USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 583 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 3 THR OG1 : rot -44:sc= 0.589 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 16 ASN : amide:sc= 1.13 K(o=1.1,f=-0.14) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 0.944 (180deg=0.302) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= 1.44 (180deg=1.33) USER MOD Single : A 31 SER OG : rot -129:sc= -1.87! USER MOD Single : A 33 THR OG1 : rot 103:sc= 1.28 USER MOD Single : A 40 SER OG : rot 180:sc= -0.349 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -119:sc= -0.153 (180deg=-0.867) USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0494) USER MOD Single : A 64 LYS NZ :NH3+ -155:sc= 0.742 (180deg=0.31) USER MOD Single : A 65 ASN : amide:sc= 1.21 K(o=1.2,f=-0.16) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 1.14 (180deg=1.03) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 73 THR OG1 : rot -95:sc= 1.17 USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= -0.0505 (180deg=-0.276) USER MOD Single : A 75 TYR OH : rot 30:sc= -2.94! USER MOD ----------------------------------------------------------------- ATOM 13 N ALA A 2 9.435 9.045 -2.998 1.00 1.12 N ATOM 14 CA ALA A 2 8.276 9.794 -2.540 1.00 0.91 C ATOM 15 C ALA A 2 8.135 9.588 -1.088 1.00 0.87 C ATOM 16 O ALA A 2 8.614 8.598 -0.553 1.00 1.07 O ATOM 17 CB ALA A 2 7.019 9.366 -3.287 1.00 0.92 C ATOM 0 HA ALA A 2 8.416 10.855 -2.744 1.00 0.91 H new ATOM 0 HB1 ALA A 2 6.167 9.942 -2.925 1.00 0.92 H new ATOM 0 HB2 ALA A 2 7.151 9.545 -4.354 1.00 0.92 H new ATOM 0 HB3 ALA A 2 6.838 8.305 -3.117 1.00 0.92 H new ATOM 23 N THR A 3 7.528 10.510 -0.444 1.00 0.76 N ATOM 24 CA THR A 3 7.395 10.440 0.951 1.00 0.76 C ATOM 25 C THR A 3 6.077 9.834 1.405 1.00 0.56 C ATOM 26 O THR A 3 5.245 9.556 0.574 1.00 0.48 O ATOM 27 CB THR A 3 7.795 11.735 1.643 1.00 0.97 C ATOM 28 OG1 THR A 3 7.275 12.901 0.941 1.00 1.45 O ATOM 29 CG2 THR A 3 9.297 11.817 1.785 1.00 1.57 C ATOM 0 H THR A 3 7.110 11.335 -0.874 1.00 0.76 H new ATOM 0 HA THR A 3 8.131 9.715 1.299 1.00 0.76 H new ATOM 0 HB THR A 3 7.352 11.731 2.639 1.00 0.97 H new ATOM 0 HG1 THR A 3 7.414 12.791 -0.023 1.00 1.45 H new ATOM 0 HG21 THR A 3 9.565 12.749 2.282 1.00 1.57 H new ATOM 0 HG22 THR A 3 9.653 10.974 2.378 1.00 1.57 H new ATOM 0 HG23 THR A 3 9.758 11.786 0.798 1.00 1.57 H new ATOM 37 N GLN A 4 5.872 9.660 2.713 1.00 0.58 N ATOM 38 CA GLN A 4 4.741 8.864 3.214 1.00 0.52 C ATOM 39 C GLN A 4 3.357 9.299 2.741 1.00 0.49 C ATOM 40 O GLN A 4 2.535 8.447 2.409 1.00 0.51 O ATOM 41 CB GLN A 4 4.778 8.632 4.726 1.00 0.65 C ATOM 42 CG GLN A 4 4.665 9.862 5.595 1.00 1.14 C ATOM 43 CD GLN A 4 4.619 9.486 7.057 1.00 1.21 C ATOM 44 OE1 GLN A 4 5.182 8.472 7.471 1.00 1.64 O ATOM 45 NE2 GLN A 4 3.946 10.270 7.847 1.00 1.76 N ATOM 0 H GLN A 4 6.467 10.055 3.442 1.00 0.58 H new ATOM 0 HA GLN A 4 4.904 7.900 2.732 1.00 0.52 H new ATOM 0 HB2 GLN A 4 3.967 7.953 4.988 1.00 0.65 H