.444 -2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.199 -10.310 -4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.115 -8.863 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.719 -8.552 -2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.924 -11.244 -2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.942 -11.025 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.373 -9.189 -1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.955 -10.837 -1.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.645 -9.376 -2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.172 -10.529 -3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.608 -8.931 -3.589 1.00 0.00 H new ATOM 677 N SER A 46 -3.102 -8.423 -3.701 1.00 0.00 N ATOM 678 CA SER A 46 -4.464 -8.789 -4.189 1.00 0.00 C ATOM 679 C SER A 46 -5.297 -7.523 -4.395 1.00 0.00 C ATOM 680 O SER A 46 -5.385 -6.676 -3.525 1.00 0.00 O ATOM 681 CB SER A 46 -5.149 -9.680 -3.156 1.00 0.00 C ATOM 682 OG SER A 46 -6.139 -10.471 -3.800 1.00 0.00 O ATOM 0 H SER A 46 -3.084 -7.759 -2.927 1.00 0.00 H new ATOM 0 HA SER A 46 -4.376 -9.322 -5.136 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.415 -10.322 -2.669 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.605 -9.069 -2.377 1.00 0.00 H new ATOM 0 HG SER A 46 -6.579 -11.045 -3.139 1.00 0.00 H new ATOM 688 N ILE A 47 -5.912 -7.400 -5.540 1.00 0.00 N ATOM 689 CA ILE A 47 -6.756 -6.201 -5.823 1.00 0.00 C ATOM 690 C ILE A 47 -8.124 -6.409 -5.208 1.00 0.00 C ATOM 691 O ILE A 47 -8.709 -5.514 -4.626 1.00 0.00 O ATOM 692 CB ILE A 47 -6.922 -6.030 -7.342 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.576 -6.198 -8.078 1.00 0.00 C ATOM 694 CG2 ILE A 47 -7.495 -4.645 -7.629 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.464 -5.426 -7.365 1.00 0.00 C ATOM 0 H ILE A 47 -5.866 -8.082 -6.297 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.279 -5.315 -5.404 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.601 -6.802 -7.705 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.315 -7.255 -8.130 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.671 -5.842 -9.104 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.615 -4.517 -8.705 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.464 -4.544 -7.141 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.815 -3.884 -7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.525 -5.560 -7.903 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.718 -4.366 -7.336 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.356 -5.801 -6.347 1.00 0.00 H new ATOM 707 N MET A 48 -8.633 -7.595 -5.343 1.00 0.00 N ATOM 708 CA MET A 48 -9.975 -7.907 -4.778 1.00 0.00 C ATOM 709 C MET A 48 -9.864 -8.072 -3.259 1.00 0.00 C ATOM 710 O MET A 48 -10.817 -7.854 -2.534 1.00 0.00 O ATOM 711 CB MET A 48 -10.510 -9.201 -5.394 1.00 0.00 C ATOM 712 CG MET A 48 -11.965 -9.405 -4.961 1.00 0.00 C ATOM 713 SD MET A 48 -12.897 -10.195 -6.298 1.00 0.00 S ATOM 714 CE MET A 48 -14.154 -8.906 -6.490 1.00 0.00 C ATOM 0 H MET A 48 -8.176 -8.370 -5.824 1.00 0.00 H new ATOM 0 HA MET A 48 -10.660 -7.091 -5.008 1.00 0.00 H new ATOM 0 HB2 MET A 48 -10.445 -9.153 -6.481 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.902 -10.047 -5.075 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.004 -10.023 -4.064 1.00 0.00 H new ATOM 0 HG3 MET A 48 -12.417 -8.446 -4.708 1.00 0.00 H new ATOM 0 HE1 MET A 48 -14.850 -9.191 -7.279 1.00 0.00 H new ATOM 0 HE2 MET A 48 -14.698 -8.786 -5.553 1.00 0.00 H new ATOM 0 HE3 MET A 48 -13.672 -7.964 -6.753 1.00 0.00 H new ATOM 724 N GLY A 49 -8.709 -8.457 -2.776 1.00 0.00 N ATOM 725 CA GLY A 49 -8.527 -8.641 -1.306 1.00 0.00 C ATOM 726 C GLY A 49 -8.722 -7.301 -0.590 1.00 0.00 C ATOM 727 O GLY A 49 -9.083 -7.262 0.571 1.00 0.00 O ATOM 0 H GLY A 49 -7.882 -8.652 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.242 -9.373 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.531 -9.033 -1.099 1.00 0.00 H new ATOM 731 N VAL A 50 -8.486 -6.206 -1.270 1.00 0.00 N ATOM 732 CA VAL A 50 -8.658 -4.870 -0.625 1.00 0.00 C ATOM 733 C VAL A 50 -10.135 -4.462 -0.664 1.00 0.00 C ATOM 734 O VAL A 50 -10.579 -3.653 0.129 1.00 0.00 O ATOM 735 CB VAL A 50 -7.822 -3.826 -1.368 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.869 -2.502 -0.601 1.00 0.00 C ATOM 737 CG2 VAL A 50 -6.372 -4.306 -1.465 1.00 0.00 C ATOM 0 H VAL A 50 -8.182 -6.181 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.326 -4.929 0.412 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.224 -3.684 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.274 -1.755 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.901 -2.159 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.465 -2.647 0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.777 -3.562 -1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.968 -4.448 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.337 -5.251 -2.007 1.00 0.00 H new ATOM 747 N VAL A 51 -10.901 -5.011 -1.579 1.00 0.00 N ATOM 748 CA VAL A 51 -12.347 -4.651 -1.666 1.00 0.00 C ATOM 749 C VAL A 51 -13.053 -5.033 -0.359 1.00 0.00 C ATOM 750 O VAL A 51 -13.946 -4.341 0.095 1.00 0.00 O ATOM 751 CB VAL A 51 -12.992 -5.398 -2.839 1.00 0.00 C ATOM 752 CG1 VAL A 51 -14.451 -4.962 -2.992 1.00 0.00 C ATOM 753 CG2 VAL A 51 -12.232 -5.076 -4.129 1.00 0.00 C ATOM 0 H VAL A 51 -10.584 -5.693 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.443 -3.577 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.952 -6.470 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.905 -5.496 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -14.997 -5.190 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.492 -3.889 -3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.690 -5.607 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.271 -4.003 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.193 -5.389 -4.027 1.00 0.00 H new ATOM 763 N SER A 52 -12.655 -6.124 0.247 1.00 0.00 N ATOM 764 CA SER A 52 -13.297 -6.549 1.526 1.00 0.00 C ATOM 765 C SER A 52 -13.005 -5.508 2.609 1.00 0.00 C ATOM 766 O SER A 52 -13.811 -5.272 3.489 1.00 0.00 O ATOM 767 CB SER A 52 -12.733 -7.907 1.955 1.00 0.00 C ATOM 768 OG SER A 52 -11.416 -7.735 2.465 1.00 0.00 O ATOM 0 H SER A 52 -11.913 -6.738 -0.090 1.00 0.00 H new ATOM 0 HA SER A 52 -14.374 -6.634 1.383 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.373 -8.355 2.715 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.719 -8.591 1.107 1.00 0.00 H new ATOM 0 HG SER A 52 -10.793 -7.596 1.722 1.00 0.00 H new ATOM 774 N LEU A 53 -11.856 -4.884 2.545 1.00 0.00 N ATOM 775 CA LEU A 53 -11.499 -3.853 3.563 1.00 0.00 C ATOM 776 C LEU A 53 -12.435 -2.652 3.420 1.00 0.00 C ATOM 777 O LEU A 53 -12.825 -2.039 4.397 1.00 0.00 O ATOM 778 CB LEU A 53 -10.054 -3.396 3.342 1.00 0.00 C ATOM 779 CG LEU A 53 -9.097 -4.536 3.692 1.00 0.00 C ATOM 780 CD1 LEU A 53 -7.689 -4.190 3.204 1.00 0.00 C ATOM 781 CD2 LEU A 53 -9.075 -4.736 5.209 1.00 0.00 C ATOM 0 H LEU A 53 -11.148 -5.046 1.829 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.599 -4.279 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.912 -3.094 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.839 -2.524 3.960 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.434 -5.453 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.007 -5.003 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.703 -4.047 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.352 -3.273 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.393 -5.549 5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.739 -3.819 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.078 -4.984 5.558 1.00 0.00 H new ATOM 793 N GLY A 54 -12.796 -2.315 2.208 1.00 0.00 N ATOM 794 CA GLY A 54 -13.706 -1.153 1.987 1.00 0.00 C ATOM 795 C GLY A 54 -12.986 0.140 2.371 1.00 0.00 C ATOM 796 O GLY A 54 -13.486 0.930 3.149 1.00 0.00 O ATOM 0 H GLY A 54 -12.498 -2.797 1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.015 -1.113 0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.611 -1.268 2.583 1.00 0.00 H new ATOM 800 N ILE A 55 -11.815 0.359 1.829 1.00 0.00 N ATOM 801 CA ILE A 55 -11.055 1.597 2.153 1.00 0.00 C ATOM 802 C ILE A 55 -11.696 2.783 1.439 1.00 0.00 C ATOM 803 O ILE A 55 -12.131 2.680 0.308 1.00 0.00 O ATOM 804 CB ILE A 55 -9.603 1.453 1.693 1.00 0.00 C ATOM 805 CG1 ILE A 55 -9.012 0.154 2.247 1.00 0.00 C ATOM 806 CG2 ILE A 55 -8.787 2.643 2.206 1.00 0.00 C ATOM 807 CD1 ILE A 55 -7.621 -0.067 1.655 1.00 0.00 C ATOM 0 H ILE A 55 -11.353 -0.271 1.173 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.075 1.759 3.231 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.570 1.428 0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.952 0.204 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.661 -0.687 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.752 2.542 