USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=7 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 Set 1.1: A 24 SER OG : rot -96:sc= 0.554 USER MOD Set 1.2: A 27 THR OG1 : rot 115:sc= 0.0376 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 -54:sc= 1.1 USER MOD Single : A 10 TYR OH : rot -139:sc= 0.801 USER MOD Single : A 12 TYR OH : rot -140:sc= -0.0381 USER MOD Single : A 21 ASN : amide:sc= -0.0631 X(o=-0.063,f=-0.41) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00972 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 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.015 -8.047 -2.622 1.00 0.00 N ATOM 2 CA ALA A 1 3.768 -7.514 -3.244 1.00 0.00 C ATOM 3 C ALA A 1 3.050 -6.577 -2.269 1.00 0.00 C ATOM 4 O ALA A 1 2.080 -6.951 -1.635 1.00 0.00 O ATOM 5 CB ALA A 1 2.913 -8.748 -3.534 1.00 0.00 C ATOM 0 H1 ALA A 1 5.494 -8.681 -3.293 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.647 -7.257 -2.381 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.774 -8.574 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 1 3.969 -6.937 -4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.974 -8.440 -3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.450 -9.411 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.705 -9.274 -2.602 1.00 0.00 H new ATOM 13 N LYS A 2 3.521 -5.362 -2.148 1.00 0.00 N ATOM 14 CA LYS A 2 2.872 -4.394 -1.216 1.00 0.00 C ATOM 15 C LYS A 2 2.588 -3.073 -1.936 1.00 0.00 C ATOM 16 O LYS A 2 2.862 -2.926 -3.112 1.00 0.00 O ATOM 17 CB LYS A 2 3.883 -4.186 -0.089 1.00 0.00 C ATOM 18 CG LYS A 2 3.552 -5.121 1.076 1.00 0.00 C ATOM 19 CD LYS A 2 4.835 -5.459 1.839 1.00 0.00 C ATOM 20 CE LYS A 2 4.512 -6.432 2.975 1.00 0.00 C ATOM 21 NZ LYS A 2 4.603 -7.785 2.360 1.00 0.00 N ATOM 0 H LYS A 2 4.328 -4.999 -2.655 1.00 0.00 H new ATOM 0 HA LYS A 2 1.917 -4.761 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.892 -4.383 -0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.861 -3.149 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.833 -4.647 1.744 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.087 -6.033 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.567 -5.902 1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.282 -4.550 2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.217 -6.325 3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.517 -6.249 3.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.394 -8.508 3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.916 -7.860 1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.563 -7.934 1.989 1.00 0.00 H new ATOM 35 N TRP A 3 2.038 -2.113 -1.237 1.00 0.00 N ATOM 36 CA TRP A 3 1.729 -0.795 -1.870 1.00 0.00 C ATOM 37 C TRP A 3 2.116 0.331 -0.915 1.00 0.00 C ATOM 38 O TRP A 3 1.474 0.542 0.096 1.00 0.00 O ATOM 39 CB TRP A 3 0.217 -0.803 -2.104 1.00 0.00 C ATOM 40 CG TRP A 3 -0.092 -1.482 -3.399 1.00 0.00 C ATOM 41 CD1 TRP A 3 0.045 -2.806 -3.648 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.596 -0.887 -4.620 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.331 -3.054 -4.957 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.737 -1.898 -5.598 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.937 0.426 -4.966 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.203 -1.612 -6.881 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.407 0.723 -6.255 1.00 0.00 C ATOM 48 CH2 TRP A 3 -1.540 -0.295 -7.213 1.00 0.00 C ATOM 0 H TRP A 3 1.789 -2.186 -0.251 1.00 0.00 H new ATOM 0 HA TRP A 3 2.277 -0.640 -2.800 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -0.284 -1.318 -1.284 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.163 0.218 -2.119 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.391 -3.546 -2.942 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.311 -3.975 -5.394 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.838 1.216 -4.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.303 -2.400 -7.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -1.668 1.739 -6.511 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -1.902 -0.062 -8.204 1.00 0.00 H new ATOM 59 N VAL A 4 3.168 1.044 -1.221 1.00 0.00 N ATOM 60 CA VAL A 4 3.614 2.145 -0.316 1.00 0.00 C ATOM 61 C VAL A 4 2.879 3.451 -0.625 1.00 0.00 C ATOM 62 O VAL A 4 2.520 3.732 -1.752 1.00 0.00 O ATOM 63 CB VAL A 4 5.123 2.292 -0.562 1.00 0.00 C ATOM 64 CG1 VAL A 4 5.389 2.640 -2.031 1.00 0.00 C ATOM 65 CG2 VAL A 4 5.687 3.404 0.331 1.00 0.00 C ATOM 0 H VAL A 4 3.737 0.912 -2.057 1.00 0.00 H new ATOM 0 HA VAL A 4 3.395 1.917 0.727 1.00 0.00 H new ATOM 0 HB VAL A 4 5.610 1.346 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.462 2.741 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.000 1.847 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.895 3.580 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.758 3.505 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.190 4.346 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.515 3.153 1.378 1.00 0.00 H new ATOM 75 N LEU A 5 2.669 4.248 0.387 1.00 0.00 N ATOM 76 CA LEU A 5 1.976 5.547 0.204 1.00 0.00 C ATOM 77 C LEU A 5 2.995 6.684 0.335 1.00 0.00 C ATOM 78 O LEU A 5 3.627 6.846 1.362 1.00 0.00 O ATOM 79 CB LEU A 5 0.950 5.601 1.343 1.00 0.00 C ATOM 80 CG LEU A 5 -0.411 6.080 0.826 1.00 0.00 C ATOM 81 CD1 LEU A 5 -1.365 6.237 2.010 1.00 0.00 C ATOM 82 CD2 LEU A 5 -0.262 7.433 0.122 1.00 0.00 C ATOM 0 H LEU A 5 2.954 4.047 1.346 1.00 0.00 H new ATOM 0 HA LEU A 5 1.501 5.648 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.846 4.613 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.304 6.272 2.126 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.803 5.350 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.336 6.578 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.480 5.277 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.960 6.968 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.235 7.763 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.132 8.167 