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 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= -0.726 USER MOD Single : A 10 TYR OH : rot 34:sc= 0.617 USER MOD Single : A 12 TYR OH : rot -155:sc= 0.341 USER MOD Single : A 21 ASN : amide:sc= -0.235 X(o=-0.23,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -80:sc= -2.12 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+ 159:sc= -1.19 (180deg=-2.33) USER MOD Single : A 46 SER OG : rot 65:sc= 0.876 USER MOD Single : A 50 LYS NZ :NH3+ 126:sc= 0.0163 (180deg=-0.0584) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.198 -8.677 -3.673 1.00 0.00 N ATOM 2 CA ALA A 1 3.183 -7.267 -4.158 1.00 0.00 C ATOM 3 C ALA A 1 2.658 -6.336 -3.061 1.00 0.00 C ATOM 4 O ALA A 1 1.491 -6.361 -2.722 1.00 0.00 O ATOM 5 CB ALA A 1 2.233 -7.271 -5.357 1.00 0.00 C ATOM 0 H1 ALA A 1 3.556 -9.299 -4.426 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.816 -8.751 -2.840 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.233 -8.966 -3.415 1.00 0.00 H new ATOM 0 HA ALA A 1 4.178 -6.912 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.167 -6.265 -5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.610 -7.954 -6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.243 -7.596 -5.036 1.00 0.00 H new ATOM 13 N LYS A 2 3.516 -5.517 -2.506 1.00 0.00 N ATOM 14 CA LYS A 2 3.076 -4.581 -1.430 1.00 0.00 C ATOM 15 C LYS A 2 2.771 -3.201 -2.021 1.00 0.00 C ATOM 16 O LYS A 2 3.077 -2.925 -3.166 1.00 0.00 O ATOM 17 CB LYS A 2 4.255 -4.507 -0.461 1.00 0.00 C ATOM 18 CG LYS A 2 4.296 -5.778 0.389 1.00 0.00 C ATOM 19 CD LYS A 2 5.746 -6.100 0.760 1.00 0.00 C ATOM 20 CE LYS A 2 5.772 -7.271 1.745 1.00 0.00 C ATOM 21 NZ LYS A 2 7.179 -7.761 1.723 1.00 0.00 N ATOM 0 H LYS A 2 4.504 -5.457 -2.753 1.00 0.00 H new ATOM 0 HA LYS A 2 2.166 -4.919 -0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.188 -4.396 -1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.158 -3.631 0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.700 -5.643 1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.857 -6.610 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.315 -6.351 -0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.222 -5.226 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.481 -6.952 2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.076 -8.055 1.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.277 -8.565 2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.426 -8.064 0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.818 -6.996 2.019 1.00 0.00 H new ATOM 35 N TRP A 3 2.168 -2.335 -1.245 1.00 0.00 N ATOM 36 CA TRP A 3 1.832 -0.968 -1.755 1.00 0.00 C ATOM 37 C TRP A 3 2.255 0.078 -0.727 1.00 0.00 C ATOM 38 O TRP A 3 1.671 0.176 0.334 1.00 0.00 O ATOM 39 CB TRP A 3 0.310 -0.961 -1.914 1.00 0.00 C ATOM 40 CG TRP A 3 -0.076 -1.603 -3.206 1.00 0.00 C ATOM 41 CD1 TRP A 3 0.078 -2.910 -3.517 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.695 -0.979 -4.359 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.387 -3.118 -4.805 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.879 -1.954 -5.363 1.00 0.00 C ATOM 45 CE3 TRP A 3 -1.101 0.332 -4.622 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.452 -1.633 -6.595 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.680 0.665 -5.857 1.00 0.00 C ATOM 48 CH2 TRP A 3 -1.854 -0.316 -6.843 1.00 0.00 C ATOM 0 H TRP A 3 1.893 -2.515 -0.279 1.00 0.00 H new ATOM 0 HA TRP A 3 2.339 -0.738 -2.692 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -0.152 -1.493 -1.083 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.062 0.063 -1.883 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.495 -3.666 -2.868 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.368 -4.019 -5.282 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.968 1.095 -3.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.584 -2.394 -7.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -1.993 1.681 -6.048 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -2.298 -0.056 -7.793 1.00 0.00 H new ATOM 59 N VAL A 4 3.266 0.856 -1.026 1.00 0.00 N ATOM 60 CA VAL A 4 3.720 1.885 -0.046 1.00 0.00 C ATOM 61 C VAL A 4 2.971 3.203 -0.247 1.00 0.00 C ATOM 62 O VAL A 4 2.598 3.566 -1.346 1.00 0.00 O ATOM 63 CB VAL A 4 5.227 2.057 -0.284 1.00 0.00 C ATOM 64 CG1 VAL A 4 5.486 2.516 -1.722 1.00 0.00 C ATOM 65 CG2 VAL A 4 5.788 3.099 0.696 1.00 0.00 C ATOM 0 H VAL A 4 3.792 0.822 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 4 3.516 1.576 0.979 1.00 0.00 H new ATOM 0 HB VAL A 4 5.722 1.099 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.558 2.634 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.098 1.771 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.987 3.469 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.858 3.220 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.286 4.053 0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.619 2.764 1.719 1.00 0.00 H new ATOM 75 N LEU A 5 2.755 3.914 0.825 1.00 0.00 N ATOM 76 CA LEU A 5 2.040 5.216 0.746 1.00 0.00 C ATOM 77 C LEU A 5 3.058 6.358 0.857 1.00 0.00 C ATOM 78 O LEU A 5 3.478 6.722 1.936 1.00 0.00 O ATOM 79 CB LEU A 5 1.089 5.206 1.951 1.00 0.00 C ATOM 80 CG LEU A 5 -0.334 5.555 1.512 1.00 0.00 C ATOM 81 CD1 LEU A 5 -1.261 5.503 2.727 1.00 0.00 C ATOM 82 CD2 LEU A 5 -0.370 6.963 0.904 1.00 0.00 C ATOM 0 H LEU A 5 3.048 3.643 1.764 1.00 0.00 H new ATOM 0 HA LEU A 5 1.500 5.357 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.100 4.223 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.431 5.922 2.698 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.663 4.837 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.277 5.751 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.245 4.500 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.922 6.221 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.388 7.200 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.038 7.689 