USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=9 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 10 TYR OH : rot -5:sc= 1.22 USER MOD Set 1.2: A 21 ASN : amide:sc= 0.257 X(o=1.5,f=1.2) 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= -1.27 USER MOD Single : A 12 TYR OH : rot 166:sc= 0.892 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -70:sc= -2.24 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 56:sc= 0.528 USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 0.0417 (180deg=0.0372) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0441 USER MOD Single : A 50 LYS NZ :NH3+ 131:sc= -0.0233 (180deg=-0.307) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.631 -8.861 -3.339 1.00 0.00 N ATOM 2 CA ALA A 1 3.539 -7.451 -3.816 1.00 0.00 C ATOM 3 C ALA A 1 3.000 -6.550 -2.701 1.00 0.00 C ATOM 4 O ALA A 1 1.998 -6.853 -2.079 1.00 0.00 O ATOM 5 CB ALA A 1 2.563 -7.493 -4.991 1.00 0.00 C ATOM 0 H1 ALA A 1 3.998 -9.463 -4.104 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.273 -8.910 -2.522 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.687 -9.195 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 1 4.509 -7.049 -4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.441 -6.490 -5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.953 -8.154 -5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.597 -7.865 -4.649 1.00 0.00 H new ATOM 13 N LYS A 2 3.658 -5.448 -2.445 1.00 0.00 N ATOM 14 CA LYS A 2 3.190 -4.525 -1.371 1.00 0.00 C ATOM 15 C LYS A 2 2.849 -3.152 -1.959 1.00 0.00 C ATOM 16 O LYS A 2 3.194 -2.841 -3.086 1.00 0.00 O ATOM 17 CB LYS A 2 4.364 -4.415 -0.400 1.00 0.00 C ATOM 18 CG LYS A 2 4.628 -5.779 0.239 1.00 0.00 C ATOM 19 CD LYS A 2 5.894 -5.706 1.096 1.00 0.00 C ATOM 20 CE LYS A 2 5.851 -6.800 2.166 1.00 0.00 C ATOM 21 NZ LYS A 2 6.474 -6.185 3.370 1.00 0.00 N ATOM 0 H LYS A 2 4.501 -5.148 -2.935 1.00 0.00 H new ATOM 0 HA LYS A 2 2.288 -4.891 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.254 -4.070 -0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.144 -3.677 0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.777 -6.075 0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.743 -6.538 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.777 -5.830 0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.972 -4.726 1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.827 -7.114 2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.399 -7.686 1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.481 -6.875 4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.450 -5.902 3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.927 -5.348 3.655 1.00 0.00 H new ATOM 35 N TRP A 3 2.178 -2.330 -1.193 1.00 0.00 N ATOM 36 CA TRP A 3 1.803 -0.971 -1.683 1.00 0.00 C ATOM 37 C TRP A 3 2.209 0.073 -0.644 1.00 0.00 C ATOM 38 O TRP A 3 1.591 0.188 0.397 1.00 0.00 O ATOM 39 CB TRP A 3 0.283 -1.012 -1.828 1.00 0.00 C ATOM 40 CG TRP A 3 -0.083 -1.592 -3.150 1.00 0.00 C ATOM 41 CD1 TRP A 3 0.129 -2.870 -3.530 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.734 -0.935 -4.264 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.331 -3.030 -4.827 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.878 -1.860 -5.320 1.00 0.00 C ATOM 45 CE3 TRP A 3 -1.200 0.369 -4.452 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.470 -1.498 -6.531 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.798 0.743 -5.667 1.00 0.00 C ATOM 48 CH2 TRP A 3 -1.931 -0.190 -6.706 1.00 0.00 C ATOM 0 H TRP A 3 1.872 -2.544 -0.244 1.00 0.00 H new ATOM 0 HA TRP A 3 2.294 -0.710 -2.621 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -0.152 -1.609 -1.026 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.127 -0.006 -1.736 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.582 -3.640 -2.923 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.273 -3.902 -5.353 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -1.100 1.094 -3.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.571 -2.222 -7.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -2.157 1.753 -5.802 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -2.389 0.102 -7.640 1.00 0.00 H new ATOM 59 N VAL A 4 3.246 0.824 -0.911 1.00 0.00 N ATOM 60 CA VAL A 4 3.698 1.848 0.075 1.00 0.00 C ATOM 61 C VAL A 4 3.041 3.203 -0.196 1.00 0.00 C ATOM 62 O VAL A 4 2.773 3.568 -1.325 1.00 0.00 O ATOM 63 CB VAL A 4 5.224 1.932 -0.085 1.00 0.00 C ATOM 64 CG1 VAL A 4 5.582 2.347 -1.516 1.00 0.00 C ATOM 65 CG2 VAL A 4 5.791 2.962 0.900 1.00 0.00 C ATOM 0 H VAL A 4 3.798 0.772 -1.767 1.00 0.00 H new ATOM 0 HA VAL A 4 3.417 1.574 1.092 1.00 0.00 H new ATOM 0 HB VAL A 4 5.654 0.952 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.666 2.403 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.189 1.611 -2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.146 3.322 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.873 3.019 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.352 3.939 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.551 2.661 1.920 1.00 0.00 H new ATOM 75 N LEU A 5 2.794 3.944 0.847 1.00 0.00 N ATOM 76 CA LEU A 5 2.168 5.285 0.701 1.00 0.00 C ATOM 77 C LEU A 5 3.257 6.360 0.810 1.00 0.00 C ATOM 78 O LEU A 5 3.710 6.686 1.890 1.00 0.00 O ATOM 79 CB LEU A 5 1.180 5.383 1.874 1.00 0.00 C ATOM 80 CG LEU A 5 -0.247 5.607 1.363 1.00 0.00 C ATOM 81 CD1 LEU A 5 -1.183 5.759 2.561 1.00 0.00 C ATOM 82 CD2 LEU A 5 -0.309 6.881 0.514 1.00 0.00 C ATOM 0 H LEU A 5 3.003 3.672 1.808 1.00 0.00 H new ATOM 0 HA LEU A 5 1.667 5.426 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.220 4.469 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.469 6.203 2.532 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.549 4.756 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.202 5.919 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.147 4.854 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.869 6.612 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.328 7.030 