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.424 7.332 -0.719 1.00 0.00 H new ATOM 94 N LYS A 6 3.167 7.465 -0.701 1.00 0.00 N ATOM 95 CA LYS A 6 4.158 8.592 -0.653 1.00 0.00 C ATOM 96 C LYS A 6 3.913 9.500 0.563 1.00 0.00 C ATOM 97 O LYS A 6 4.800 10.210 0.999 1.00 0.00 O ATOM 98 CB LYS A 6 3.937 9.373 -1.951 1.00 0.00 C ATOM 99 CG LYS A 6 4.285 8.486 -3.150 1.00 0.00 C ATOM 100 CD LYS A 6 5.728 8.751 -3.585 1.00 0.00 C ATOM 101 CE LYS A 6 6.158 7.693 -4.603 1.00 0.00 C ATOM 102 NZ LYS A 6 7.638 7.832 -4.701 1.00 0.00 N ATOM 0 H LYS A 6 2.663 7.373 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 6 5.179 8.221 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.900 9.701 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.556 10.270 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.162 7.436 -2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.603 8.689 -3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.810 9.746 -4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.390 8.728 -2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.876 6.692 -4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.681 7.858 -5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.008 7.138 -5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.876 8.792 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.065 7.663 -3.768 1.00 0.00 H new ATOM 116 N ILE A 7 2.720 9.490 1.107 1.00 0.00 N ATOM 117 CA ILE A 7 2.423 10.361 2.289 1.00 0.00 C ATOM 118 C ILE A 7 3.288 9.960 3.495 1.00 0.00 C ATOM 119 O ILE A 7 4.146 10.711 3.919 1.00 0.00 O ATOM 120 CB ILE A 7 0.932 10.149 2.588 1.00 0.00 C ATOM 121 CG1 ILE A 7 0.103 10.603 1.383 1.00 0.00 C ATOM 122 CG2 ILE A 7 0.522 10.972 3.815 1.00 0.00 C ATOM 123 CD1 ILE A 7 -1.366 10.242 1.607 1.00 0.00 C ATOM 0 H ILE A 7 1.940 8.917 0.785 1.00 0.00 H new ATOM 0 HA ILE A 7 2.647 11.408 2.086 1.00 0.00 H new ATOM 0 HB ILE A 7 0.755 9.092 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.206 11.679 1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.471 10.126 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.537 10.816 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.109 10.657 4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.702 12.029 3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.955 10.566 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.461 9.163 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.730 10.740 2.506 1.00 0.00 H new ATOM 135 N THR A 8 3.058 8.798 4.062 1.00 0.00 N ATOM 136 CA THR A 8 3.862 8.376 5.256 1.00 0.00 C ATOM 137 C THR A 8 4.414 6.952 5.095 1.00 0.00 C ATOM 138 O THR A 8 4.483 6.200 6.049 1.00 0.00 O ATOM 139 CB THR A 8 2.886 8.441 6.438 1.00 0.00 C ATOM 140 OG1 THR A 8 3.555 8.027 7.621 1.00 0.00 O ATOM 141 CG2 THR A 8 1.687 7.523 6.182 1.00 0.00 C ATOM 0 H THR A 8 2.354 8.128 3.753 1.00 0.00 H new ATOM 0 HA THR A 8 4.730 9.021 5.395 1.00 0.00 H new ATOM 0 HB THR A 8 2.530 9.465 6.553 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.957 7.145 7.478 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.001 7.577 7.027 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.172 7.841 5.276 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.034 6.497 6.061 1.00 0.00 H new ATOM 149 N GLY A 9 4.817 6.580 3.905 1.00 0.00 N ATOM 150 CA GLY A 9 5.378 5.208 3.688 1.00 0.00 C ATOM 151 C GLY A 9 4.373 4.135 4.132 1.00 0.00 C ATOM 152 O GLY A 9 4.743 3.008 4.403 1.00 0.00 O ATOM 0 H GLY A 9 4.782 7.168 3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.622 5.072 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.307 5.097 4.247 1.00 0.00 H new ATOM 156 N TYR A 10 3.108 4.471 4.197 1.00 0.00 N ATOM 157 CA TYR A 10 2.076 3.465 4.610 1.00 0.00 C ATOM 158 C TYR A 10 2.079 2.301 3.600 1.00 0.00 C ATOM 159 O TYR A 10 2.057 2.513 2.402 1.00 0.00 O ATOM 160 CB TYR A 10 0.755 4.259 4.602 1.00 0.00 C ATOM 161 CG TYR A 10 -0.447 3.343 4.630 1.00 0.00 C ATOM 162 CD1 TYR A 10 -0.874 2.775 5.835 1.00 0.00 C ATOM 163 CD2 TYR A 10 -1.138 3.077 3.446 1.00 0.00 C ATOM 164 CE1 TYR A 10 -1.996 1.940 5.854 1.00 0.00 C ATOM 165 CE2 TYR A 10 -2.258 2.243 3.460 1.00 0.00 C ATOM 166 CZ TYR A 10 -2.689 1.674 4.667 1.00 0.00 C ATOM 167 OH TYR A 10 -3.797 0.851 4.688 1.00 0.00 O ATOM 0 H TYR A 10 2.744 5.399 3.982 1.00 0.00 H new ATOM 0 HA TYR A 10 2.250 3.015 5.587 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.725 4.925 5.464 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.713 4.887 3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.338 2.981 6.750 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.806 3.517 2.518 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.327 1.501 6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.791 2.037 2.544 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.784 0.265 3.903 1.00 0.00 H new ATOM 177 N ILE A 11 2.138 1.079 4.078 1.00 0.00 N ATOM 178 CA ILE A 11 2.180 -0.094 3.144 1.00 0.00 C ATOM 179 C ILE A 11 0.933 -0.974 3.282 1.00 0.00 C ATOM 180 O ILE A 11 0.206 -0.913 4.254 1.00 0.00 O ATOM 181 CB ILE A 11 3.411 -0.913 3.566 1.00 0.00 C ATOM 182 CG1 ILE A 11 4.673 -0.032 3.576 1.00 0.00 C ATOM 183 CG2 ILE A 11 3.613 -2.088 2.601 1.00 0.00 C ATOM 184 CD1 ILE A 11 4.937 0.541 2.179 1.00 0.00 C ATOM 0 H ILE A 11 2.159 0.844 5.070 1.00 0.00 H new ATOM 0 HA ILE A 11 2.223 0.246 2.109 1.00 0.00 H new ATOM 0 HB ILE A 11 3.241 -1.294 4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.551 0.781 4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.531 -0.619 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.487 -2.664 2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.732 -2.729 2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.764 -1.707 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.833 1.162 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.081 -0.276 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.085 1.145 1.867 1.00 0.00 H new ATOM 196 N TYR A 12 0.729 -1.826 2.316 1.00 0.00 N ATOM 197 CA TYR A 12 -0.412 -2.780 2.348 1.00 0.00 C ATOM 198 C TYR A 12 0.136 -4.158 1.975 1.00 0.00 C ATOM 199 O TYR A 12 0.559 -4.376 0.856 1.00 0.00 O ATOM 200 CB TYR A 12 -1.414 -2.276 1.293 1.00 0.00 C ATOM 201 CG TYR A 12 -2.464 -3.340 0.992 1.00 0.00 C ATOM 202 CD1 TYR A 12 -3.329 -3.781 2.002 1.00 0.00 C ATOM 203 CD2 TYR A 12 -2.563 -3.883 -0.298 1.00 0.00 C ATOM 204 CE1 TYR A 12 -4.292 -4.760 1.720 1.00 0.00 C ATOM 205 CE2 TYR A 12 -3.528 -4.862 -0.577 1.00 0.00 C ATOM 206 CZ TYR A 12 -4.391 -5.298 0.434 1.00 0.00 C ATOM 207 OH TYR A 12 -5.340 -6.260 0.164 1.00 0.00 O ATOM 0 H TYR A 12 1.320 -1.901 1.488 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.898 -2.849 3.321 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.901 -1.369 1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.884 -2.013 0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.254 -3.367 2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.895 -3.547 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.959 -5.099 2.499 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.605 -5.278 -1.571 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.955 -6.943 -0.424 1.00 0.00 H new ATOM 217 N ASP A 13 0.134 -5.078 2.896 1.00 0.00 N ATOM 218 CA ASP A 13 0.662 -6.435 2.585 1.00 0.00 C ATOM 219 C ASP A 13 -0.404 -7.220 1.818 1.00 0.00 C ATOM 220 O ASP A 13 -1.088 -8.067 2.357 1.00 0.00 O ATOM 221 CB ASP A 13 0.976 -7.067 3.944 1.00 0.00 C ATOM 222 CG ASP A 13 -0.293 -7.139 4.802 1.00 0.00 C ATOM 223 OD1 ASP A 13 -0.872 -6.095 5.058 1.00 0.00 O ATOM 224 OD2 ASP A 13 -0.664 -8.235 5.187 1.00 0.00 O ATOM 0 H ASP A 13 -0.209 -4.951 3.848 1.00 0.00 H new ATOM 0 HA ASP A 13 1.554 -6.420 1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.385 -8.067 3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.738 -6.481 4.458 1.00 0.00 H new ATOM 229 N GLU A 14 -0.547 -6.919 0.550 1.00 0.00 N ATOM 230 CA GLU A 14 -1.571 -7.609 -0.298 1.00 0.00 C ATOM 231 C GLU A 14 -1.440 -9.135 -0.195 1.00 0.00 C ATOM 232 O GLU A 14 -2.390 -9.858 -0.435 1.00 0.00 O ATOM 233 CB GLU A 14 -1.292 -7.127 -1.730 1.00 0.00 C ATOM 234 CG GLU A 14 -2.350 -7.679 -2.683 1.00 0.00 C ATOM 235 CD GLU A 14 -1.676 -8.287 -3.916 1.00 0.00 C ATOM 236 OE1 GLU A 14 -0.879 -7.597 -4.532 1.00 0.00 O ATOM 237 OE2 GLU A 14 -1.968 -9.431 -4.223 1.00 0.00 O ATOM 0 H GLU A 14 0.008 -6.217 0.061 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.586 -7.374 0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.294 -6.037 -1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.301 -7.453 -2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.950 -8.435 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.030 -6.883 -2.985 1.00 0.00 H new ATOM 244 N ASP A 15 -0.284 -9.631 0.179 1.00 0.00 N ATOM 245 CA ASP A 15 -0.116 -11.109 0.319 1.00 0.00 C ATOM 246 C ASP A 15 -1.040 -11.612 1.432 1.00 0.00 C ATOM 247 O ASP A 15 -1.529 -12.724 1.398 1.00 0.00 O ATOM 248 CB ASP A 15 1.352 -11.319 0.699 1.00 0.00 C ATOM 249 CG ASP A 15 1.870 -12.602 0.045 1.00 0.00 C ATOM 250 OD1 ASP A 15 1.119 -13.562 -0.009 1.00 0.00 O ATOM 251 OD2 ASP A 15 3.009 -12.602 -0.391 1.00 0.00 O ATOM 0 H ASP A 15 0.546 -9.077 0.392 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.368 -11.651 -0.593 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.948 -10.466 0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.453 -11.384 1.782 1.00 0.00 H new ATOM 256 N ALA A 16 -1.282 -10.781 2.414 1.00 0.00 N ATOM 257 CA ALA A 16 -2.179 -11.172 3.541 1.00 0.00 C ATOM 258 C ALA A 16 -3.456 -10.331 3.502 1.00 0.00 C ATOM 259 O ALA A 16 -4.513 -10.771 3.908 1.00 0.00 O ATOM 260 CB ALA A 16 -1.379 -10.863 4.809 1.00 0.00 C ATOM 0 H ALA A 16 -0.893 -9.841 2.483 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.477 -12.219 3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.972 -11.124 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.457 -11.445 4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.138 -9.800 4.837 1.00 0.00 H new ATOM 266 N GLY A 17 -3.357 -9.117 3.023 1.00 0.00 N ATOM 267 CA GLY A 17 -4.551 -8.230 2.959 1.00 0.00 C ATOM 268 C GLY A 17 -4.446 -7.155 4.037 1.00 0.00 C ATOM 269 O GLY A 17 -3.665 -6.229 3.929 1.00 0.00 O ATOM 0 H GLY A 17 -2.494 -8.702 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.621 -7.767 1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.460 -8.815 3.101 1.00 0.00 H new ATOM 273 N ASP A 18 -5.227 -7.272 5.080 1.00 0.00 N ATOM 274 CA ASP A 18 -5.185 -6.258 6.177 1.00 0.00 C ATOM 275 C ASP A 18 -6.082 -6.705 7.341 1.00 0.00 C ATOM 276 O ASP A 18 -7.242 -6.348 7.393 1.00 0.00 O ATOM 277 CB ASP A 18 -5.722 -4.960 5.557 1.00 0.00 C ATOM 278 CG ASP A 18 -4.901 -3.773 6.065 1.00 0.00 C ATOM 279 OD1 ASP A 18 -4.966 -3.496 7.251 1.00 0.00 O ATOM 280 OD2 ASP A 18 -4.220 -3.161 5.258 1.00 0.00 O ATOM 0 H ASP A 18 -5.895 -8.030 5.220 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.178 -6.128 6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.668 -5.014 4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.772 -4.827 5.818 1.00 0.00 H new ATOM 285 N PRO A 19 -5.519 -7.469 8.249 1.00 0.00 N ATOM 286 CA PRO A 19 -6.300 -7.944 9.417 1.00 0.00 C ATOM 287 C PRO A 19 -6.687 -6.761 10.310 1.00 0.00 C ATOM 288 O PRO A 19 -7.661 -6.817 11.037 1.00 0.00 O ATOM 289 CB PRO A 19 -5.344 -8.902 10.128 1.00 0.00 C ATOM 290 CG PRO A 19 -3.982 -8.464 9.698 1.00 0.00 C ATOM 291 CD PRO A 19 -4.131 -7.955 8.289 1.00 0.00 C ATOM 0 HA PRO A 19 -7.237 -8.430 9.145 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.456 -8.843 11.211 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.536 -9.937 9.844 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.598 -7.684 10.355 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.275 -9.293 9.740 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.420 -7.158 8.072 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.960 -8.744 7.556 1.00 0.00 H new ATOM 299 N ASP A 20 -5.940 -5.683 10.246 1.00 0.00 N ATOM 300 CA ASP A 20 -6.276 -4.488 11.074 1.00 0.00 C ATOM 301 C ASP A 20 -7.456 -3.747 10.439 1.00 0.00 C ATOM 302 O ASP A 20 -8.269 -3.154 11.120 1.00 0.00 O ATOM 303 CB ASP A 20 -5.018 -3.618 11.057 1.00 0.00 C ATOM 304 CG ASP A 20 -4.011 -4.157 12.075 1.00 0.00 C ATOM 305 OD1 ASP A 20 -3.756 -5.350 12.053 1.00 0.00 O ATOM 306 OD2 ASP A 20 -3.511 -3.367 12.859 1.00 0.00 O ATOM 0 H ASP A 20 -5.114 -5.583 9.656 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.564 -4.749 12.092 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.578 -3.616 10.060 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.274 -2.585 11.294 1.00 0.00 H new ATOM 311 N ASN A 21 -7.554 -3.791 9.132 1.00 0.00 N ATOM 312 CA ASN A 21 -8.682 -3.105 8.433 1.00 0.00 C ATOM 313 C ASN A 21 -9.827 -4.094 8.155 1.00 0.00 C ATOM 314 O ASN A 21 -10.791 -3.755 7.495 1.00 0.00 O ATOM 315 CB ASN A 21 -8.082 -2.590 7.116 1.00 0.00 C ATOM 316 CG ASN A 21 -7.742 -1.105 7.257 1.00 0.00 C ATOM 317 OD1 ASN A 21 -8.536 -0.332 7.755 1.00 0.00 O ATOM 318 ND2 ASN A 21 -6.585 -0.670 6.837 1.00 0.00 N ATOM 0 H ASN A 21 -6.898 -4.275 8.519 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.104 -2.299 9.033 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.185 -3.157 6.866 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.790 -2.736 6.300 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.348 0.318 6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.918 -1.318 6.419 1.00 0.00 H new ATOM 325 N GLY A 22 -9.733 -5.317 8.645 1.00 0.00 N ATOM 326 CA GLY A 22 -10.820 -6.319 8.398 1.00 0.00 C ATOM 327 C GLY A 22 -11.030 -6.473 6.890 1.00 0.00 C ATOM 328 O GLY A 22 -12.060 -6.100 6.360 1.00 0.00 O ATOM 0 H GLY A 22 -8.951 -5.659 9.203 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.553 -7.279 8.840 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.745 -5.995 8.875 1.00 0.00 H new ATOM 332 N ILE A 23 -10.050 -6.993 6.197 1.00 0.00 N ATOM 333 CA ILE A 23 -10.175 -7.139 4.716 1.00 0.00 C ATOM 334 C ILE A 23 -9.984 -8.594 4.279 1.00 0.00 C ATOM 335 O ILE A 23 -9.521 -9.431 5.031 1.00 0.00 O ATOM 336 CB ILE A 23 -9.059 -6.251 4.148 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.270 -4.798 4.606 1.00 0.00 C ATOM 338 CG2 ILE A 23 -9.065 -6.310 2.616 1.00 0.00 C ATOM 339 CD1 ILE A 23 -10.639 -4.285 4.132 1.00 0.00 C ATOM 0 H ILE A 23 -9.169 -7.323 6.592 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.164 -6.849 4.361 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.099 -6.614 4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.208 -4.739 5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.478 -4.165 4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.269 -5.676 2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.904 -7.338 2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.026 -5.958 2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.776 -3.255 4.463 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.686 -4.326 3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.427 -4.909 4.553 1.00 0.00 H new ATOM 351 N SER A 24 -10.340 -8.883 3.057 1.00 0.00 N ATOM 352 CA SER A 24 -10.191 -10.271 2.525 1.00 0.00 C ATOM 353 C SER A 24 -8.710 -10.692 2.549 1.00 0.00 C ATOM 354 O SER A 24 -7.842 -9.880 2.297 1.00 0.00 O ATOM 355 CB SER A 24 -10.708 -10.190 1.083 1.00 0.00 C ATOM 356 OG SER A 24 -10.167 -11.262 0.320 1.00 0.00 O ATOM 0 H SER A 24 -10.732 -8.211 2.397 1.00 0.00 H new ATOM 0 HA SER A 24 -10.736 -11.007 3.115 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.797 -10.237 1.073 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.426 -9.236 0.638 1.00 0.00 H new ATOM 0 HG SER A 24 -9.376 -10.950 -0.168 1.00 0.00 H new ATOM 362 N PRO A 25 -8.459 -11.951 2.848 1.00 0.00 N ATOM 363 CA PRO A 25 -7.060 -12.445 2.889 1.00 0.00 C ATOM 364 C PRO A 25 -6.512 -12.597 1.466 1.00 0.00 C ATOM 365 O PRO A 25 -7.076 -13.305 0.653 1.00 0.00 O ATOM 366 CB PRO A 25 -7.174 -13.802 3.576 1.00 0.00 C ATOM 367 CG PRO A 25 -8.577 -14.253 3.322 1.00 0.00 C ATOM 368 CD PRO A 25 -9.424 -13.016 3.169 1.00 0.00 C ATOM 0 HA PRO A 25 -6.381 -11.770 3.410 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.453 -14.511 3.170 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.974 -13.721 4.644 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.627 -14.866 2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.939 -14.867 4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.163 -13.135 2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.972 -12.793 4.085 1.00 0.00 H new ATOM 376 N GLY A 26 -5.428 -11.929 1.156 1.00 0.00 N ATOM 377 CA GLY A 26 -4.855 -12.027 -0.219 1.00 0.00 C ATOM 378 C GLY A 26 -5.729 -11.211 -1.170 1.00 0.00 C ATOM 379 O GLY A 26 -6.399 -11.747 -2.030 1.00 0.00 O ATOM 0 H GLY A 26 -4.917 -11.321 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.832 -11.652 -0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.817 -13.068 -0.540 1.00 0.00 H new ATOM 383 N THR A 27 -5.735 -9.915 -1.001 1.00 0.00 N ATOM 384 CA THR A 27 -6.574 -9.042 -1.869 1.00 0.00 C ATOM 385 C THR A 27 -5.691 -8.063 -2.651 1.00 0.00 C ATOM 386 O THR A 27 -4.991 -7.254 -2.076 1.00 0.00 O ATOM 387 CB THR A 27 -7.486 -8.298 -0.882 1.00 0.00 C ATOM 388 OG1 THR A 27 -8.404 -9.220 -0.314 1.00 0.00 O ATOM 389 CG2 THR A 27 -8.263 -7.182 -1.593 1.00 0.00 C ATOM 0 H THR A 27 -5.190 -9.422 -0.294 1.00 0.00 H new ATOM 0 HA THR A 27 -7.142 -9.601 -2.613 1.00 0.00 H new ATOM 0 HB THR A 27 -6.869 -7.850 -0.103 1.00 0.00 H new ATOM 0 HG1 THR A 27 -8.233 -9.302 0.647 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.902 -6.669 -0.874 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.561 -6.470 -2.028 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.878 -7.613 -2.383 1.00 0.00 H new ATOM 397 N LYS A 28 -5.738 -8.121 -3.958 1.00 0.00 N ATOM 398 CA LYS A 28 -4.922 -7.185 -4.784 1.00 0.00 C ATOM 399 C LYS A 28 -5.295 -5.735 -4.441 1.00 0.00 C ATOM 400 O LYS A 28 -6.452 -5.373 -4.483 1.00 0.00 O ATOM 401 CB LYS A 28 -5.290 -7.502 -6.238 