1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.204 3.568 1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.823 2.666 3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.200 -0.992 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.694 -0.136 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.975 0.769 1.923 1.00 0.00 H new ATOM 819 N ALA A 56 -11.753 3.907 2.096 1.00 0.00 N ATOM 820 CA ALA A 56 -12.361 5.118 1.474 1.00 0.00 C ATOM 821 C ALA A 56 -11.428 6.312 1.672 1.00 0.00 C ATOM 822 O ALA A 56 -10.358 6.187 2.237 1.00 0.00 O ATOM 823 CB ALA A 56 -13.711 5.409 2.134 1.00 0.00 C ATOM 0 H ALA A 56 -11.402 4.041 3.044 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.510 4.944 0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.155 6.294 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.376 4.557 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.565 5.583 3.200 1.00 0.00 H new ATOM 829 N LYS A 57 -11.827 7.471 1.211 1.00 0.00 N ATOM 830 CA LYS A 57 -10.969 8.684 1.368 1.00 0.00 C ATOM 831 C LYS A 57 -10.746 8.964 2.856 1.00 0.00 C ATOM 832 O LYS A 57 -11.584 8.663 3.686 1.00 0.00 O ATOM 833 CB LYS A 57 -11.664 9.887 0.723 1.00 0.00 C ATOM 834 CG LYS A 57 -13.089 10.025 1.282 1.00 0.00 C ATOM 835 CD LYS A 57 -13.330 11.466 1.741 1.00 0.00 C ATOM 836 CE LYS A 57 -13.015 11.586 3.234 1.00 0.00 C ATOM 837 NZ LYS A 57 -12.420 12.924 3.513 1.00 0.00 N ATOM 0 H LYS A 57 -12.713 7.629 0.731 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.008 8.514 0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.096 10.796 0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.698 9.762 -0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.817 9.750 0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.229 9.339 2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.703 12.150 1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.365 11.750 1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.924 11.452 3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.323 10.799 3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.206 13.004 4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.543 13.035 2.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.095 13.667 3.241 1.00 0.00 H new ATOM 851 N GLY A 58 -9.618 9.536 3.197 1.00 0.00 N ATOM 852 CA GLY A 58 -9.330 9.837 4.631 1.00 0.00 C ATOM 853 C GLY A 58 -9.218 8.527 5.410 1.00 0.00 C ATOM 854 O GLY A 58 -9.859 8.342 6.428 1.00 0.00 O ATOM 0 H GLY A 58 -8.884 9.807 2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.403 10.404 4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.123 10.456 5.051 1.00 0.00 H new ATOM 858 N ALA A 59 -8.412 7.613 4.933 1.00 0.00 N ATOM 859 CA ALA A 59 -8.253 6.305 5.633 1.00 0.00 C ATOM 860 C ALA A 59 -6.844 6.206 6.226 1.00 0.00 C ATOM 861 O ALA A 59 -5.924 6.865 5.776 1.00 0.00 O ATOM 862 CB ALA A 59 -8.477 5.166 4.631 1.00 0.00 C ATOM 0 H ALA A 59 -7.855 7.718 4.085 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.984 6.229 6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.362 4.208 5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.482 5.239 4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.746 5.241 3.826 1.00 0.00 H new ATOM 868 N GLU A 60 -6.672 5.386 7.231 1.00 0.00 N ATOM 869 CA GLU A 60 -5.327 5.233 7.861 1.00 0.00 C ATOM 870 C GLU A 60 -4.802 3.820 7.598 1.00 0.00 C ATOM 871 O GLU A 60 -5.365 2.844 8.060 1.00 0.00 O ATOM 872 CB GLU A 60 -5.438 5.463 9.369 1.00 0.00 C ATOM 873 CG GLU A 60 -6.049 6.841 9.631 1.00 0.00 C ATOM 874 CD GLU A 60 -6.553 6.914 11.074 1.00 0.00 C ATOM 875 OE1 GLU A 60 -5.737 6.787 11.973 1.00 0.00 O ATOM 876 OE2 GLU A 60 -7.745 7.095 11.256 1.00 0.00 O ATOM 0 H GLU A 60 -7.409 4.814 7.644 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.640 5.964 7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.056 4.687 9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.453 5.396 9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.306 7.619 9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.871 7.023 8.939 1.00 0.00 H new ATOM 883 N ILE A 61 -3.729 3.703 6.856 1.00 0.00 N ATOM 884 CA ILE A 61 -3.163 2.356 6.554 1.00 0.00 C ATOM 885 C ILE A 61 -1.752 2.248 7.135 1.00 0.00 C ATOM 886 O ILE A 61 -1.108 3.243 7.414 1.00 0.00 O ATOM 887 CB ILE A 61 -3.108 2.153 5.039 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.355 3.319 4.394 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.530 