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.290 7.002 0.038 1.00 0.00 H new ATOM 94 N LYS A 6 3.468 6.911 -0.258 1.00 0.00 N ATOM 95 CA LYS A 6 4.479 8.022 -0.238 1.00 0.00 C ATOM 96 C LYS A 6 4.076 9.137 0.736 1.00 0.00 C ATOM 97 O LYS A 6 4.912 9.877 1.219 1.00 0.00 O ATOM 98 CB LYS A 6 4.513 8.558 -1.667 1.00 0.00 C ATOM 99 CG LYS A 6 5.507 7.742 -2.498 1.00 0.00 C ATOM 100 CD LYS A 6 6.907 8.342 -2.350 1.00 0.00 C ATOM 101 CE LYS A 6 7.772 7.925 -3.544 1.00 0.00 C ATOM 102 NZ LYS A 6 8.570 6.766 -3.053 1.00 0.00 N ATOM 0 H LYS A 6 3.146 6.641 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 6 5.452 7.662 0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.519 8.501 -2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.802 9.609 -1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.508 6.703 -2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.208 7.743 -3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.844 9.429 -2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.363 8.002 -1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.157 7.647 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.418 8.741 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.189 6.423 -3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.151 7.063 -2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.928 6.003 -2.758 1.00 0.00 H new ATOM 116 N ILE A 7 2.805 9.264 1.023 1.00 0.00 N ATOM 117 CA ILE A 7 2.349 10.337 1.962 1.00 0.00 C ATOM 118 C ILE A 7 2.669 9.967 3.421 1.00 0.00 C ATOM 119 O ILE A 7 2.585 10.804 4.301 1.00 0.00 O ATOM 120 CB ILE A 7 0.834 10.438 1.748 1.00 0.00 C ATOM 121 CG1 ILE A 7 0.547 10.812 0.290 1.00 0.00 C ATOM 122 CG2 ILE A 7 0.250 11.516 2.667 1.00 0.00 C ATOM 123 CD1 ILE A 7 -0.959 10.766 0.032 1.00 0.00 C ATOM 0 H ILE A 7 2.063 8.672 0.649 1.00 0.00 H new ATOM 0 HA ILE A 7 2.854 11.284 1.769 1.00 0.00 H new ATOM 0 HB ILE A 7 0.376 9.476 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.931 11.810 0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.062 10.123 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.827 11.583 2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.450 11.256 3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.711 12.477 2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.159 11.033 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.331 9.760 0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.463 11.473 0.691 1.00 0.00 H new ATOM 135 N THR A 8 3.024 8.730 3.690 1.00 0.00 N ATOM 136 CA THR A 8 3.332 8.334 5.101 1.00 0.00 C ATOM 137 C THR A 8 4.388 7.227 5.149 1.00 0.00 C ATOM 138 O THR A 8 5.333 7.293 5.913 1.00 0.00 O ATOM 139 CB THR A 8 2.008 7.812 5.664 1.00 0.00 C ATOM 140 OG1 THR A 8 1.557 6.722 4.870 1.00 0.00 O ATOM 141 CG2 THR A 8 0.961 8.924 5.644 1.00 0.00 C ATOM 0 H THR A 8 3.113 7.985 2.999 1.00 0.00 H new ATOM 0 HA THR A 8 3.732 9.173 5.671 1.00 0.00 H new ATOM 0 HB THR A 8 2.158 7.481 6.692 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.710 6.384 5.229 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.021 8.546 6.046 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.306 9.760 6.253 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.808 9.261 4.619 1.00 0.00 H new ATOM 149 N GLY A 9 4.221 6.200 4.357 1.00 0.00 N ATOM 150 CA GLY A 9 5.195 5.069 4.369 1.00 0.00 C ATOM 151 C GLY A 9 4.452 3.747 4.626 1.00 0.00 C ATOM 152 O GLY A 9 5.016 2.679 4.487 1.00 0.00 O ATOM 0 H GLY A 9 3.448 6.096 3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.723 5.021 3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.946 5.231 5.142 1.00 0.00 H new ATOM 156 N TYR A 10 3.186 3.807 4.995 1.00 0.00 N ATOM 157 CA TYR A 10 2.397 2.556 5.255 1.00 0.00 C ATOM 158 C TYR A 10 2.543 1.580 4.068 1.00 0.00 C ATOM 159 O TYR A 10 2.666 1.994 2.932 1.00 0.00 O ATOM 160 CB TYR A 10 0.944 3.061 5.428 1.00 0.00 C ATOM 161 CG TYR A 10 -0.070 1.969 5.159 1.00 0.00 C ATOM 162 CD1 TYR A 10 -0.406 1.051 6.160 1.00 0.00 C ATOM 163 CD2 TYR A 10 -0.672 1.884 3.899 1.00 0.00 C ATOM 164 CE1 TYR A 10 -1.345 0.047 5.899 1.00 0.00 C ATOM 165 CE2 TYR A 10 -1.609 0.883 3.638 1.00 0.00 C ATOM 166 CZ TYR A 10 -1.947 -0.038 4.637 1.00 0.00 C ATOM 167 OH TYR A 10 -2.873 -1.027 4.378 1.00 0.00 O ATOM 0 H TYR A 10 2.666 4.675 5.127 1.00 0.00 H new ATOM 0 HA TYR A 10 2.733 2.000 6.130 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.810 3.439 6.441 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.767 3.896 4.750 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.059 1.117 7.133 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.411 2.594 3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.606 -0.662 6.671 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.074 0.819 2.665 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.388 -1.213 5.190 1.00 0.00 H new ATOM 177 N ILE A 11 2.534 0.296 4.333 1.00 0.00 N ATOM 178 CA ILE A 11 2.682 -0.702 3.226 1.00 0.00 C ATOM 179 C ILE A 11 1.571 -1.755 3.292 1.00 0.00 C ATOM 180 O ILE A 11 1.551 -2.581 4.185 1.00 0.00 O ATOM 181 CB ILE A 11 4.034 -1.392 3.456 1.00 0.00 C ATOM 182 CG1 ILE A 11 5.159 -0.357 3.642 1.00 0.00 C ATOM 183 CG2 ILE A 11 4.355 -2.295 2.264 1.00 0.00 C ATOM 184 CD1 ILE A 11 5.284 0.527 2.398 1.00 0.00 C ATOM 0 H ILE A 11 2.431 -0.104 5.266 1.00 0.00 H new ATOM 0 HA ILE A 11 2.623 -0.212 2.254 1.00 0.00 H new ATOM 0 HB ILE A 11 3.967 -1.989 4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.952 0.261 4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.104 -0.867 3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.315 -2.785 2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.575 -3.050 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.404 -1.695 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.084 1.253 2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.514 -0.094 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.344 1.052 2.229 1.00 0.00 H new ATOM 196 N TYR A 12 0.670 -1.759 2.340 1.00 0.00 N ATOM 197 CA