1.00 0.00 C ATOM 402 CG LYS A 28 -4.224 -8.415 -6.851 1.00 0.00 C ATOM 403 CD LYS A 28 -4.641 -9.877 -6.683 1.00 0.00 C ATOM 404 CE LYS A 28 -5.825 -10.183 -7.606 1.00 0.00 C ATOM 405 NZ LYS A 28 -5.509 -11.503 -8.219 1.00 0.00 N ATOM 0 H LYS A 28 -6.309 -8.779 -4.489 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.853 -7.299 -4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.266 -7.987 -6.279 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.368 -6.580 -6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.096 -8.182 -7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.262 -8.243 -6.368 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.804 -10.534 -6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.916 -10.071 -5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.760 -10.222 -7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.940 -9.412 -8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.276 -11.779 -8.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.617 -11.435 -8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.412 -12.219 -7.471 1.00 0.00 H new ATOM 419 N PHE A 29 -4.332 -4.911 -4.086 1.00 0.00 N ATOM 420 CA PHE A 29 -4.640 -3.476 -3.728 1.00 0.00 C ATOM 421 C PHE A 29 -5.575 -2.826 -4.763 1.00 0.00 C ATOM 422 O PHE A 29 -6.346 -1.941 -4.441 1.00 0.00 O ATOM 423 CB PHE A 29 -3.281 -2.775 -3.729 1.00 0.00 C ATOM 424 CG PHE A 29 -3.443 -1.322 -3.338 1.00 0.00 C ATOM 425 CD1 PHE A 29 -3.741 -0.359 -4.312 1.00 0.00 C ATOM 426 CD2 PHE A 29 -3.287 -0.937 -2.003 1.00 0.00 C ATOM 427 CE1 PHE A 29 -3.883 0.988 -3.944 1.00 0.00 C ATOM 428 CE2 PHE A 29 -3.429 0.404 -1.639 1.00 0.00 C ATOM 429 CZ PHE A 29 -3.727 1.367 -2.607 1.00 0.00 C ATOM 0 H PHE A 29 -3.346 -5.166 -4.028 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.151 -3.403 -2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.606 -3.273 -3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.828 -2.845 -4.718 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.861 -0.653 -5.344 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.056 -1.678 -1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.113 1.731 -4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.308 0.698 -0.607 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.837 2.403 -2.323 1.00 0.00 H new ATOM 439 N GLU A 30 -5.512 -3.263 -5.994 1.00 0.00 N ATOM 440 CA GLU A 30 -6.399 -2.678 -7.048 1.00 0.00 C ATOM 441 C GLU A 30 -7.836 -3.198 -6.893 1.00 0.00 C ATOM 442 O GLU A 30 -8.775 -2.599 -7.383 1.00 0.00 O ATOM 443 CB GLU A 30 -5.797 -3.130 -8.385 1.00 0.00 C ATOM 444 CG GLU A 30 -5.748 -4.664 -8.454 1.00 0.00 C ATOM 445 CD GLU A 30 -6.278 -5.140 -9.809 1.00 0.00 C ATOM 446 OE1 GLU A 30 -5.799 -4.647 -10.817 1.00 0.00 O ATOM 447 OE2 GLU A 30 -7.153 -5.990 -9.815 1.00 0.00 O ATOM 0 H GLU A 30 -4.885 -4.000 -6.317 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.451 -1.592 -6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.393 -2.741 -9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.793 -2.722 -8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.725 -5.011 -8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.345 -5.093 -7.649 1.00 0.00 H new ATOM 454 N GLU A 31 -8.011 -4.306 -6.215 1.00 0.00 N ATOM 455 CA GLU A 31 -9.379 -4.872 -6.024 1.00 0.00 C ATOM 456 C GLU A 31 -10.053 -4.247 -4.797 1.00 0.00 C ATOM 457 O GLU A 31 -11.265 -4.204 -4.706 1.00 0.00 O ATOM 458 CB GLU A 31 -9.156 -6.369 -5.808 1.00 0.00 C ATOM 459 CG GLU A 31 -10.500 -7.098 -5.849 1.00 0.00 C ATOM 460 CD GLU A 31 -10.285 -8.580 -5.545 1.00 0.00 C ATOM 461 OE1 GLU A 31 -9.545 -8.874 -4.621 1.00 0.00 O ATOM 462 OE2 GLU A 31 -10.862 -9.398 -6.243 1.00 0.00 O ATOM 0 H GLU A 31 -7.259 -4.844 -5.784 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.030 -4.671 -6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.493 -6.763 -6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.667 -6.540 -4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.185 -6.662 -5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.960 -6.980 -6.830 1.00 0.00 H new ATOM 469 N LEU A 32 -9.279 -3.758 -3.854 1.00 0.00 N ATOM 470 CA LEU A 32 -9.882 -3.128 -2.631 1.00 0.00 C ATOM 471 C LEU A 32 -10.842 -1.994 -3.046 1.00 0.00 C ATOM 472 O LEU A 32 -10.537 -1.246 -3.954 1.00 0.00 O ATOM 473 CB LEU A 32 -8.695 -2.567 -1.836 1.00 0.00 C ATOM 474 CG LEU A 32 -8.208 -3.596 -0.806 1.00 0.00 C ATOM 475 CD1 LEU A 32 -6.988 -3.036 -0.065 1.00 0.00 C ATOM 476 CD2 LEU A 32 -9.325 -3.903 0.201 1.00 0.00 C ATOM 0 H LEU A 32 -8.259 -3.767 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.459 -3.840 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.882 -2.310 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.990 -1.648 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.933 -4.516 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.641 -3.765 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.191 -2.831 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.264 -2.113 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.969 -4.634 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.611 -2.987 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.189 -4.306 -0.326 1.00 0.00 H new ATOM 488 N PRO A 33 -11.981 -1.903 -2.389 1.00 0.00 N ATOM 489 CA PRO A 33 -12.965 -0.855 -2.743 1.00 0.00 C ATOM 490 C PRO A 33 -12.580 0.487 -2.114 1.00 0.00 C ATOM 491 O PRO A 33 -11.578 0.598 -1.434 1.00 0.00 O ATOM 492 CB PRO A 33 -14.271 -1.373 -2.150 1.00 0.00 C ATOM 493 CG PRO A 33 -13.872 -2.280 -1.026 1.00 0.00 C ATOM 494 CD PRO A 33 -12.457 -2.743 -1.277 1.00 0.00 C ATOM 0 HA PRO A 33 -13.027 -0.678 -3.817 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.891 -0.552 -1.790 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.855 -1.909 -2.898 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.938 -1.756 -0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.547 -3.134 -0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.836 -2.616 -0.391 