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.008 7.736 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.364 6.784 -0.338 1.00 0.00 H new ATOM 94 N LYS A 6 3.691 6.896 -0.303 1.00 0.00 N ATOM 95 CA LYS A 6 4.770 7.937 -0.278 1.00 0.00 C ATOM 96 C LYS A 6 4.398 9.110 0.642 1.00 0.00 C ATOM 97 O LYS A 6 5.257 9.843 1.093 1.00 0.00 O ATOM 98 CB LYS A 6 4.897 8.420 -1.724 1.00 0.00 C ATOM 99 CG LYS A 6 5.541 7.323 -2.574 1.00 0.00 C ATOM 100 CD LYS A 6 7.052 7.554 -2.647 1.00 0.00 C ATOM 101 CE LYS A 6 7.762 6.227 -2.930 1.00 0.00 C ATOM 102 NZ LYS A 6 8.257 5.766 -1.604 1.00 0.00 N ATOM 0 H LYS A 6 3.345 6.658 -1.232 1.00 0.00 H new ATOM 0 HA LYS A 6 5.704 7.528 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.914 8.673 -2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.500 9.327 -1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.333 6.344 -2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.113 7.327 -3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.282 8.275 -3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.411 7.977 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.080 5.500 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.584 6.361 -3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.756 4.860 -1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.909 6.475 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.452 5.641 -0.957 1.00 0.00 H new ATOM 116 N ILE A 7 3.131 9.297 0.915 1.00 0.00 N ATOM 117 CA ILE A 7 2.712 10.429 1.796 1.00 0.00 C ATOM 118 C ILE A 7 2.857 10.061 3.283 1.00 0.00 C ATOM 119 O ILE A 7 2.723 10.912 4.144 1.00 0.00 O ATOM 120 CB ILE A 7 1.243 10.688 1.439 1.00 0.00 C ATOM 121 CG1 ILE A 7 1.136 11.073 -0.045 1.00 0.00 C ATOM 122 CG2 ILE A 7 0.696 11.835 2.297 1.00 0.00 C ATOM 123 CD1 ILE A 7 0.722 9.850 -0.865 1.00 0.00 C ATOM 0 H ILE A 7 2.369 8.715 0.566 1.00 0.00 H new ATOM 0 HA ILE A 7 3.333 11.311 1.642 1.00 0.00 H new ATOM 0 HB ILE A 7 0.664 9.784 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.406 11.872 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.092 11.455 -0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.348 12.016 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.769 11.568 3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.277 12.738 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.647 10.126 -1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.468 9.064 -0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.245 9.487 -0.515 1.00 0.00 H new ATOM 135 N THR A 8 3.121 8.813 3.601 1.00 0.00 N ATOM 136 CA THR A 8 3.262 8.425 5.040 1.00 0.00 C ATOM 137 C THR A 8 4.266 7.282 5.210 1.00 0.00 C ATOM 138 O THR A 8 5.122 7.324 6.073 1.00 0.00 O ATOM 139 CB THR A 8 1.867 7.964 5.468 1.00 0.00 C ATOM 140 OG1 THR A 8 1.460 6.874 4.652 1.00 0.00 O ATOM 141 CG2 THR A 8 0.873 9.115 5.319 1.00 0.00 C ATOM 0 H THR A 8 3.244 8.054 2.931 1.00 0.00 H new ATOM 0 HA THR A 8 3.631 9.256 5.641 1.00 0.00 H new ATOM 0 HB THR A 8 1.895 7.649 6.511 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.567 6.576 4.926 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.119 8.781 5.625 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.185 9.949 5.947 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.842 9.437 4.278 1.00 0.00 H new ATOM 149 N GLY A 9 4.155 6.254 4.408 1.00 0.00 N ATOM 150 CA GLY A 9 5.086 5.095 4.537 1.00 0.00 C ATOM 151 C GLY A 9 4.283 3.813 4.807 1.00 0.00 C ATOM 152 O GLY A 9 4.801 2.718 4.692 1.00 0.00 O ATOM 0 H GLY A 9 3.458 6.168 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.672 4.983 3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.791 5.272 5.349 1.00 0.00 H new ATOM 156 N TYR A 10 3.019 3.936 5.158 1.00 0.00 N ATOM 157 CA TYR A 10 2.176 2.719 5.427 1.00 0.00 C ATOM 158 C TYR A 10 2.267 1.749 4.229 1.00 0.00 C ATOM 159 O TYR A 10 2.302 2.167 3.087 1.00 0.00 O ATOM 160 CB TYR A 10 0.753 3.292 5.633 1.00 0.00 C ATOM 161 CG TYR A 10 -0.317 2.251 5.386 1.00 0.00 C ATOM 162 CD1 TYR A 10 -0.737 1.407 6.421 1.00 0.00 C ATOM 163 CD2 TYR A 10 -0.890 2.142 4.117 1.00 0.00 C ATOM 164 CE1 TYR A 10 -1.735 0.453 6.181 1.00 0.00 C ATOM 165 CE2 TYR A 10 -1.883 1.190 3.875 1.00 0.00 C ATOM 166 CZ TYR A 10 -2.308 0.344 4.907 1.00 0.00 C ATOM 167 OH TYR A 10 -3.290 -0.595 4.669 1.00 0.00 O ATOM 0 H TYR A 10 2.535 4.827 5.270 1.00 0.00 H new ATOM 0 HA TYR A 10 2.493 2.138 6.293 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.659 3.674 6.649 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.601 4.136 4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.293 1.491 7.402 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.565 2.795 3.321 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.062 -0.198 6.978 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.323 1.106 2.892 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.410 -1.152 5.466 1.00 0.00 H new ATOM 177 N ILE A 11 2.330 0.464 4.491 1.00 0.00 N ATOM 178 CA ILE A 11 2.448 -0.527 3.372 1.00 0.00 C ATOM 179 C ILE A 11 1.308 -1.549 3.410 1.00 0.00 C ATOM 180 O ILE A 11 1.164 -2.283 4.371 1.00 0.00 O ATOM 181 CB ILE A 11 3.775 -1.271 3.601 1.00 0.00 C ATOM 182 CG1 ILE A 11 4.928 -0.289 3.882 1.00 0.00 C ATOM 183 CG2 ILE A 11 4.106 -2.112 2.365 1.00 0.00 C ATOM 184 CD1 ILE A 11 5.103 0.679 2.711 1.00 0.00 C ATOM 0 H ILE A 11 2.305 0.060 5.427 1.00 0.00 H new ATOM 0 HA ILE A 11 2.407 -0.015 2.411 1.00 0.00 H new ATOM 0 HB ILE A 11 3.660 -1.915 4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.724 0.269 4.796 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.853 -0.842 4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.046 -2.640 2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.309 -2.835 2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.199 -1.461 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.922 1.366 2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.329 0.117 1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.183 1.245 2.566 1.00 0.00 H new ATOM 196 N TYR A 