TYR A 12 -0.409 -2.792 2.344 1.00 0.00 C ATOM 198 C TYR A 12 0.171 -4.091 1.777 1.00 0.00 C ATOM 199 O TYR A 12 0.467 -4.184 0.600 1.00 0.00 O ATOM 200 CB TYR A 12 -1.527 -2.228 1.442 1.00 0.00 C ATOM 201 CG TYR A 12 -2.541 -3.309 1.096 1.00 0.00 C ATOM 202 CD1 TYR A 12 -3.532 -3.665 2.020 1.00 0.00 C ATOM 203 CD2 TYR A 12 -2.484 -3.956 -0.151 1.00 0.00 C ATOM 204 CE1 TYR A 12 -4.463 -4.663 1.698 1.00 0.00 C ATOM 205 CE2 TYR A 12 -3.420 -4.953 -0.467 1.00 0.00 C ATOM 206 CZ TYR A 12 -4.407 -5.303 0.460 1.00 0.00 C ATOM 207 OH TYR A 12 -5.330 -6.281 0.158 1.00 0.00 O ATOM 0 H TYR A 12 0.636 -1.096 1.566 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.800 -3.009 3.338 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.027 -1.403 1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.093 -1.824 0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.579 -3.171 2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.720 -3.686 -0.865 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.226 -4.937 2.411 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.378 -5.449 -1.425 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.955 -6.888 -0.514 1.00 0.00 H new ATOM 217 N ASP A 13 0.335 -5.087 2.606 1.00 0.00 N ATOM 218 CA ASP A 13 0.895 -6.379 2.117 1.00 0.00 C ATOM 219 C ASP A 13 -0.209 -7.171 1.421 1.00 0.00 C ATOM 220 O ASP A 13 -0.889 -7.973 2.027 1.00 0.00 O ATOM 221 CB ASP A 13 1.383 -7.105 3.370 1.00 0.00 C ATOM 222 CG ASP A 13 2.076 -8.409 2.968 1.00 0.00 C ATOM 223 OD1 ASP A 13 1.397 -9.283 2.454 1.00 0.00 O ATOM 224 OD2 ASP A 13 3.273 -8.511 3.181 1.00 0.00 O ATOM 0 H ASP A 13 0.106 -5.061 3.600 1.00 0.00 H new ATOM 0 HA ASP A 13 1.704 -6.247 1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.074 -6.470 3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.543 -7.316 4.031 1.00 0.00 H new ATOM 229 N GLU A 14 -0.393 -6.934 0.147 1.00 0.00 N ATOM 230 CA GLU A 14 -1.465 -7.652 -0.617 1.00 0.00 C ATOM 231 C GLU A 14 -1.333 -9.172 -0.461 1.00 0.00 C ATOM 232 O GLU A 14 -2.293 -9.896 -0.641 1.00 0.00 O ATOM 233 CB GLU A 14 -1.268 -7.232 -2.077 1.00 0.00 C ATOM 234 CG GLU A 14 -2.437 -7.735 -2.917 1.00 0.00 C ATOM 235 CD GLU A 14 -1.929 -8.230 -4.274 1.00 0.00 C ATOM 236 OE1 GLU A 14 -1.776 -7.408 -5.162 1.00 0.00 O ATOM 237 OE2 GLU A 14 -1.702 -9.423 -4.400 1.00 0.00 O ATOM 0 H GLU A 14 0.155 -6.271 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.460 -7.397 -0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.197 -6.147 -2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.331 -7.638 -2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.951 -8.542 -2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.164 -6.935 -3.061 1.00 0.00 H new ATOM 244 N ASP A 15 -0.169 -9.661 -0.105 1.00 0.00 N ATOM 245 CA ASP A 15 -0.008 -11.136 0.086 1.00 0.00 C ATOM 246 C ASP A 15 -0.904 -11.587 1.243 1.00 0.00 C ATOM 247 O ASP A 15 -1.389 -12.703 1.273 1.00 0.00 O ATOM 248 CB ASP A 15 1.468 -11.345 0.431 1.00 0.00 C ATOM 249 CG ASP A 15 1.972 -12.625 -0.238 1.00 0.00 C ATOM 250 OD1 ASP A 15 1.968 -12.673 -1.457 1.00 0.00 O ATOM 251 OD2 ASP A 15 2.352 -13.536 0.479 1.00 0.00 O ATOM 0 H ASP A 15 0.671 -9.106 0.060 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.289 -11.710 -0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.056 -10.491 0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.594 -11.413 1.512 1.00 0.00 H new ATOM 256 N ALA A 16 -1.134 -10.710 2.187 1.00 0.00 N ATOM 257 CA ALA A 16 -2.007 -11.046 3.347 1.00 0.00 C ATOM 258 C ALA A 16 -3.258 -10.168 3.310 1.00 0.00 C ATOM 259 O ALA A 16 -4.357 -10.621 3.562 1.00 0.00 O ATOM 260 CB ALA A 16 -1.167 -10.715 4.581 1.00 0.00 C ATOM 0 H ALA A 16 -0.749 -9.766 2.201 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.332 -12.087 3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.741 -10.935 5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.258 -11.316 4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.903 -9.657 4.569 1.00 0.00 H new ATOM 266 N GLY A 17 -3.086 -8.909 2.998 1.00 0.00 N ATOM 267 CA GLY A 17 -4.245 -7.979 2.939 1.00 0.00 C ATOM 268 C GLY A 17 -4.048 -6.853 3.956 1.00 0.00 C ATOM 269 O GLY A 17 -3.241 -5.965 3.764 1.00 0.00 O ATOM 0 H GLY A 17 -2.184 -8.486 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.341 -7.564 1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.168 -8.518 3.151 1.00 0.00 H new ATOM 273 N ASP A 18 -4.784 -6.885 5.040 1.00 0.00 N ATOM 274 CA ASP A 18 -4.667 -5.824 6.095 1.00 0.00 C ATOM 275 C ASP A 18 -5.758 -6.042 7.154 1.00 0.00 C ATOM 276 O ASP A 18 -6.868 -5.576 6.990 1.00 0.00 O ATOM 277 CB ASP A 18 -4.884 -4.468 5.393 1.00 0.00 C ATOM 278 CG ASP A 18 -3.653 -3.580 5.588 1.00 0.00 C ATOM 279 OD1 ASP A 18 -2.615 -3.909 5.037 1.00 0.00 O ATOM 280 OD2 ASP A 18 -3.769 -2.586 6.285 1.00 0.00 O ATOM 0 H ASP A 18 -5.471 -7.611 5.243 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.694 -5.856 6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.067 -4.624 4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.767 -3.975 5.799 1.00 0.00 H new ATOM 285 N PRO A 19 -5.417 -6.738 8.213 1.00 0.00 N ATOM 286 CA PRO A 19 -6.403 -6.996 9.292 1.00 0.00 C ATOM 287 C PRO A 19 -6.815 -5.688 9.985 1.00 0.00 C ATOM 288 O PRO A 19 -7.793 -5.650 10.710 1.00 0.00 O ATOM 289 CB PRO A 19 -5.659 -7.934 10.244 1.00 0.00 C ATOM 290 CG PRO A 19 -4.212 -7.672 9.979 1.00 0.00 C ATOM 291 CD PRO A 19 -4.110 -7.340 8.514 1.00 0.00 C ATOM 0 HA PRO A 19 -7.334 -7.430 8.927 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.915 -7.728 11.283 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.914 -8.976 10.053 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.846 -6.848 10.592 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.607 -8.545 10.224 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.292 -6.647 8.314 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.928 -8.230 7.911 1.00 0.00 H new ATOM 299 N ASP A 20 -6.091 -4.615 9.761 1.00 0.00 N