USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 389 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 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 10 TYR OH : rot 21:sc= 1.19 USER MOD Single : A 12 TYR OH : rot -168:sc= 1.19 USER MOD Single : A 21 ASN :FLIP amide:sc= 0.373 F(o=-1.2,f=0.37) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -70:sc= -2 USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00667) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -124:sc= -0.0124 (180deg=-0.336) USER MOD Single : A 46 SER OG : rot 180:sc= 0.043 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.890 -8.837 -3.518 1.00 0.00 N ATOM 2 CA ALA A 1 2.976 -7.413 -3.954 1.00 0.00 C ATOM 3 C ALA A 1 2.534 -6.484 -2.821 1.00 0.00 C ATOM 4 O ALA A 1 1.499 -6.684 -2.212 1.00 0.00 O ATOM 5 CB ALA A 1 2.018 -7.302 -5.140 1.00 0.00 C ATOM 0 H1 ALA A 1 3.193 -9.457 -4.296 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.509 -8.986 -2.696 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.908 -9.062 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 1 3.993 -7.126 -4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.025 -6.280 -5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.336 -7.983 -5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.010 -7.563 -4.819 1.00 0.00 H new ATOM 13 N LYS A 2 3.310 -5.470 -2.538 1.00 0.00 N ATOM 14 CA LYS A 2 2.943 -4.518 -1.447 1.00 0.00 C ATOM 15 C LYS A 2 2.581 -3.154 -2.040 1.00 0.00 C ATOM 16 O LYS A 2 2.724 -2.927 -3.227 1.00 0.00 O ATOM 17 CB LYS A 2 4.196 -4.411 -0.576 1.00 0.00 C ATOM 18 CG LYS A 2 4.529 -5.784 0.016 1.00 0.00 C ATOM 19 CD LYS A 2 6.053 -5.955 0.111 1.00 0.00 C ATOM 20 CE LYS A 2 6.485 -5.957 1.582 1.00 0.00 C ATOM 21 NZ LYS A 2 7.779 -6.694 1.600 1.00 0.00 N ATOM 0 H LYS A 2 4.185 -5.259 -3.017 1.00 0.00 H new ATOM 0 HA LYS A 2 2.079 -4.856 -0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.034 -4.047 -1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.035 -3.688 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.081 -5.882 1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.104 -6.571 -0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.354 -6.887 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.553 -5.147 -0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.603 -4.942 1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.742 -6.447 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.140 -6.738 2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.634 -7.659 1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.468 -6.200 0.998 1.00 0.00 H new ATOM 35 N TRP A 3 2.114 -2.245 -1.221 1.00 0.00 N ATOM 36 CA TRP A 3 1.741 -0.890 -1.730 1.00 0.00 C ATOM 37 C TRP A 3 2.185 0.173 -0.730 1.00 0.00 C ATOM 38 O TRP A 3 1.650 0.263 0.360 1.00 0.00 O ATOM 39 CB TRP A 3 0.215 -0.897 -1.842 1.00 0.00 C ATOM 40 CG TRP A 3 -0.195 -1.479 -3.155 1.00 0.00 C ATOM 41 CD1 TRP A 3 -0.090 -2.781 -3.514 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.785 -0.791 -4.286 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.571 -2.927 -4.804 1.00 0.00 N ATOM 44 CE2 TRP A 3 -1.013 -1.723 -5.322 1.00 0.00 C ATOM 45 CE3 TRP A 3 -1.134 0.547 -4.503 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.573 -1.335 -6.540 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.701 0.945 -5.726 1.00 0.00 C ATOM 48 CH2 TRP A 3 -1.918 0.005 -6.743 1.00 0.00 C ATOM 0 H TRP A 3 1.975 -2.383 -0.220 1.00 0.00 H new ATOM 0 HA TRP A 3 2.214 -0.668 -2.686 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -0.216 -1.478 -1.026 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.170 0.118 -1.748 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.304 -3.574 -2.896 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.596 -3.812 -5.310 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.967 1.278 -3.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.739 -2.064 -7.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -1.971 1.979 -5.883 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -2.351 0.315 -7.682 1.00 0.00 H new ATOM 59 N VAL A 4 3.159 0.973 -1.081 1.00 0.00 N ATOM 60 CA VAL A 4 3.632 2.019 -0.132 1.00 0.00 C ATOM 61 C VAL A 4 2.817 3.303 -0.283 1.00 0.00 C ATOM 62 O VAL A 4 2.390 3.670 -1.362 1.00 0.00 O ATOM 63 CB VAL A 4 5.112 2.253 -0.467 1.00 0.00 C ATOM 64 CG1 VAL A 4 5.260 2.719 -1.919 1.00 0.00 C ATOM 65 CG2 VAL A 4 5.694 3.316 0.476 1.00 0.00 C ATOM 0 H VAL A 4 3.643 0.946 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 4 3.509 1.704 0.904 1.00 0.00 H new ATOM 0 HB VAL A 4 5.654 1.316 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.314 2.881 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.860 1.957 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.712 3.650 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.744 3.480 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.144 4.250 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.607 2.974 1.507 1.00 0.00 H new ATOM 75 N LEU A 5 2.602 3.981 0.810 1.00 0.00 N ATOM 76 CA LEU A 5 1.824 5.247 0.783 1.00 0.00 C ATOM 77 C LEU A 5 2.794 6.430 0.713 1.00 0.00 C ATOM 78 O LEU A 5 3.357 6.843 1.710 1.00 0.00 O ATOM 79 CB LEU A 5 1.049 5.245 2.107 1.00 0.00 C ATOM 80 CG LEU A 5 -0.411 5.629 1.869 1.00 0.00 C ATOM 81 CD1 LEU A 5 -1.164 5.594 3.200 1.00 0.00 C ATOM 82 CD2 LEU A 5 -0.491 7.040 1.275 1.00 0.00 C ATOM 0 H LEU A 5 2.938 3.706 1.733 1.00 0.00 H new ATOM 0 HA LEU A 5 1.156 5.330 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.102 4.258 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.507 5.946 2.805 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.860 4.922 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.206 5.867 3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.114 4.589 3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.709 6.300 3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.535 7.306 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.041 7.752 