12 0.531 -1.642 2.357 1.00 0.00 N ATOM 197 CA TYR A 12 -0.556 -2.667 2.326 1.00 0.00 C ATOM 198 C TYR A 12 0.055 -3.974 1.817 1.00 0.00 C ATOM 199 O TYR A 12 0.433 -4.084 0.665 1.00 0.00 O ATOM 200 CB TYR A 12 -1.632 -2.124 1.362 1.00 0.00 C ATOM 201 CG TYR A 12 -2.600 -3.228 0.947 1.00 0.00 C ATOM 202 CD1 TYR A 12 -3.553 -3.704 1.859 1.00 0.00 C ATOM 203 CD2 TYR A 12 -2.541 -3.772 -0.351 1.00 0.00 C ATOM 204 CE1 TYR A 12 -4.444 -4.718 1.478 1.00 0.00 C ATOM 205 CE2 TYR A 12 -3.438 -4.785 -0.725 1.00 0.00 C ATOM 206 CZ TYR A 12 -4.386 -5.254 0.191 1.00 0.00 C ATOM 207 OH TYR A 12 -5.270 -6.246 -0.174 1.00 0.00 O ATOM 0 H TYR A 12 0.603 -1.057 1.525 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.003 -2.858 3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.182 -1.315 1.843 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.154 -1.703 0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.601 -3.290 2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.808 -3.411 -1.057 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.176 -5.085 2.182 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.396 -5.202 -1.720 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.254 -6.356 -1.148 1.00 0.00 H new ATOM 217 N ASP A 13 0.159 -4.957 2.668 1.00 0.00 N ATOM 218 CA ASP A 13 0.753 -6.254 2.238 1.00 0.00 C ATOM 219 C ASP A 13 -0.293 -7.063 1.472 1.00 0.00 C ATOM 220 O ASP A 13 -0.938 -7.940 2.007 1.00 0.00 O ATOM 221 CB ASP A 13 1.175 -6.962 3.532 1.00 0.00 C ATOM 222 CG ASP A 13 -0.032 -7.147 4.460 1.00 0.00 C ATOM 223 OD1 ASP A 13 -0.641 -6.151 4.815 1.00 0.00 O ATOM 224 OD2 ASP A 13 -0.323 -8.279 4.800 1.00 0.00 O ATOM 0 H ASP A 13 -0.141 -4.918 3.642 1.00 0.00 H new ATOM 0 HA ASP A 13 1.606 -6.127 1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.613 -7.932 3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.945 -6.379 4.038 1.00 0.00 H new ATOM 229 N GLU A 14 -0.458 -6.759 0.210 1.00 0.00 N ATOM 230 CA GLU A 14 -1.463 -7.484 -0.633 1.00 0.00 C ATOM 231 C GLU A 14 -1.237 -9.000 -0.573 1.00 0.00 C ATOM 232 O GLU A 14 -2.146 -9.771 -0.821 1.00 0.00 O ATOM 233 CB GLU A 14 -1.249 -6.944 -2.055 1.00 0.00 C ATOM 234 CG GLU A 14 -2.280 -7.546 -2.998 1.00 0.00 C ATOM 235 CD GLU A 14 -1.623 -7.891 -4.338 1.00 0.00 C ATOM 236 OE1 GLU A 14 -1.070 -6.993 -4.952 1.00 0.00 O ATOM 237 OE2 GLU A 14 -1.682 -9.046 -4.726 1.00 0.00 O ATOM 0 H GLU A 14 0.065 -6.033 -0.279 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.484 -7.321 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.332 -5.857 -2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.243 -7.187 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.712 -8.443 -2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.097 -6.842 -3.154 1.00 0.00 H new ATOM 244 N ASP A 15 -0.052 -9.438 -0.214 1.00 0.00 N ATOM 245 CA ASP A 15 0.196 -10.909 -0.106 1.00 0.00 C ATOM 246 C ASP A 15 -0.713 -11.483 0.986 1.00 0.00 C ATOM 247 O ASP A 15 -1.123 -12.627 0.935 1.00 0.00 O ATOM 248 CB ASP A 15 1.669 -11.048 0.290 1.00 0.00 C ATOM 249 CG ASP A 15 2.268 -12.279 -0.391 1.00 0.00 C ATOM 250 OD1 ASP A 15 2.566 -12.192 -1.571 1.00 0.00 O ATOM 251 OD2 ASP A 15 2.420 -13.288 0.278 1.00 0.00 O ATOM 0 H ASP A 15 0.747 -8.844 0.007 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.013 -11.443 -1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.220 -10.154 -0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.758 -11.139 1.373 1.00 0.00 H new ATOM 256 N ALA A 16 -1.041 -10.674 1.963 1.00 0.00 N ATOM 257 CA ALA A 16 -1.935 -11.128 3.066 1.00 0.00 C ATOM 258 C ALA A 16 -3.227 -10.310 3.041 1.00 0.00 C ATOM 259 O ALA A 16 -4.310 -10.837 3.188 1.00 0.00 O ATOM 260 CB ALA A 16 -1.154 -10.847 4.352 1.00 0.00 C ATOM 0 H ALA A 16 -0.722 -9.708 2.042 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.208 -12.180 2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.748 -11.155 5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.218 -11.405 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.940 -9.781 4.422 1.00 0.00 H new ATOM 266 N GLY A 17 -3.111 -9.020 2.855 1.00 0.00 N ATOM 267 CA GLY A 17 -4.318 -8.148 2.817 1.00 0.00 C ATOM 268 C GLY A 17 -4.153 -6.999 3.810 1.00 0.00 C ATOM 269 O GLY A 17 -3.378 -6.088 3.596 1.00 0.00 O ATOM 0 H GLY A 17 -2.224 -8.532 2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.463 -7.754 1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.207 -8.729 3.063 1.00 0.00 H new ATOM 273 N ASP A 18 -4.885 -7.033 4.898 1.00 0.00 N ATOM 274 CA ASP A 18 -4.798 -5.945 5.931 1.00 0.00 C ATOM 275 C ASP A 18 -5.880 -6.167 7.003 1.00 0.00 C ATOM 276 O ASP A 18 -6.995 -5.712 6.845 1.00 0.00 O ATOM 277 CB ASP A 18 -5.059 -4.613 5.198 1.00 0.00 C ATOM 278 CG ASP A 18 -3.849 -3.690 5.356 1.00 0.00 C ATOM 279 OD1 ASP A 18 -2.776 -4.069 4.914 1.00 0.00 O ATOM 280 OD2 ASP A 18 -4.015 -2.619 5.917 1.00 0.00 O ATOM 0 H ASP A 18 -5.548 -7.776 5.119 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.824 -5.940 6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.250 -4.800 4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.950 -4.133 5.603 1.00 0.00 H new ATOM 285 N PRO A 19 -5.523 -6.850 8.066 1.00 0.00 N ATOM 286 CA PRO A 19 -6.499 -7.105 9.155 1.00 0.00 C ATOM 287 C PRO A 19 -6.871 -5.795 9.869 1.00 0.00 C ATOM 288 O PRO A 19 -7.840 -5.739 10.601 1.00 0.00 O ATOM 289 CB PRO A 19 -5.755 -8.060 10.089 1.00 0.00 C ATOM 290 CG PRO A 19 -4.308 -7.808 9.816 1.00 0.00 C ATOM 291 CD PRO A 19 -4.208 -7.440 8.360 1.00 0.00 C ATOM 0 HA PRO A 19 -7.441 -7.522 8.798 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.001 -7.864 11.133 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.021 -9.098 9.888 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.928 -7.004 10.447 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.712 -8.694 10.035 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.400 -6.731 8.179 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.011 -8.313 7.738 1.00 0.00 H new ATOM 299 N ASP A 20 -6.115 -4.741 9.655 1.00 0.00 N ATOM 300 CA ASP A 20 -6.434 -3.438 10.313 1.00 0.00 C ATOM 301 C ASP A 20 -7.559 -2.725 9.553 1.00 0.00 C ATOM 302 O ASP A 20 -8.433 -2.122 10.147 1.00 0.00 O ATOM 303 CB ASP A 20 -5.140 -2.626 10.240 1.00 0.00 C ATOM 304 CG ASP A 20 -4.251 -2.969 11.437 1.00 0.00 C ATOM 305 OD1 ASP A 20 -4.650 -2.671 12.551 1.00 0.00 O ATOM 306 OD2 ASP A 20 -3.185 -3.521 11.219 1.00 0.00 O ATOM 0 H ASP A 20 -5.292 -4.731 9.053 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.774 -3.567 11.340 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.615 -2.843 9.310 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.367 -1.560 10.237 1.00 0.00 H new ATOM 311 N ASN A 21 -7.541 -2.794 8.244 1.00 0.00 N ATOM 312 CA ASN A 21 -8.608 -2.127 7.437 1.00 0.00 C ATOM 313 C ASN A 21 -9.754 -3.104 7.153 1.00 0.00 C ATOM 314 O ASN A 21 -10.545 -2.889 6.253 1.00 0.00 O ATOM 315 CB ASN A 21 -7.919 -1.713 6.126 1.00 0.00 C ATOM 316 CG ASN A 21 -7.289 -0.330 6.299 1.00 0.00 C ATOM 317 OD1 ASN A 21 -7.984 0.663 6.370 1.00 0.00 O ATOM 318 ND2 ASN A 21 -5.990 -0.224 6.368 1.00 0.00 N ATOM 0 H ASN A 21 -6.832 -3.285 7.700 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.042 -1.274 7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.155 -2.442 5.858 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.643 -1.696 5.311 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.558 0.693 6.482 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.406 -1.058 6.308 1.00 0.00 H new ATOM 325 N GLY A 22 -9.847 -4.190 7.898 1.00 0.00 N ATOM 326 CA GLY A 22 -10.940 -5.189 7.648 1.00 0.00 C ATOM 327 C GLY A 22 -10.870 -5.623 6.184 1.00 0.00 C ATOM 328 O GLY A 22 -11.747 -5.325 5.395 1.00 0.00 O ATOM 0 H GLY A 22 -9.215 -4.424 8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.824 -6.051 8.305 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.913 -4.750 7.867 1.00 0.00 H new ATOM 332 N ILE A 23 -9.802 -6.278 5.810 1.00 0.00 N ATOM 333 CA ILE A 23 -9.635 -6.680 4.384 1.00 0.00 C ATOM 334 C ILE A 23 -9.659 -8.196 4.212 1.00 0.00 C ATOM 335 O ILE A 23 -9.526 -8.952 5.155 1.00 0.00 O ATOM 336 CB ILE A 23 -8.264 -6.119 3.980 1.00 0.00 C ATOM 337 CG1 ILE A 23 -8.193 -4.611 4.282 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.031 -6.345 2.486 1.00 0.00 C ATOM 339 CD1 ILE A 23 -9.341 -3.867 3.592 1.00 0.00 C ATOM 0 H ILE A 23 -9.040 -6.551 6.430 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.449 -6.299 3.767 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.495 -6.636 4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.242 -4.448 5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.238 -4.211 3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.057 -5.945 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.060 -7.413 2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.809 -5.838 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.273 -2.803 3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.274 -4.014 2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.294 -4.254 3.952 1.00 0.00 H new ATOM 351 N SER A 24 -9.817 -8.631 2.992 1.00 0.00 N ATOM 352 CA SER A 24 -9.843 -10.091 2.696 1.00 0.00 C ATOM 353 C SER A 24 -8.407 -10.640 2.672 1.00 0.00 C ATOM 354 O SER A 24 -7.488 -9.927 2.320 1.00 0.00 O ATOM 355 CB SER A 24 -10.482 -10.192 1.309 1.00 0.00 C ATOM 356 OG SER A 24 -11.842 -10.585 1.445 1.00 0.00 O ATOM 0 H SER A 24 -9.931 -8.028 2.177 1.00 0.00 H new ATOM 0 HA SER A 24 -10.393 -10.665 3.441 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.418 -9.232 0.796 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.942 -10.916 0.699 1.00 0.00 H new ATOM 0 HG SER A 24 -12.254 -10.649 0.558 1.00 0.00 H new ATOM 362 N PRO A 25 -8.246 -11.891 3.050 1.00 0.00 N ATOM 363 CA PRO A 25 -6.891 -12.502 3.063 1.00 0.00 C ATOM 364 C PRO A 25 -6.394 -12.750 1.633 1.00 0.00 C ATOM 365 O PRO A 25 -6.846 -13.663 0.966 1.00 0.00 O ATOM 366 CB PRO A 25 -7.099 -13.822 3.801 1.00 0.00 C ATOM 367 CG PRO A 25 -8.545 -14.151 3.609 1.00 0.00 C ATOM 368 CD PRO A 25 -9.280 -12.842 3.492 1.00 0.00 C ATOM 0 HA PRO A 25 -6.143 -11.866 3.536 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.459 -14.606 3.395 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.854 -13.725 4.859 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.688 -14.755 2.713 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.924 -14.733 4.450 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.097 -12.906 2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.716 -12.543 4.445 1.00 0.00 H new ATOM 376 N GLY A 26 -5.473 -11.943 1.153 1.00 0.00 N ATOM 377 CA GLY A 26 -4.961 -12.137 -0.235 1.00 0.00 C ATOM 378 C GLY A 26 -5.832 -11.328 -1.191 1.00 0.00 C ATOM 379 O GLY A 26 -6.486 -11.867 -2.063 1.00 0.00 O ATOM 0 H GLY A 26 -5.059 -11.163 1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.922 -11.814 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.985 -13.193 -0.503 1.00 0.00 H new ATOM 383 N THR A 27 -5.849 -10.036 -1.015 1.00 0.00 N ATOM 384 CA THR A 27 -6.680 -9.161 -1.883 1.00 0.00 C ATOM 385 C THR A 27 -5.778 -8.223 -2.691 1.00 0.00 C ATOM 386 O THR A 27 -4.868 -7.624 -2.162 1.00 0.00 O ATOM 387 CB THR A 27 -7.555 -8.388 -0.884 1.00 0.00 C ATOM 388 OG1 THR A 27 -8.518 -9.272 -0.336 1.00 0.00 O ATOM 389 CG2 THR A 27 -8.273 -7.222 -1.569 1.00 0.00 C ATOM 0 H THR A 27 -5.315 -9.545 -0.298 1.00 0.00 H new ATOM 0 HA THR A 27 -7.278 -9.706 -2.614 1.00 0.00 H new ATOM 0 HB THR A 27 -6.916 -7.985 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.175 -9.507 -1.024 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.885 -6.692 -0.839 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.536 -6.538 -1.990 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.910 -7.605 -2.367 1.00 0.00 H new ATOM 397 N LYS A 28 -6.034 -8.095 -3.967 1.00 0.00 N ATOM 398 CA LYS A 28 -5.205 -7.201 -4.817 1.00 0.00 C ATOM 399 C LYS A 28 -5.590 -5.734 -4.581 1.00 0.00 C ATOM 400 O LYS A 28 -6.743 -5.369 -4.712 1.00 0.00 O ATOM 