USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=8 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 -49:sc= 1.13 USER MOD Single : A 10 TYR OH : rot 112:sc= 0.279 USER MOD Single : A 12 TYR OH : rot 156:sc= -0.0421 USER MOD Single : A 21 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.062) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -81:sc= -2.07 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= -1.38 (180deg=-1.5) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.758 -8.670 -3.714 1.00 0.00 N ATOM 2 CA ALA A 1 3.569 -7.268 -4.186 1.00 0.00 C ATOM 3 C ALA A 1 2.981 -6.405 -3.066 1.00 0.00 C ATOM 4 O ALA A 1 1.965 -6.738 -2.484 1.00 0.00 O ATOM 5 CB ALA A 1 2.588 -7.374 -5.355 1.00 0.00 C ATOM 0 H1 ALA A 1 4.157 -9.244 -4.483 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.408 -8.678 -2.902 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.840 -9.066 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 1 4.509 -6.802 -4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.396 -6.380 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.016 -8.006 -6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.652 -7.811 -5.006 1.00 0.00 H new ATOM 13 N LYS A 2 3.614 -5.300 -2.765 1.00 0.00 N ATOM 14 CA LYS A 2 3.099 -4.405 -1.686 1.00 0.00 C ATOM 15 C LYS A 2 2.667 -3.061 -2.277 1.00 0.00 C ATOM 16 O LYS A 2 2.778 -2.832 -3.467 1.00 0.00 O ATOM 17 CB LYS A 2 4.276 -4.219 -0.728 1.00 0.00 C ATOM 18 CG LYS A 2 4.674 -5.572 -0.136 1.00 0.00 C ATOM 19 CD LYS A 2 6.188 -5.610 0.081 1.00 0.00 C ATOM 20 CE LYS A 2 6.677 -7.059 0.019 1.00 0.00 C ATOM 21 NZ LYS A 2 7.736 -7.153 1.062 1.00 0.00 N ATOM 0 H LYS A 2 4.468 -4.978 -3.221 1.00 0.00 H new ATOM 0 HA LYS A 2 2.228 -4.824 -1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.122 -3.779 -1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.003 -3.528 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.156 -5.733 0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.372 -6.377 -0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.690 -5.013 -0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.439 -5.172 1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.865 -7.758 0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.072 -7.300 -0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.121 -8.119 1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.499 -6.481 0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.329 -6.925 1.991 1.00 0.00 H new ATOM 35 N TRP A 3 2.174 -2.172 -1.451 1.00 0.00 N ATOM 36 CA TRP A 3 1.728 -0.837 -1.954 1.00 0.00 C ATOM 37 C TRP A 3 2.137 0.250 -0.964 1.00 0.00 C ATOM 38 O TRP A 3 1.535 0.400 0.078 1.00 0.00 O ATOM 39 CB TRP A 3 0.205 -0.933 -2.036 1.00 0.00 C ATOM 40 CG TRP A 3 -0.186 -1.554 -3.336 1.00 0.00 C ATOM 41 CD1 TRP A 3 -0.050 -2.860 -3.657 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.778 -0.907 -4.491 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.517 -3.053 -4.946 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.978 -1.873 -5.501 1.00 0.00 C ATOM 45 CE3 TRP A 3 -1.151 0.416 -4.749 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.534 -1.533 -6.736 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.712 0.769 -5.987 1.00 0.00 C ATOM 48 CH2 TRP A 3 -1.903 -0.206 -6.981 1.00 0.00 C ATOM 0 H TRP A 3 2.061 -2.314 -0.447 1.00 0.00 H new ATOM 0 HA TRP A 3 2.173 -0.585 -2.917 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -0.178 -1.528 -1.207 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.238 0.059 -1.947 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.356 -3.627 -3.014 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.521 -3.953 -5.426 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -1.007 1.171 -3.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.678 -2.288 -7.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -1.998 1.793 -6.176 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -2.334 0.069 -7.932 1.00 0.00 H new ATOM 59 N VAL A 4 3.160 1.002 -1.280 1.00 0.00 N ATOM 60 CA VAL A 4 3.627 2.070 -0.346 1.00 0.00 C ATOM 61 C VAL A 4 2.751 3.320 -0.450 1.00 0.00 C ATOM 62 O VAL A 4 2.083 3.557 -1.437 1.00 0.00 O ATOM 63 CB VAL A 4 5.066 2.379 -0.784 1.00 0.00 C ATOM 64 CG1 VAL A 4 5.630 3.548 0.035 1.00 0.00 C ATOM 65 CG2 VAL A 4 5.936 1.141 -0.568 1.00 0.00 C ATOM 0 H VAL A 4 3.693 0.922 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 4 3.572 1.748 0.694 1.00 0.00 H new ATOM 0 HB VAL A 4 5.066 2.653 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.651 3.757 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.012 4.433 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.628 3.285 1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.959 1.356 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.926 0.869 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.544 0.313 -1.159 1.00 0.00 H new ATOM 75 N LEU A 5 2.768 4.118 0.584 1.00 0.00 N ATOM 76 CA LEU A 5 1.965 5.365 0.606 1.00 0.00 C ATOM 77 C LEU A 5 2.898 6.572 0.762 1.00 0.00 C ATOM 78 O LEU A 5 3.537 6.743 1.782 1.00 0.00 O ATOM 79 CB LEU A 5 1.066 5.212 1.837 1.00 0.00 C ATOM 80 CG LEU A 5 -0.378 5.550 1.481 1.00 0.00 C ATOM 81 CD1 LEU A 5 -1.257 5.359 2.717 1.00 0.00 C ATOM 82 CD2 LEU A 5 -0.463 7.004 1.013 1.00 0.00 C ATOM 0 H LEU A 5 3.316 3.951 1.428 1.00 0.00 H new ATOM 0 HA LEU A 5 1.389 5.522 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.125 4.191 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.415 5.868 2.635 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.722 4.894 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.291 5.599 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.195 4.323 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.913 6.018 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.495 7.245 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.123 7.664 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.168 7.141 0.135 1.00 0.00 H new