ATOM 300 CA ASP A 20 -6.457 -3.314 10.397 1.00 0.00 C ATOM 301 C ASP A 20 -7.657 -2.698 9.667 1.00 0.00 C ATOM 302 O ASP A 20 -8.490 -2.044 10.266 1.00 0.00 O ATOM 303 CB ASP A 20 -5.221 -2.425 10.242 1.00 0.00 C ATOM 304 CG ASP A 20 -4.265 -2.672 11.410 1.00 0.00 C ATOM 305 OD1 ASP A 20 -3.484 -3.603 11.324 1.00 0.00 O ATOM 306 OD2 ASP A 20 -4.331 -1.922 12.371 1.00 0.00 O ATOM 0 H ASP A 20 -5.264 -4.587 9.165 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.739 -3.430 11.443 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.721 -2.640 9.297 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.516 -1.376 10.215 1.00 0.00 H new ATOM 311 N ASN A 21 -7.751 -2.911 8.376 1.00 0.00 N ATOM 312 CA ASN A 21 -8.896 -2.347 7.597 1.00 0.00 C ATOM 313 C ASN A 21 -9.918 -3.444 7.271 1.00 0.00 C ATOM 314 O ASN A 21 -10.733 -3.291 6.380 1.00 0.00 O ATOM 315 CB ASN A 21 -8.271 -1.802 6.307 1.00 0.00 C ATOM 316 CG ASN A 21 -7.922 -0.326 6.495 1.00 0.00 C ATOM 317 OD1 ASN A 21 -8.713 0.542 6.180 1.00 0.00 O ATOM 318 ND2 ASN A 21 -6.764 -0.001 7.000 1.00 0.00 N ATOM 0 H ASN A 21 -7.082 -3.452 7.828 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.427 -1.576 8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.375 -2.370 6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.966 -1.920 5.476 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.522 0.981 7.131 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.100 -0.729 7.264 1.00 0.00 H new ATOM 325 N GLY A 22 -9.884 -4.552 7.980 1.00 0.00 N ATOM 326 CA GLY A 22 -10.853 -5.660 7.704 1.00 0.00 C ATOM 327 C GLY A 22 -10.736 -6.087 6.239 1.00 0.00 C ATOM 328 O GLY A 22 -11.702 -6.068 5.498 1.00 0.00 O ATOM 0 H GLY A 22 -9.226 -4.734 8.738 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.649 -6.507 8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.870 -5.330 7.918 1.00 0.00 H new ATOM 332 N ILE A 23 -9.553 -6.454 5.815 1.00 0.00 N ATOM 333 CA ILE A 23 -9.357 -6.865 4.392 1.00 0.00 C ATOM 334 C ILE A 23 -9.369 -8.388 4.259 1.00 0.00 C ATOM 335 O ILE A 23 -9.226 -9.112 5.225 1.00 0.00 O ATOM 336 CB ILE A 23 -7.984 -6.305 3.997 1.00 0.00 C ATOM 337 CG1 ILE A 23 -7.968 -4.779 4.192 1.00 0.00 C ATOM 338 CG2 ILE A 23 -7.686 -6.642 2.530 1.00 0.00 C ATOM 339 CD1 ILE A 23 -8.979 -4.107 3.255 1.00 0.00 C ATOM 0 H ILE A 23 -8.714 -6.487 6.394 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.154 -6.489 3.751 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.220 -6.756 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.206 -4.536 5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.968 -4.392 3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.710 -6.242 2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.684 -7.724 2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.452 -6.200 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.954 -3.028 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.723 -4.334 2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.980 -4.481 3.471 1.00 0.00 H new ATOM 351 N SER A 24 -9.533 -8.865 3.055 1.00 0.00 N ATOM 352 CA SER A 24 -9.551 -10.337 2.816 1.00 0.00 C ATOM 353 C SER A 24 -8.114 -10.880 2.777 1.00 0.00 C ATOM 354 O SER A 24 -7.189 -10.140 2.501 1.00 0.00 O ATOM 355 CB SER A 24 -10.234 -10.505 1.454 1.00 0.00 C ATOM 356 OG SER A 24 -11.529 -11.060 1.645 1.00 0.00 O ATOM 0 H SER A 24 -9.656 -8.293 2.220 1.00 0.00 H new ATOM 0 HA SER A 24 -10.074 -10.883 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.309 -9.541 0.950 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.638 -11.154 0.813 1.00 0.00 H new ATOM 0 HG SER A 24 -11.970 -11.168 0.777 1.00 0.00 H new ATOM 362 N PRO A 25 -7.960 -12.158 3.051 1.00 0.00 N ATOM 363 CA PRO A 25 -6.606 -12.772 3.036 1.00 0.00 C ATOM 364 C PRO A 25 -6.089 -12.874 1.598 1.00 0.00 C ATOM 365 O PRO A 25 -6.453 -13.773 0.864 1.00 0.00 O ATOM 366 CB PRO A 25 -6.831 -14.158 3.635 1.00 0.00 C ATOM 367 CG PRO A 25 -8.272 -14.460 3.378 1.00 0.00 C ATOM 368 CD PRO A 25 -9.001 -13.143 3.393 1.00 0.00 C ATOM 0 HA PRO A 25 -5.865 -12.194 3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.183 -14.900 3.168 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.610 -14.168 4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.397 -14.960 2.418 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.669 -15.130 4.141 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.817 -13.130 2.670 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.438 -12.939 4.371 1.00 0.00 H new ATOM 376 N GLY A 26 -5.249 -11.952 1.189 1.00 0.00 N ATOM 377 CA GLY A 26 -4.717 -11.987 -0.202 1.00 0.00 C ATOM 378 C GLY A 26 -5.667 -11.211 -1.112 1.00 0.00 C ATOM 379 O GLY A 26 -6.363 -11.780 -1.931 1.00 0.00 O ATOM 0 H GLY A 26 -4.912 -11.179 1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.720 -11.548 -0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.624 -13.018 -0.545 1.00 0.00 H new ATOM 383 N THR A 27 -5.706 -9.914 -0.959 1.00 0.00 N ATOM 384 CA THR A 27 -6.616 -9.078 -1.791 1.00 0.00 C ATOM 385 C THR A 27 -5.800 -8.060 -2.598 1.00 0.00 C ATOM 386 O THR A 27 -5.031 -7.301 -2.047 1.00 0.00 O ATOM 387 CB THR A 27 -7.531 -8.386 -0.763 1.00 0.00 C ATOM 388 OG1 THR A 27 -8.481 -9.325 -0.283 1.00 0.00 O ATOM 389 CG2 THR A 27 -8.271 -7.197 -1.391 1.00 0.00 C ATOM 0 H THR A 27 -5.141 -9.395 -0.287 1.00 0.00 H new ATOM 0 HA THR A 27 -7.188 -9.653 -2.520 1.00 0.00 H new ATOM 0 HB THR A 27 -6.914 -8.014 0.055 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.208 -9.416 -0.934 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.909 -6.729 -0.642 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.546 -6.469 -1.757 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.884 -7.547 -2.221 1.00 0.00 H new ATOM 397 N LYS A 28 -5.978 -8.034 -3.893 1.00 0.00 N ATOM 398 CA LYS A 28 -5.231 -7.057 -4.734 1.00 0.00 C ATOM 399 C LYS A 28 -5.591 -5.627 -4.316 1.00 0.00 C ATOM 400 O LYS A 28 -6.739 -5.234 -4.391 1.00 0.00 O ATOM 401 CB LYS A 28 -5.691 -7.322 -6.170 1.00 0.00 C ATOM 402 CG LYS A 28 -4.848 -8.445 -6.779 1.00 0.00 C ATOM 403 CD LYS A 28 -5.494 -9.796 -6.466 1.00 0.00 C ATOM 404 CE LYS A 28 -5.027 -10.835 -7.488 1.00 0.00 C ATOM 405 NZ LYS A 28 -4.847 -12.089 -6.706 1.00 0.00 N ATOM 0 H LYS A 28 -6.611 -8.650 -4.404 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.151 -7.165 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.745 -7.598 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.594 -6.415 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.768 -8.310 -7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.835 -8.413 -6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.225 -10.115 -5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.580 -9.707 -6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.763 -10.967 -8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.095 -10.529 -7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.527 -12.850 -7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.136 -11.935 -5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.752 -12.359 -6.270 1.00 0.00 H new ATOM 419 N PHE A 29 -4.629 -4.844 -3.877 1.00 0.00 N ATOM 420 CA PHE A 29 -4.934 -3.425 -3.460 1.00 0.00 C ATOM 421 C PHE A 29 -5.723 -2.702 -4.561 1.00 0.00 C ATOM 422 O PHE A 29 -6.648 -1.961 -4.286 1.00 0.00 O ATOM 423 CB PHE A 29 -3.559 -2.775 -3.262 1.00 0.00 C ATOM 424 CG PHE A 29 -3.712 -1.328 -2.853 1.00 0.00 C ATOM 425 CD1 PHE A 29 -3.892 -0.339 -3.830 1.00 0.00 C ATOM 426 CD2 PHE A 29 -3.659 -0.973 -1.500 1.00 0.00 C ATOM 427 CE1 PHE A 29 -4.020 1.005 -3.452 1.00 0.00 C ATOM 428 CE2 PHE A 29 -3.786 0.369 -1.124 1.00 0.00 C ATOM 429 CZ PHE A 29 -3.965 1.357 -2.100 1.00 0.00 C ATOM 0 H PHE A 29 -3.651 -5.120 -3.788 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.544 -3.378 -2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.000 -3.317 -2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.983 -2.839 -4.185 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.932 -0.612 -4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.520 -1.734 -0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.161 1.767 -4.204 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.746 0.643 -0.080 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.061 2.392 -1.808 1.00 0.00 H new ATOM 439 N GLU A 30 -5.373 -2.932 -5.799 1.00 0.00 N ATOM 440 CA GLU A 30 -6.113 -2.281 -6.922 1.00 0.00 C ATOM 441 C GLU A 30 -7.538 -2.850 -7.023 1.00 0.00 C ATOM 442 O GLU A 30 -8.383 -2.300 -7.704 1.00 0.00 O ATOM 443 CB GLU A 30 -5.307 -2.605 -8.187 1.00 0.00 C ATOM 444 CG GLU A 30 -5.181 -4.124 -8.356 1.00 0.00 C ATOM 445 CD GLU A 30 -4.879 -4.452 -9.820 1.00 0.00 C ATOM 446 OE1 GLU A 30 -3.712 -4.488 -10.169 1.00 0.00 O ATOM 447 OE2 GLU A 30 -5.822 -4.662 -10.566 1.00 0.00 O ATOM 0 H GLU A 30 -4.607 -3.543 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.212 -1.205 -6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.796 -2.173 -9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.316 -2.155 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.387 -4.507 -7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.105 -4.613 -8.046 1.00 0.00 H new ATOM 454 N GLU A 31 -7.810 -3.949 -6.353 1.00 0.00 N ATOM 455 CA GLU A 31 -9.171 -4.554 -6.410 1.00 0.00 C ATOM 456 C GLU A 31 -9.883 -4.455 -5.049 1.00 0.00 C ATOM 457 O GLU A 31 -10.990 -4.934 -4.896 1.00 0.00 O ATOM 458 CB GLU A 31 -8.930 -6.019 -6.780 1.00 0.00 C ATOM 459 CG GLU A 31 -10.267 -6.701 -7.093 1.00 0.00 C ATOM 460 CD GLU A 31 -10.744 -7.485 -5.868 1.00 0.00 C ATOM 461 OE1 GLU A 31 -9.919 -8.135 -5.247 1.00 0.00 O ATOM 462 OE2 GLU A 31 -11.926 -7.421 -5.571 1.00 0.00 O ATOM 0 H GLU A 31 -7.141 -4.450 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.812 -4.041 -7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.268 -6.082 -7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.432 -6.534 -5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.011 -5.955 -7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.154 -7.372 -7.945 1.00 0.00 H new ATOM 469 N LEU A 32 -9.271 -3.831 -4.058 1.00 0.00 N ATOM 470 CA LEU A 32 -9.942 -3.705 -2.716 1.00 0.00 C ATOM 471 C LEU A 32 -11.338 -3.063 -2.899 1.00 0.00 C ATOM 472 O LEU A 32 -11.681 -2.676 -3.999 1.00 0.00 O ATOM 473 CB LEU A 32 -9.011 -2.809 -1.881 1.00 0.00 C ATOM 474 CG LEU A 32 -8.106 -3.666 -0.984 1.00 0.00 C ATOM 475 CD1 LEU A 32 -7.105 -2.760 -0.264 1.00 0.00 C ATOM 476 CD2 LEU A 32 -8.937 -4.419 0.061 1.00 0.00 C ATOM 0 H LEU A 32 -8.345 -3.408 -4.121 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.098 -4.666 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.401 -2.193 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.603 -2.130 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.582 -4.390 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.460 -3.365 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.497 -2.233 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.644 -2.036 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.277 -5.020 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.474 -3.703 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.652 -5.070 -0.443 1.00 0.00 H new ATOM 488 N PRO A 33 -12.116 -2.989 -1.839 1.00 0.00 N ATOM 489 CA PRO A 33 -13.475 -2.420 -1.946 1.00 0.00 C ATOM 490 C PRO A 33 -13.451 -0.909 -1.732 1.00 0.00 C ATOM 491 O PRO A 33 -12.404 -0.305 -1.596 1.00 0.00 O ATOM 492 CB PRO A 33 -14.229 -3.111 -0.818 1.00 0.00 C ATOM 493 CG PRO A 33 -13.186 -3.503 0.191 1.00 0.00 C ATOM 494 CD PRO A 33 -11.828 -3.408 -0.466 1.00 0.00 C ATOM 0 HA PRO A 33 -13.928 -2.575 -2.925 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.969 -2.444 -0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.766 -3.985 -1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.234 -2.847 1.060 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.365 -4.518 0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.190 -2.687 0.044 