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.046 7.067 0.327 1.00 0.00 H new ATOM 94 N LYS A 6 3.006 6.969 -0.464 1.00 0.00 N ATOM 95 CA LYS A 6 3.957 8.119 -0.620 1.00 0.00 C ATOM 96 C LYS A 6 3.624 9.250 0.362 1.00 0.00 C ATOM 97 O LYS A 6 4.475 10.046 0.713 1.00 0.00 O ATOM 98 CB LYS A 6 3.780 8.596 -2.064 1.00 0.00 C ATOM 99 CG LYS A 6 4.230 7.493 -3.026 1.00 0.00 C ATOM 100 CD LYS A 6 5.735 7.613 -3.276 1.00 0.00 C ATOM 101 CE LYS A 6 6.308 6.234 -3.615 1.00 0.00 C ATOM 102 NZ LYS A 6 7.617 6.511 -4.270 1.00 0.00 N ATOM 0 H LYS A 6 2.560 6.661 -1.328 1.00 0.00 H new ATOM 0 HA LYS A 6 4.983 7.819 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.736 8.850 -2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.364 9.501 -2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.998 6.514 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.687 7.574 -3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.924 8.308 -4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.230 8.017 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.436 5.628 -2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.643 5.683 -4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.071 5.613 -4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.463 7.083 -5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.232 7.031 -3.611 1.00 0.00 H new ATOM 116 N ILE A 7 2.395 9.325 0.804 1.00 0.00 N ATOM 117 CA ILE A 7 2.003 10.403 1.763 1.00 0.00 C ATOM 118 C ILE A 7 2.520 10.092 3.178 1.00 0.00 C ATOM 119 O ILE A 7 2.518 10.950 4.040 1.00 0.00 O ATOM 120 CB ILE A 7 0.467 10.423 1.744 1.00 0.00 C ATOM 121 CG1 ILE A 7 -0.039 10.690 0.316 1.00 0.00 C ATOM 122 CG2 ILE A 7 -0.050 11.518 2.685 1.00 0.00 C ATOM 123 CD1 ILE A 7 0.487 12.037 -0.196 1.00 0.00 C ATOM 0 H ILE A 7 1.645 8.686 0.542 1.00 0.00 H new ATOM 0 HA ILE A 7 2.428 11.366 1.481 1.00 0.00 H new ATOM 0 HB ILE A 7 0.097 9.454 2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.287 9.889 -0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.129 10.690 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.140 11.528 2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.295 11.319 3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.327 12.487 2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.120 12.210 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.139 12.836 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.577 12.023 -0.203 1.00 0.00 H new ATOM 135 N THR A 8 2.954 8.875 3.431 1.00 0.00 N ATOM 136 CA THR A 8 3.455 8.529 4.800 1.00 0.00 C ATOM 137 C THR A 8 4.537 7.446 4.733 1.00 0.00 C ATOM 138 O THR A 8 5.621 7.608 5.264 1.00 0.00 O ATOM 139 CB THR A 8 2.233 7.995 5.553 1.00 0.00 C ATOM 140 OG1 THR A 8 1.730 6.849 4.880 1.00 0.00 O ATOM 141 CG2 THR A 8 1.146 9.066 5.617 1.00 0.00 C ATOM 0 H THR A 8 2.982 8.114 2.753 1.00 0.00 H new ATOM 0 HA THR A 8 3.902 9.394 5.289 1.00 0.00 H new ATOM 0 HB THR A 8 2.527 7.727 6.568 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.949 6.504 5.361 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.282 8.676 6.154 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.530 9.944 6.136 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.849 9.344 4.606 1.00 0.00 H new ATOM 149 N GLY A 9 4.242 6.338 4.103 1.00 0.00 N ATOM 150 CA GLY A 9 5.237 5.228 4.017 1.00 0.00 C ATOM 151 C GLY A 9 4.566 3.892 4.377 1.00 0.00 C ATOM 152 O GLY A 9 5.148 2.837 4.206 1.00 0.00 O ATOM 0 H GLY A 9 3.351 6.154 3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.651 5.177 3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.069 5.421 4.694 1.00 0.00 H new ATOM 156 N TYR A 10 3.343 3.922 4.869 1.00 0.00 N ATOM 157 CA TYR A 10 2.626 2.650 5.236 1.00 0.00 C ATOM 158 C TYR A 10 2.687 1.649 4.061 1.00 0.00 C ATOM 159 O TYR A 10 2.760 2.040 2.912 1.00 0.00 O ATOM 160 CB TYR A 10 1.183 3.117 5.551 1.00 0.00 C ATOM 161 CG TYR A 10 0.169 2.009 5.349 1.00 0.00 C ATOM 162 CD1 TYR A 10 -0.094 1.094 6.375 1.00 0.00 C ATOM 163 CD2 TYR A 10 -0.507 1.909 4.129 1.00 0.00 C ATOM 164 CE1 TYR A 10 -1.036 0.077 6.178 1.00 0.00 C ATOM 165 CE2 TYR A 10 -1.446 0.895 3.932 1.00 0.00 C ATOM 166 CZ TYR A 10 -1.712 -0.022 4.956 1.00 0.00 C ATOM 167 OH TYR A 10 -2.642 -1.024 4.761 1.00 0.00 O ATOM 0 H TYR A 10 2.809 4.776 5.032 1.00 0.00 H new ATOM 0 HA TYR A 10 3.066 2.123 6.083 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.133 3.470 6.581 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.928 3.962 4.912 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.429 1.172 7.317 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.303 2.616 3.339 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.241 -0.630 6.968 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.967 0.818 2.989 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.954 -1.354 5.629 1.00 0.00 H new ATOM 177 N ILE A 11 2.670 0.369 4.350 1.00 0.00 N ATOM 178 CA ILE A 11 2.743 -0.654 3.255 1.00 0.00 C ATOM 179 C ILE A 11 1.637 -1.703 3.411 1.00 0.00 C ATOM 180 O ILE A 11 1.553 -2.373 4.424 1.00 0.00 O ATOM 181 CB ILE A 11 4.105 -1.342 3.423 1.00 0.00 C ATOM 182 CG1 ILE A 11 5.241 -0.304 3.470 1.00 0.00 C ATOM 183 CG2 ILE A 11 4.336 -2.311 2.261 1.00 0.00 C ATOM 184 CD1 ILE A 11 5.289 0.498 2.166 1.00 0.00 C ATOM 0 H ILE A 11 2.609 -0.012 5.294 1.00 0.00 H new ATOM 0 HA ILE A 11 2.622 -0.186 2.278 1.00 0.00 H new ATOM 0 HB ILE A 11 4.103 -1.892 4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.091 0.370 4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.195 -0.807 3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.303 -2.799 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.548 -3.064 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.321 -1.761 1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.098 1.227 2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.462 -0.178 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.341 1.017 2.023 1.00 0.00 H new ATOM 196 N TYR A 12 0.815 -1.880 2.406 1.00 0.00 N ATOM 