401 CB LYS A 28 -5.517 -7.615 -6.257 1.00 0.00 C ATOM 402 CG LYS A 28 -4.568 -8.737 -6.684 1.00 0.00 C ATOM 403 CD LYS A 28 -4.976 -10.044 -6.001 1.00 0.00 C ATOM 404 CE LYS A 28 -4.174 -11.205 -6.595 1.00 0.00 C ATOM 405 NZ LYS A 28 -5.081 -11.820 -7.604 1.00 0.00 N ATOM 0 H LYS A 28 -6.788 -8.577 -4.457 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.142 -7.289 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.551 -7.950 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.409 -6.760 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.595 -8.857 -7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.543 -8.481 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.797 -9.977 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.043 -10.219 -6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.251 -10.853 -7.056 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.892 -11.925 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.602 -12.625 -8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.948 -12.152 -7.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.327 -11.113 -8.326 1.00 0.00 H new ATOM 419 N PHE A 29 -4.638 -4.889 -4.232 1.00 0.00 N ATOM 420 CA PHE A 29 -4.946 -3.428 -3.988 1.00 0.00 C ATOM 421 C PHE A 29 -5.843 -2.858 -5.096 1.00 0.00 C ATOM 422 O PHE A 29 -6.788 -2.139 -4.824 1.00 0.00 O ATOM 423 CB PHE A 29 -3.571 -2.736 -4.002 1.00 0.00 C ATOM 424 CG PHE A 29 -3.687 -1.257 -3.659 1.00 0.00 C ATOM 425 CD1 PHE A 29 -4.331 -0.366 -4.537 1.00 0.00 C ATOM 426 CD2 PHE A 29 -3.132 -0.773 -2.463 1.00 0.00 C ATOM 427 CE1 PHE A 29 -4.418 0.995 -4.217 1.00 0.00 C ATOM 428 CE2 PHE A 29 -3.222 0.592 -2.150 1.00 0.00 C ATOM 429 CZ PHE A 29 -3.864 1.472 -3.027 1.00 0.00 C ATOM 0 H PHE A 29 -3.659 -5.146 -4.105 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.484 -3.276 -3.052 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.909 -3.225 -3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.116 -2.848 -4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.759 -0.732 -5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.636 -1.451 -1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.914 1.677 -4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.795 0.964 -1.230 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.931 2.522 -2.784 1.00 0.00 H new ATOM 439 N GLU A 30 -5.561 -3.171 -6.341 1.00 0.00 N ATOM 440 CA GLU A 30 -6.408 -2.644 -7.463 1.00 0.00 C ATOM 441 C GLU A 30 -7.890 -2.955 -7.199 1.00 0.00 C ATOM 442 O GLU A 30 -8.772 -2.262 -7.667 1.00 0.00 O ATOM 443 CB GLU A 30 -5.913 -3.360 -8.726 1.00 0.00 C ATOM 444 CG GLU A 30 -6.066 -4.878 -8.564 1.00 0.00 C ATOM 445 CD GLU A 30 -4.793 -5.583 -9.040 1.00 0.00 C ATOM 446 OE1 GLU A 30 -3.728 -5.227 -8.561 1.00 0.00 O ATOM 447 OE2 GLU A 30 -4.905 -6.465 -9.874 1.00 0.00 O ATOM 0 H GLU A 30 -4.784 -3.766 -6.628 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.326 -1.562 -7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.480 -3.020 -9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.868 -3.109 -8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.259 -5.124 -7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.923 -5.229 -9.138 1.00 0.00 H new ATOM 454 N GLU A 31 -8.156 -3.986 -6.433 1.00 0.00 N ATOM 455 CA GLU A 31 -9.564 -4.340 -6.110 1.00 0.00 C ATOM 456 C GLU A 31 -9.883 -3.890 -4.672 1.00 0.00 C ATOM 457 O GLU A 31 -10.358 -2.791 -4.463 1.00 0.00 O ATOM 458 CB GLU A 31 -9.639 -5.865 -6.270 1.00 0.00 C ATOM 459 CG GLU A 31 -11.028 -6.365 -5.862 1.00 0.00 C ATOM 460 CD GLU A 31 -11.420 -7.559 -6.734 1.00 0.00 C ATOM 461 OE1 GLU A 31 -10.584 -8.426 -6.928 1.00 0.00 O ATOM 462 OE2 GLU A 31 -12.550 -7.586 -7.195 1.00 0.00 O ATOM 0 H GLU A 31 -7.452 -4.597 -6.019 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.293 -3.851 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.433 -6.141 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.876 -6.342 -5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.027 -6.654 -4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.760 -5.565 -5.972 1.00 0.00 H new ATOM 469 N LEU A 32 -9.615 -4.716 -3.676 1.00 0.00 N ATOM 470 CA LEU A 32 -9.900 -4.325 -2.251 1.00 0.00 C ATOM 471 C LEU A 32 -11.368 -3.846 -2.115 1.00 0.00 C ATOM 472 O LEU A 32 -12.096 -3.836 -3.089 1.00 0.00 O ATOM 473 CB LEU A 32 -8.896 -3.196 -1.950 1.00 0.00 C ATOM 474 CG LEU A 32 -7.680 -3.741 -1.187 1.00 0.00 C ATOM 475 CD1 LEU A 32 -6.673 -2.613 -0.982 1.00 0.00 C ATOM 476 CD2 LEU A 32 -8.086 -4.292 0.183 1.00 0.00 C ATOM 0 H LEU A 32 -9.210 -5.645 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.788 -5.152 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.570 -2.734 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.382 -2.418 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.243 -4.550 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.807 -2.993 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.355 -2.228 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.137 -1.811 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.204 -4.671 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.539 -3.497 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.804 -5.101 0.051 1.00 0.00 H new ATOM 488 N PRO A 33 -11.777 -3.476 -0.918 1.00 0.00 N ATOM 489 CA PRO A 33 -13.167 -3.015 -0.720 1.00 0.00 C ATOM 490 C PRO A 33 -13.278 -1.534 -1.082 1.00 0.00 C ATOM 491 O PRO A 33 -12.409 -0.984 -1.733 1.00 0.00 O ATOM 492 CB PRO A 33 -13.411 -3.238 0.769 1.00 0.00 C ATOM 493 CG PRO A 33 -12.058 -3.202 1.410 1.00 0.00 C ATOM 494 CD PRO A 33 -11.020 -3.449 0.339 1.00 0.00 C ATOM 0 HA PRO A 33 -13.893 -3.539 -1.341 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.060 -2.464 1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.903 -4.194 0.946 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.889 -2.237 1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.987 -3.960 2.190 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.266 -2.662 0.330 