new ATOM 0 HB3 GLN A 4 5.711 8.124 4.971 1.00 0.65 H new ATOM 0 HG2 GLN A 4 5.513 10.521 5.411 1.00 1.14 H new ATOM 0 HG3 GLN A 4 3.766 10.418 5.330 1.00 1.14 H new ATOM 0 HE21 GLN A 4 3.491 11.103 7.473 1.00 1.76 H new ATOM 0 HE22 GLN A 4 3.873 10.052 8.841 1.00 1.76 H new ATOM 54 N GLU A 5 3.109 10.586 2.641 1.00 0.53 N ATOM 55 CA GLU A 5 1.798 11.046 2.217 1.00 0.58 C ATOM 56 C GLU A 5 1.654 10.804 0.713 1.00 0.53 C ATOM 57 O GLU A 5 0.574 10.478 0.213 1.00 0.60 O ATOM 58 CB GLU A 5 1.595 12.526 2.567 1.00 0.72 C ATOM 59 CG GLU A 5 0.195 13.048 2.288 1.00 1.48 C ATOM 60 CD GLU A 5 0.049 14.513 2.603 1.00 2.18 C ATOM 61 OE1 GLU A 5 -0.056 14.874 3.786 1.00 3.05 O ATOM 62 OE2 GLU A 5 0.005 15.335 1.667 1.00 2.49 O ATOM 0 H GLU A 5 3.783 11.325 2.843 1.00 0.53 H new ATOM 0 HA GLU A 5 1.026 10.487 2.746 1.00 0.58 H new ATOM 0 HB2 GLU A 5 1.821 12.672 3.623 1.00 0.72 H new ATOM 0 HB3 GLU A 5 2.312 13.122 2.003 1.00 0.72 H new ATOM 0 HG2 GLU A 5 -0.049 12.880 1.239 1.00 1.48 H new ATOM 0 HG3 GLU A 5 -0.525 12.480 2.878 1.00 1.48 H new ATOM 69 N GLU A 6 2.760 10.921 0.009 1.00 0.50 N ATOM 70 CA GLU A 6 2.806 10.670 -1.424 1.00 0.50 C ATOM 71 C GLU A 6 2.684 9.170 -1.681 1.00 0.42 C ATOM 72 O GLU A 6 2.031 8.742 -2.632 1.00 0.43 O ATOM 73 CB GLU A 6 4.111 11.177 -2.006 1.00 0.59 C ATOM 74 CG GLU A 6 4.369 12.641 -1.759 1.00 1.06 C ATOM 75 CD GLU A 6 5.701 13.073 -2.282 1.00 1.75 C ATOM 76 OE1 GLU A 6 6.732 12.742 -1.668 1.00 2.53 O ATOM 77 OE2 GLU A 6 5.748 13.746 -3.331 1.00 2.16 O ATOM 0 H GLU A 6 3.657 11.193 0.411 1.00 0.50 H new ATOM 0 HA GLU A 6 1.979 11.195 -1.901 1.00 0.50 H new ATOM 0 HB2 GLU A 6 4.933 10.598 -1.585 1.00 0.59 H new ATOM 0 HB3 GLU A 6 4.112 10.996 -3.081 1.00 0.59 H new ATOM 0 HG2 GLU A 6 3.585 13.232 -2.233 1.00 1.06 H new ATOM 0 HG3 GLU A 6 4.317 12.842 -0.689 1.00 1.06 H new ATOM 84 N ILE A 7 3.315 8.384 -0.818 1.00 0.36 N ATOM 85 CA ILE A 7 3.260 6.942 -0.891 1.00 0.33 C ATOM 86 C ILE A 7 1.804 6.488 -0.747 1.00 0.30 C ATOM 87 O ILE A 7 1.287 5.778 -1.592 1.00 0.30 O ATOM 88 CB ILE A 7 4.118 6.262 0.221 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.613 6.604 0.082 1.00 0.40 C ATOM 90 CG2 ILE A 7 3.923 4.744 0.211 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.240 6.201 -1.234 1.00 0.45 C ATOM 0 H ILE A 7 3.880 8.737 -0.046 1.00 0.36 H new ATOM 0 HA ILE A 7 3.668 6.643 -1.856 1.00 0.33 H new ATOM 0 HB ILE A 7 3.771 6.656 1.176 1.00 0.36 H new ATOM 0 HG12 ILE A 7 5.738 7.679 0.213 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.158 6.118 0.891 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.532 4.294 0.995 1.00 0.40 H new ATOM 0 HG22 ILE A 7 2.873 4.511 0.388 1.00 0.40 H new ATOM 0 HG23 ILE A 7 4.225 4.345 -0.757 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.293 6.483 -1.237 1.00 0.45 H new ATOM 0 HD12 ILE A 7 6.153 5.122 -1.363 1.00 0.45 H new ATOM 0 HD13 ILE A 7 5.727 6.707 -2.052 1.00 0.45 H new ATOM 103 N VAL A 8 1.149 6.928 0.329 1.00 0.31 N