197 CA TYR A 12 -0.254 -2.923 2.490 1.00 0.00 C ATOM 198 C TYR A 12 0.322 -4.247 1.972 1.00 0.00 C ATOM 199 O TYR A 12 0.599 -4.391 0.795 1.00 0.00 O ATOM 200 CB TYR A 12 -1.408 -2.416 1.596 1.00 0.00 C ATOM 201 CG TYR A 12 -2.373 -3.548 1.261 1.00 0.00 C ATOM 202 CD1 TYR A 12 -3.356 -3.940 2.182 1.00 0.00 C ATOM 203 CD2 TYR A 12 -2.274 -4.206 0.027 1.00 0.00 C ATOM 204 CE1 TYR A 12 -4.235 -4.989 1.864 1.00 0.00 C ATOM 205 CE2 TYR A 12 -3.153 -5.252 -0.286 1.00 0.00 C ATOM 206 CZ TYR A 12 -4.132 -5.641 0.633 1.00 0.00 C ATOM 207 OH TYR A 12 -4.997 -6.671 0.325 1.00 0.00 O ATOM 0 H TYR A 12 0.838 -1.350 1.535 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.613 -3.092 3.505 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.943 -1.615 2.106 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.003 -1.994 0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.437 -3.436 3.134 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.519 -3.906 -0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.992 -5.292 2.573 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.074 -5.757 -1.237 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.676 -7.140 -0.474 1.00 0.00 H new ATOM 217 N ASP A 13 0.497 -5.207 2.839 1.00 0.00 N ATOM 218 CA ASP A 13 1.047 -6.518 2.395 1.00 0.00 C ATOM 219 C ASP A 13 -0.068 -7.342 1.754 1.00 0.00 C ATOM 220 O ASP A 13 -0.703 -8.154 2.397 1.00 0.00 O ATOM 221 CB ASP A 13 1.563 -7.186 3.672 1.00 0.00 C ATOM 222 CG ASP A 13 2.171 -8.548 3.331 1.00 0.00 C ATOM 223 OD1 ASP A 13 2.809 -8.647 2.296 1.00 0.00 O ATOM 224 OD2 ASP A 13 1.989 -9.468 4.110 1.00 0.00 O ATOM 0 H ASP A 13 0.283 -5.140 3.834 1.00 0.00 H new ATOM 0 HA ASP A 13 1.840 -6.419 1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.311 -6.552 4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.748 -7.309 4.385 1.00 0.00 H new ATOM 229 N GLU A 14 -0.313 -7.129 0.482 1.00 0.00 N ATOM 230 CA GLU A 14 -1.394 -7.887 -0.224 1.00 0.00 C ATOM 231 C GLU A 14 -1.184 -9.399 -0.079 1.00 0.00 C ATOM 232 O GLU A 14 -2.113 -10.163 -0.221 1.00 0.00 O ATOM 233 CB GLU A 14 -1.301 -7.456 -1.693 1.00 0.00 C ATOM 234 CG GLU A 14 -2.529 -7.948 -2.460 1.00 0.00 C ATOM 235 CD GLU A 14 -2.167 -9.186 -3.284 1.00 0.00 C ATOM 236 OE1 GLU A 14 -2.117 -10.262 -2.709 1.00 0.00 O ATOM 237 OE2 GLU A 14 -1.944 -9.038 -4.474 1.00 0.00 O ATOM 0 H GLU A 14 0.192 -6.460 -0.099 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.378 -7.674 0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.232 -6.370 -1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.394 -7.861 -2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.332 -8.186 -1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.899 -7.160 -3.115 1.00 0.00 H new ATOM 244 N ASP A 15 0.014 -9.837 0.233 1.00 0.00 N ATOM 245 CA ASP A 15 0.245 -11.305 0.417 1.00 0.00 C ATOM 246 C ASP A 15 -0.622 -11.800 1.580 1.00 0.00 C ATOM 247 O ASP A 15 -1.070 -12.930 1.606 1.00 0.00 O ATOM 248 CB ASP A 15 1.731 -11.449 0.753 1.00 0.00 C ATOM 249 CG ASP A 15 2.206 -12.852 0.371 1.00 0.00 C ATOM 250 OD1 ASP A 15 1.557 -13.804 0.770 1.00 0.00 O ATOM 251 OD2 ASP A 15 3.211 -12.950 -0.313 1.00 0.00 O ATOM 0 H ASP A 15 0.835 -9.246 0.367 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.015 -11.887 -0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.311 -10.698 0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.893 -11.276 1.817 1.00 0.00 H new ATOM 256 N ALA A 16 -0.871 -10.937 2.532 1.00 0.00 N ATOM 257 CA ALA A 16 -1.722 -11.303 3.698 1.00 0.00 C ATOM 258 C ALA A 16 -3.001 -10.470 3.663 1.00 0.00 C ATOM 259 O ALA A 16 -4.086 -10.956 3.923 1.00 0.00 O ATOM 260 CB ALA A 16 -0.890 -10.933 4.925 1.00 0.00 C ATOM 0 H ALA A 16 -0.514 -9.982 2.548 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.005 -12.356 3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.449 -11.173 5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.043 -11.496 4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.670 -9.866 4.907 1.00 0.00 H new ATOM 266 N GLY A 17 -2.868 -9.208 3.347 1.00 0.00 N ATOM 267 CA GLY A 17 -4.052 -8.311 3.290 1.00 0.00 C ATOM 268 C GLY A 17 -3.836 -7.127 4.232 1.00 0.00 C ATOM 269 O GLY A 17 -3.039 -6.249 3.972 1.00 0.00 O ATOM 0 H GLY A 17 -1.979 -8.760 3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.205 -7.956 2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.951 -8.858 3.575 1.00 0.00 H new ATOM 273 N ASP A 18 -4.546 -7.099 5.335 1.00 0.00 N ATOM 274 CA ASP A 18 -4.412 -5.979 6.327 1.00 0.00 C ATOM 275 C ASP A 18 -5.501 -6.128 7.402 1.00 0.00 C ATOM 276 O ASP A 18 -6.612 -5.677 7.212 1.00 0.00 O ATOM 277 CB ASP A 18 -4.623 -4.661 5.551 1.00 0.00 C ATOM 278 CG ASP A 18 -3.407 -3.750 5.739 1.00 0.00 C ATOM 279 OD1 ASP A 18 -2.364 -4.066 5.189 1.00 0.00 O ATOM 280 OD2 ASP A 18 -3.539 -2.752 6.428 1.00 0.00 O ATOM 0 H ASP A 18 -5.224 -7.815 5.596 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.436 -5.991 6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.771 -4.871 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.523 -4.159 5.906 1.00 0.00 H new ATOM 285 N PRO A 19 -5.156 -6.755 8.503 1.00 0.00 N ATOM 286 CA PRO A 19 -6.141 -6.946 9.600 1.00 0.00 C ATOM 287 C PRO A 19 -6.553 -5.601 10.219 1.00 0.00 C ATOM 288 O PRO A 19 -7.517 -5.530 10.959 1.00 0.00 O ATOM 289 CB PRO A 19 -5.394 -7.826 10.604 1.00 0.00 C ATOM 290 CG PRO A 19 -3.949 -7.581 10.320 1.00 0.00 C ATOM 291 CD PRO A 19 -3.848 -7.336 8.839 1.00 0.00 C ATOM 0 HA PRO A 19 -7.073 -7.398 9.261 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.647 -7.559 11.630 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.650 -8.878 10.476 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.582 -6.723 10.882 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.344 -8.438 10.615 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.032 -6.655 8.599 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.665 -8.260 8.290 1.00 0.00 H new ATOM 299 N ASP A 20 -5.846 -4.536 9.918 1.00 