2.097 4.478 1.00 0.00 C ATOM 890 CD1 ILE A 61 -2.123 3.022 2.912 1.00 0.00 C ATOM 0 H ILE A 61 -3.220 4.486 6.446 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.797 1.590 7.001 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.592 1.218 4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.926 4.240 4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.401 3.473 4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.490 1.952 3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.069 1.267 4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.046 3.031 4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.587 3.853 2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.534 2.111 2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.083 2.890 2.413 1.00 0.00 H new ATOM 902 N THR A 62 -1.270 1.045 7.318 1.00 0.00 N ATOM 903 CA THR A 62 0.099 0.856 7.880 1.00 0.00 C ATOM 904 C THR A 62 0.851 -0.184 7.048 1.00 0.00 C ATOM 905 O THR A 62 0.484 -1.342 7.007 1.00 0.00 O ATOM 906 CB THR A 62 -0.005 0.376 9.329 1.00 0.00 C ATOM 907 OG1 THR A 62 -0.854 1.253 10.057 1.00 0.00 O ATOM 908 CG2 THR A 62 1.385 0.365 9.966 1.00 0.00 C ATOM 0 H THR A 62 -1.769 0.182 7.101 1.00 0.00 H new ATOM 0 HA THR A 62 0.638 1.803 7.851 1.00 0.00 H new ATOM 0 HB THR A 62 -0.419 -0.632 9.349 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.923 0.946 10.985 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.310 0.023 10.998 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.036 -0.308 9.407 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.802 1.372 9.947 1.00 0.00 H new ATOM 916 N ILE A 63 1.902 0.225 6.383 1.00 0.00 N ATOM 917 CA ILE A 63 2.685 -0.729 5.545 1.00 0.00 C ATOM 918 C ILE A 63 3.826 -1.323 6.378 1.00 0.00 C ATOM 919 O ILE A 63 4.546 -0.614 7.056 1.00 0.00 O ATOM 920 CB ILE A 63 3.252 0.020 4.332 1.00 0.00 C ATOM 921 CG1 ILE A 63 2.091 0.572 3.498 1.00 0.00 C ATOM 922 CG2 ILE A 63 4.091 -0.929 3.467 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.602 1.652 2.536 1.00 0.00 C ATOM 0 H ILE A 63 2.252 1.183 6.386 1.00 0.00 H new ATOM 0 HA ILE A 63 2.041 -1.538 5.201 1.00 0.00 H new ATOM 0 HB ILE A 63 3.886 0.836 4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.621 -0.235 2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.328 0.990 4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.487 -0.385 2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.916 -1.326 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.466 -1.751 3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.770 2.038 1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.051 2.465 3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.349 1.221 1.869 1.00 0.00 H new ATOM 935 N SER A 64 3.994 -2.619 6.322 1.00 0.00 N ATOM 936 CA SER A 64 5.084 -3.274 7.100 1.00 0.00 C ATOM 937 C SER A 64 5.846 -4.235 6.184 1.00 0.00 C ATOM 938 O SER A 64 5.343 -5.278 5.809 1.00 0.00 O ATOM 939 CB SER A 64 4.480 -4.053 8.269 1.00 0.00 C ATOM 940 OG SER A 64 3.806 -5.201 7.771 1.00 0.00 O ATOM 0 H SER A 64 3.419 -3.254 5.768 1.00 0.00 H new ATOM 0 HA SER A 64 5.766 -2.517 7.486 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.263 -4.351 8.966 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.785 -3.421 8.822 1.00 0.00 H new ATOM 0 HG SER A 64 3.965 -5.281 6.807 1.00 0.00 H new ATOM 946 N ALA A 65 7.055 -3.888 5.819 1.00 0.00 N ATOM 947 CA ALA A 65 7.855 -4.774 4.925 1.00 0.00 C ATOM 948 C ALA A 65 8.912 -5.510 5.749 1.00 0.00 C ATOM 949 O ALA A 65 9.597 -4.919 6.563 1.00 0.00 O ATOM 950 CB ALA A 65 8.544 -3.927 3.853 1.00 0.00 C ATOM 0 H ALA A 65 7.522 -3.027 6.103 1.00 0.00 H new ATOM 0 HA ALA A 65 7.196 -5.500 4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.129 -4.573 3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.791 -3.402 3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.203 -3.202 4.330 1.00 0.00 H new ATOM 956 N SER A 66 9.048 -6.795 5.544 1.00 0.00 N ATOM 957 CA SER A 66 10.059 -7.578 6.312 1.00 0.00 C ATOM 958 C SER A 66 10.638 -8.679 5.422 1.00 0.00 C ATOM 959 O SER A 66 10.003 -9.687 5.174 1.00 0.00 O ATOM 960 CB SER A 66 9.394 -8.211 7.535 1.00 0.00 C ATOM 961 OG SER A 66 9.021 -7.188 8.448 1.00 0.00 O ATOM 0 H SER A 66 8.500 -7.336 4.875 1.00 0.00 H new ATOM 0 HA SER A 66 10.860 -6.914 6.636 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.516 -8.782 7.232 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.079 -8.911 8.014 