ATOM 94 N LYS A 6 2.984 7.404 -0.245 1.00 0.00 N ATOM 95 CA LYS A 6 3.882 8.605 -0.171 1.00 0.00 C ATOM 96 C LYS A 6 3.592 9.443 1.084 1.00 0.00 C ATOM 97 O LYS A 6 4.433 10.198 1.538 1.00 0.00 O ATOM 98 CB LYS A 6 3.572 9.415 -1.428 1.00 0.00 C ATOM 99 CG LYS A 6 4.351 8.840 -2.612 1.00 0.00 C ATOM 100 CD LYS A 6 5.799 9.333 -2.557 1.00 0.00 C ATOM 101 CE LYS A 6 6.491 9.030 -3.887 1.00 0.00 C ATOM 102 NZ LYS A 6 7.686 9.917 -3.908 1.00 0.00 N ATOM 0 H LYS A 6 2.470 7.306 -1.121 1.00 0.00 H new ATOM 0 HA LYS A 6 4.930 8.313 -0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.502 9.388 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.841 10.460 -1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.325 7.751 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.887 9.146 -3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.822 10.404 -2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.330 8.846 -1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.777 7.980 -3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.832 9.235 -4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.214 9.767 -4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.382 10.910 -3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.298 9.694 -3.097 1.00 0.00 H new ATOM 116 N ILE A 7 2.411 9.324 1.640 1.00 0.00 N ATOM 117 CA ILE A 7 2.068 10.122 2.860 1.00 0.00 C ATOM 118 C ILE A 7 3.048 9.814 4.003 1.00 0.00 C ATOM 119 O ILE A 7 3.630 10.714 4.581 1.00 0.00 O ATOM 120 CB ILE A 7 0.636 9.704 3.228 1.00 0.00 C ATOM 121 CG1 ILE A 7 -0.316 10.108 2.099 1.00 0.00 C ATOM 122 CG2 ILE A 7 0.200 10.402 4.522 1.00 0.00 C ATOM 123 CD1 ILE A 7 -1.710 9.543 2.378 1.00 0.00 C ATOM 0 H ILE A 7 1.670 8.710 1.303 1.00 0.00 H new ATOM 0 HA ILE A 7 2.138 11.195 2.680 1.00 0.00 H new ATOM 0 HB ILE A 7 0.608 8.624 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.362 11.194 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.055 9.734 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.816 10.099 4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.874 10.121 5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.232 11.482 4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.387 9.831 1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.657 8.456 2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.081 9.939 3.324 1.00 0.00 H new ATOM 135 N THR A 8 3.232 8.559 4.338 1.00 0.00 N ATOM 136 CA THR A 8 4.171 8.215 5.454 1.00 0.00 C ATOM 137 C THR A 8 4.825 6.846 5.233 1.00 0.00 C ATOM 138 O THR A 8 5.109 6.130 6.176 1.00 0.00 O ATOM 139 CB THR A 8 3.304 8.200 6.719 1.00 0.00 C ATOM 140 OG1 THR A 8 4.113 7.858 7.835 1.00 0.00 O ATOM 141 CG2 THR A 8 2.178 7.172 6.573 1.00 0.00 C ATOM 0 H THR A 8 2.777 7.763 3.891 1.00 0.00 H new ATOM 0 HA THR A 8 4.988 8.933 5.522 1.00 0.00 H new ATOM 0 HB THR A 8 2.866 9.187 6.866 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.641 7.060 7.624 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.568 7.169 7.477 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.556 7.433 5.716 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.607 6.181 6.422 1.00 0.00 H new ATOM 149 N GLY A 9 5.075 6.480 4.001 1.00 0.00 N ATOM 150 CA GLY A 9 5.722 5.164 3.723 1.00 0.00 C ATOM 151 C GLY A 9 4.817 4.010 4.175 1.00 0.00 C ATOM 152 O GLY A 9 5.260 2.883 4.292 1.00 0.00 O ATOM 0 H GLY A 9 4.858 7.038 3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.931 5.073 2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.679 5.107 4.241 1.00 0.00 H new ATOM 156 N TYR A 10 3.551 4.270 4.416 1.00 0.00 N ATOM 157 CA TYR A 10 2.625 3.170 4.842 1.00 0.00 C ATOM 158 C TYR A 10 2.579 2.102 3.736 1.00 0.00 C ATOM 159 O TYR A 10 2.680 2.417 2.565 1.00 0.00 O ATOM 160 CB TYR A 10 1.258 3.865 5.042 1.00 0.00 C ATOM 161 CG TYR A 10 0.125 2.858 5.060 1.00 0.00 C ATOM 162 CD1 TYR A 10 -0.389 2.371 3.852 1.00 0.00 C ATOM 163 CD2 TYR A 10 -0.410 2.417 6.276 1.00 0.00 C ATOM 164 CE1 TYR A 10 -1.434 1.444 3.857 1.00 0.00 C ATOM 165 CE2 TYR A 10 -1.457 1.488 6.282 1.00 0.00 C ATOM 166 CZ TYR A 10 -1.970 1.001 5.073 1.00 0.00 C ATOM 167 OH TYR A 10 -3.003 0.086 5.078 1.00 0.00 O ATOM 0 H TYR A 10 3.121 5.192 4.336 1.00 0.00 H new ATOM 0 HA TYR A 10 2.934 2.660 5.754 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.265 4.424 5.978 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.094 4.586 4.241 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.023 2.713 2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.015 2.793 7.208 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.828 1.069 2.924 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.870 1.146 7.220 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.684 -0.765 5.444 1.00 0.00 H new ATOM 177 N ILE A 11 2.436 0.848 4.097 1.00 0.00 N ATOM 178 CA ILE A 11 2.396 -0.221 3.053 1.00 0.00 C ATOM 179 C ILE A 11 1.218 -1.170 3.264 1.00 0.00 C ATOM 180 O ILE A 11 0.607 -1.221 4.313 1.00 0.00 O ATOM 181 CB ILE A 11 3.720 -0.986 3.189 1.00 0.00 C ATOM 182 CG1 ILE A 11 4.884 -0.010 2.955 1.00 0.00 C ATOM 183 CG2 ILE A 11 3.773 -2.133 2.158 1.00 0.00 C ATOM 184 CD1 ILE A 11 6.211 -0.765 2.980 1.00 0.00 C ATOM 0 H ILE A 11 2.346 0.523 5.060 1.00 0.00 H new ATOM 0 HA ILE A 11 2.270 0.213 2.061 1.00 0.00 H new ATOM 0 HB ILE A 11 3.798 -1.415 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.760 0.493 1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.881 0.763 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.715 -2.671 2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.943 -2.818 2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.698 -1.721 1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.031 -0.066 2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.337 -1.247 3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.214 -1.521 2.195 1.00 0.00 H new ATOM 196 N TYR A 12 0.940 -1.949 2.259 1.00 0.00 N ATOM 197 CA TYR A 12 -0.153 -2.953 2.339 1.00 0.00 C ATOM 198 C TYR A 12 0.384 -4.269 