ATOM 104 CA VAL A 8 -0.256 6.579 0.582 1.00 0.35 C ATOM 105 C VAL A 8 -1.155 7.007 -0.591 1.00 0.34 C ATOM 106 O VAL A 8 -2.031 6.247 -1.027 1.00 0.36 O ATOM 107 CB VAL A 8 -0.772 7.184 1.921 1.00 0.45 C ATOM 108 CG1 VAL A 8 -2.228 6.861 2.131 1.00 0.57 C ATOM 109 CG2 VAL A 8 0.019 6.636 3.084 1.00 0.49 C ATOM 0 H VAL A 8 1.567 7.527 1.041 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.304 5.494 0.672 1.00 0.35 H new ATOM 0 HB VAL A 8 -0.647 8.265 1.865 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.565 7.294 3.073 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.814 7.275 1.311 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.360 5.779 2.162 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -0.353 7.068 4.013 1.00 0.49 H new ATOM 0 HG22 VAL A 8 -0.089 5.552 3.119 1.00 0.49 H new ATOM 0 HG23 VAL A 8 1.071 6.892 2.961 1.00 0.49 H new ATOM 119 N ALA A 9 -0.909 8.196 -1.115 1.00 0.37 N ATOM 120 CA ALA A 9 -1.648 8.697 -2.264 1.00 0.41 C ATOM 121 C ALA A 9 -1.445 7.795 -3.479 1.00 0.37 C ATOM 122 O ALA A 9 -2.395 7.505 -4.211 1.00 0.43 O ATOM 123 CB ALA A 9 -1.215 10.104 -2.592 1.00 0.48 C ATOM 0 H ALA A 9 -0.199 8.837 -0.761 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.708 8.700 -2.009 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -1.776 10.466 -3.454 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -1.406 10.752 -1.737 1.00 0.48 H new ATOM 0 HB3 ALA A 9 -0.150 10.112 -2.823 1.00 0.48 H new ATOM 129 N GLY A 10 -0.220 7.341 -3.669 1.00 0.33 N ATOM 130 CA GLY A 10 0.102 6.461 -4.767 1.00 0.34 C ATOM 131 C GLY A 10 -0.559 5.116 -4.590 1.00 0.31 C ATOM 132 O GLY A 10 -1.030 4.523 -5.542 1.00 0.37 O ATOM 0 H GLY A 10 0.572 7.572 -3.069 1.00 0.33 H new ATOM 0 HA2 GLY A 10 -0.223 6.910 -5.706 1.00 0.34 H new ATOM 0 HA3 GLY A 10 1.183 6.334 -4.832 1.00 0.34 H new ATOM 136 N LEU A 11 -0.599 4.650 -3.349 1.00 0.26 N ATOM 137 CA LEU A 11 -1.269 3.407 -2.994 1.00 0.25 C ATOM 138 C LEU A 11 -2.731 3.487 -3.400 1.00 0.23 C ATOM 139 O LEU A 11 -3.280 2.564 -4.014 1.00 0.24 O ATOM 140 CB LEU A 11 -1.149 3.150 -1.478 1.00 0.28 C ATOM 141 CG LEU A 11 0.256 2.835 -0.950 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.273 2.818 0.574 1.00 0.33 C ATOM 143 CD2 LEU A 11 0.733 1.497 -1.486 1.00 0.32 C ATOM 0 H LEU A 11 -0.166 5.126 -2.557 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.795 2.580 -3.522 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.523 4.028 -0.952 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.806 2.319 -1.219 1.00 0.28 H new ATOM 0 HG LEU A 11 0.930 3.619 -1.295 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.280 2.592 0.924 1.00 0.33 H new ATOM 0 HD12 LEU A 11 -0.033 3.794 0.952 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.417 2.056 0.937 1.00 0.33 H new ATOM 0 HD21 LEU A 11 1.732 1.287 -1.103 1.00 0.32 H new ATOM 0 HD22 LEU A 11 0.048 0.712 -1.165 1.00 0.32 H new ATOM 0 HD23 LEU A 11 0.762 1.531 -2.575 1.00 0.32 H new ATOM 