0.00 N ATOM 300 CA ASP A 20 -6.218 -3.202 10.486 1.00 0.00 C ATOM 301 C ASP A 20 -7.529 -2.714 9.857 1.00 0.00 C ATOM 302 O ASP A 20 -8.327 -2.057 10.498 1.00 0.00 O ATOM 303 CB ASP A 20 -5.065 -2.266 10.112 1.00 0.00 C ATOM 304 CG ASP A 20 -3.954 -2.379 11.157 1.00 0.00 C ATOM 305 OD1 ASP A 20 -4.100 -1.789 12.214 1.00 0.00 O ATOM 306 OD2 ASP A 20 -2.976 -3.055 10.882 1.00 0.00 O ATOM 0 H ASP A 20 -5.030 -4.534 9.306 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.371 -3.242 11.564 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.679 -2.524 9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.422 -1.238 10.055 1.00 0.00 H new ATOM 311 N ASN A 21 -7.752 -3.034 8.606 1.00 0.00 N ATOM 312 CA ASN A 21 -9.009 -2.597 7.924 1.00 0.00 C ATOM 313 C ASN A 21 -9.916 -3.801 7.628 1.00 0.00 C ATOM 314 O ASN A 21 -10.831 -3.709 6.832 1.00 0.00 O ATOM 315 CB ASN A 21 -8.544 -1.947 6.613 1.00 0.00 C ATOM 316 CG ASN A 21 -8.620 -0.424 6.734 1.00 0.00 C ATOM 317 OD1 ASN A 21 -8.064 0.166 7.757 1.00 0.00 O flip ATOM 318 ND2 ASN A 21 -9.191 0.237 5.889 1.00 0.00 N flip ATOM 0 H ASN A 21 -7.115 -3.581 8.026 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.589 -1.913 8.543 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.522 -2.252 6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.168 -2.287 5.787 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.626 -0.223 5.089 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.235 1.252 5.980 1.00 0.00 H new ATOM 325 N GLY A 22 -9.672 -4.931 8.257 1.00 0.00 N ATOM 326 CA GLY A 22 -10.520 -6.138 8.004 1.00 0.00 C ATOM 327 C GLY A 22 -10.491 -6.482 6.512 1.00 0.00 C ATOM 328 O GLY A 22 -11.501 -6.431 5.834 1.00 0.00 O ATOM 0 H GLY A 22 -8.921 -5.066 8.934 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.154 -6.981 8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.545 -5.949 8.324 1.00 0.00 H new ATOM 332 N ILE A 23 -9.336 -6.817 5.996 1.00 0.00 N ATOM 333 CA ILE A 23 -9.227 -7.150 4.544 1.00 0.00 C ATOM 334 C ILE A 23 -9.353 -8.659 4.327 1.00 0.00 C ATOM 335 O ILE A 23 -9.209 -9.447 5.242 1.00 0.00 O ATOM 336 CB ILE A 23 -7.833 -6.661 4.127 1.00 0.00 C ATOM 337 CG1 ILE A 23 -7.703 -5.153 4.405 1.00 0.00 C ATOM 338 CG2 ILE A 23 -7.604 -6.936 2.633 1.00 0.00 C ATOM 339 CD1 ILE A 23 -8.678 -4.353 3.532 1.00 0.00 C ATOM 0 H ILE A 23 -8.462 -6.874 6.519 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.018 -6.683 3.957 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.082 -7.198 4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.903 -4.954 5.458 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.681 -4.829 4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.612 -6.586 2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.679 -8.007 2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.358 -6.411 2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.569 -3.290 3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.459 -4.537 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.700 -4.664 3.749 1.00 0.00 H new ATOM 351 N SER A 24 -9.617 -9.055 3.112 1.00 0.00 N ATOM 352 CA SER A 24 -9.753 -10.508 2.793 1.00 0.00 C ATOM 353 C SER A 24 -8.361 -11.146 2.640 1.00 0.00 C ATOM 354 O SER A 24 -7.368 -10.446 2.642 1.00 0.00 O ATOM 355 CB SER A 24 -10.516 -10.546 1.464 1.00 0.00 C ATOM 356 OG SER A 24 -11.831 -11.038 1.691 1.00 0.00 O ATOM 0 H SER A 24 -9.746 -8.429 2.317 1.00 0.00 H new ATOM 0 HA SER A 24 -10.271 -11.062 3.576 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.559 -9.548 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.995 -11.184 0.750 1.00 0.00 H new ATOM 0 HG SER A 24 -12.322 -11.062 0.843 1.00 0.00 H new ATOM 362 N PRO A 25 -8.322 -12.455 2.500 1.00 0.00 N ATOM 363 CA PRO A 25 -7.020 -13.151 2.334 1.00 0.00 C ATOM 364 C PRO A 25 -6.445 -12.833 0.954 1.00 0.00 C ATOM 365 O PRO A 25 -6.956 -13.280 -0.056 1.00 0.00 O ATOM 366 CB PRO A 25 -7.380 -14.630 2.454 1.00 0.00 C ATOM 367 CG PRO A 25 -8.823 -14.706 2.070 1.00 0.00 C ATOM 368 CD PRO A 25 -9.452 -13.399 2.476 1.00 0.00 C ATOM 0 HA PRO A 25 -6.267 -12.852 3.063 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.763 -15.242 1.796 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.221 -14.994 3.469 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.929 -14.869 0.998 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.312 -15.542 2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.218 -13.087 1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.932 -13.473 3.452 1.00 0.00 H new ATOM 376 N GLY A 26 -5.404 -12.041 0.902 1.00 0.00 N ATOM 377 CA GLY A 26 -4.817 -11.665 -0.411 1.00 0.00 C ATOM 378 C GLY A 26 -5.411 -10.318 -0.808 1.00 0.00 C ATOM 379 O GLY A 26 -4.943 -9.275 -0.396 1.00 0.00 O ATOM 0 H GLY A 26 -4.938 -11.640 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.731 -11.600 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.043 -12.421 -1.163 1.00 0.00 H new ATOM 383 N THR A 27 -6.462 -10.337 -1.593 1.00 0.00 N ATOM 384 CA THR A 27 -7.135 -9.074 -2.015 1.00 0.00 C ATOM 385 C THR A 27 -6.140 -8.130 -2.671 1.00 0.00 C ATOM 386 O THR A 27 -5.407 -7.426 -2.004 1.00 0.00 O ATOM 387 CB THR A 27 -7.714 -8.465 -0.723 1.00 0.00 C ATOM 388 OG1 THR A 27 -8.712 -9.332 -0.206 1.00 0.00 O ATOM 389 CG2 THR A 27 -8.334 -7.090 -1.003 1.00 0.00 C ATOM 0 H THR A 27 -6.886 -11.188 -1.963 1.00 0.00 H new ATOM 0 HA THR A 27 -7.916 -9.255 -2.753 1.00 0.00 H new ATOM 0 HB THR A 27 -6.908 -8.344 0.001 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.497 -9.314 -0.792 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.737 -6.677 -0.078 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.570 -6.420 -1.397 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.136 -7.195 -1.733 1.00 0.00 H new ATOM 397 N LYS A 28 -6.120 -8.105 -3.975 1.00 0.00 N ATOM 398 CA LYS A 28 -5.182 -7.199 -4.680 1.00 0.00 C ATOM 399 C LYS A 28 -5.486 -5.750 -4.278 1.00 0.00 C ATOM 400 O LYS A 28 -6.606 -5.300 -4.415 1.00 0.00 O ATOM 401 CB LYS