1.00 0.00 H new ATOM 0 HG SER A 66 8.593 -7.590 9.233 1.00 0.00 H new ATOM 967 N GLY A 67 11.841 -8.491 4.939 1.00 0.00 N ATOM 968 CA GLY A 67 12.472 -9.521 4.063 1.00 0.00 C ATOM 969 C GLY A 67 13.947 -9.179 3.847 1.00 0.00 C ATOM 970 O GLY A 67 14.672 -8.901 4.784 1.00 0.00 O ATOM 0 H GLY A 67 12.413 -7.665 5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.380 -10.507 4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.954 -9.564 3.105 1.00 0.00 H new ATOM 974 N ALA A 68 14.395 -9.199 2.616 1.00 0.00 N ATOM 975 CA ALA A 68 15.824 -8.878 2.327 1.00 0.00 C ATOM 976 C ALA A 68 15.936 -7.432 1.839 1.00 0.00 C ATOM 977 O ALA A 68 16.712 -6.652 2.360 1.00 0.00 O ATOM 978 CB ALA A 68 16.348 -9.824 1.245 1.00 0.00 C ATOM 0 H ALA A 68 13.830 -9.425 1.798 1.00 0.00 H new ATOM 0 HA ALA A 68 16.415 -9.000 3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.391 -9.591 1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.270 -10.854 1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.757 -9.702 0.337 1.00 0.00 H new ATOM 984 N ASP A 69 15.168 -7.072 0.841 1.00 0.00 N ATOM 985 CA ASP A 69 15.222 -5.677 0.313 1.00 0.00 C ATOM 986 C ASP A 69 14.031 -4.883 0.853 1.00 0.00 C ATOM 987 O ASP A 69 13.484 -4.033 0.174 1.00 0.00 O ATOM 988 CB ASP A 69 15.166 -5.700 -1.219 1.00 0.00 C ATOM 989 CG ASP A 69 13.987 -6.559 -1.692 1.00 0.00 C ATOM 990 OD1 ASP A 69 13.016 -6.660 -0.959 1.00 0.00 O ATOM 991 OD2 ASP A 69 14.075 -7.100 -2.782 1.00 0.00 O ATOM 0 H ASP A 69 14.505 -7.687 0.369 1.00 0.00 H new ATOM 0 HA ASP A 69 16.152 -5.207 0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 69 15.063 -4.685 -1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 69 16.099 -6.098 -1.619 1.00 0.00 H new ATOM 996 N GLU A 70 13.624 -5.157 2.066 1.00 0.00 N ATOM 997 CA GLU A 70 12.465 -4.426 2.658 1.00 0.00 C ATOM 998 C GLU A 70 12.786 -2.930 2.747 1.00 0.00 C ATOM 999 O GLU A 70 11.900 -2.097 2.715 1.00 0.00 O ATOM 1000 CB GLU A 70 12.173 -4.980 4.057 1.00 0.00 C ATOM 1001 CG GLU A 70 13.428 -4.872 4.928 1.00 0.00 C ATOM 1002 CD GLU A 70 13.361 -3.595 5.769 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.309 -3.333 6.330 1.00 0.00 O ATOM 1004 OE2 GLU A 70 14.361 -2.900 5.836 1.00 0.00 O ATOM 0 H GLU A 70 14.047 -5.859 2.674 1.00 0.00 H new ATOM 0 HA GLU A 70 11.588 -4.564 2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.353 -4.426 4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.855 -6.020 3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.508 -5.744 5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.319 -4.860 4.300 1.00 0.00 H new ATOM 1011 N ASN A 71 14.045 -2.586 2.855 1.00 0.00 N ATOM 1012 CA ASN A 71 14.426 -1.146 2.941 1.00 0.00 C ATOM 1013 C ASN A 71 14.068 -0.446 1.629 1.00 0.00 C ATOM 1014 O ASN A 71 13.559 0.657 1.622 1.00 0.00 O ATOM 1015 CB ASN A 71 15.932 -1.031 3.181 1.00 0.00 C ATOM 1016 CG ASN A 71 16.213 -1.010 4.684 1.00 0.00 C ATOM 1017 OD1 ASN A 71 16.639 -1.997 5.249 1.00 0.00 O ATOM 1018 ND2 ASN A 71 15.990 0.084 5.361 1.00 0.00 N ATOM 0 H ASN A 71 14.825 -3.242 2.887 1.00 0.00 H new ATOM 0 HA ASN A 71 13.888 -0.677 3.765 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.449 -1.870 2.716 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.316 -0.123 2.717 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.174 0.109 6.364 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.632 0.913 4.887 1.00 0.00 H new ATOM 1025 N ASP A 72 14.337 -1.082 0.519 1.00 0.00 N ATOM 1026 CA ASP A 72 14.020 -0.462 -0.800 1.00 0.00 C ATOM 1027 C ASP A 72 12.510 -0.523 -1.069 1.00 0.00 C ATOM 1028 O ASP A 72 12.002 0.189 -1.912 1.00 0.00 O ATOM 1029 CB ASP A 72 14.766 -1.214 -1.904 1.00 0.00 C ATOM 1030 CG ASP A 72 16.265 -1.220 -1.597 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.789 -0.165 -1.279 1.00 0.00 O ATOM 1032 OD2 ASP A 72 16.864 -2.279 -1.686 1.00 0.00 O ATOM 0 H ASP A 72 14.764 -2.007 0.470 1.00 0.00 H new ATOM 0 HA ASP A 72 14.333 0.582 -0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.395 -2.236 -1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.584 -0.740 -2.868 1.00 0.00 H new ATOM 1037 N ALA A 73 11.791 -1.374 -0.374 1.00 0.00 N ATOM 1038 CA ALA A 73 10.319 -1.483 -0.610 1.00 0.00 C ATOM 1039 C ALA A 73 9.567 -0.362 0.119 1.00 0.00 C ATOM 1040 O ALA A 73 8.588 0.158 -0.383 1.00 0.00 O ATOM 1041 CB ALA A 73 9.824 -2.836 -0.097 1.00 0.00 C ATOM 0 H ALA A 73 12.161 -1.996 0.345 1.00 0.00 H new ATOM 