155 N ALA A 12 -3.331 4.629 -3.113 1.00 0.23 N ATOM 156 CA ALA A 12 -4.714 4.881 -3.427 1.00 0.23 C ATOM 157 C ALA A 12 -4.971 4.918 -4.929 1.00 0.21 C ATOM 158 O ALA A 12 -6.069 4.635 -5.354 1.00 0.24 O ATOM 159 CB ALA A 12 -5.194 6.147 -2.767 1.00 0.28 C ATOM 0 H ALA A 12 -2.863 5.409 -2.652 1.00 0.23 H new ATOM 0 HA ALA A 12 -5.287 4.044 -3.028 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -6.241 6.315 -3.020 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -5.092 6.055 -1.686 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.597 6.989 -3.117 1.00 0.28 H new ATOM 165 N GLU A 13 -3.954 5.250 -5.725 1.00 0.24 N ATOM 166 CA GLU A 13 -4.077 5.230 -7.193 1.00 0.29 C ATOM 167 C GLU A 13 -4.436 3.828 -7.643 1.00 0.28 C ATOM 168 O GLU A 13 -5.404 3.613 -8.396 1.00 0.37 O ATOM 169 CB GLU A 13 -2.764 5.656 -7.861 1.00 0.42 C ATOM 170 CG GLU A 13 -2.339 7.088 -7.593 1.00 0.94 C ATOM 171 CD GLU A 13 -3.211 8.098 -8.287 1.00 1.53 C ATOM 172 OE1 GLU A 13 -3.046 8.329 -9.485 1.00 1.55 O ATOM 173 OE2 GLU A 13 -4.119 8.652 -7.630 1.00 2.48 O ATOM 0 H GLU A 13 -3.036 5.536 -5.384 1.00 0.24 H new ATOM 0 HA GLU A 13 -4.857 5.933 -7.486 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -1.970 4.989 -7.524 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -2.861 5.518 -8.938 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -2.362 7.273 -6.519 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -1.307 7.222 -7.918 1.00 0.94 H new ATOM 180 N ILE A 14 -3.695 2.865 -7.133 1.00 0.24 N ATOM 181 CA ILE A 14 -3.938 1.493 -7.470 1.00 0.28 C ATOM 182 C ILE A 14 -5.201 0.996 -6.748 1.00 0.25 C ATOM 183 O ILE A 14 -6.029 0.323 -7.343 1.00 0.32 O ATOM 184 CB ILE A 14 -2.723 0.529 -7.191 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.452 0.906 -7.995 1.00 0.43 C ATOM 186 CG2 ILE A 14 -3.106 -0.888 -7.542 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.699 2.121 -7.506 1.00 0.44 C ATOM 0 H ILE A 14 -2.922 3.016 -6.485 1.00 0.24 H new ATOM 0 HA ILE A 14 -4.084 1.466 -8.550 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.489 0.625 -6.131 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -0.773 0.053 -7.985 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -1.739 1.073 -9.033 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -2.263 -1.551 -7.348 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -3.958 -1.196 -6.935 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -3.374 -0.942 -8.597 1.00 0.42 H new ATOM 0 HD11 ILE A 14 0.170 2.291 -8.142 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -1.352 2.993 -7.544 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -0.371 1.957 -6.479 1.00 0.44 H new ATOM 199 N VAL A 15 -5.382 1.373 -5.479 1.00 0.22 N ATOM 200 CA VAL A 15 -6.574 0.943 -4.739 1.00 0.22 C ATOM 201 C VAL A 15 -7.877 1.517 -5.373 1.00 0.22 C ATOM 202 O VAL A 15 -8.944 0.912 -5.295 1.00 0.25 O ATOM 203 CB VAL A 15 -6.504 1.241 -3.197 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.741 