1.775 1.00 0.00 C ATOM 199 O TYR A 12 0.630 -4.385 0.587 1.00 0.00 O ATOM 200 CB TYR A 12 -1.301 -2.390 1.476 1.00 0.00 C ATOM 201 CG TYR A 12 -2.333 -3.469 1.172 1.00 0.00 C ATOM 202 CD1 TYR A 12 -3.304 -3.809 2.123 1.00 0.00 C ATOM 203 CD2 TYR A 12 -2.311 -4.127 -0.067 1.00 0.00 C ATOM 204 CE1 TYR A 12 -4.250 -4.803 1.832 1.00 0.00 C ATOM 205 CE2 TYR A 12 -3.258 -5.122 -0.354 1.00 0.00 C ATOM 206 CZ TYR A 12 -4.226 -5.457 0.597 1.00 0.00 C ATOM 207 OH TYR A 12 -5.159 -6.433 0.317 1.00 0.00 O ATOM 0 H TYR A 12 1.435 -1.931 1.367 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.507 -3.139 3.353 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.779 -1.560 1.996 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.899 -1.993 0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.324 -3.307 3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.563 -3.867 -0.802 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.999 -5.064 2.565 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.239 -5.628 -1.308 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.266 -6.515 -0.654 1.00 0.00 H new ATOM 217 N ASP A 13 0.569 -5.250 2.612 1.00 0.00 N ATOM 218 CA ASP A 13 1.095 -6.552 2.117 1.00 0.00 C ATOM 219 C ASP A 13 -0.045 -7.333 1.469 1.00 0.00 C ATOM 220 O ASP A 13 -0.718 -8.124 2.100 1.00 0.00 O ATOM 221 CB ASP A 13 1.615 -7.274 3.360 1.00 0.00 C ATOM 222 CG ASP A 13 2.267 -8.596 2.947 1.00 0.00 C ATOM 223 OD1 ASP A 13 3.200 -8.554 2.162 1.00 0.00 O ATOM 224 OD2 ASP A 13 1.821 -9.628 3.421 1.00 0.00 O ATOM 0 H ASP A 13 0.380 -5.208 3.613 1.00 0.00 H new ATOM 0 HA ASP A 13 1.881 -6.439 1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.338 -6.647 3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.796 -7.461 4.054 1.00 0.00 H new ATOM 229 N GLU A 14 -0.267 -7.094 0.199 1.00 0.00 N ATOM 230 CA GLU A 14 -1.369 -7.793 -0.532 1.00 0.00 C ATOM 231 C GLU A 14 -1.256 -9.316 -0.377 1.00 0.00 C ATOM 232 O GLU A 14 -2.230 -10.027 -0.524 1.00 0.00 O ATOM 233 CB GLU A 14 -1.206 -7.374 -1.998 1.00 0.00 C ATOM 234 CG GLU A 14 -2.401 -7.860 -2.815 1.00 0.00 C ATOM 235 CD GLU A 14 -1.916 -8.517 -4.112 1.00 0.00 C ATOM 236 OE1 GLU A 14 -1.296 -7.829 -4.905 1.00 0.00 O ATOM 237 OE2 GLU A 14 -2.175 -9.696 -4.287 1.00 0.00 O ATOM 0 H GLU A 14 0.273 -6.439 -0.366 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.350 -7.524 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.124 -6.289 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.284 -7.790 -2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.985 -8.573 -2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.059 -7.022 -3.046 1.00 0.00 H new ATOM 244 N ASP A 15 -0.086 -9.821 -0.054 1.00 0.00 N ATOM 245 CA ASP A 15 0.063 -11.298 0.142 1.00 0.00 C ATOM 246 C ASP A 15 -0.830 -11.735 1.307 1.00 0.00 C ATOM 247 O ASP A 15 -1.349 -12.835 1.334 1.00 0.00 O ATOM 248 CB ASP A 15 1.538 -11.518 0.483 1.00 0.00 C ATOM 249 CG ASP A 15 2.367 -11.522 -0.802 1.00 0.00 C ATOM 250 OD1 ASP A 15 2.325 -12.516 -1.508 1.00 0.00 O ATOM 251 OD2 ASP A 15 3.030 -10.530 -1.059 1.00 0.00 O ATOM 0 H ASP A 15 0.766 -9.277 0.081 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.227 -11.873 -0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.888 -10.731 1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.662 -12.463 1.011 1.00 0.00 H new ATOM 256 N ALA A 16 -1.019 -10.858 2.260 1.00 0.00 N ATOM 257 CA ALA A 16 -1.886 -11.173 3.429 1.00 0.00 C ATOM 258 C ALA A 16 -3.150 -10.319 3.364 1.00 0.00 C ATOM 259 O ALA A 16 -4.255 -10.810 3.488 1.00 0.00 O ATOM 260 CB ALA A 16 -1.057 -10.787 4.654 1.00 0.00 C ATOM 0 H ALA A 16 -0.603 -9.927 2.275 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.189 -12.220 3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.629 -10.990 5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.136 -11.370 4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.814 -9.725 4.609 1.00 0.00 H new ATOM 266 N GLY A 17 -2.982 -9.036 3.170 1.00 0.00 N ATOM 267 CA GLY A 17 -4.154 -8.124 3.095 1.00 0.00 C ATOM 268 C GLY A 17 -4.003 -7.011 4.131 1.00 0.00 C ATOM 269 O GLY A 17 -3.188 -6.121 3.986 1.00 0.00 O ATOM 0 H GLY A 17 -2.075 -8.582 3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.232 -7.696 2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.073 -8.681 3.276 1.00 0.00 H new ATOM 273 N ASP A 18 -4.789 -7.057 5.182 1.00 0.00 N ATOM 274 CA ASP A 18 -4.729 -6.013 6.262 1.00 0.00 C ATOM 275 C ASP A 18 -5.918 -6.209 7.217 1.00 0.00 C ATOM 276 O ASP A 18 -6.998 -5.720 6.954 1.00 0.00 O ATOM 277 CB ASP A 18 -4.844 -4.643 5.564 1.00 0.00 C ATOM 278 CG ASP A 18 -3.523 -3.877 5.698 1.00 0.00 C ATOM 279 OD1 ASP A 18 -2.488 -4.521 5.754 1.00 0.00 O ATOM 280 OD2 ASP A 18 -3.571 -2.659 5.742 1.00 0.00 O ATOM 0 H ASP A 18 -5.483 -7.787 5.341 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.804 -6.082 6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.089 -4.781 4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.656 -4.066 6.007 1.00 0.00 H new ATOM 285 N PRO A 19 -5.690 -6.916 8.298 1.00 0.00 N ATOM 286 CA PRO A 19 -6.779 -7.159 9.281 1.00 0.00 C ATOM 287 C PRO A 19 -7.218 -5.855 9.966 1.00 0.00 C ATOM 288 O PRO A 19 -8.236 -5.818 10.631 1.00 0.00 O ATOM 289 CB PRO A 19 -6.151 -8.131 10.280 1.00 0.00 C ATOM 290 CG PRO A 19 -4.680 -7.907 10.156 1.00 0.00 C ATOM 291 CD PRO A 19 -4.429 -7.547 8.715 1.00 0.00 C ATOM 0 HA PRO A 19 -7.683 -7.555 8.819 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.497 -7.934 11.295 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.415 -9.163 10.048 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.351 -7.108 10.820 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.125 -8.802 10.436 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.585 -6.865 8.612 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.202 -8.428 8.114 1.00 0.00 H new ATOM 299 N ASP A 20 -6.471 -4.785 9.804 1.00 0.00 N ATOM 300 CA ASP A 20 -6.865 -3.492 10.443 1.00 0.00 C ATOM 301 