0 HA ALA A 73 10.130 -1.393 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.751 -2.919 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.339 -3.637 -0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.029 -2.918 0.970 1.00 0.00 H new ATOM 1047 N LEU A 74 10.000 0.003 1.302 1.00 0.00 N ATOM 1048 CA LEU A 74 9.285 1.077 2.063 1.00 0.00 C ATOM 1049 C LEU A 74 9.592 2.458 1.468 1.00 0.00 C ATOM 1050 O LEU A 74 8.739 3.326 1.445 1.00 0.00 O ATOM 1051 CB LEU A 74 9.706 1.038 3.539 1.00 0.00 C ATOM 1052 CG LEU A 74 11.216 1.261 3.662 1.00 0.00 C ATOM 1053 CD1 LEU A 74 11.496 2.731 3.984 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.776 0.380 4.781 1.00 0.00 C ATOM 0 H LEU A 74 10.814 -0.394 1.772 1.00 0.00 H new ATOM 0 HA LEU A 74 8.212 0.899 1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.171 1.805 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.436 0.077 3.977 1.00 0.00 H new ATOM 0 HG LEU A 74 11.695 0.999 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.571 2.886 4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.102 3.360 3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.014 2.995 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.851 0.540 4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.294 0.639 5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.583 -0.668 4.551 1.00 0.00 H new ATOM 1066 N ASN A 75 10.796 2.676 0.991 1.00 0.00 N ATOM 1067 CA ASN A 75 11.134 4.014 0.406 1.00 0.00 C ATOM 1068 C ASN A 75 10.694 4.071 -1.057 1.00 0.00 C ATOM 1069 O ASN A 75 10.405 5.131 -1.582 1.00 0.00 O ATOM 1070 CB ASN A 75 12.642 4.283 0.502 1.00 0.00 C ATOM 1071 CG ASN A 75 13.443 3.071 0.021 1.00 0.00 C ATOM 1072 OD1 ASN A 75 13.034 2.375 -0.886 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.582 2.792 0.597 1.00 0.00 N ATOM 0 H ASN A 75 11.553 1.992 0.981 1.00 0.00 H new ATOM 0 HA ASN A 75 10.606 4.780 0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.899 5.156 -0.098 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.909 4.515 1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.128 1.989 0.285 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.925 3.377 1.359 1.00 0.00 H new ATOM 1080 N ALA A 76 10.631 2.944 -1.715 1.00 0.00 N ATOM 1081 CA ALA A 76 10.199 2.926 -3.144 1.00 0.00 C ATOM 1082 C ALA A 76 8.676 3.062 -3.217 1.00 0.00 C ATOM 1083 O ALA A 76 8.137 3.554 -4.191 1.00 0.00 O ATOM 1084 CB ALA A 76 10.626 1.609 -3.794 1.00 0.00 C ATOM 0 H ALA A 76 10.861 2.031 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 76 10.665 3.757 -3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.309 1.599 -4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.711 1.513 -3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.163 0.776 -3.266 1.00 0.00 H new ATOM 1090 N LEU A 77 7.980 2.634 -2.193 1.00 0.00 N ATOM 1091 CA LEU A 77 6.492 2.743 -2.193 1.00 0.00 C ATOM 1092 C LEU A 77 6.094 4.147 -1.738 1.00 0.00 C ATOM 1093 O LEU A 77 5.072 4.672 -2.136 1.00 0.00 O ATOM 1094 CB LEU A 77 5.904 1.709 -1.228 1.00 0.00 C ATOM 1095 CG LEU A 77 5.820 0.349 -1.923 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.728 -0.758 -0.869 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.574 0.309 -2.811 1.00 0.00 C ATOM 0 H LEU A 77 8.381 2.213 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 77 6.110 2.559 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.525 1.635 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.913 2.024 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 77 6.710 0.197 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.668 -1.727 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.613 -0.729 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.838 -0.606 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.512 -0.659 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.685 0.460 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.636 1.098 -3.561 1.00 0.00 H new ATOM 1109 N GLU A 78 6.899 4.755 -0.906 1.00 0.00 N ATOM 1110 CA GLU A 78 6.590 6.127 -0.413 1.00 0.00 C ATOM 1111 C GLU A 78 6.647 7.117 -1.582 1.00 0.00 C ATOM 1112 O GLU A 78 5.811 7.993 -1.704 1.00 0.00 O ATOM 1113 CB GLU A 78 7.629 6.512 0.648 1.00 0.00 C ATOM 1114 CG GLU A 78 7.332 7.913 1.194 1.00 0.00 C ATOM 1115 CD GLU A 78 8.438 8.328 2.166 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.595 8.242 1.788 1.00 0.00 O ATOM 1117 OE2 GLU A 78 8.110 8.725 3.272 1.00 0.00 O ATOM 0 H GLU