0.726 -2.483 1.00 0.30 C ATOM 205 CG2 VAL A 15 -5.285 0.595 -2.572 1.00 0.34 C ATOM 0 H VAL A 15 -4.736 1.961 -4.952 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.601 -0.143 -4.828 1.00 0.22 H new ATOM 0 HB VAL A 15 -6.442 2.324 -3.086 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.665 0.946 -1.418 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.626 1.213 -2.892 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.821 -0.352 -2.626 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -5.262 0.818 -1.505 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -5.331 -0.484 -2.717 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -4.384 0.986 -3.044 1.00 0.34 H new ATOM 215 N ASN A 16 -7.759 2.646 -6.051 1.00 0.24 N ATOM 216 CA ASN A 16 -8.884 3.253 -6.779 1.00 0.30 C ATOM 217 C ASN A 16 -9.195 2.432 -8.023 1.00 0.34 C ATOM 218 O ASN A 16 -10.338 2.320 -8.439 1.00 0.43 O ATOM 219 CB ASN A 16 -8.558 4.705 -7.184 1.00 0.37 C ATOM 220 CG ASN A 16 -9.691 5.402 -7.929 1.00 0.50 C ATOM 221 OD1 ASN A 16 -9.794 5.319 -9.148 1.00 0.95 O ATOM 222 ND2 ASN A 16 -10.513 6.120 -7.222 1.00 0.48 N ATOM 0 H ASN A 16 -6.889 3.174 -6.118 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.753 3.265 -6.121 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -8.318 5.278 -6.288 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -7.667 4.707 -7.812 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -11.267 6.632 -7.680 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.404 6.171 -6.209 1.00 0.48 H new ATOM 229 N GLU A 17 -8.167 1.830 -8.573 1.00 0.37 N ATOM 230 CA GLU A 17 -8.273 1.014 -9.769 1.00 0.48 C ATOM 231 C GLU A 17 -8.807 -0.380 -9.419 1.00 0.47 C ATOM 232 O GLU A 17 -9.568 -0.984 -10.175 1.00 0.60 O ATOM 233 CB GLU A 17 -6.889 0.918 -10.419 1.00 0.63 C ATOM 234 CG GLU A 17 -6.829 0.134 -11.707 1.00 1.05 C ATOM 235 CD GLU A 17 -5.440 0.094 -12.273 1.00 1.51 C ATOM 236 OE1 GLU A 17 -5.075 1.007 -13.043 1.00 1.70 O ATOM 237 OE2 GLU A 17 -4.684 -0.859 -11.970 1.00 2.11 O ATOM 0 H GLU A 17 -7.219 1.891 -8.201 1.00 0.37 H new ATOM 0 HA GLU A 17 -8.973 1.471 -10.469 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -6.526 1.928 -10.611 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -6.202 0.463 -9.705 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -7.178 -0.883 -11.530 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -7.505 0.581 -12.436 1.00 1.05 H new ATOM 244 N ILE A 18 -8.405 -0.870 -8.271 1.00 0.39 N ATOM 245 CA ILE A 18 -8.799 -2.192 -7.816 1.00 0.43 C ATOM 246 C ILE A 18 -10.178 -2.168 -7.151 1.00 0.44 C ATOM 247 O ILE A 18 -11.071 -2.911 -7.543 1.00 0.53 O ATOM 248 CB ILE A 18 -7.744 -2.729 -6.807 1.00 0.44 C ATOM 249 CG1 ILE A 18 -6.379 -2.878 -7.484 1.00 0.52 C ATOM 250 CG2 ILE A 18 -8.179 -4.050 -6.181 1.00 0.50 C ATOM 251 CD1 ILE A 18 -6.373 -3.820 -8.665 1.00 0.71 C ATOM 0 H ILE A 18 -7.797 -0.369 -7.623 1.00 0.39 H new ATOM 0 HA ILE A 18 -8.854 -2.848 -8.685 1.00 0.43 H new ATOM 0 HB ILE A 18 -7.659 -1.998 -6.003 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -6.041 -1.896 -7.815 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -5.657 -3.232 -6.748 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -7.415 -4.391 -5.483 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -9.120 -3.908 -5.649 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -8.314 -4.796 -6.964 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -5.369 -3.869 -9.087 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -6.678 -4.814 -8.339 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -7.068 -3.458 -9.423 1.00 0.71 H new ATOM 263 N ALA A 19 -10.352 -1.310 -6.174 1.00 0.40 N ATOM 264 CA ALA A 19 -11.591 -1.277 -5.420 1.00 0.46 C ATOM 265 C ALA A 19 -12.393 -0.022 -5.719 1.00 0.45 C ATOM 266 O ALA A 19 -13.602 -0.084 -5.920 1.00 0.68 O ATOM 267 CB ALA A 19 -11.299 -1.392 -3.931 1.00 0.52 C ATOM 0 H ALA A 19 -9.656 -0.625 -5.880 1.00 0.40 H new ATOM 0 HA ALA A 19 -12.197 -2.129 -5.727 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -12.235 -1.366 -3.374 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -10.784 -2.332 -3.733 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -10.668 -0.560 -3.619 1.00 0.52 H new ATOM 273 N GLY A 20 -11.721 1.110 -5.740 1.00 0.44 N ATOM 274 CA GLY A 20 -12.403 2.356 -6.026 1.00 0.46 C ATOM 275 C GLY A 20 -12.657 3.172 -4.784 1.00 0.52 C ATOM 276 O GLY A 20 -13.705 3.055 -4.156 1.00 0.93 O ATOM 0 H GLY A 20 -10.720 1.195 -5.566 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -11.806 2.941 -6.726 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.352 2.143 -6.517 1.00 0.46 H new ATOM 280 N ILE A 21 -11.693 3.972 -4.424 1.00 0.38 N ATOM 281 CA ILE A 21 -11.777 4.839 -3.266 1.00 0.39 C ATOM 282 C ILE A 21 -11.233 6.204 -3.605 1.00 0.43 C ATOM 283 O ILE A 21 -10.425 6.326 -4.534 1.00 0.50 O ATOM 284 CB ILE A 21 -11.031 4.254 -2.016 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.733 3.494 -2.378 1.00 0.41 C ATOM 286 CG2 ILE A 21 -11.947 3.406 -1.163 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.606 4.340 -2.942 1.00 0.43 C ATOM 0 H ILE A 21 -10.810 4.047 -4.930 1.00 0.38 H new ATOM 0 HA ILE A 21 -12.831 4.917 -2.998 1.00 0.39 H new ATOM 0 HB ILE A 21 -10.723 5.116 -1.424 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -9.369 2.988 -1.484 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -9.979 2.719 -3.104 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -11.393 3.019 -0.308 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -12.781 4.013 -0.811 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -12.328 2.574 -1.755 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.748 3.704 -3.159 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -8.939 4.826 -3.859 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -8.321 5.098 -2.213 1.00 0.43 H new ATOM 299 N PRO A 22 -11.665 7.248 -2.902 1.00 0.52 N ATOM 300 CA PRO A 22 -11.147 8.581 -3.116 1.00 0.60 C ATOM 301 C PRO A 22 -9.686 8.647 -2.686 1.00 0.55 C ATOM 302 O PRO A 22 -9.345 8.325 -1.538 1.00 0.52 O ATOM 303 CB PRO A 22 -12.008 9.470 -2.211 1.00 0.74 C ATOM 304 CG PRO A 22 -13.174 8.627 -1.820 1.00 0.75 C ATOM 305 CD PRO A 22 -12.690 7.218 -1.847 1.00 0.63 C ATOM 0 HA PRO A 22 -11.187 8.887 -4.161 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -11.448 9.797 -1.335 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -12.332 10.369 -2.736 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -13.535 8.897 -0.827 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -14.006 8.767 -2.510 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -12.274 6.914 -0.886 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.492 6.519 -2.082 1.00 0.63 H new ATOM 313 N VAL A 23 -8.831 9.064 -3.590 1.00 0.62 N ATOM 314 CA VAL A 23 -7.384 9.128 -3.343 1.00 0.65 C ATOM 315 C VAL A 23 -6.977 10.129 -2.245 1.00 0.73 C ATOM 316 O VAL A 23 -5.817 10.159 -1.816 1.00 1.02 O ATOM 317 CB VAL A 23 -6.590 9.422 -4.626 1.00 0.78 C ATOM 318 CG1 VAL A 23 -6.748 8.284 -5.624 1.00 1.48 C ATOM 319 CG2 VAL A 23 -7.061 10.737 -5.228 1.00 1.35 C ATOM 0 H VAL A 23 -9.105 9.372 -4.523 1.00 0.62 H new ATOM 0 HA VAL A 23 -7.129 8.132 -2.981 1.00 0.65 H new ATOM 0 HB VAL A 23 -5.532 9.507 -4.379 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -6.179 8.510 -6.526 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -6.377 7.359 -5.183 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -7.801 8.167 -5.879 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -6.497 10.944 -6.137 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -8.122 10.668 -5.467 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -6.902 11.543 -4.511 1.00 1.35 H new ATOM 329 N GLU A 24 -7.925 10.920 -1.791 1.00 0.66 N ATOM 330 CA GLU A 24 -7.691 11.866 -0.716 1.00 0.76 C ATOM 331 C GLU A 24 -8.146 11.275 0.603 1.00 0.69 C ATOM 332 O GLU A 24 -7.763 11.743 1.676 1.00 0.80 O ATOM 333 CB GLU A 24 -8.478 13.152 -0.947 1.00 0.99 C ATOM 334 CG GLU A 24 -9.970 12.920 -1.124 1.00 1.22 C ATOM 335 CD GLU A 24 -10.796 13.986 -0.471 1.00 1.54 C ATOM 336 OE1 GLU A 24 -11.006 15.049 -1.112 1.00 1.89 O ATOM 337 OE2 GLU A 24 -11.240 13.803 0.672 1.00 2.03 O ATOM 0 H GLU A 24 -8.878 10.927 -2.154 1.00 0.66 H new ATOM 0 HA GLU A 24 -6.623 12.083 -0.692 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -8.319 13.823 -0.103 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -8.088 13.655 -1.832 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -10.205 12.883 -2.188 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -10.236 11.950 -0.704 1.00 1.22 H new ATOM 344 N ASP A 25 -8.961 10.241 0.516 1.00 0.60 N ATOM 345 CA ASP A 25 -9.587 9.680 1.689 1.00 0.64 C ATOM 346 C ASP A 25 -8.674 8.678 2.325 1.00 0.55 C ATOM 347 O ASP A 25 -8.702 8.456 3.538 1.00 0.58 O ATOM 348 CB ASP A 25 -10.911 9.038 1.326 