C ASP A 20 -8.086 -2.903 9.727 1.00 0.00 C ATOM 302 O ASP A 20 -8.977 -2.358 10.350 1.00 0.00 O ATOM 303 CB ASP A 20 -5.651 -2.574 10.279 1.00 0.00 C ATOM 304 CG ASP A 20 -5.430 -1.778 11.567 1.00 0.00 C ATOM 305 OD1 ASP A 20 -5.498 -2.375 12.629 1.00 0.00 O ATOM 306 OD2 ASP A 20 -5.197 -0.584 11.469 1.00 0.00 O ATOM 0 H ASP A 20 -5.610 -4.754 9.259 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.137 -3.617 11.491 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.765 -3.165 10.048 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.807 -1.894 9.442 1.00 0.00 H new ATOM 311 N ASN A 21 -8.131 -3.012 8.422 1.00 0.00 N ATOM 312 CA ASN A 21 -9.293 -2.465 7.655 1.00 0.00 C ATOM 313 C ASN A 21 -10.271 -3.588 7.302 1.00 0.00 C ATOM 314 O ASN A 21 -11.025 -3.485 6.354 1.00 0.00 O ATOM 315 CB ASN A 21 -8.683 -1.863 6.382 1.00 0.00 C ATOM 316 CG ASN A 21 -8.455 -0.364 6.586 1.00 0.00 C ATOM 317 OD1 ASN A 21 -8.897 0.443 5.792 1.00 0.00 O ATOM 318 ND2 ASN A 21 -7.780 0.045 7.625 1.00 0.00 N ATOM 0 H ASN A 21 -7.411 -3.458 7.853 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.853 -1.725 8.228 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.740 -2.357 6.149 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.347 -2.029 5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.623 1.042 7.771 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.409 -0.633 8.291 1.00 0.00 H new ATOM 325 N GLY A 22 -10.262 -4.671 8.052 1.00 0.00 N ATOM 326 CA GLY A 22 -11.188 -5.813 7.751 1.00 0.00 C ATOM 327 C GLY A 22 -10.986 -6.248 6.298 1.00 0.00 C ATOM 328 O GLY A 22 -11.927 -6.384 5.540 1.00 0.00 O ATOM 0 H GLY A 22 -9.653 -4.811 8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.989 -6.647 8.425 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.223 -5.512 7.913 1.00 0.00 H new ATOM 332 N ILE A 23 -9.753 -6.429 5.906 1.00 0.00 N ATOM 333 CA ILE A 23 -9.454 -6.816 4.496 1.00 0.00 C ATOM 334 C ILE A 23 -9.483 -8.332 4.318 1.00 0.00 C ATOM 335 O ILE A 23 -9.362 -9.090 5.263 1.00 0.00 O ATOM 336 CB ILE A 23 -8.045 -6.275 4.227 1.00 0.00 C ATOM 337 CG1 ILE A 23 -8.003 -4.761 4.506 1.00 0.00 C ATOM 338 CG2 ILE A 23 -7.661 -6.541 2.767 1.00 0.00 C ATOM 339 CD1 ILE A 23 -8.957 -4.014 3.569 1.00 0.00 C ATOM 0 H ILE A 23 -8.935 -6.325 6.506 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.195 -6.413 3.805 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.337 -6.779 4.885 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.278 -4.569 5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.987 -4.389 4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.659 -6.156 2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.679 -7.614 2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.372 -6.043 2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.913 -2.946 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.663 -4.191 2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.974 -4.373 3.724 1.00 0.00 H new ATOM 351 N SER A 24 -9.634 -8.768 3.098 1.00 0.00 N ATOM 352 CA SER A 24 -9.666 -10.230 2.806 1.00 0.00 C ATOM 353 C SER A 24 -8.233 -10.788 2.768 1.00 0.00 C ATOM 354 O SER A 24 -7.302 -10.054 2.503 1.00 0.00 O ATOM 355 CB SER A 24 -10.325 -10.341 1.429 1.00 0.00 C ATOM 356 OG SER A 24 -11.659 -10.809 1.583 1.00 0.00 O ATOM 0 H SER A 24 -9.738 -8.167 2.281 1.00 0.00 H new ATOM 0 HA SER A 24 -10.209 -10.796 3.563 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.323 -9.371 0.933 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.759 -11.024 0.796 1.00 0.00 H new ATOM 0 HG SER A 24 -12.085 -10.880 0.703 1.00 0.00 H new ATOM 362 N PRO A 25 -8.092 -12.070 3.030 1.00 0.00 N ATOM 363 CA PRO A 25 -6.745 -12.694 3.009 1.00 0.00 C ATOM 364 C PRO A 25 -6.239 -12.799 1.568 1.00 0.00 C ATOM 365 O PRO A 25 -6.710 -13.615 0.797 1.00 0.00 O ATOM 366 CB PRO A 25 -6.977 -14.077 3.610 1.00 0.00 C ATOM 367 CG PRO A 25 -8.421 -14.369 3.360 1.00 0.00 C ATOM 368 CD PRO A 25 -9.143 -13.048 3.362 1.00 0.00 C ATOM 0 HA PRO A 25 -5.995 -12.123 3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.336 -14.824 3.141 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.751 -14.087 4.676 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.552 -14.879 2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.820 -15.028 4.131 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.950 -13.032 2.629 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.591 -12.839 4.333 1.00 0.00 H new ATOM 376 N GLY A 26 -5.293 -11.972 1.197 1.00 0.00 N ATOM 377 CA GLY A 26 -4.767 -12.014 -0.198 1.00 0.00 C ATOM 378 C GLY A 26 -5.693 -11.193 -1.092 1.00 0.00 C ATOM 379 O GLY A 26 -6.411 -11.728 -1.916 1.00 0.00 O ATOM 0 H GLY A 26 -4.864 -11.271 1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.754 -11.613 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.714 -13.044 -0.552 1.00 0.00 H new ATOM 383 N THR A 27 -5.694 -9.898 -0.918 1.00 0.00 N ATOM 384 CA THR A 27 -6.584 -9.024 -1.734 1.00 0.00 C ATOM 385 C THR A 27 -5.749 -8.031 -2.553 1.00 0.00 C ATOM 386 O THR A 27 -4.961 -7.278 -2.014 1.00 0.00 O ATOM 387 CB THR A 27 -7.459 -8.305 -0.692 1.00 0.00 C ATOM 388 OG1 THR A 27 -8.423 -9.217 -0.189 1.00 0.00 O ATOM 389 CG2 THR A 27 -8.181 -7.103 -1.315 1.00 0.00 C ATOM 0 H THR A 27 -5.112 -9.406 -0.240 1.00 0.00 H new ATOM 0 HA THR A 27 -7.184 -9.577 -2.457 1.00 0.00 H new ATOM 0 HB THR A 27 -6.817 -7.945 0.112 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.173 -9.280 -0.817 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.792 -6.613 -0.557 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.446 -6.397 -1.701 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.819 -7.444 -2.131 1.00 0.00 H new ATOM 397 N LYS A 28 -5.937 -8.021 -3.845 1.00 0.00 N ATOM 398 CA LYS A 28 -5.180 -7.075 -4.711 1.00 0.00 C ATOM 399 C LYS A 28 -5.525 -5.628 -4.329 1.00 0.00 C ATOM 400 O LYS A 28 -6.643 -5.187 -4.512 1.00 0.00 O ATOM 401 CB LYS A 28 -5.641 -7.378 -6.142 1.00 0.00 C ATOM 402 CG LYS A 28 -4.569 -8.192 -6.871 1.00 0.00 C ATOM 403 CD LYS A 28 -4.684 -9.664 -6.468 1.00 0.00 C ATOM 404 CE LYS A 28 -3.560 -10.465 -7.130 1.00 0.00 C ATOM 405 NZ LYS A 28 -3.975 -11.889 -6.997 1.00 0.00 N ATOM 0 H LYS A 28 -6.587 -8.632 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.101 -7.189 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.580 -7.931 -6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.831 -6.448 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.689 -8.089 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.578 -7.812 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.624 -9.761 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.654 -10.060 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.439 -10.185 -8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.604 -10.285 -6.