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.427 -3.801 -1.539 1.00 0.00 H new ATOM 502 N ASP A 34 -13.377 1.502 -2.336 1.00 0.00 N ATOM 503 CA ASP A 34 -13.069 2.844 -1.752 1.00 0.00 C ATOM 504 C ASP A 34 -13.095 2.786 -0.222 1.00 0.00 C ATOM 505 O ASP A 34 -12.577 3.664 0.443 1.00 0.00 O ATOM 506 CB ASP A 34 -14.160 3.779 -2.276 1.00 0.00 C ATOM 507 CG ASP A 34 -14.006 3.948 -3.788 1.00 0.00 C ATOM 508 OD1 ASP A 34 -13.915 2.942 -4.472 1.00 0.00 O ATOM 509 OD2 ASP A 34 -13.978 5.083 -4.237 1.00 0.00 O ATOM 0 H ASP A 34 -14.228 1.460 -2.897 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.074 3.188 -2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.144 3.373 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.091 4.748 -1.782 1.00 0.00 H new ATOM 514 N ASP A 35 -13.673 1.752 0.345 1.00 0.00 N ATOM 515 CA ASP A 35 -13.704 1.637 1.832 1.00 0.00 C ATOM 516 C ASP A 35 -12.287 1.382 2.376 1.00 0.00 C ATOM 517 O ASP A 35 -12.068 1.422 3.573 1.00 0.00 O ATOM 518 CB ASP A 35 -14.611 0.440 2.125 1.00 0.00 C ATOM 519 CG ASP A 35 -15.276 0.625 3.491 1.00 0.00 C ATOM 520 OD1 ASP A 35 -14.560 0.629 4.480 1.00 0.00 O ATOM 521 OD2 ASP A 35 -16.488 0.756 3.525 1.00 0.00 O ATOM 0 H ASP A 35 -14.122 0.987 -0.159 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.069 2.549 2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.370 0.347 1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.029 -0.482 2.114 1.00 0.00 H new ATOM 526 N TRP A 36 -11.325 1.120 1.515 1.00 0.00 N ATOM 527 CA TRP A 36 -9.937 0.866 1.999 1.00 0.00 C ATOM 528 C TRP A 36 -9.000 1.989 1.552 1.00 0.00 C ATOM 529 O TRP A 36 -8.836 2.238 0.372 1.00 0.00 O ATOM 530 CB TRP A 36 -9.521 -0.455 1.350 1.00 0.00 C ATOM 531 CG TRP A 36 -8.298 -0.972 2.038 1.00 0.00 C ATOM 532 CD1 TRP A 36 -8.278 -1.999 2.915 1.00 0.00 C ATOM 533 CD2 TRP A 36 -6.925 -0.503 1.928 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.983 -2.192 3.351 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.111 -1.295 2.772 1.00 0.00 C ATOM 536 CE3 TRP A 36 -6.309 0.521 1.186 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -4.740 -1.079 2.879 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.927 0.741 1.290 1.00 0.00 C ATOM 539 CH2 TRP A 36 -4.144 -0.057 2.137 1.00 0.00 C ATOM 0 H TRP A 36 -11.447 1.073 0.503 1.00 0.00 H new ATOM 0 HA TRP A 36 -9.889 0.823 3.087 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -10.330 -1.182 1.424 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -9.322 -0.307 0.289 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.137 -2.576 3.225 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.705 -2.910 4.020 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.903 1.142 0.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.141 -1.697 3.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.464 1.529 0.715 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.081 0.119 2.215 1.00 0.00 H new ATOM 550 N VAL A 37 -8.377 2.663 2.486 1.00 0.00 N ATOM 551 CA VAL A 37 -7.435 3.768 2.126 1.00 0.00 C ATOM 552 C VAL A 37 -6.332 3.873 3.188 1.00 0.00 C ATOM 553 O VAL A 37 -5.201 3.492 2.954 1.00 0.00 O ATOM 554 CB VAL A 37 -8.289 5.043 2.085 1.00 0.00 C ATOM 555 CG1 VAL A 37 -7.408 6.246 1.727 1.00 0.00 C ATOM 556 CG2 VAL A 37 -9.385 4.895 1.026 1.00 0.00 C ATOM 0 H VAL A 37 -8.481 2.495 3.487 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.941 3.599 1.169 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.741 5.199 3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.018 7.149 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.626 6.360 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.953 6.086 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.990 5.801 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.928 4.734 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.019 4.044 1.275 1.00 0.00 H new ATOM 566 N ALA A 38 -6.655 4.386 4.349 1.00 0.00 N ATOM 567 CA ALA A 38 -5.630 4.517 5.429 1.00 0.00 C ATOM 568 C ALA A 38 -6.308 4.877 6.759 1.00 0.00 C ATOM 569 O ALA A 38 -7.483 5.184 6.781 1.00 0.00 O ATOM 570 CB ALA A 38 -4.712 5.650 4.971 1.00 0.00 C ATOM 0 H ALA A 38 -7.587 4.720 4.596 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.080 3.590 5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.930 5.808 5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.257 5.386 4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.293 6.565 4.856 1.00 0.00 H new ATOM 576 N PRO A 39 -5.553 4.827 7.835 1.00 0.00 N ATOM 577 CA PRO A 39 -6.122 5.157 9.165 1.00 0.00 C ATOM 578 C PRO A 39 -6.358 6.665 9.288 1.00 0.00 C ATOM 579 O PRO A 39 -7.435 7.104 9.644 1.00 0.00 O ATOM 580 CB PRO A 39 -5.051 4.687 10.145 1.00 0.00 C ATOM 581 CG PRO A 39 -3.773 4.710 9.369 1.00 0.00 C ATOM 582 CD PRO A 39 -4.125 4.469 7.923 1.00 0.00 C ATOM 0 HA PRO A 39 -7.088 4.686 9.345 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.996 5.344 11.013 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -5.269 3.685 10.516 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.268 5.669 9.487 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.089 3.943 9.731 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.518 5.083 7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.956 3.430 7.640 1.00 0.00 H new ATOM 590 N ILE A 40 -5.357 7.459 8.998 1.00 0.00 N ATOM 591 CA ILE A 40 -5.516 8.941 9.097 1.00 0.00 C ATOM 592 C ILE A 40 -4.321 9.645 8.442 1.00 0.00 C ATOM 593 O ILE A 40 -3.505 10.249 9.114 1.00 0.00 O ATOM 594 CB ILE A 40 -5.573 9.232 10.604 1.00 0.00 C ATOM 595 CG1 ILE A 40 -5.760 10.738 10.832 1.00 0.00 C ATOM 596 CG2 ILE A 40 -4.278 8.762 11.285 1.00 0.00 C ATOM 597 CD1 ILE A 40 -7.254 11.068 10.854 1.00 0.00 C ATOM 0 H ILE A 40 -4.435 7.143 8.696 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.408 9.302 8.584 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.415 8.692 11.037 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.297 11.035 11.773 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.264 