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.496 -4.390 0.506 1.00 0.00 H new ATOM 502 N ASP A 34 -14.337 -0.889 -0.671 1.00 0.00 N ATOM 503 CA ASP A 34 -14.505 0.558 -0.995 1.00 0.00 C ATOM 504 C ASP A 34 -13.958 1.428 0.140 1.00 0.00 C ATOM 505 O ASP A 34 -13.802 0.984 1.260 1.00 0.00 O ATOM 506 CB ASP A 34 -16.013 0.759 -1.147 1.00 0.00 C ATOM 507 CG ASP A 34 -16.519 -0.062 -2.334 1.00 0.00 C ATOM 508 OD1 ASP A 34 -16.467 0.443 -3.443 1.00 0.00 O ATOM 509 OD2 ASP A 34 -16.951 -1.182 -2.114 1.00 0.00 O ATOM 0 H ASP A 34 -15.093 -1.301 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.963 0.841 -1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.525 0.453 -0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.237 1.815 -1.300 1.00 0.00 H new ATOM 514 N ASP A 35 -13.673 2.673 -0.151 1.00 0.00 N ATOM 515 CA ASP A 35 -13.139 3.612 0.888 1.00 0.00 C ATOM 516 C ASP A 35 -11.832 3.092 1.503 1.00 0.00 C ATOM 517 O ASP A 35 -11.420 3.555 2.551 1.00 0.00 O ATOM 518 CB ASP A 35 -14.232 3.716 1.959 1.00 0.00 C ATOM 519 CG ASP A 35 -13.943 4.911 2.869 1.00 0.00 C ATOM 520 OD1 ASP A 35 -13.679 5.980 2.343 1.00 0.00 O ATOM 521 OD2 ASP A 35 -13.990 4.738 4.076 1.00 0.00 O ATOM 0 H ASP A 35 -13.789 3.086 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.904 4.582 0.450 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.208 3.832 1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.269 2.799 2.546 1.00 0.00 H new ATOM 526 N TRP A 36 -11.169 2.153 0.867 1.00 0.00 N ATOM 527 CA TRP A 36 -9.883 1.642 1.437 1.00 0.00 C ATOM 528 C TRP A 36 -8.843 2.767 1.432 1.00 0.00 C ATOM 529 O TRP A 36 -8.418 3.221 0.387 1.00 0.00 O ATOM 530 CB TRP A 36 -9.442 0.501 0.516 1.00 0.00 C ATOM 531 CG TRP A 36 -8.236 -0.165 1.102 1.00 0.00 C ATOM 532 CD1 TRP A 36 -8.261 -1.264 1.892 1.00 0.00 C ATOM 533 CD2 TRP A 36 -6.833 0.204 0.961 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.968 -1.584 2.253 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.054 -0.712 1.705 1.00 0.00 C ATOM 536 CE3 TRP A 36 -6.167 1.234 0.271 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -4.668 -0.615 1.765 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.767 1.333 0.327 1.00 0.00 C ATOM 539 CH2 TRP A 36 -4.021 0.411 1.075 1.00 0.00 C ATOM 0 H TRP A 36 -11.460 1.724 -0.011 1.00 0.00 H new ATOM 0 HA TRP A 36 -9.995 1.297 2.465 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -10.250 -0.221 0.399 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -9.213 0.887 -0.477 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.148 -1.803 2.191 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.720 -2.371 2.853 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.734 1.951 -0.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.097 -1.328 2.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.263 2.123 -0.209 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.945 0.495 1.117 1.00 0.00 H new ATOM 550 N VAL A 37 -8.442 3.230 2.591 1.00 0.00 N ATOM 551 CA VAL A 37 -7.436 4.339 2.653 1.00 0.00 C ATOM 552 C VAL A 37 -6.536 4.167 3.890 1.00 0.00 C ATOM 553 O VAL A 37 -6.278 3.059 4.320 1.00 0.00 O ATOM 554 CB VAL A 37 -8.273 5.627 2.732 1.00 0.00 C ATOM 555 CG1 VAL A 37 -9.168 5.737 1.495 1.00 0.00 C ATOM 556 CG2 VAL A 37 -9.148 5.601 3.990 1.00 0.00 C ATOM 0 H VAL A 37 -8.767 2.889 3.496 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.768 4.354 1.792 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.602 6.485 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.760 6.651 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.548 5.763 0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.834 4.875 1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.739 6.516 4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.815 4.740 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.513 5.529 4.873 1.00 0.00 H new ATOM 566 N ALA A 38 -6.055 5.249 4.465 1.00 0.00 N ATOM 567 CA ALA A 38 -5.176 5.136 5.669 1.00 0.00 C ATOM 568 C ALA A 38 -4.958 6.518 6.318 1.00 0.00 C ATOM 569 O ALA A 38 -5.324 6.709 7.461 1.00 0.00 O ATOM 570 CB ALA A 38 -3.853 4.555 5.158 1.00 0.00 C ATOM 0 H ALA A 38 -6.235 6.202 4.150 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.621 4.503 6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.158 4.445 5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.034 3.580 4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.424 5.226 4.414 1.00 0.00 H new ATOM 576 N PRO A 39 -4.372 7.449 5.585 1.00 0.00 N ATOM 577 CA PRO A 39 -4.133 8.803 6.155 1.00 0.00 C ATOM 578 C PRO A 39 -5.456 9.559 6.314 1.00 0.00 C ATOM 579 O PRO A 39 -6.521 8.973 6.275 1.00 0.00 O ATOM 580 CB PRO A 39 -3.233 9.479 5.121 1.00 0.00 C ATOM 581 CG PRO A 39 -3.521 8.769 3.839 1.00 0.00 C ATOM 582 CD PRO A 39 -3.882 7.352 4.195 1.00 0.00 C ATOM 0 HA PRO A 39 -3.681 8.776 7.147 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.453 10.544 5.041 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.182 9.391 5.394 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.339 9.253 3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.652 8.792 3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.648 6.955 3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.020 6.689 4.121 1.00 0.00 H new ATOM 590 N ILE A 40 -5.393 10.855 6.499 1.00 0.00 N ATOM 591 CA ILE A 40 -6.645 11.654 6.669 1.00 0.00 C ATOM 592 C ILE A 40 -6.846 12.599 5.476 1.00 0.00 C ATOM 593 O ILE A 40 -7.959 12.972 5.155 1.00 0.00 O ATOM 594 CB ILE A 40 -6.437 12.436 7.971 1.00 0.00 C ATOM 595 CG1 ILE A 40 -7.679 13.279 8.268 1.00 0.00 C ATOM 596 CG2 ILE A 40 -5.218 13.355 7.850 1.00 0.00 C ATOM 597 CD1 ILE A 40 -7.672 13.691 9.740 1.00 0.00 C ATOM 0 H ILE A 40 -4.528 11.394 6.540 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.536 11.028 6.713 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.270 11.728 8.782 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.693 14.164 7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.581 12.710 8.042 