A 28 -5.446 -7.413 -6.173 1.00 0.00 C ATOM 402 CG LYS A 28 -4.741 -8.689 -6.640 1.00 0.00 C ATOM 403 CD LYS A 28 -5.590 -9.379 -7.710 1.00 0.00 C ATOM 404 CE LYS A 28 -5.026 -10.772 -7.995 1.00 0.00 C ATOM 405 NZ LYS A 28 -3.888 -10.543 -8.927 1.00 0.00 N ATOM 0 H LYS A 28 -6.714 -8.674 -4.579 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.140 -7.400 -4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.518 -7.490 -6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.086 -6.557 -6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.757 -8.447 -7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.585 -9.361 -5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.624 -9.456 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.595 -8.784 -8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.694 -11.258 -7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.780 -11.419 -8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.481 -11.457 -9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.227 -10.039 -9.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.160 -9.972 -8.452 1.00 0.00 H new ATOM 419 N PHE A 29 -4.517 -5.021 -3.764 1.00 0.00 N ATOM 420 CA PHE A 29 -4.784 -3.598 -3.342 1.00 0.00 C ATOM 421 C PHE A 29 -5.495 -2.817 -4.459 1.00 0.00 C ATOM 422 O PHE A 29 -6.217 -1.871 -4.202 1.00 0.00 O ATOM 423 CB PHE A 29 -3.403 -3.002 -3.060 1.00 0.00 C ATOM 424 CG PHE A 29 -3.545 -1.571 -2.592 1.00 0.00 C ATOM 425 CD1 PHE A 29 -3.709 -0.548 -3.529 1.00 0.00 C ATOM 426 CD2 PHE A 29 -3.500 -1.267 -1.226 1.00 0.00 C ATOM 427 CE1 PHE A 29 -3.827 0.780 -3.104 1.00 0.00 C ATOM 428 CE2 PHE A 29 -3.622 0.061 -0.800 1.00 0.00 C ATOM 429 CZ PHE A 29 -3.784 1.086 -1.740 1.00 0.00 C ATOM 0 H PHE A 29 -3.561 -5.344 -3.619 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.438 -3.549 -2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.891 -3.593 -2.301 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.790 -3.040 -3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.745 -0.782 -4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.371 -2.057 -0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.951 1.570 -3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.591 0.295 0.254 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.876 2.111 -1.412 1.00 0.00 H new ATOM 439 N GLU A 30 -5.305 -3.218 -5.690 1.00 0.00 N ATOM 440 CA GLU A 30 -5.981 -2.514 -6.823 1.00 0.00 C ATOM 441 C GLU A 30 -7.450 -2.957 -6.937 1.00 0.00 C ATOM 442 O GLU A 30 -8.233 -2.348 -7.643 1.00 0.00 O ATOM 443 CB GLU A 30 -5.196 -2.915 -8.079 1.00 0.00 C ATOM 444 CG GLU A 30 -5.217 -4.440 -8.255 1.00 0.00 C ATOM 445 CD GLU A 30 -5.374 -4.784 -9.737 1.00 0.00 C ATOM 446 OE1 GLU A 30 -6.490 -4.722 -10.226 1.00 0.00 O ATOM 447 OE2 GLU A 30 -4.375 -5.107 -10.358 1.00 0.00 O ATOM 0 H GLU A 30 -4.711 -4.002 -5.960 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.990 -1.433 -6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.630 -2.435 -8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.167 -2.565 -8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.296 -4.874 -7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.038 -4.871 -7.682 1.00 0.00 H new ATOM 454 N GLU A 31 -7.830 -4.015 -6.255 1.00 0.00 N ATOM 455 CA GLU A 31 -9.239 -4.499 -6.328 1.00 0.00 C ATOM 456 C GLU A 31 -10.032 -4.076 -5.084 1.00 0.00 C ATOM 457 O GLU A 31 -11.248 -4.103 -5.087 1.00 0.00 O ATOM 458 CB GLU A 31 -9.131 -6.021 -6.398 1.00 0.00 C ATOM 459 CG GLU A 31 -8.679 -6.437 -7.800 1.00 0.00 C ATOM 460 CD GLU A 31 -9.827 -6.229 -8.789 1.00 0.00 C ATOM 461 OE1 GLU A 31 -10.662 -7.111 -8.892 1.00 0.00 O ATOM 462 OE2 GLU A 31 -9.850 -5.189 -9.427 1.00 0.00 O ATOM 0 H GLU A 31 -7.218 -4.563 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.765 -4.081 -7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.420 -6.380 -5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.094 -6.476 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.813 -5.849 -8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.371 -7.482 -7.799 1.00 0.00 H new ATOM 469 N LEU A 32 -9.362 -3.685 -4.018 1.00 0.00 N ATOM 470 CA LEU A 32 -10.098 -3.263 -2.779 1.00 0.00 C ATOM 471 C LEU A 32 -11.125 -2.165 -3.124 1.00 0.00 C ATOM 472 O LEU A 32 -10.937 -1.435 -4.078 1.00 0.00 O ATOM 473 CB LEU A 32 -9.024 -2.722 -1.824 1.00 0.00 C ATOM 474 CG LEU A 32 -8.537 -3.833 -0.883 1.00 0.00 C ATOM 475 CD1 LEU A 32 -7.395 -3.296 -0.020 1.00 0.00 C ATOM 476 CD2 LEU A 32 -9.677 -4.305 0.031 1.00 0.00 C ATOM 0 H LEU A 32 -8.345 -3.641 -3.954 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.650 -4.088 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.185 -2.327 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.429 -1.895 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.194 -4.676 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.045 -4.081 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.574 -2.974 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.750 -2.449 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.312 -5.092 0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.034 -3.467 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.495 -4.691 -0.577 1.00 0.00 H new ATOM 488 N PRO A 33 -12.191 -2.089 -2.357 1.00 0.00 N ATOM 489 CA PRO A 33 -13.241 -1.077 -2.631 1.00 0.00 C ATOM 490 C PRO A 33 -12.781 0.316 -2.198 1.00 0.00 C ATOM 491 O PRO A 33 -11.928 0.459 -1.342 1.00 0.00 O ATOM 492 CB PRO A 33 -14.423 -1.544 -1.786 1.00 0.00 C ATOM 493 CG PRO A 33 -13.822 -2.348 -0.677 1.00 0.00 C ATOM 494 CD PRO A 33 -12.519 -2.914 -1.182 1.00 0.00 C ATOM 0 HA PRO A 33 -13.484 -0.997 -3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.987 -0.697 -1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.116 -2.144 -2.376 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.654 -1.725 0.201 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.497 -3.149 -0.375 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.739 -2.853 -0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.620 -3.965 -1.451 1.00 0.00 H new ATOM 502 N ASP A 34 -13.346 1.343 -2.783 1.00 0.00 N ATOM 503 CA ASP A 34 -12.951 2.735 -2.405 1.00 0.00 C ATOM 504 C ASP A 34 -13.251 2.997 -0.928 1.00 0.00 C ATOM 505 O ASP A 34 -12.707 3.909 -0.333 1.00 0.00 O ATOM 506 CB ASP A 34 -13.779 3.661 -3.305 1.00 0.00 C ATOM 507 CG ASP A 34 -15.273 3.392 -3.097 1.00 0.00 C ATOM 508 OD1 ASP A 34 -15.746 2.378 -3.588 1.00 0.00 O ATOM 509 OD2 ASP A 34 -15.918 4.202 -2.453 1.00 0.00 O ATOM 0 H ASP A 34 -14.063 1.278 -3.505 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.882 2.902 -2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.553 4.702 -3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.514 3.500 -4.350 1.00 0.00 H new ATOM 514 N ASP A 35 -14.094 2.193 -0.323 1.00 0.00 N ATOM 515 CA ASP A 35 -14.404 2.387 1.124 1.00 0.00 C ATOM 516 C ASP A 35 -13.268 1.828 1.998 1.00 0.00 C ATOM 517 O ASP A 35 -13.338 1.878 3.212 1.00 0.00 O ATOM 518 CB ASP A 35 -15.697 1.604 1.363 1.00 0.00 C ATOM 519 CG ASP A 35 -16.603 2.387 2.316 1.00 0.00 C ATOM 520 OD1 ASP A 35 -16.183 2.630 3.435 1.00 0.00 O ATOM 521 OD2 ASP A 35 -17.701 2.731 1.909 1.00 0.00 O ATOM 0 H ASP A 35 -14.578 1.414 -0.770 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.510 3.441 1.381 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.210 1.432 0.417 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.469 0.625 1.784 1.00 0.00 H new ATOM 526 N TRP A 36 -12.218 1.300 1.397 1.00 0.00 N ATOM 527 CA TRP A 36 -11.089 0.749 2.208 1.00 0.00 C ATOM 528 C TRP A 36 -10.461 1.869 3.050 1.00 0.00 C ATOM 529 O TRP A 36 -10.764 2.019 4.217 1.00 0.00 O ATOM 530 CB TRP A 36 -10.104 0.167 1.175 1.00 0.00 C ATOM 531 CG TRP A 36 -8.859 -0.316 1.853 1.00 0.00 C ATOM 532 CD1 TRP A 36 -8.756 -1.456 2.575 1.00 0.00 C ATOM 533 CD2 TRP A 36 -7.542 0.305 1.881 1.00 0.00 C ATOM 534 NE1 TRP A 36 -7.462 -1.569 3.049 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.676 -0.509 2.649 1.00 0.00 C ATOM 536 CE3 TRP A 36 -7.021 1.484 1.322 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -5.340 -0.162 2.854 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -5.680 1.834 1.527 1.00 0.00 C ATOM 539 CH2 TRP A 36 -4.840 1.014 2.292 1.00 0.00 C ATOM 0 H TRP A 36 -12.100 1.230 0.386 1.00 0.00 H new ATOM 0 HA TRP A 36 -11.401 -0.019 2.916 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -10.575 -0.656 0.638 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -9.851 0.927 0.436 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.554 -2.162 2.752 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.129 -2.343 3.625 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.658 2.125 0.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.697 -0.799 3.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.291 2.743 1.092 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.808 1.291 2.447 1.00 0.00 H new ATOM 550 N VAL A 37 -9.601 2.654 2.462 1.00 0.00 N ATOM 551 CA VAL A 37 -8.941 3.782 3.201 1.00 0.00 C ATOM 552 C VAL A 37 -8.287 3.280 4.497 1.00 0.00 C ATOM 553 O VAL A 37 -8.945 3.071 5.499 1.00 0.00 O ATOM 554 CB VAL A 37 -10.063 4.785 3.502 1.00 0.00 C ATOM 555 CG1 VAL A 37 -9.490 5.993 4.250 1.00 0.00 C ATOM 556 CG2 VAL A 37 -10.688 5.260 2.187 1.00 0.00 C ATOM 0 H VAL A 37 -9.320 2.565 1.486 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.143 4.237 2.614 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.821 4.301 4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.290 6.703 4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.041 5.662 5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.731 6.475 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.485 5.972 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.925 5.741 1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.099 4.405 1.650 1.00 0.00 H new ATOM 566 N ALA A 38 -6.993 3.090 4.477 1.00 0.00 N ATOM 567 CA ALA A 38 -6.271 2.601 5.698 1.00 0.00 C ATOM 568 C ALA A 38 -6.589 3.488 6.917 1.00 0.00 C ATOM 569 O ALA A 38 -7.240 4.506 6.779 1.00 0.00 O ATOM 570 CB ALA A 38 -4.788 2.693 5.340 1.00 0.00 C ATOM 0 H ALA A 38 -6.399 3.253 3.664 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.569 1.588 5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.188 2.352 6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.584 2.066 4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.533 3.727 5.108 1.00 0.00 H new ATOM 576 N PRO A 39 -6.131 3.072 8.080 1.00 0.00 N ATOM 577 CA PRO A 39 -6.398 3.852 9.313 1.00 0.00 C ATOM 578 C PRO A 39 -5.493 5.087 9.394 1.00 0.00 C ATOM 579 O PRO A 39 -5.966 6.203 9.497 1.00 0.00 O ATOM 580 CB PRO A 39 -6.077 2.871 10.437 1.00 0.00 C ATOM 581 CG PRO A 39 -5.113 1.889 9.850 1.00 0.00 C ATOM 582 CD PRO A 39 -5.338 1.861 8.358 1.00 0.00 C ATOM 0 HA PRO A 39 -7.419 4.230 9.357 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.640 3.385 11.293 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.979 2.371 10.791 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.087 2.178 10.077 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.267 0.899 10.279 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.393 1.872 7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.870 0.960 8.054 1.00 0.00 H new ATOM 590 N ILE A 40 -4.198 4.894 9.356 1.00 0.00 N ATOM 591 CA ILE A 40 -3.260 6.056 9.439 1.00 0.00 C ATOM 592 C ILE A 40 -3.229 6.807 8.104 1.00 0.00 C ATOM 593 O ILE A 40 -2.545 6.417 7.178 1.00 0.00 O ATOM 594 CB ILE A 40 -1.886 5.445 9.749 1.00 0.00 C ATOM 595 CG1 ILE A 40 -1.955 4.634 11.056 1.00 0.00 C ATOM 596 CG2 ILE A 40 -0.844 6.559 9.891 1.00 0.00 C ATOM 597 CD1 ILE A 40 -2.375 5.537 12.224 1.00 0.00 C ATOM 0 H ILE A 40 -3.750 3.982 9.271 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.562 6.775 10.200 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.599 4.784 8.931 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.667 3.816 10.947 