11.301 10.041 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.331 8.974 12.353 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.156 7.690 11.133 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.427 9.289 10.852 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.388 12.138 11.016 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.703 10.786 9.902 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.737 10.516 11.660 1.00 0.00 H new ATOM 609 N THR A 41 -4.213 9.570 7.138 1.00 0.00 N ATOM 610 CA THR A 41 -3.070 10.233 6.442 1.00 0.00 C ATOM 611 C THR A 41 -3.446 10.599 5.003 1.00 0.00 C ATOM 612 O THR A 41 -3.352 11.745 4.604 1.00 0.00 O ATOM 613 CB THR A 41 -1.948 9.192 6.451 1.00 0.00 C ATOM 614 OG1 THR A 41 -2.483 7.921 6.106 1.00 0.00 O ATOM 615 CG2 THR A 41 -1.322 9.125 7.845 1.00 0.00 C ATOM 0 H THR A 41 -4.866 9.079 6.528 1.00 0.00 H new ATOM 0 HA THR A 41 -2.779 11.162 6.933 1.00 0.00 H new ATOM 0 HB THR A 41 -1.183 9.474 5.727 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.766 7.253 6.109 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.523 8.383 7.850 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.913 10.101 8.107 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.083 8.843 8.573 1.00 0.00 H new ATOM 623 N GLY A 42 -3.863 9.635 4.221 1.00 0.00 N ATOM 624 CA GLY A 42 -4.234 9.924 2.803 1.00 0.00 C ATOM 625 C GLY A 42 -5.756 9.992 2.662 1.00 0.00 C ATOM 626 O GLY A 42 -6.445 10.510 3.521 1.00 0.00 O ATOM 0 H GLY A 42 -3.962 8.660 4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.789 10.868 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.835 9.149 2.149 1.00 0.00 H new ATOM 630 N ALA A 43 -6.282 9.470 1.581 1.00 0.00 N ATOM 631 CA ALA A 43 -7.765 9.496 1.367 1.00 0.00 C ATOM 632 C ALA A 43 -8.151 8.670 0.125 1.00 0.00 C ATOM 633 O ALA A 43 -9.028 7.834 0.208 1.00 0.00 O ATOM 634 CB ALA A 43 -8.137 10.972 1.182 1.00 0.00 C ATOM 0 H ALA A 43 -5.747 9.025 0.835 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.299 9.056 2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.212 11.059 1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.857 11.532 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.607 11.375 0.319 1.00 0.00 H new ATOM 640 N PRO A 44 -7.499 8.915 -0.996 1.00 0.00 N ATOM 641 CA PRO A 44 -7.806 8.163 -2.224 1.00 0.00 C ATOM 642 C PRO A 44 -6.844 6.977 -2.362 1.00 0.00 C ATOM 643 O PRO A 44 -5.647 7.154 -2.490 1.00 0.00 O ATOM 644 CB PRO A 44 -7.563 9.199 -3.318 1.00 0.00 C ATOM 645 CG PRO A 44 -6.594 10.194 -2.732 1.00 0.00 C ATOM 646 CD PRO A 44 -6.437 9.888 -1.259 1.00 0.00 C ATOM 0 HA PRO A 44 -8.811 7.743 -2.252 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.152 8.733 -4.214 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.494 9.685 -3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.631 10.130 -3.238 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.961 11.211 -2.872 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.452 9.477 -1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.553 10.784 -0.649 1.00 0.00 H new ATOM 654 N LYS A 45 -7.357 5.773 -2.329 1.00 0.00 N ATOM 655 CA LYS A 45 -6.469 4.572 -2.447 1.00 0.00 C ATOM 656 C LYS A 45 -5.687 4.594 -3.773 1.00 0.00 C ATOM 657 O LYS A 45 -4.687 3.917 -3.917 1.00 0.00 O ATOM 658 CB LYS A 45 -7.410 3.358 -2.368 1.00 0.00 C ATOM 659 CG LYS A 45 -8.313 3.293 -3.609 1.00 0.00 C ATOM 660 CD LYS A 45 -7.798 2.207 -4.558 1.00 0.00 C ATOM 661 CE LYS A 45 -8.536 2.304 -5.896 1.00 0.00 C ATOM 662 NZ LYS A 45 -9.656 1.329 -5.786 1.00 0.00 N ATOM 0 H LYS A 45 -8.351 5.568 -2.226 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.717 4.543 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.825 2.442 -2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.023 3.424 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.340 3.076 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.324 4.258 -4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.725 2.324 -4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.951 1.222 -4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.907 3.314 -6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.878 2.058 -6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.210 1.336 -6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.272 0.376 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.269 1.593 -4.988 1.00 0.00 H new ATOM 676 N SER A 46 -6.133 5.366 -4.736 1.00 0.00 N ATOM 677 CA SER A 46 -5.411 5.430 -6.045 1.00 0.00 C ATOM 678 C SER A 46 -4.165 6.329 -5.950 1.00 0.00 C ATOM 679 O SER A 46 -3.456 6.511 -6.922 1.00 0.00 O ATOM 680 CB SER A 46 -6.421 6.027 -7.026 1.00 0.00 C ATOM 681 OG SER A 46 -6.293 5.379 -8.285 1.00 0.00 O ATOM 0 H SER A 46 -6.964 5.953 -4.671 1.00 0.00 H new ATOM 0 HA SER A 46 -5.059 4.447 -6.357 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.434 5.905 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.249 7.098 -7.136 1.00 0.00 H new ATOM 0 HG SER A 46 -6.940 5.758 -8.916 1.00 0.00 H new ATOM 687 N GLU A 47 -3.887 6.886 -4.791 1.00 0.00 N ATOM 688 CA GLU A 47 -2.687 7.760 -4.644 1.00 0.00 C ATOM 689 C GLU A 47 -1.536 6.962 -4.020 1.00 0.00 C ATOM 690 O GLU A 47 -0.665 7.512 -3.373 1.00 0.00 O ATOM 691 CB GLU A 47 -3.139 8.889 -3.712 1.00 0.00 C ATOM 692 CG GLU A 47 -2.080 9.996 -3.684 1.00 0.00 C ATOM 693 CD GLU A 47 -1.943 10.540 -2.259 1.00 0.00 C ATOM 694 OE1 GLU A 47 -1.154 9.989 -1.509 1.00 0.00 O ATOM 695 OE2 GLU A 47 -2.630 11.497 -1.944 1.00 0.00 O ATOM 0 H GLU A 47 -4.443 6.770 -3.944 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.324 8.144 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.092 9.294 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.298 8.500 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.122 9.606 -4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.361 10.799 -4.365 1.00 0.00 H new ATOM 702 N PHE A 48 -1.532 5.666 -4.213 1.00 0.00 N ATOM 703 CA PHE A 48 -0.445 4.819 -3.635 