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.254 -12.502 -7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.076 -12.128 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.885 -12.032 -7.480 1.00 0.00 H new ATOM 419 N PHE A 29 -4.575 -4.888 -3.800 1.00 0.00 N ATOM 420 CA PHE A 29 -4.844 -3.458 -3.401 1.00 0.00 C ATOM 421 C PHE A 29 -5.533 -2.691 -4.534 1.00 0.00 C ATOM 422 O PHE A 29 -6.351 -1.823 -4.292 1.00 0.00 O ATOM 423 CB PHE A 29 -3.457 -2.875 -3.120 1.00 0.00 C ATOM 424 CG PHE A 29 -3.561 -1.429 -2.691 1.00 0.00 C ATOM 425 CD1 PHE A 29 -3.764 -0.428 -3.647 1.00 0.00 C ATOM 426 CD2 PHE A 29 -3.426 -1.090 -1.340 1.00 0.00 C ATOM 427 CE1 PHE A 29 -3.832 0.915 -3.253 1.00 0.00 C ATOM 428 CE2 PHE A 29 -3.500 0.252 -0.946 1.00 0.00 C ATOM 429 CZ PHE A 29 -3.702 1.253 -1.903 1.00 0.00 C ATOM 0 H PHE A 29 -3.623 -5.210 -3.626 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.510 -3.389 -2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.964 -3.456 -2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.838 -2.951 -4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.868 -0.691 -4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.265 -1.862 -0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.985 1.688 -3.992 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.401 0.515 0.097 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.757 2.288 -1.598 1.00 0.00 H new ATOM 439 N GLU A 30 -5.230 -3.019 -5.767 1.00 0.00 N ATOM 440 CA GLU A 30 -5.896 -2.316 -6.909 1.00 0.00 C ATOM 441 C GLU A 30 -7.419 -2.491 -6.805 1.00 0.00 C ATOM 442 O GLU A 30 -8.179 -1.713 -7.349 1.00 0.00 O ATOM 443 CB GLU A 30 -5.351 -2.975 -8.182 1.00 0.00 C ATOM 444 CG GLU A 30 -5.637 -4.479 -8.165 1.00 0.00 C ATOM 445 CD GLU A 30 -5.706 -5.003 -9.601 1.00 0.00 C ATOM 446 OE1 GLU A 30 -4.661 -5.321 -10.145 1.00 0.00 O ATOM 447 OE2 GLU A 30 -6.802 -5.077 -10.131 1.00 0.00 O ATOM 0 H GLU A 30 -4.556 -3.737 -6.031 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.694 -1.245 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.810 -2.520 -9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.277 -2.803 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.856 -5.002 -7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.577 -4.675 -7.650 1.00 0.00 H new ATOM 454 N GLU A 31 -7.865 -3.500 -6.088 1.00 0.00 N ATOM 455 CA GLU A 31 -9.328 -3.719 -5.925 1.00 0.00 C ATOM 456 C GLU A 31 -9.744 -3.396 -4.480 1.00 0.00 C ATOM 457 O GLU A 31 -10.229 -2.317 -4.201 1.00 0.00 O ATOM 458 CB GLU A 31 -9.555 -5.197 -6.246 1.00 0.00 C ATOM 459 CG GLU A 31 -9.443 -5.418 -7.756 1.00 0.00 C ATOM 460 CD GLU A 31 -9.557 -6.912 -8.063 1.00 0.00 C ATOM 461 OE1 GLU A 31 -10.481 -7.530 -7.562 1.00 0.00 O ATOM 462 OE2 GLU A 31 -8.719 -7.412 -8.795 1.00 0.00 O ATOM 0 H GLU A 31 -7.272 -4.178 -5.611 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.921 -3.078 -6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.821 -5.810 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.539 -5.509 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.229 -4.869 -8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.491 -5.033 -8.121 1.00 0.00 H new ATOM 469 N LEU A 32 -9.559 -4.320 -3.555 1.00 0.00 N ATOM 470 CA LEU A 32 -9.949 -4.069 -2.123 1.00 0.00 C ATOM 471 C LEU A 32 -11.426 -3.592 -2.061 1.00 0.00 C ATOM 472 O LEU A 32 -12.074 -3.505 -3.087 1.00 0.00 O ATOM 473 CB LEU A 32 -8.962 -2.989 -1.633 1.00 0.00 C ATOM 474 CG LEU A 32 -7.833 -3.611 -0.792 1.00 0.00 C ATOM 475 CD1 LEU A 32 -6.873 -2.506 -0.352 1.00 0.00 C ATOM 476 CD2 LEU A 32 -8.382 -4.312 0.457 1.00 0.00 C ATOM 0 H LEU A 32 -9.153 -5.239 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.894 -4.958 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.536 -2.466 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.496 -2.247 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.321 -4.352 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.070 -2.938 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.451 -2.020 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.413 -1.771 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.557 -4.739 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.914 -3.589 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.066 -5.106 0.158 1.00 0.00 H new ATOM 488 N PRO A 33 -11.935 -3.317 -0.876 1.00 0.00 N ATOM 489 CA PRO A 33 -13.341 -2.873 -0.761 1.00 0.00 C ATOM 490 C PRO A 33 -13.442 -1.375 -1.042 1.00 0.00 C ATOM 491 O PRO A 33 -12.477 -0.645 -0.913 1.00 0.00 O ATOM 492 CB PRO A 33 -13.700 -3.180 0.687 1.00 0.00 C ATOM 493 CG PRO A 33 -12.402 -3.175 1.433 1.00 0.00 C ATOM 494 CD PRO A 33 -11.285 -3.383 0.437 1.00 0.00 C ATOM 0 HA PRO A 33 -14.008 -3.365 -1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.385 -2.433 1.088 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.197 -4.146 0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.270 -2.230 1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.393 -3.964 2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.518 -2.615 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.795 -4.345 0.588 1.00 0.00 