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.984 4.186 11.265 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.129 6.121 10.111 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.786 7.124 8.960 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.133 7.226 10.703 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.419 4.949 13.141 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.648 6.340 12.343 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.357 5.964 12.019 1.00 0.00 H new ATOM 609 N THR A 41 -3.972 7.885 8.002 1.00 0.00 N ATOM 610 CA THR A 41 -4.002 8.682 6.731 1.00 0.00 C ATOM 611 C THR A 41 -4.302 7.775 5.530 1.00 0.00 C ATOM 612 O THR A 41 -3.664 7.865 4.498 1.00 0.00 O ATOM 613 CB THR A 41 -2.606 9.297 6.605 1.00 0.00 C ATOM 614 OG1 THR A 41 -2.241 9.896 7.840 1.00 0.00 O ATOM 615 CG2 THR A 41 -2.611 10.359 5.503 1.00 0.00 C ATOM 0 H THR A 41 -4.563 8.250 8.749 1.00 0.00 H new ATOM 0 HA THR A 41 -4.781 9.444 6.750 1.00 0.00 H new ATOM 0 HB THR A 41 -1.887 8.518 6.352 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.347 10.289 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.616 10.796 5.414 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.891 9.899 4.555 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.329 11.140 5.753 1.00 0.00 H new ATOM 623 N GLY A 42 -5.269 6.903 5.666 1.00 0.00 N ATOM 624 CA GLY A 42 -5.620 5.982 4.545 1.00 0.00 C ATOM 625 C GLY A 42 -6.077 6.793 3.331 1.00 0.00 C ATOM 626 O GLY A 42 -6.295 7.987 3.418 1.00 0.00 O ATOM 0 H GLY A 42 -5.832 6.790 6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.757 5.370 4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.411 5.300 4.857 1.00 0.00 H new ATOM 630 N ALA A 43 -6.222 6.151 2.200 1.00 0.00 N ATOM 631 CA ALA A 43 -6.666 6.875 0.972 1.00 0.00 C ATOM 632 C ALA A 43 -7.039 5.872 -0.133 1.00 0.00 C ATOM 633 O ALA A 43 -6.861 4.682 0.037 1.00 0.00 O ATOM 634 CB ALA A 43 -5.460 7.719 0.547 1.00 0.00 C ATOM 0 H ALA A 43 -6.051 5.153 2.074 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.548 7.489 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.709 8.282 -0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.200 8.411 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.612 7.065 0.342 1.00 0.00 H new ATOM 640 N PRO A 44 -7.547 6.380 -1.237 1.00 0.00 N ATOM 641 CA PRO A 44 -7.937 5.492 -2.364 1.00 0.00 C ATOM 642 C PRO A 44 -6.698 4.873 -3.018 1.00 0.00 C ATOM 643 O PRO A 44 -5.618 4.885 -2.458 1.00 0.00 O ATOM 644 CB PRO A 44 -8.661 6.431 -3.328 1.00 0.00 C ATOM 645 CG PRO A 44 -8.123 7.789 -3.018 1.00 0.00 C ATOM 646 CD PRO A 44 -7.803 7.797 -1.547 1.00 0.00 C ATOM 0 HA PRO A 44 -8.558 4.652 -2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.469 6.157 -4.365 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.741 6.391 -3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.232 7.997 -3.610 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.854 8.560 -3.260 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.934 8.418 -1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.632 8.192 -0.959 1.00 0.00 H new ATOM 654 N LYS A 45 -6.852 4.321 -4.196 1.00 0.00 N ATOM 655 CA LYS A 45 -5.689 3.684 -4.894 1.00 0.00 C ATOM 656 C LYS A 45 -4.837 4.736 -5.608 1.00 0.00 C ATOM 657 O LYS A 45 -3.679 4.510 -5.903 1.00 0.00 O ATOM 658 CB LYS A 45 -6.300 2.713 -5.922 1.00 0.00 C ATOM 659 CG LYS A 45 -7.346 1.796 -5.263 1.00 0.00 C ATOM 660 CD LYS A 45 -6.729 1.077 -4.062 1.00 0.00 C ATOM 661 CE LYS A 45 -7.803 0.248 -3.355 1.00 0.00 C ATOM 662 NZ LYS A 45 -8.590 1.235 -2.568 1.00 0.00 N ATOM 0 H LYS A 45 -7.734 4.283 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.036 3.173 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.765 3.278 -6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.511 2.108 -6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.207 2.383 -4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.710 1.066 -5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.914 0.432 -4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.301 1.803 -3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.433 -0.278 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.357 -0.508 -2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.596 0.955 -1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.159 2.177 -2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.566 1.264 -2.925 1.00 0.00 H new ATOM 676 N SER A 46 -5.405 5.876 -5.894 1.00 0.00 N ATOM 677 CA SER A 46 -4.636 6.949 -6.601 1.00 0.00 C ATOM 678 C SER A 46 -3.651 7.656 -5.654 1.00 0.00 C ATOM 679 O SER A 46 -2.929 8.544 -6.069 1.00 0.00 O ATOM 680 CB SER A 46 -5.693 7.934 -7.095 1.00 0.00 C ATOM 681 OG SER A 46 -6.635 8.171 -6.056 1.00 0.00 O ATOM 0 H SER A 46 -6.371 6.114 -5.669 1.00 0.00 H new ATOM 0 HA SER A 46 -4.036 6.537 -7.412 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.222 8.870 -7.396 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.197 7.534 -7.975 1.00 0.00 H new ATOM 0 HG SER A 46 -7.314 8.804 -6.369 1.00 0.00 H new ATOM 687 N GLU A 47 -3.611 7.284 -4.394 1.00 0.00 N ATOM 688 CA GLU A 47 -2.669 7.956 -3.446 1.00 0.00 C ATOM 689 C GLU A 47 -1.591 6.982 -2.944 1.00 0.00 C ATOM 690 O GLU A 47 -0.862 7.290 -2.019 1.00 0.00 O ATOM 691 CB GLU A 47 -3.548 8.421 -2.290 1.00 0.00 C ATOM 692 CG GLU A 47 -3.030 9.759 -1.757 1.00 0.00 C ATOM 693 CD GLU A 47 -3.685 10.906 -2.530 1.00 0.00 C ATOM 694 OE1 GLU A 47 -4.903 10.982 -2.520 1.00 0.00 O ATOM 695 OE2 GLU A 47 -2.958 11.688 -3.120 1.00 0.00 O ATOM 0 H GLU A 47 -4.187 6.548 -3.985 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.135 8.778 -3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.580 8.526 -2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.545 7.676 -1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.253 9.849 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.946 9.809 -1.861 1.00 0.00 H new ATOM 702 N PHE A 48 -1.475 5.816 -3.540 1.00 0.00 N ATOM 703 CA PHE A 48 -0.436 4.842 -3.085 