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.082 13.904 8.782 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.330 12.756 7.649 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.373 14.060 7.033 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.556 14.292 9.954 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.679 12.800 10.367 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.776 14.276 9.950 1.00 0.00 H new ATOM 609 N THR A 41 -5.780 12.986 4.819 1.00 0.00 N ATOM 610 CA THR A 41 -5.910 13.905 3.643 1.00 0.00 C ATOM 611 C THR A 41 -6.776 13.251 2.561 1.00 0.00 C ATOM 612 O THR A 41 -6.287 12.506 1.733 1.00 0.00 O ATOM 613 CB THR A 41 -4.482 14.112 3.129 1.00 0.00 C ATOM 614 OG1 THR A 41 -3.857 12.848 2.956 1.00 0.00 O ATOM 615 CG2 THR A 41 -3.689 14.941 4.140 1.00 0.00 C ATOM 0 H THR A 41 -4.826 12.706 5.045 1.00 0.00 H new ATOM 0 HA THR A 41 -6.384 14.849 3.911 1.00 0.00 H new ATOM 0 HB THR A 41 -4.511 14.638 2.175 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.403 12.292 2.362 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.673 15.088 3.773 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.170 15.910 4.273 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.658 14.417 5.095 1.00 0.00 H new ATOM 623 N GLY A 42 -8.059 13.519 2.570 1.00 0.00 N ATOM 624 CA GLY A 42 -8.964 12.906 1.550 1.00 0.00 C ATOM 625 C GLY A 42 -8.959 11.387 1.732 1.00 0.00 C ATOM 626 O GLY A 42 -8.318 10.872 2.629 1.00 0.00 O ATOM 0 H GLY A 42 -8.518 14.136 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.976 13.296 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.631 13.166 0.545 1.00 0.00 H new ATOM 630 N ALA A 43 -9.660 10.667 0.892 1.00 0.00 N ATOM 631 CA ALA A 43 -9.682 9.179 1.030 1.00 0.00 C ATOM 632 C ALA A 43 -9.814 8.493 -0.343 1.00 0.00 C ATOM 633 O ALA A 43 -10.775 7.789 -0.583 1.00 0.00 O ATOM 634 CB ALA A 43 -10.904 8.886 1.902 1.00 0.00 C ATOM 0 H ALA A 43 -10.214 11.042 0.122 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.759 8.799 1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.994 7.810 2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.789 9.380 2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.801 9.259 1.408 1.00 0.00 H new ATOM 640 N PRO A 44 -8.842 8.702 -1.207 1.00 0.00 N ATOM 641 CA PRO A 44 -8.871 8.078 -2.539 1.00 0.00 C ATOM 642 C PRO A 44 -8.042 6.793 -2.512 1.00 0.00 C ATOM 643 O PRO A 44 -6.857 6.829 -2.238 1.00 0.00 O ATOM 644 CB PRO A 44 -8.195 9.129 -3.414 1.00 0.00 C ATOM 645 CG PRO A 44 -7.311 9.924 -2.487 1.00 0.00 C ATOM 646 CD PRO A 44 -7.637 9.524 -1.064 1.00 0.00 C ATOM 0 HA PRO A 44 -9.868 7.807 -2.886 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.611 8.662 -4.207 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.933 9.770 -3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.261 9.731 -2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.475 10.992 -2.629 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.821 8.964 -0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.818 10.395 -0.434 1.00 0.00 H new ATOM 654 N LYS A 45 -8.641 5.657 -2.791 1.00 0.00 N ATOM 655 CA LYS A 45 -7.857 4.381 -2.769 1.00 0.00 C ATOM 656 C LYS A 45 -6.669 4.482 -3.741 1.00 0.00 C ATOM 657 O LYS A 45 -5.618 3.915 -3.513 1.00 0.00 O ATOM 658 CB LYS A 45 -8.847 3.272 -3.175 1.00 0.00 C ATOM 659 CG LYS A 45 -9.217 3.378 -4.661 1.00 0.00 C ATOM 660 CD LYS A 45 -8.220 2.562 -5.490 1.00 0.00 C ATOM 661 CE LYS A 45 -8.936 1.942 -6.696 1.00 0.00 C ATOM 662 NZ LYS A 45 -8.531 0.509 -6.696 1.00 0.00 N ATOM 0 H LYS A 45 -9.628 5.560 -3.030 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.433 4.168 -1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.406 2.295 -2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.748 3.344 -2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.230 3.009 -4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.203 4.421 -4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.404 3.201 -5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.777 1.778 -4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.017 2.046 -6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.643 2.434 -7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.061 -0.001 -7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.512 0.436 -6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.737 0.090 -5.767 1.00 0.00 H new ATOM 676 N SER A 46 -6.831 5.225 -4.808 1.00 0.00 N ATOM 677 CA SER A 46 -5.719 5.400 -5.790 1.00 0.00 C ATOM 678 C SER A 46 -4.728 6.462 -5.288 1.00 0.00 C ATOM 679 O SER A 46 -4.430 7.416 -5.981 1.00 0.00 O ATOM 680 CB SER A 46 -6.398 5.862 -7.080 1.00 0.00 C ATOM 681 OG SER A 46 -7.207 6.998 -6.804 1.00 0.00 O ATOM 0 H SER A 46 -7.692 5.720 -5.041 1.00 0.00 H new ATOM 0 HA SER A 46 -5.150 4.482 -5.937 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.648 6.109 -7.831 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.008 5.058 -7.492 1.00 0.00 H new ATOM 0 HG SER A 46 -7.642 7.298 -7.629 1.00 0.00 H new ATOM 687 N GLU A 47 -4.218 6.305 -4.090 1.00 0.00 N ATOM 688 CA GLU A 47 -3.250 7.302 -3.543 1.00 0.00 C ATOM 689 C GLU A 47 -2.037 6.576 -2.959 1.00 0.00 C ATOM 690 O GLU A 47 -1.427 7.030 -2.009 1.00 0.00 O ATOM 691 CB GLU A 47 -4.016 8.043 -2.446 1.00 0.00 C ATOM 692 CG GLU A 47 -3.443 9.454 -2.287 1.00 0.00 C ATOM 693 CD GLU A 47 -3.978 10.080 -0.997 1.00 0.00 C ATOM 694 OE1 GLU A 47 -3.346 9.900 0.031 1.00 0.00 O ATOM 695 OE2 GLU A 47 -5.010 10.727 -1.060 1.00 0.00 O ATOM 0 H GLU A 47 -4.432 5.526 -3.467 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.879 7.987 -4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.075 8.095 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.940 7.500 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.354 9.415 -2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.719 10.069 -3.144 1.00 0.00 H new ATOM 702 N PHE A 48 -1.695 5.444 -3.519 1.00 0.00 N ATOM 703 CA PHE A 48 -0.531 4.665 -3.007 1.00 0.00 C ATOM 704 C PHE