H new ATOM 502 N ASP A 34 -14.603 -0.915 -1.429 1.00 0.00 N ATOM 503 CA ASP A 34 -14.772 0.539 -1.725 1.00 0.00 C ATOM 504 C ASP A 34 -14.503 1.371 -0.471 1.00 0.00 C ATOM 505 O ASP A 34 -14.584 0.885 0.641 1.00 0.00 O ATOM 506 CB ASP A 34 -16.227 0.697 -2.171 1.00 0.00 C ATOM 507 CG ASP A 34 -16.449 -0.067 -3.476 1.00 0.00 C ATOM 508 OD1 ASP A 34 -15.758 0.227 -4.437 1.00 0.00 O ATOM 509 OD2 ASP A 34 -17.307 -0.934 -3.493 1.00 0.00 O ATOM 0 H ASP A 34 -15.441 -1.483 -1.553 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.076 0.882 -2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.898 0.320 -1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.463 1.752 -2.311 1.00 0.00 H new ATOM 514 N ASP A 35 -14.191 2.630 -0.648 1.00 0.00 N ATOM 515 CA ASP A 35 -13.918 3.536 0.515 1.00 0.00 C ATOM 516 C ASP A 35 -12.754 3.023 1.373 1.00 0.00 C ATOM 517 O ASP A 35 -12.573 3.469 2.491 1.00 0.00 O ATOM 518 CB ASP A 35 -15.213 3.569 1.336 1.00 0.00 C ATOM 519 CG ASP A 35 -15.327 4.913 2.058 1.00 0.00 C ATOM 520 OD1 ASP A 35 -14.994 5.918 1.453 1.00 0.00 O ATOM 521 OD2 ASP A 35 -15.745 4.914 3.205 1.00 0.00 O ATOM 0 H ASP A 35 -14.112 3.077 -1.561 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.628 4.528 0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.073 3.421 0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.218 2.754 2.060 1.00 0.00 H new ATOM 526 N TRP A 36 -11.951 2.108 0.870 1.00 0.00 N ATOM 527 CA TRP A 36 -10.798 1.607 1.685 1.00 0.00 C ATOM 528 C TRP A 36 -9.857 2.780 2.016 1.00 0.00 C ATOM 529 O TRP A 36 -9.407 3.488 1.139 1.00 0.00 O ATOM 530 CB TRP A 36 -10.091 0.559 0.805 1.00 0.00 C ATOM 531 CG TRP A 36 -8.848 0.074 1.492 1.00 0.00 C ATOM 532 CD1 TRP A 36 -8.748 -1.050 2.241 1.00 0.00 C ATOM 533 CD2 TRP A 36 -7.530 0.693 1.511 1.00 0.00 C ATOM 534 NE1 TRP A 36 -7.456 -1.153 2.723 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.667 -0.104 2.300 1.00 0.00 C ATOM 536 CE3 TRP A 36 -7.004 1.858 0.929 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -5.333 0.244 2.505 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -5.663 2.211 1.130 1.00 0.00 C ATOM 539 CH2 TRP A 36 -4.828 1.406 1.919 1.00 0.00 C ATOM 0 H TRP A 36 -12.044 1.693 -0.057 1.00 0.00 H new ATOM 0 HA TRP A 36 -11.114 1.170 2.632 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -10.761 -0.279 0.612 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -9.837 0.994 -0.162 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.547 -1.751 2.431 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.127 -1.912 3.319 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.638 2.487 0.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.695 -0.381 3.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.270 3.108 0.675 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.796 1.685 2.073 1.00 0.00 H new ATOM 550 N VAL A 37 -9.564 2.976 3.277 1.00 0.00 N ATOM 551 CA VAL A 37 -8.654 4.088 3.691 1.00 0.00 C ATOM 552 C VAL A 37 -8.024 3.725 5.044 1.00 0.00 C ATOM 553 O VAL A 37 -8.698 3.663 6.055 1.00 0.00 O ATOM 554 CB VAL A 37 -9.558 5.339 3.793 1.00 0.00 C ATOM 555 CG1 VAL A 37 -8.858 6.464 4.581 1.00 0.00 C ATOM 556 CG2 VAL A 37 -9.881 5.849 2.382 1.00 0.00 C ATOM 0 H VAL A 37 -9.920 2.407 4.045 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.837 4.267 2.992 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.472 5.059 4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.515 7.332 4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.630 6.115 5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.933 6.742 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.518 6.731 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.955 6.109 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.399 5.070 1.823 1.00 0.00 H new ATOM 566 N ALA A 38 -6.739 3.480 5.061 1.00 0.00 N ATOM 567 CA ALA A 38 -6.053 3.112 6.341 1.00 0.00 C ATOM 568 C ALA A 38 -6.295 4.186 7.420 1.00 0.00 C ATOM 569 O ALA A 38 -6.803 3.878 8.480 1.00 0.00 O ATOM 570 CB ALA A 38 -4.567 3.022 5.986 1.00 0.00 C ATOM 0 H ALA A 38 -6.132 3.518 4.242 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.431 2.175 6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.996 2.756 6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.421 2.261 5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.224 3.986 5.610 1.00 0.00 H new ATOM 576 N PRO A 39 -5.933 5.419 7.125 1.00 0.00 N ATOM 577 CA PRO A 39 -6.139 6.512 8.107 1.00 0.00 C ATOM 578 C PRO A 39 -7.625 6.877 8.188 1.00 0.00 C ATOM 579 O PRO A 39 -8.476 6.144 7.723 1.00 0.00 O ATOM 580 CB PRO A 39 -5.325 7.671 7.536 1.00 0.00 C ATOM 581 CG PRO A 39 -5.245 7.404 6.068 1.00 0.00 C ATOM 582 CD PRO A 39 -5.312 5.910 5.883 1.00 0.00 C ATOM 0 HA PRO A 39 -5.833 6.244 9.118 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.807 8.628 7.737 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.332 7.714 7.984 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.065 7.894 5.543 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.318 7.802 5.654 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.906 5.643 5.009 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.320 5.482 5.738 1.00 0.00 H new ATOM 590 N ILE A 40 -7.938 8.006 8.773 1.00 0.00 N ATOM 591 CA ILE A 40 -9.372 8.423 8.882 1.00 0.00 C ATOM 592 C ILE A 40 -9.927 8.741 7.490 1.00 0.00 C ATOM 593 O ILE A 40 -11.049 8.399 7.168 1.00 0.00 O ATOM 594 CB ILE A 40 -9.363 9.677 9.765 1.00 0.00 C ATOM 595 CG1 ILE A 40 -8.786 9.330 11.140 1.00 0.00 C ATOM 596 CG2 ILE A 40 -10.793 10.199 9.938 1.00 0.00 C ATOM 597 CD1 ILE A 40 -8.522 10.616 11.924 1.00 0.00 C ATOM 0 H ILE A 40 -7.265 8.656 9.179 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.002 7.641 9.307 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.750 10.444 9.291 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.482 8.694 11.688 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.861 8.765 11.026 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -10.782 