1.00 0.00 C ATOM 704 C PHE A 48 0.647 4.556 -4.677 1.00 0.00 C ATOM 705 O PHE A 48 0.666 5.145 -5.741 1.00 0.00 O ATOM 706 CB PHE A 48 -1.117 3.499 -3.257 1.00 0.00 C ATOM 707 CG PHE A 48 -1.710 3.597 -1.881 1.00 0.00 C ATOM 708 CD1 PHE A 48 -2.622 4.611 -1.566 1.00 0.00 C ATOM 709 CD2 PHE A 48 -1.344 2.662 -0.916 1.00 0.00 C ATOM 710 CE1 PHE A 48 -3.164 4.684 -0.277 1.00 0.00 C ATOM 711 CE2 PHE A 48 -1.877 2.731 0.362 1.00 0.00 C ATOM 712 CZ PHE A 48 -2.789 3.742 0.689 1.00 0.00 C ATOM 0 H PHE A 48 -2.237 5.158 -4.747 1.00 0.00 H new ATOM 0 HA PHE A 48 0.028 5.306 -2.782 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.896 3.258 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.389 2.689 -3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.907 5.335 -2.315 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.642 1.880 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.869 5.464 -0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.588 2.004 1.107 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.203 3.795 1.685 1.00 0.00 H new ATOM 722 N GLU A 49 1.544 3.655 -4.371 1.00 0.00 N ATOM 723 CA GLU A 49 2.633 3.306 -5.314 1.00 0.00 C ATOM 724 C GLU A 49 3.131 1.894 -4.998 1.00 0.00 C ATOM 725 O GLU A 49 3.538 1.612 -3.888 1.00 0.00 O ATOM 726 CB GLU A 49 3.731 4.342 -5.068 1.00 0.00 C ATOM 727 CG GLU A 49 4.615 4.454 -6.312 1.00 0.00 C ATOM 728 CD GLU A 49 5.707 3.385 -6.263 1.00 0.00 C ATOM 729 OE1 GLU A 49 6.605 3.520 -5.448 1.00 0.00 O ATOM 730 OE2 GLU A 49 5.628 2.449 -7.042 1.00 0.00 O ATOM 0 H GLU A 49 1.563 3.141 -3.490 1.00 0.00 H new ATOM 0 HA GLU A 49 2.313 3.316 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.287 5.310 -4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.332 4.052 -4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.012 4.331 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.065 5.446 -6.363 1.00 0.00 H new ATOM 737 N LYS A 50 3.086 1.000 -5.957 1.00 0.00 N ATOM 738 CA LYS A 50 3.544 -0.403 -5.696 1.00 0.00 C ATOM 739 C LYS A 50 4.995 -0.409 -5.211 1.00 0.00 C ATOM 740 O LYS A 50 5.649 0.617 -5.170 1.00 0.00 O ATOM 741 CB LYS A 50 3.427 -1.134 -7.036 1.00 0.00 C ATOM 742 CG LYS A 50 1.981 -1.086 -7.530 1.00 0.00 C ATOM 743 CD LYS A 50 1.666 -2.371 -8.299 1.00 0.00 C ATOM 744 CE LYS A 50 1.297 -3.483 -7.312 1.00 0.00 C ATOM 745 NZ LYS A 50 1.954 -4.707 -7.851 1.00 0.00 N ATOM 0 H LYS A 50 2.754 1.179 -6.905 1.00 0.00 H new ATOM 0 HA LYS A 50 2.945 -0.883 -4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.087 -0.673 -7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.748 -2.170 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.300 -0.977 -6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.833 -0.218 -8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.843 -2.199 -8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.528 -2.671 -8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.652 -3.254 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.216 -3.611 -7.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.748 -5.514 -7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.591 -4.904 -8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.982 -4.558 -7.895 1.00 0.00 H new ATOM 759 N LEU A 51 5.497 -1.557 -4.846 1.00 0.00 N ATOM 760 CA LEU A 51 6.906 -1.642 -4.360 1.00 0.00 C ATOM 761 C LEU A 51 7.868 -1.653 -5.549 1.00 0.00 C ATOM 762 O LEU A 51 8.970 -1.144 -5.474 1.00 0.00 O ATOM 763 CB LEU A 51 6.978 -2.960 -3.587 1.00 0.00 C ATOM 764 CG LEU A 51 8.380 -3.134 -2.990 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.365 -2.719 -1.517 1.00 0.00 C ATOM 766 CD2 LEU A 51 8.804 -4.602 -3.097 1.00 0.00 C ATOM 0 H LEU A 51 4.992 -2.443 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 51 7.186 -0.794 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.231 -2.968 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.748 -3.794 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 51 9.085 -2.509 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.362 -2.843 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.064 -1.674 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.658 -3.343 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.800 -4.725 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.097 -5.226 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.817 -4.902 -4.145 1.00 0.00 H new ATOM 778 N GLU A 52 7.451 -2.223 -6.654 1.00 0.00 N ATOM 779 CA GLU A 52 8.319 -2.272 -7.876 1.00 0.00 C ATOM 780 C GLU A 52 9.726 -2.788 -7.537 1.00 0.00 C ATOM 781 O GLU A 52 9.964 -3.308 -6.463 1.00 0.00 O ATOM 782 CB GLU A 52 8.380 -0.825 -8.367 1.00 0.00 C ATOM 783 CG GLU A 52 7.307 -0.600 -9.436 1.00 0.00 C ATOM 784 CD GLU A 52 7.721 -1.301 -10.732 1.00 0.00 C ATOM 785 OE1 GLU A 52 8.831 -1.064 -11.180 1.00 0.00 O ATOM 786 OE2 GLU A 52 6.922 -2.061 -11.253 1.00 0.00 O ATOM 0 H GLU A 52 6.537 -2.661 -6.764 1.00 0.00 H new ATOM 0 HA GLU A 52 7.921 -2.951 -8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.226 -0.140 -7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.367 -0.611 -8.777 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.348 -0.987 -9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.174 0.467 -9.614 1.00 0.00 H new ATOM 793 N ASP A 53 10.654 -2.649 -8.453 1.00 0.00 N ATOM 794 CA ASP A 53 12.047 -3.131 -8.202 1.00 0.00 C ATOM 795 C ASP A 53 12.625 -2.482 -6.939 1.00 0.00 C ATOM 796 O ASP A 53 12.640 -3.140 -5.912 1.00 0.00 O ATOM 797 CB ASP A 53 12.850 -2.706 -9.434 1.00 0.00 C ATOM 798 CG ASP A 53 12.349 -3.471 -10.660 1.00 0.00 C ATOM 799 OD1 ASP A 53 11.297 -3.115 -11.168 1.00 0.00 O ATOM 800 OD2 ASP A 53 13.024 -4.401 -11.071 1.00 0.00 O ATOM 801 OXT ASP A 53 13.042 -1.337 -7.022 1.00 0.00 O ATOM 0 H ASP A 53 10.505 -2.221 -9.367 1.00 0.00 H new ATOM 0 HA ASP A 53 12.079 -4.209 -8.045 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.748 -1.633 -9.595 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.910 -2.905 -9.276 1.00 0.00 H new TER 806 ASP A 53