1.00 0.00 C ATOM 704 C PHE A 48 0.580 4.583 -4.201 1.00 0.00 C ATOM 705 O PHE A 48 0.582 5.246 -5.221 1.00 0.00 O ATOM 706 CB PHE A 48 -1.190 3.551 -2.769 1.00 0.00 C ATOM 707 CG PHE A 48 -1.842 3.645 -1.420 1.00 0.00 C ATOM 708 CD1 PHE A 48 -2.826 4.606 -1.170 1.00 0.00 C ATOM 709 CD2 PHE A 48 -1.460 2.752 -0.423 1.00 0.00 C ATOM 710 CE1 PHE A 48 -3.430 4.672 0.091 1.00 0.00 C ATOM 711 CE2 PHE A 48 -2.060 2.814 0.838 1.00 0.00 C ATOM 712 CZ PHE A 48 -3.047 3.775 1.096 1.00 0.00 C ATOM 0 H PHE A 48 -2.054 5.501 -4.318 1.00 0.00 H new ATOM 0 HA PHE A 48 0.112 5.221 -2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.945 3.366 -3.533 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.502 2.706 -2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.119 5.296 -1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.700 2.011 -0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.190 5.413 0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.763 2.122 1.612 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.512 3.824 2.070 1.00 0.00 H new ATOM 722 N GLU A 49 1.431 3.607 -4.013 1.00 0.00 N ATOM 723 CA GLU A 49 2.444 3.266 -5.046 1.00 0.00 C ATOM 724 C GLU A 49 2.951 1.838 -4.812 1.00 0.00 C ATOM 725 O GLU A 49 3.433 1.514 -3.744 1.00 0.00 O ATOM 726 CB GLU A 49 3.576 4.283 -4.858 1.00 0.00 C ATOM 727 CG GLU A 49 3.564 5.293 -6.010 1.00 0.00 C ATOM 728 CD GLU A 49 3.883 4.577 -7.324 1.00 0.00 C ATOM 729 OE1 GLU A 49 5.047 4.288 -7.551 1.00 0.00 O ATOM 730 OE2 GLU A 49 2.958 4.327 -8.079 1.00 0.00 O ATOM 0 H GLU A 49 1.464 3.027 -3.175 1.00 0.00 H new ATOM 0 HA GLU A 49 2.040 3.306 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.457 4.801 -3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.537 3.769 -4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.588 5.775 -6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.296 6.079 -5.825 1.00 0.00 H new ATOM 737 N LYS A 50 2.841 0.982 -5.800 1.00 0.00 N ATOM 738 CA LYS A 50 3.314 -0.431 -5.627 1.00 0.00 C ATOM 739 C LYS A 50 4.803 -0.452 -5.263 1.00 0.00 C ATOM 740 O LYS A 50 5.490 0.546 -5.373 1.00 0.00 O ATOM 741 CB LYS A 50 3.087 -1.114 -6.980 1.00 0.00 C ATOM 742 CG LYS A 50 1.587 -1.150 -7.312 1.00 0.00 C ATOM 743 CD LYS A 50 1.167 -2.580 -7.677 1.00 0.00 C ATOM 744 CE LYS A 50 1.905 -3.030 -8.941 1.00 0.00 C ATOM 745 NZ LYS A 50 0.954 -3.941 -9.637 1.00 0.00 N ATOM 0 H LYS A 50 2.446 1.198 -6.715 1.00 0.00 H new ATOM 0 HA LYS A 50 2.779 -0.940 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.627 -0.578 -7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.486 -2.128 -6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.008 -0.798 -6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.373 -0.476 -8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.392 -3.257 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.090 -2.622 -7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.168 -2.179 -9.569 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.834 -3.543 -8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.388 -4.292 -10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.727 -4.745 -9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.081 -3.423 -9.865 1.00 0.00 H new ATOM 759 N LEU A 51 5.301 -1.582 -4.830 1.00 0.00 N ATOM 760 CA LEU A 51 6.745 -1.677 -4.456 1.00 0.00 C ATOM 761 C LEU A 51 7.608 -1.867 -5.707 1.00 0.00 C ATOM 762 O LEU A 51 8.764 -1.492 -5.735 1.00 0.00 O ATOM 763 CB LEU A 51 6.841 -2.903 -3.546 1.00 0.00 C ATOM 764 CG LEU A 51 8.267 -3.029 -3.005 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.227 -3.589 -1.582 1.00 0.00 C ATOM 766 CD2 LEU A 51 9.070 -3.974 -3.903 1.00 0.00 C ATOM 0 H LEU A 51 4.769 -2.445 -4.719 1.00 0.00 H new ATOM 0 HA LEU A 51 7.101 -0.774 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.135 -2.812 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.570 -3.802 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 51 8.740 -2.047 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.243 -3.678 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.655 -2.917 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.755 -4.571 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.086 -4.065 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.597 -4.956 -3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.100 -3.575 -4.917 1.00 0.00 H new ATOM 778 N GLU A 52 7.053 -2.453 -6.740 1.00 0.00 N ATOM 779 CA GLU A 52 7.834 -2.679 -7.996 1.00 0.00 C ATOM 780 C GLU A 52 8.407 -1.358 -8.525 1.00 0.00 C ATOM 781 O GLU A 52 7.917 -0.290 -8.211 1.00 0.00 O ATOM 782 CB GLU A 52 6.837 -3.274 -8.998 1.00 0.00 C ATOM 783 CG GLU A 52 5.657 -2.317 -9.198 1.00 0.00 C ATOM 784 CD GLU A 52 4.929 -2.667 -10.497 1.00 0.00 C ATOM 785 OE1 GLU A 52 4.177 -3.627 -10.492 1.00 0.00 O ATOM 786 OE2 GLU A 52 5.136 -1.967 -11.475 1.00 0.00 O ATOM 0 H GLU A 52 6.089 -2.786 -6.767 1.00 0.00 H new ATOM 0 HA GLU A 52 8.682 -3.342 -7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.333 -3.457 -9.951 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.477 -4.237 -8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.971 -2.388 -8.354 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.013 -1.287 -9.234 1.00 0.00 H new ATOM 793 N ASP A 53 9.442 -1.428 -9.326 1.00 0.00 N ATOM 794 CA ASP A 53 10.060 -0.184 -9.880 1.00 0.00 C ATOM 795 C ASP A 53 9.016 0.653 -10.627 1.00 0.00 C ATOM 796 O ASP A 53 8.568 0.211 -11.672 1.00 0.00 O ATOM 797 CB ASP A 53 11.144 -0.666 -10.847 1.00 0.00 C ATOM 798 CG ASP A 53 12.292 -1.294 -10.055 1.00 0.00 C ATOM 799 OD1 ASP A 53 13.086 -0.547 -9.507 1.00 0.00 O ATOM 800 OD2 ASP A 53 12.358 -2.512 -10.010 1.00 0.00 O ATOM 801 OXT ASP A 53 8.684 1.722 -10.140 1.00 0.00 O ATOM 0 H ASP A 53 9.887 -2.297 -9.621 1.00 0.00 H new ATOM 0 HA ASP A 53 10.467 0.449 -9.091 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.728 -1.394 -11.543 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.513 0.169 -11.442 1.00 0.00 H new TER 806 ASP A 53