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.308 -4.366 -0.444 1.00 0.00 H new ATOM 502 N ASP A 34 -14.607 -0.299 -1.693 1.00 0.00 N ATOM 503 CA ASP A 34 -14.673 1.175 -1.478 1.00 0.00 C ATOM 504 C ASP A 34 -14.517 1.490 0.009 1.00 0.00 C ATOM 505 O ASP A 34 -14.543 0.611 0.846 1.00 0.00 O ATOM 506 CB ASP A 34 -16.060 1.591 -1.972 1.00 0.00 C ATOM 507 CG ASP A 34 -16.150 1.379 -3.485 1.00 0.00 C ATOM 508 OD1 ASP A 34 -15.962 0.255 -3.917 1.00 0.00 O ATOM 509 OD2 ASP A 34 -16.408 2.346 -4.183 1.00 0.00 O ATOM 0 H ASP A 34 -15.510 -0.761 -1.801 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.881 1.707 -2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.828 1.006 -1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.245 2.637 -1.729 1.00 0.00 H new ATOM 514 N ASP A 35 -14.355 2.750 0.341 1.00 0.00 N ATOM 515 CA ASP A 35 -14.194 3.178 1.777 1.00 0.00 C ATOM 516 C ASP A 35 -12.853 2.714 2.374 1.00 0.00 C ATOM 517 O ASP A 35 -12.577 2.983 3.529 1.00 0.00 O ATOM 518 CB ASP A 35 -15.370 2.567 2.556 1.00 0.00 C ATOM 519 CG ASP A 35 -15.756 3.495 3.710 1.00 0.00 C ATOM 520 OD1 ASP A 35 -14.868 3.895 4.444 1.00 0.00 O ATOM 521 OD2 ASP A 35 -16.933 3.789 3.839 1.00 0.00 O ATOM 0 H ASP A 35 -14.327 3.516 -0.332 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.193 4.266 1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.222 2.421 1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.094 1.586 2.941 1.00 0.00 H new ATOM 526 N TRP A 36 -12.008 2.042 1.617 1.00 0.00 N ATOM 527 CA TRP A 36 -10.696 1.606 2.185 1.00 0.00 C ATOM 528 C TRP A 36 -9.790 2.827 2.372 1.00 0.00 C ATOM 529 O TRP A 36 -9.612 3.620 1.466 1.00 0.00 O ATOM 530 CB TRP A 36 -10.095 0.639 1.157 1.00 0.00 C ATOM 531 CG TRP A 36 -8.801 0.105 1.688 1.00 0.00 C ATOM 532 CD1 TRP A 36 -8.638 -1.105 2.268 1.00 0.00 C ATOM 533 CD2 TRP A 36 -7.494 0.747 1.708 1.00 0.00 C ATOM 534 NE1 TRP A 36 -7.316 -1.249 2.642 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.571 -0.134 2.319 1.00 0.00 C ATOM 536 CE3 TRP A 36 -7.024 1.994 1.259 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -5.229 0.211 2.482 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -5.673 2.344 1.422 1.00 0.00 C ATOM 539 CH2 TRP A 36 -4.779 1.455 2.032 1.00 0.00 C ATOM 0 H TRP A 36 -12.172 1.782 0.644 1.00 0.00 H new ATOM 0 HA TRP A 36 -10.806 1.126 3.157 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -10.788 -0.179 0.960 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -9.930 1.152 0.209 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.415 -1.840 2.415 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.937 -2.078 3.101 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.705 2.686 0.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.543 -0.478 2.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.322 3.304 1.075 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.742 1.731 2.155 1.00 0.00 H new ATOM 550 N VAL A 37 -9.219 2.985 3.541 1.00 0.00 N ATOM 551 CA VAL A 37 -8.321 4.152 3.800 1.00 0.00 C ATOM 552 C VAL A 37 -7.673 4.004 5.180 1.00 0.00 C ATOM 553 O VAL A 37 -8.351 3.915 6.187 1.00 0.00 O ATOM 554 CB VAL A 37 -9.231 5.390 3.745 1.00 0.00 C ATOM 555 CG1 VAL A 37 -10.316 5.293 4.823 1.00 0.00 C ATOM 556 CG2 VAL A 37 -8.393 6.652 3.974 1.00 0.00 C ATOM 0 H VAL A 37 -9.338 2.351 4.331 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.512 4.228 3.073 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.706 5.439 2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.955 6.174 4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.917 4.399 4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.848 5.236 5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.039 7.529 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.913 6.598 4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.630 6.728 3.199 1.00 0.00 H new ATOM 566 N ALA A 38 -6.366 3.970 5.230 1.00 0.00 N ATOM 567 CA ALA A 38 -5.664 3.819 6.544 1.00 0.00 C ATOM 568 C ALA A 38 -6.061 4.956 7.503 1.00 0.00 C ATOM 569 O ALA A 38 -6.799 5.843 7.126 1.00 0.00 O ATOM 570 CB ALA A 38 -4.171 3.886 6.213 1.00 0.00 C ATOM 0 H ALA A 38 -5.753 4.040 4.418 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.927 2.886 7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.590 3.782 7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.914 3.079 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.944 4.845 5.746 1.00 0.00 H new ATOM 576 N PRO A 39 -5.564 4.892 8.722 1.00 0.00 N ATOM 577 CA PRO A 39 -5.894 5.937 9.725 1.00 0.00 C ATOM 578 C PRO A 39 -5.178 7.260 9.418 1.00 0.00 C ATOM 579 O PRO A 39 -5.497 8.284 9.992 1.00 0.00 O ATOM 580 CB PRO A 39 -5.391 5.347 11.039 1.00 0.00 C ATOM 581 CG PRO A 39 -4.319 4.382 10.649 1.00 0.00 C ATOM 582 CD PRO A 39 -4.665 3.864 9.278 1.00 0.00 C ATOM 0 HA PRO A 39 -6.957 6.176 9.739 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.001 6.124 11.696 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.194 4.846 11.579 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.345 4.871 10.641 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.259 3.563 11.366 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.774 3.738 8.663 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.155 2.892 9.331 1.00 0.00 H new ATOM 590 N ILE A 40 -4.213 7.252 8.526 1.00 0.00 N ATOM 591 CA ILE A 40 -3.484 8.520 8.200 1.00 0.00 C ATOM 592 C ILE A 40 -4.461 9.571 7.659 1.00 0.00 C ATOM 593 O ILE A 40 -5.665 9.397 7.714 1.00 0.00 O ATOM 594 CB ILE A 40 -2.450 8.138 7.132 1.00 0.00 C ATOM 595 CG1 ILE A 40 -3.160 7.568 5.890 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.493 7.089 7.705 1.00 0.00 C ATOM 597 CD1 ILE A 40 -2.636 8.267 4.631 1.00 0.00 C ATOM 0 H ILE A 40 -3.901 6.427 8.013 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.008 8.954 9.079 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.889 9.026 6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.987 6.494 5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.237 