A 48 0.525 4.490 -4.105 1.00 0.00 C ATOM 705 O PHE A 48 0.469 5.125 -5.141 1.00 0.00 O ATOM 706 CB PHE A 48 -1.111 3.304 -2.629 1.00 0.00 C ATOM 707 CG PHE A 48 -1.555 3.301 -1.196 1.00 0.00 C ATOM 708 CD1 PHE A 48 -2.561 4.165 -0.754 1.00 0.00 C ATOM 709 CD2 PHE A 48 -0.959 2.409 -0.311 1.00 0.00 C ATOM 710 CE1 PHE A 48 -2.966 4.131 0.586 1.00 0.00 C ATOM 711 CE2 PHE A 48 -1.354 2.374 1.016 1.00 0.00 C ATOM 712 CZ PHE A 48 -2.361 3.234 1.474 1.00 0.00 C ATOM 0 H PHE A 48 -2.176 5.024 -4.314 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.044 5.164 -2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.955 3.069 -3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.363 2.527 -2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.024 4.856 -1.443 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.185 1.741 -0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.743 4.795 0.934 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.885 1.682 1.700 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.669 3.205 2.509 1.00 0.00 H new ATOM 722 N GLU A 49 1.476 3.617 -3.884 1.00 0.00 N ATOM 723 CA GLU A 49 2.533 3.369 -4.896 1.00 0.00 C ATOM 724 C GLU A 49 3.196 2.013 -4.631 1.00 0.00 C ATOM 725 O GLU A 49 3.872 1.829 -3.636 1.00 0.00 O ATOM 726 CB GLU A 49 3.536 4.510 -4.721 1.00 0.00 C ATOM 727 CG GLU A 49 4.454 4.577 -5.943 1.00 0.00 C ATOM 728 CD GLU A 49 3.763 5.364 -7.059 1.00 0.00 C ATOM 729 OE1 GLU A 49 2.693 4.949 -7.475 1.00 0.00 O ATOM 730 OE2 GLU A 49 4.314 6.368 -7.478 1.00 0.00 O ATOM 0 H GLU A 49 1.561 3.062 -3.033 1.00 0.00 H new ATOM 0 HA GLU A 49 2.139 3.339 -5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.009 5.456 -4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.126 4.354 -3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.397 5.055 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.693 3.571 -6.287 1.00 0.00 H new ATOM 737 N LYS A 50 3.000 1.060 -5.511 1.00 0.00 N ATOM 738 CA LYS A 50 3.611 -0.297 -5.312 1.00 0.00 C ATOM 739 C LYS A 50 5.129 -0.187 -5.145 1.00 0.00 C ATOM 740 O LYS A 50 5.696 0.887 -5.232 1.00 0.00 O ATOM 741 CB LYS A 50 3.276 -1.083 -6.581 1.00 0.00 C ATOM 742 CG LYS A 50 1.831 -1.571 -6.514 1.00 0.00 C ATOM 743 CD LYS A 50 1.649 -2.763 -7.456 1.00 0.00 C ATOM 744 CE LYS A 50 1.954 -4.060 -6.702 1.00 0.00 C ATOM 745 NZ LYS A 50 1.038 -5.074 -7.297 1.00 0.00 N ATOM 0 H LYS A 50 2.443 1.161 -6.360 1.00 0.00 H new ATOM 0 HA LYS A 50 3.227 -0.783 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.417 -0.453 -7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.953 -1.931 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.581 -1.860 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.151 -0.766 -6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.629 -2.784 -7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.312 -2.665 -8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.997 -4.351 -6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.776 -3.946 -5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.578 -5.928 -7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.297 -5.318 -6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.599 -4.684 -8.155 1.00 0.00 H new ATOM 759 N LEU A 51 5.788 -1.293 -4.908 1.00 0.00 N ATOM 760 CA LEU A 51 7.275 -1.263 -4.736 1.00 0.00 C ATOM 761 C LEU A 51 7.995 -1.446 -6.085 1.00 0.00 C ATOM 762 O LEU A 51 9.164 -1.779 -6.126 1.00 0.00 O ATOM 763 CB LEU A 51 7.592 -2.422 -3.775 1.00 0.00 C ATOM 764 CG LEU A 51 7.301 -3.776 -4.440 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.561 -4.275 -5.149 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.884 -4.788 -3.371 1.00 0.00 C ATOM 0 H LEU A 51 5.362 -2.216 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 51 7.618 -0.306 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.639 -2.376 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.996 -2.322 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 51 6.496 -3.660 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.356 -5.236 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.861 -3.553 -5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.365 -4.392 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.677 -5.749 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.690 -4.904 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.988 -4.432 -2.863 1.00 0.00 H new ATOM 778 N GLU A 52 7.308 -1.237 -7.186 1.00 0.00 N ATOM 779 CA GLU A 52 7.951 -1.406 -8.527 1.00 0.00 C ATOM 780 C GLU A 52 9.213 -0.541 -8.638 1.00 0.00 C ATOM 781 O GLU A 52 9.484 0.288 -7.790 1.00 0.00 O ATOM 782 CB GLU A 52 6.900 -0.945 -9.540 1.00 0.00 C ATOM 783 CG GLU A 52 5.680 -1.864 -9.467 1.00 0.00 C ATOM 784 CD GLU A 52 5.833 -2.997 -10.485 1.00 0.00 C ATOM 785 OE1 GLU A 52 5.592 -2.751 -11.655 1.00 0.00 O ATOM 786 OE2 GLU A 52 6.190 -4.089 -10.076 1.00 0.00 O ATOM 0 H GLU A 52 6.328 -0.956 -7.211 1.00 0.00 H new ATOM 0 HA GLU A 52 8.260 -2.437 -8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.606 0.084 -9.332 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.319 -0.959 -10.546 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.580 -2.275 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.772 -1.297 -9.671 1.00 0.00 H new ATOM 793 N ASP A 53 9.987 -0.737 -9.677 1.00 0.00 N ATOM 794 CA ASP A 53 11.238 0.063 -9.855 1.00 0.00 C ATOM 795 C ASP A 53 10.926 1.564 -9.859 1.00 0.00 C ATOM 796 O ASP A 53 11.729 2.317 -9.334 1.00 0.00 O ATOM 797 CB ASP A 53 11.802 -0.367 -11.211 1.00 0.00 C ATOM 798 CG ASP A 53 13.315 -0.139 -11.231 1.00 0.00 C ATOM 799 OD1 ASP A 53 13.976 -0.613 -10.322 1.00 0.00 O ATOM 800 OD2 ASP A 53 13.785 0.505 -12.154 1.00 0.00 O ATOM 801 OXT ASP A 53 9.890 1.932 -10.388 1.00 0.00 O ATOM 0 H ASP A 53 9.805 -1.420 -10.413 1.00 0.00 H new ATOM 0 HA ASP A 53 11.946 -0.109 -9.044 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.580 -1.419 -11.392 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.327 0.201 -12.011 1.00 0.00 H new TER 806 ASP A 53