A 78 7.765 4.355 -0.545 1.00 0.00 H new ATOM 0 HA GLU A 78 5.591 6.153 0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.616 5.786 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.629 6.487 0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.267 8.628 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.367 7.920 1.700 1.00 0.00 H new ATOM 1124 N GLU A 79 7.629 6.986 -2.437 1.00 0.00 N ATOM 1125 CA GLU A 79 7.752 7.921 -3.595 1.00 0.00 C ATOM 1126 C GLU A 79 6.731 7.555 -4.678 1.00 0.00 C ATOM 1127 O GLU A 79 6.285 8.403 -5.427 1.00 0.00 O ATOM 1128 CB GLU A 79 9.168 7.834 -4.176 1.00 0.00 C ATOM 1129 CG GLU A 79 9.488 6.382 -4.561 1.00 0.00 C ATOM 1130 CD GLU A 79 9.522 6.243 -6.086 1.00 0.00 C ATOM 1131 OE1 GLU A 79 10.405 6.825 -6.694 1.00 0.00 O ATOM 1132 OE2 GLU A 79 8.664 5.558 -6.618 1.00 0.00 O ATOM 0 H GLU A 79 8.353 6.269 -2.382 1.00 0.00 H new ATOM 0 HA GLU A 79 7.559 8.938 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.251 8.478 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.893 8.194 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.449 6.088 -4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.737 5.712 -4.143 1.00 0.00 H new ATOM 1139 N THR A 80 6.363 6.302 -4.768 1.00 0.00 N ATOM 1140 CA THR A 80 5.374 5.882 -5.806 1.00 0.00 C ATOM 1141 C THR A 80 3.983 6.400 -5.430 1.00 0.00 C ATOM 1142 O THR A 80 3.165 6.679 -6.286 1.00 0.00 O ATOM 1143 CB THR A 80 5.345 4.352 -5.896 1.00 0.00 C ATOM 1144 OG1 THR A 80 6.655 3.871 -6.160 1.00 0.00 O ATOM 1145 CG2 THR A 80 4.404 3.911 -7.022 1.00 0.00 C ATOM 0 H THR A 80 6.705 5.552 -4.167 1.00 0.00 H new ATOM 0 HA THR A 80 5.665 6.297 -6.771 1.00 0.00 H new ATOM 0 HB THR A 80 4.986 3.945 -4.951 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.215 3.995 -5.366 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.390 2.823 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.398 4.277 -6.819 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.755 4.319 -7.970 1.00 0.00 H new ATOM 1153 N MET A 81 3.712 6.529 -4.157 1.00 0.00 N ATOM 1154 CA MET A 81 2.376 7.027 -3.714 1.00 0.00 C ATOM 1155 C MET A 81 2.254 8.518 -4.033 1.00 0.00 C ATOM 1156 O MET A 81 1.279 8.959 -4.612 1.00 0.00 O ATOM 1157 CB MET A 81 2.228 6.816 -2.206 1.00 0.00 C ATOM 1158 CG MET A 81 1.904 5.348 -1.925 1.00 0.00 C ATOM 1159 SD MET A 81 1.487 5.148 -0.175 1.00 0.00 S ATOM 1160 CE MET A 81 2.604 3.767 0.169 1.00 0.00 C ATOM 0 H MET A 81 4.362 6.310 -3.402 1.00 0.00 H new ATOM 0 HA MET A 81 1.593 6.478 -4.238 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.149 7.100 -1.696 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.437 7.455 -1.815 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.071 5.022 -2.548 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.758 4.720 -2.181 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.021 3.877 1.170 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.053 2.829 0.106 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.413 3.762 -0.562 1.00 0.00 H new ATOM 1170 N LYS A 82 3.237 9.294 -3.655 1.00 0.00 N ATOM 1171 CA LYS A 82 3.191 10.762 -3.926 1.00 0.00 C ATOM 1172 C LYS A 82 3.472 11.043 -5.409 1.00 0.00 C ATOM 1173 O LYS A 82 3.271 12.148 -5.879 1.00 0.00 O ATOM 1174 CB LYS A 82 4.245 11.469 -3.072 1.00 0.00 C ATOM 1175 CG LYS A 82 3.890 11.320 -1.590 1.00 0.00 C ATOM 1176 CD LYS A 82 4.471 12.498 -0.805 1.00 0.00 C ATOM 1177 CE LYS A 82 5.861 12.127 -0.283 1.00 0.00 C ATOM 1178 NZ LYS A 82 6.112 12.831 1.008 1.00 0.00 N ATOM 0 H LYS A 82 4.073 8.972 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 82 2.197 11.134 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.230 11.043 -3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.296 12.524 -3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.808 11.285 -1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.286 10.381 -1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.534 13.379 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.815 12.754 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.932 11.049 -0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.621 12.403 -1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.057 12.579 1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.061 13.859 0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.393 12.547 1.704 1.00 0.00 H new ATOM 1192 N SER A 83 3.941 10.064 -6.152 1.00 0.00 N ATOM 1193 CA SER A 83 