7.712 5.976 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.757 6.816 6.948 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.982 7.500 8.576 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.057 6.204 7.999 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.140 7.862 3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.832 9.337 4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.563 8.100 4.542 1.00 0.00 H new ATOM 609 N THR A 41 -3.949 10.658 7.140 1.00 0.00 N ATOM 610 CA THR A 41 -4.839 11.725 6.593 1.00 0.00 C ATOM 611 C THR A 41 -4.825 11.694 5.063 1.00 0.00 C ATOM 612 O THR A 41 -3.975 12.291 4.429 1.00 0.00 O ATOM 613 CB THR A 41 -4.246 13.038 7.107 1.00 0.00 C ATOM 614 OG1 THR A 41 -4.135 12.984 8.522 1.00 0.00 O ATOM 615 CG2 THR A 41 -5.154 14.202 6.707 1.00 0.00 C ATOM 0 H THR A 41 -2.950 10.852 7.072 1.00 0.00 H new ATOM 0 HA THR A 41 -5.876 11.596 6.904 1.00 0.00 H new ATOM 0 HB THR A 41 -3.258 13.186 6.671 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.754 13.824 8.853 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.730 15.137 7.074 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.236 14.243 5.621 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.143 14.057 7.141 1.00 0.00 H new ATOM 623 N GLY A 42 -5.761 10.999 4.467 1.00 0.00 N ATOM 624 CA GLY A 42 -5.811 10.922 2.977 1.00 0.00 C ATOM 625 C GLY A 42 -5.161 9.618 2.510 1.00 0.00 C ATOM 626 O GLY A 42 -3.995 9.587 2.163 1.00 0.00 O ATOM 0 H GLY A 42 -6.494 10.481 4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.845 10.968 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.292 11.776 2.541 1.00 0.00 H new ATOM 630 N ALA A 43 -5.909 8.543 2.498 1.00 0.00 N ATOM 631 CA ALA A 43 -5.342 7.235 2.053 1.00 0.00 C ATOM 632 C ALA A 43 -6.325 6.512 1.113 1.00 0.00 C ATOM 633 O ALA A 43 -6.651 5.362 1.335 1.00 0.00 O ATOM 634 CB ALA A 43 -5.143 6.437 3.343 1.00 0.00 C ATOM 0 H ALA A 43 -6.889 8.516 2.778 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.412 7.356 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.728 5.458 3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.457 6.972 4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.102 6.312 3.845 1.00 0.00 H new ATOM 640 N PRO A 44 -6.771 7.203 0.085 1.00 0.00 N ATOM 641 CA PRO A 44 -7.721 6.588 -0.876 1.00 0.00 C ATOM 642 C PRO A 44 -7.008 5.541 -1.738 1.00 0.00 C ATOM 643 O PRO A 44 -5.888 5.156 -1.461 1.00 0.00 O ATOM 644 CB PRO A 44 -8.192 7.765 -1.725 1.00 0.00 C ATOM 645 CG PRO A 44 -7.095 8.776 -1.627 1.00 0.00 C ATOM 646 CD PRO A 44 -6.449 8.593 -0.280 1.00 0.00 C ATOM 0 HA PRO A 44 -8.545 6.068 -0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.360 7.464 -2.759 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.134 8.168 -1.353 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.367 8.635 -2.426 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.491 9.786 -1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.372 8.753 -0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.843 9.299 0.451 1.00 0.00 H new ATOM 654 N LYS A 45 -7.655 5.078 -2.777 1.00 0.00 N ATOM 655 CA LYS A 45 -7.028 4.049 -3.661 1.00 0.00 C ATOM 656 C LYS A 45 -6.016 4.694 -4.611 1.00 0.00 C ATOM 657 O LYS A 45 -4.851 4.342 -4.623 1.00 0.00 O ATOM 658 CB LYS A 45 -8.186 3.451 -4.457 1.00 0.00 C ATOM 659 CG LYS A 45 -8.681 2.183 -3.762 1.00 0.00 C ATOM 660 CD LYS A 45 -7.787 1.007 -4.159 1.00 0.00 C ATOM 661 CE LYS A 45 -8.399 0.275 -5.359 1.00 0.00 C ATOM 662 NZ LYS A 45 -7.603 0.728 -6.535 1.00 0.00 N ATOM 0 H LYS A 45 -8.593 5.369 -3.052 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.488 3.298 -3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.997 4.174 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.863 3.220 -5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.665 2.318 -2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.714 1.980 -4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.789 1.365 -4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.678 0.321 -3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.338 -0.806 -5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.454 0.524 -5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.704 0.040 -7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.948 1.657 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.601 0.804 -6.267 1.00 0.00 H new ATOM 676 N SER A 46 -6.456 5.625 -5.416 1.00 0.00 N ATOM 677 CA SER A 46 -5.530 6.293 -6.386 1.00 0.00 C ATOM 678 C SER A 46 -4.565 7.245 -5.665 1.00 0.00 C ATOM 679 O SER A 46 -4.534 8.433 -5.935 1.00 0.00 O ATOM 680 CB SER A 46 -6.444 7.072 -7.335 1.00 0.00 C ATOM 681 OG SER A 46 -7.000 8.182 -6.643 1.00 0.00 O ATOM 0 H SER A 46 -7.421 5.955 -5.446 1.00 0.00 H new ATOM 0 HA SER A 46 -4.908 5.569 -6.913 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.880 7.415 -8.203 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.239 6.425 -7.707 1.00 0.00 H new ATOM 0 HG SER A 46 -6.285 8.804 -6.394 1.00 0.00 H new ATOM 687 N GLU A 47 -3.771 6.731 -4.758 1.00 0.00 N ATOM 688 CA GLU A 47 -2.799 7.598 -4.025 1.00 0.00 C ATOM 689 C GLU A 47 -1.681 6.749 -3.410 1.00 0.00 C ATOM 690 O GLU A 47 -1.056 7.144 -2.443 1.00 0.00 O ATOM 691 CB GLU A 47 -3.621 8.273 -2.928 1.00 0.00 C ATOM 692 CG GLU A 47 -2.833 9.449 -2.345 1.00 0.00 C ATOM 693 CD GLU A 47 -3.270 10.747 -3.027 1.00 0.00 C ATOM 694 OE1 GLU A 47 -2.717 11.063 -4.067 1.00 0.00 O ATOM 695 OE2 GLU A 47 -4.150 11.404 -2.495 1.00 0.00 O ATOM 0 H GLU A 47 -3.755 5.746 -4.494 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.319 8.322 -4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.570 8.624 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.857 7.555 -2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.002 9.516 -1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.764 9.292 -2.490 1.00 0.00 H new ATOM 702 N PHE A 48 -1.427 5.582 -3.955 1.00 0.00 N ATOM 703 CA PHE A 48 -0.357 4.706 -3.396 1.00 0.00 C ATOM 704 C PHE A 48 0.720 4.440 -4.451 1.00 0.00 C ATOM 705 O PHE A 48 0.723 5.033 -5.513 1.00 0.00 O ATOM 706 CB PHE A 48 -1.054 3.395 -3.028 1.00 0.00 C ATOM 707 CG PHE A 48 -1.686 3.498 -1.668 1.00 0.00 C ATOM 708 CD1 PHE A 48 -2.700 4.429 -1.421 1.00 0.00 C ATOM 709 CD2 PHE A 48 -1.255 2.646 -0.655 1.00 0.00 C ATOM 710 CE1 PHE A 48 -3.281 4.506 -0.150 1.00 0.00 C ATOM 711 CE2 PHE A 48 -1.832 2.720 0.614 1.00 0.00 C ATOM 712 CZ PHE A 48 -2.847 3.651 0.869 1.00 0.00 C ATOM 0 H PHE A 48 -1.918 5.201 -4.764 1.00 0.00 H new ATOM 0 HA PHE A 48 0.132 5.168 -2.538 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.815 3.160 -3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.333 2.577 -3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.034 5.087 -2.209 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.473 1.927 -0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.064 5.225 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.496 2.059 1.399 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.294 3.709 1.851 1.00 0.00 H new ATOM 722 N GLU A 49 1.624 3.539 -4.165 1.00 0.00 N ATOM 723 CA GLU A 49 2.699 3.204 -5.134 1.00 0.00 C ATOM 724 C GLU A 49 3.299 1.836 -4.794 1.00 0.00 C ATOM 725 O GLU A 49 3.837 1.640 -3.721 1.00 0.00 O ATOM 726 CB GLU A 49 3.740 4.312 -4.973 1.00 0.00 C ATOM 727 CG GLU A 49 4.813 4.165 -6.054 1.00 0.00 C ATOM 728 CD GLU A 49 5.467 5.524 -6.312 1.00 0.00 C ATOM 729 OE1 GLU A 49 4.738 6.485 -6.497 1.00 0.00 O ATOM 730 OE2 GLU A 49 6.686 5.581 -6.320 1.00 0.00 O ATOM 0 H GLU A 49 1.660 3.017 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 49 2.334 3.144 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.262 5.289 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.195 4.257 -3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.565 3.442 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.369 3.783 -6.973 1.00 0.00 H new ATOM 737 N LYS A 50 3.207 0.889 -5.695 1.00 0.00 N ATOM 738 CA LYS A 50 3.774 -0.469 -5.416 1.00 0.00 C ATOM 739 C LYS A 50 5.287 -0.370 -5.209 1.00 0.00 C ATOM 740 O LYS A 50 5.906 0.614 -5.567 1.00 0.00 O ATOM 741 CB LYS A 50 3.460 -1.311 -6.655 1.00 0.00 C ATOM 742 CG LYS A 50 1.948 -1.374 -6.871 1.00 0.00 C ATOM 743 CD LYS A 50 1.583 -2.720 -7.502 1.00 0.00 C ATOM 744 CE LYS A 50 1.863 -2.670 -9.005 1.00 0.00 C ATOM 745 NZ LYS A 50 0.651 -2.042 -9.600 1.00 0.00 N ATOM 0 H LYS A 50 2.766 0.996 -6.608 1.00 0.00 H new ATOM 0 HA LYS A 50 3.350 -0.910 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.944 -0.879 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.861 -2.317 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.428 -1.252 -5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.627 -0.557 -7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.162 -3.520 -7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.531 -2.944 -7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.757 -2.085 -9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.029 -3.668 -9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.932 -1.224 -10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.158 -2.736 -10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.015 -1.726 -8.840 1.00 0.00 H new ATOM 759 N LEU A 51 5.884 -1.385 -4.637 1.00 0.00 N ATOM 760 CA LEU A 51 7.360 -1.356 -4.408 1.00 0.00 C ATOM 761 C LEU A 51 8.100 -1.711 -5.700 1.00 0.00 C ATOM 762 O LEU A 51 9.198 -1.249 -5.945 1.00 0.00 O ATOM 763 CB LEU A 51 7.620 -2.414 -3.333 1.00 0.00 C ATOM 764 CG LEU A 51 8.791 -1.969 -2.455 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.673 -2.620 -1.076 1.00 0.00 C ATOM 766 CD2 LEU A 51 10.108 -2.398 -3.108 1.00 0.00 C ATOM 0 H LEU A 51 5.413 -2.232 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 51 7.710 -0.371 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.728 -2.556 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.844 -3.374 -3.798 1.00 0.00 H new ATOM 0 HG LEU A 51 8.772 -0.884 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.508 -2.302 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.735 -2.318 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.692 -3.705 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.944 -2.082 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.125 -3.483 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.194 -1.935 -4.091 1.00 0.00 H new ATOM 778 N GLU A 52 7.503 -2.534 -6.526 1.00 0.00 N ATOM 779 CA GLU A 52 8.159 -2.936 -7.808 1.00 0.00 C ATOM 780 C GLU A 52 8.534 -1.702 -8.640 1.00 0.00 C ATOM 781 O GLU A 52 7.679 -0.945 -9.060 1.00 0.00 O ATOM 782 CB GLU A 52 7.122 -3.792 -8.546 1.00 0.00 C ATOM 783 CG GLU A 52 5.848 -2.977 -8.797 1.00 0.00 C ATOM 784 CD GLU A 52 4.673 -3.927 -9.040 1.00 0.00 C ATOM 785 OE1 GLU A 52 4.045 -4.320 -8.070 1.00 0.00 O ATOM 786 OE2 GLU A 52 4.421 -4.244 -10.191 1.00 0.00 O ATOM 0 H GLU A 52 6.584 -2.947 -6.366 1.00 0.00 H new ATOM 0 HA GLU A 52 9.085 -3.484 -7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.534 -4.139 -9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.886 -4.679 -7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.640 -2.335 -7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.985 -2.324 -9.659 1.00 0.00 H new ATOM 793 N ASP A 53 9.806 -1.498 -8.878 1.00 0.00 N ATOM 794 CA ASP A 53 10.250 -0.316 -9.679 1.00 0.00 C ATOM 795 C ASP A 53 9.570 -0.309 -11.053 1.00 0.00 C ATOM 796 O ASP A 53 8.571 0.377 -11.195 1.00 0.00 O ATOM 797 CB ASP A 53 11.765 -0.478 -9.835 1.00 0.00 C ATOM 798 CG ASP A 53 12.486 0.385 -8.797 1.00 0.00 C ATOM 799 OD1 ASP A 53 12.734 1.543 -9.087 1.00 0.00 O ATOM 800 OD2 ASP A 53 12.775 -0.127 -7.727 1.00 0.00 O ATOM 801 OXT ASP A 53 10.060 -0.991 -11.939 1.00 0.00 O ATOM 0 H ASP A 53 10.559 -2.103 -8.550 1.00 0.00 H new ATOM 0 HA ASP A 53 9.988 0.623 -9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.043 -1.524 -9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.070 -0.186 -10.840 1.00 0.00 H new TER 806 ASP A 53