11.090 10.566 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.210 10.448 8.962 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -11.406 9.431 10.409 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.111 10.368 12.903 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.810 11.235 11.378 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -9.456 11.163 12.051 1.00 0.00 H new ATOM 609 N THR A 41 -9.145 9.391 6.665 1.00 0.00 N ATOM 610 CA THR A 41 -9.617 9.736 5.288 1.00 0.00 C ATOM 611 C THR A 41 -8.453 10.272 4.446 1.00 0.00 C ATOM 612 O THR A 41 -7.722 11.148 4.873 1.00 0.00 O ATOM 613 CB THR A 41 -10.686 10.821 5.482 1.00 0.00 C ATOM 614 OG1 THR A 41 -11.167 11.236 4.212 1.00 0.00 O ATOM 615 CG2 THR A 41 -10.088 12.023 6.221 1.00 0.00 C ATOM 0 H THR A 41 -8.198 9.698 6.886 1.00 0.00 H new ATOM 0 HA THR A 41 -10.015 8.867 4.764 1.00 0.00 H new ATOM 0 HB THR A 41 -11.507 10.415 6.073 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.851 11.928 4.331 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.854 12.787 6.353 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.721 11.704 7.197 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.263 12.434 5.639 1.00 0.00 H new ATOM 623 N GLY A 42 -8.283 9.759 3.254 1.00 0.00 N ATOM 624 CA GLY A 42 -7.174 10.242 2.379 1.00 0.00 C ATOM 625 C GLY A 42 -6.245 9.078 2.020 1.00 0.00 C ATOM 626 O GLY A 42 -5.036 9.211 2.056 1.00 0.00 O ATOM 0 H GLY A 42 -8.865 9.026 2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.583 10.685 1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.611 11.023 2.889 1.00 0.00 H new ATOM 630 N ALA A 43 -6.799 7.945 1.668 1.00 0.00 N ATOM 631 CA ALA A 43 -5.945 6.775 1.297 1.00 0.00 C ATOM 632 C ALA A 43 -6.576 5.987 0.135 1.00 0.00 C ATOM 633 O ALA A 43 -6.725 4.783 0.221 1.00 0.00 O ATOM 634 CB ALA A 43 -5.882 5.916 2.559 1.00 0.00 C ATOM 0 H ALA A 43 -7.804 7.780 1.621 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.955 7.082 0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.271 5.034 2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.441 6.494 3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.889 5.606 2.839 1.00 0.00 H new ATOM 640 N PRO A 44 -6.926 6.683 -0.928 1.00 0.00 N ATOM 641 CA PRO A 44 -7.535 6.008 -2.104 1.00 0.00 C ATOM 642 C PRO A 44 -6.502 5.117 -2.806 1.00 0.00 C ATOM 643 O PRO A 44 -5.470 4.794 -2.247 1.00 0.00 O ATOM 644 CB PRO A 44 -7.969 7.167 -3.001 1.00 0.00 C ATOM 645 CG PRO A 44 -7.084 8.304 -2.609 1.00 0.00 C ATOM 646 CD PRO A 44 -6.797 8.133 -1.142 1.00 0.00 C ATOM 0 HA PRO A 44 -8.365 5.352 -1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.849 6.918 -4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.020 7.413 -2.849 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.161 8.295 -3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.572 9.260 -2.800 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.799 8.488 -0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.503 8.693 -0.528 1.00 0.00 H new ATOM 654 N LYS A 45 -6.778 4.712 -4.020 1.00 0.00 N ATOM 655 CA LYS A 45 -5.819 3.828 -4.762 1.00 0.00 C ATOM 656 C LYS A 45 -4.878 4.665 -5.631 1.00 0.00 C ATOM 657 O LYS A 45 -3.784 4.245 -5.959 1.00 0.00 O ATOM 658 CB LYS A 45 -6.692 2.919 -5.648 1.00 0.00 C ATOM 659 CG LYS A 45 -7.812 2.255 -4.827 1.00 0.00 C ATOM 660 CD LYS A 45 -7.217 1.523 -3.621 1.00 0.00 C ATOM 661 CE LYS A 45 -8.344 0.950 -2.758 1.00 0.00 C ATOM 662 NZ LYS A 45 -8.830 -0.244 -3.504 1.00 0.00 N ATOM 0 H LYS A 45 -7.626 4.954 -4.532 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.196 3.252 -4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.128 3.505 -6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.071 2.151 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.523 3.010 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.365 1.553 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.560 0.721 -3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.607 2.208 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.982 0.676 -1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.142 1.679 -2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.469 -0.796 -2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.341 0.063 -4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.020 -0.834 -3.781 1.00 0.00 H new ATOM 676 N SER A 46 -5.301 5.841 -6.012 1.00 0.00 N ATOM 677 CA SER A 46 -4.441 6.714 -6.872 1.00 0.00 C ATOM 678 C SER A 46 -3.373 7.453 -6.046 1.00 0.00 C ATOM 679 O SER A 46 -2.646 8.274 -6.574 1.00 0.00 O ATOM 680 CB SER A 46 -5.408 7.714 -7.506 1.00 0.00 C ATOM 681 OG SER A 46 -5.987 7.135 -8.668 1.00 0.00 O ATOM 0 H SER A 46 -6.208 6.238 -5.765 1.00 0.00 H new ATOM 0 HA SER A 46 -3.896 6.128 -7.612 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.187 7.985 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.881 8.632 -7.767 1.00 0.00 H new ATOM 0 HG SER A 46 -6.609 7.773 -9.076 1.00 0.00 H new ATOM 687 N GLU A 47 -3.270 7.181 -4.765 1.00 0.00 N ATOM 688 CA GLU A 47 -2.248 7.884 -3.929 1.00 0.00 C ATOM 689 C GLU A 47 -1.233 6.890 -3.345 1.00 0.00 C ATOM 690 O GLU A 47 -0.540 7.196 -2.392 1.00 0.00 O ATOM 691 CB GLU A 47 -3.051 8.545 -2.810 1.00 0.00 C ATOM 692 CG GLU A 47 -2.216 9.644 -2.151 1.00 0.00 C ATOM 693 CD GLU A 47 -2.133 10.855 -3.083 1.00 0.00 C ATOM 694 OE1 GLU A 47 -1.260 10.862 -3.935 1.00 0.00 O ATOM 695 OE2 GLU A 47 -2.944 11.753 -2.927 1.00 0.00 O ATOM 0 H GLU A 47 -3.848 6.505 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.672 8.603 -4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.972 8.967 -3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.339 7.800 -2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.664 9.934 -1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.215 9.272 -1.932 1.00 0.00 H new ATOM 702 N PHE A 48 -1.135 5.705 -3.903 1.00 0.00 N ATOM 703 CA PHE A 48 -0.159 4.706 -3.369 1.00 0.00 C ATOM 704 C PHE A 48 0.899 4.371 -4.425 1.00 0.00 C ATOM 705 O PHE A 48 0.730 4.647 -5.597 1.00 0.00 O ATOM 706 CB PHE A 48 -0.979 3.452 -3.053 1.00 0.00 C ATOM 707 CG PHE A 48 -1.646 3.583 -1.713 1.00 0.00 C ATOM 708 CD1 PHE A 48 -2.571 4.604 -1.478 1.00 0.00 C ATOM 709 CD2 PHE A 48 -1.347 2.662 -0.709 1.00 0.00 C ATOM 710 CE1 PHE A 48 -3.200 4.703 -0.231 1.00 0.00 C ATOM 711 CE2 PHE A 48 -1.971 2.760 0.536 1.00 0.00 C ATOM 712 CZ PHE A 48 -2.899 3.780 0.777 1.00 0.00 C ATOM 0 H PHE A 48 -1.687 5.390 -4.701 1.00 0.00 H new ATOM 0 HA PHE A 48 0.361 5.092 -2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.731 3.298 -3.827 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.331 2.576 -3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.800 5.316 -2.257 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.633 1.873 -0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.916 5.490 -0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.738 2.048 1.314 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.382 3.855 1.740 1.00 0.00 H new ATOM 722 N GLU A 49 1.980 3.758 -4.013 1.00 0.00 N ATOM 723 CA GLU A 49 3.046 3.374 -4.970 1.00 0.00 C ATOM 724 C GLU A 49 3.374 1.891 -4.786 1.00 0.00 C ATOM 725 O GLU A 49 3.803 1.475 -3.728 1.00 0.00 O ATOM 726 CB GLU A 49 4.249 4.247 -4.612 1.00 0.00 C ATOM 727 CG GLU A 49 5.164 4.379 -5.830 1.00 0.00 C ATOM 728 CD GLU A 49 4.710 5.562 -6.687 1.00 0.00 C ATOM 729 OE1 GLU A 49 4.455 6.613 -6.123 1.00 0.00 O ATOM 730 OE2 GLU A 49 4.623 5.396 -7.893 1.00 0.00 O ATOM 0 H GLU A 49 2.166 3.507 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 49 2.752 3.519 -6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.913 5.232 -4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.796 3.806 -3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.195 4.524 -5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.139 3.461 -6.417 1.00 0.00 H new ATOM 737 N LYS A 50 3.166 1.088 -5.801 1.00 0.00 N ATOM 738 CA LYS A 50 3.455 -0.377 -5.671 1.00 0.00 C ATOM 739 C LYS A 50 4.914 -0.603 -5.268 1.00 0.00 C ATOM 740 O LYS A 50 5.641 0.331 -4.985 1.00 0.00 O ATOM 741 CB LYS A 50 3.195 -0.976 -7.055 1.00 0.00 C ATOM 742 CG LYS A 50 1.727 -0.794 -7.440 1.00 0.00 C ATOM 743 CD LYS A 50 1.485 -1.426 -8.812 1.00 0.00 C ATOM 744 CE LYS A 50 0.983 -2.861 -8.635 1.00 0.00 C ATOM 745 NZ LYS A 50 0.472 -3.256 -9.978 1.00 0.00 N ATOM 0 H LYS A 50 2.810 1.381 -6.711 1.00 0.00 H new ATOM 0 HA LYS A 50 2.833 -0.839 -4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.835 -0.494 -7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.450 -2.036 -7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.083 -1.258 -6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.474 0.266 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.754 -0.840 -9.369 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.407 -1.422 -9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.785 -3.523 -8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.197 -2.915 -7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.110 -4.230 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.294 -2.612 -10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.244 -3.202 -10.673 1.00 0.00 H new ATOM 759 N LEU A 51 5.341 -1.838 -5.245 1.00 0.00 N ATOM 760 CA LEU A 51 6.753 -2.141 -4.869 1.00 0.00 C ATOM 761 C LEU A 51 7.489 -2.743 -6.067 1.00 0.00 C ATOM 762 O LEU A 51 8.363 -3.576 -5.921 1.00 0.00 O ATOM 763 CB LEU A 51 6.653 -3.156 -3.722 1.00 0.00 C ATOM 764 CG LEU A 51 7.746 -2.892 -2.675 1.00 0.00 C ATOM 765 CD1 LEU A 51 9.128 -3.001 -3.326 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.569 -1.490 -2.081 1.00 0.00 C ATOM 0 H LEU A 51 4.770 -2.653 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 51 7.307 -1.251 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.670 -3.091 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.753 -4.168 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 51 7.663 -3.634 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.898 -2.813 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.259 -4.002 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.212 -2.266 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.347 -1.308 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.644 -0.747 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.591 -1.417 -1.606 1.00 0.00 H new ATOM 778 N GLU A 52 7.129 -2.324 -7.252 1.00 0.00 N ATOM 779 CA GLU A 52 7.786 -2.858 -8.480 1.00 0.00 C ATOM 780 C GLU A 52 9.295 -2.587 -8.447 1.00 0.00 C ATOM 781 O GLU A 52 9.824 -2.085 -7.474 1.00 0.00 O ATOM 782 CB GLU A 52 7.130 -2.118 -9.654 1.00 0.00 C ATOM 783 CG GLU A 52 7.300 -0.603 -9.484 1.00 0.00 C ATOM 784 CD GLU A 52 7.437 0.052 -10.859 1.00 0.00 C ATOM 785 OE1 GLU A 52 8.372 -0.287 -11.565 1.00 0.00 O ATOM 786 OE2 GLU A 52 6.604 0.883 -11.184 1.00 0.00 O ATOM 0 H GLU A 52 6.402 -1.629 -7.422 1.00 0.00 H new ATOM 0 HA GLU A 52 7.663 -3.938 -8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.580 -2.439 -10.593 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.071 -2.369 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.442 -0.187 -8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.181 -0.391 -8.879 1.00 0.00 H new ATOM 793 N ASP A 53 9.990 -2.919 -9.510 1.00 0.00 N ATOM 794 CA ASP A 53 11.473 -2.690 -9.565 1.00 0.00 C ATOM 795 C ASP A 53 12.167 -3.321 -8.351 1.00 0.00 C ATOM 796 O ASP A 53 11.546 -4.142 -7.698 1.00 0.00 O ATOM 797 CB ASP A 53 11.652 -1.170 -9.555 1.00 0.00 C ATOM 798 CG ASP A 53 12.924 -0.804 -10.324 1.00 0.00 C ATOM 799 OD1 ASP A 53 13.023 -1.183 -11.479 1.00 0.00 O ATOM 800 OD2 ASP A 53 13.776 -0.152 -9.745 1.00 0.00 O ATOM 801 OXT ASP A 53 13.308 -2.970 -8.099 1.00 0.00 O ATOM 0 H ASP A 53 9.592 -3.342 -10.348 1.00 0.00 H new ATOM 0 HA ASP A 53 11.917 -3.145 -10.450 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.787 -0.688 -10.010 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.716 -0.807 -8.529 1.00 0.00 H new TER 806 ASP A 53