4.238 10.291 -7.600 1.00 0.00 C ATOM 1194 C SER A 83 2.970 10.751 -8.326 1.00 0.00 C ATOM 1195 O SER A 83 3.015 11.626 -9.171 1.00 0.00 O ATOM 1196 CB SER A 83 4.736 8.988 -8.228 1.00 0.00 C ATOM 1197 OG SER A 83 3.649 8.080 -8.351 1.00 0.00 O ATOM 0 H SER A 83 4.130 9.120 -5.815 1.00 0.00 H new ATOM 0 HA SER A 83 5.005 11.060 -7.692 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.172 9.186 -9.207 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.522 8.551 -7.612 1.00 0.00 H new ATOM 0 HG SER A 83 3.291 7.875 -7.462 1.00 0.00 H new ATOM 1203 N GLU A 84 1.844 10.171 -8.002 1.00 0.00 N ATOM 1204 CA GLU A 84 0.570 10.571 -8.669 1.00 0.00 C ATOM 1205 C GLU A 84 -0.259 11.428 -7.711 1.00 0.00 C ATOM 1206 O GLU A 84 -0.926 12.360 -8.120 1.00 0.00 O ATOM 1207 CB GLU A 84 -0.223 9.319 -9.049 1.00 0.00 C ATOM 1208 CG GLU A 84 0.561 8.511 -10.086 1.00 0.00 C ATOM 1209 CD GLU A 84 -0.416 7.825 -11.042 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -1.241 7.061 -10.567 1.00 0.00 O ATOM 1211 OE2 GLU A 84 -0.324 8.073 -12.232 1.00 0.00 O ATOM 0 H GLU A 84 1.752 9.435 -7.302 1.00 0.00 H new ATOM 0 HA GLU A 84 0.795 11.144 -9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.409 8.711 -8.164 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.196 9.601 -9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.231 9.166 -10.642 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.183 7.767 -9.589 1.00 0.00 H new ATOM 1218 N GLY A 85 -0.221 11.118 -6.441 1.00 0.00 N ATOM 1219 CA GLY A 85 -1.002 11.905 -5.447 1.00 0.00 C ATOM 1220 C GLY A 85 -2.133 11.041 -4.888 1.00 0.00 C ATOM 1221 O GLY A 85 -3.239 11.507 -4.684 1.00 0.00 O ATOM 0 H GLY A 85 0.322 10.348 -6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.351 12.238 -4.639 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.411 12.800 -5.916 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.861 9.786 -4.640 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.911 8.878 -4.093 1.00 0.00 C ATOM 1227 C LEU A 86 -3.001 9.055 -2.577 1.00 0.00 C ATOM 1228 O LEU A 86 -4.076 9.042 -2.005 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.546 7.428 -4.414 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.408 7.257 -5.928 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -1.393 6.153 -6.226 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -3.765 6.877 -6.524 1.00 0.00 C ATOM 0 H LEU A 86 -0.952 9.350 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.873 9.122 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.612 7.160 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.313 6.756 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.066 8.193 -6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.294 6.031 -7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.426 6.423 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.734 5.217 -5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.667 6.755 -7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.107 5.941 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.489 7.664 -6.312 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.879 9.222 -1.924 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.886 9.399 -0.442 1.00 0.00 C ATOM 1246 C GLY A 87 -0.591 10.083 -0.004 1.00 0.00 C ATOM 1247 O GLY A 87 0.126 10.645 -0.810 1.00 0.00 O ATOM 0 H GLY A 87 -0.955 9.243 -2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.746 9.997 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.983 8.431 0.050 1.00 0.00 H new ATOM 1251 N GLU A 88 -0.288 10.037 1.268 1.00 0.00 N ATOM 1252 CA GLU A 88 0.960 10.681 1.772 1.00 0.00 C ATOM 1253 C GLU A 88 1.144 10.346 3.254 1.00 0.00 C ATOM 1254 O GLU A 88 0.283 10.714 4.036 1.00 0.00 O ATOM 1255 CB GLU A 88 0.860 12.200 1.596 1.00 0.00 C ATOM 1256 CG GLU A 88 -0.403 12.719 2.293 1.00 0.00 C ATOM 1257 CD GLU A 88 -0.871 14.007 1.612 1.00 0.00 C ATOM 1258 OE1 GLU A 88 -1.142 13.995 0.336 1.00 0.00 O ATOM 1259 OE2 GLU A 88 -0.992 15.035 2.248 1.00 0.00 O ATOM 1260 OXT GLU A 88 2.144 9.728 3.582 1.00 0.00 O ATOM 0 H GLU A 88 -0.855 9.579 1.982 1.00 0.00 H new ATOM 0 HA GLU A 88 1.815 10.308 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.743 12.683 2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.832 12.452 0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.190 11.966 2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.198 12.906 3.347 1.00 0.00 H new TER 1267 GLU A 88