1.00 0.72 C ATOM 349 CG ASP A 25 -11.760 8.803 2.549 1.00 0.90 C ATOM 350 OD1 ASP A 25 -12.398 9.762 3.050 1.00 1.07 O ATOM 351 OD2 ASP A 25 -11.819 7.649 3.017 1.00 0.98 O ATOM 0 H ASP A 25 -9.203 9.775 -0.358 1.00 0.60 H new ATOM 0 HA ASP A 25 -9.780 10.481 2.403 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -11.448 9.678 0.626 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.731 8.090 0.818 1.00 0.72 H new ATOM 356 N VAL A 26 -7.860 8.072 1.505 1.00 0.51 N ATOM 357 CA VAL A 26 -6.854 7.156 1.962 1.00 0.47 C ATOM 358 C VAL A 26 -5.705 7.973 2.522 1.00 0.47 C ATOM 359 O VAL A 26 -4.850 8.465 1.786 1.00 0.51 O ATOM 360 CB VAL A 26 -6.377 6.227 0.819 1.00 0.51 C ATOM 361 CG1 VAL A 26 -5.355 5.211 1.325 1.00 0.73 C ATOM 362 CG2 VAL A 26 -7.565 5.508 0.213 1.00 0.70 C ATOM 0 H VAL A 26 -7.877 8.202 0.493 1.00 0.51 H new ATOM 0 HA VAL A 26 -7.264 6.507 2.736 1.00 0.47 H new ATOM 0 HB VAL A 26 -5.896 6.841 0.058 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -5.038 4.572 0.501 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -4.490 5.736 1.731 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -5.806 4.599 2.106 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -7.224 4.856 -0.591 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -8.059 4.911 0.980 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -8.268 6.239 -0.187 1.00 0.70 H new ATOM 372 N LYS A 27 -5.812 8.253 3.793 1.00 0.49 N ATOM 373 CA LYS A 27 -4.832 9.009 4.524 1.00 0.54 C ATOM 374 C LYS A 27 -3.980 8.040 5.330 1.00 0.47 C ATOM 375 O LYS A 27 -4.229 6.837 5.290 1.00 0.51 O ATOM 376 CB LYS A 27 -5.553 9.986 5.446 1.00 0.65 C ATOM 377 CG LYS A 27 -6.522 10.892 4.710 1.00 0.83 C ATOM 378 CD LYS A 27 -7.308 11.762 5.661 1.00 1.53 C ATOM 379 CE LYS A 27 -8.355 12.576 4.923 1.00 2.02 C ATOM 380 NZ LYS A 27 -7.765 13.506 3.934 1.00 2.83 N ATOM 0 H LYS A 27 -6.603 7.954 4.363 1.00 0.49 H new ATOM 0 HA LYS A 27 -4.190 9.573 3.848 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -6.095 9.425 6.207 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -4.816 10.598 5.966 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -5.971 11.522 4.011 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -7.209 10.286 4.119 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -7.792 11.138 6.413 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -6.630 12.431 6.190 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -9.042 11.900 4.414 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -8.942 13.144 5.644 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -8.384 14.334 3.824 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -6.828 13.815 4.264 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -7.667 13.023 3.018 1.00 2.83 H new ATOM 394 N LEU A 28 -3.039 8.561 6.099 1.00 0.49 N ATOM 395 CA LEU A 28 -2.069 7.746 6.867 1.00 0.47 C ATOM 396 C LEU A 28 -2.719 6.748 7.841 1.00 0.50 C ATOM 397 O LEU A 28 -2.133 5.713 8.146 1.00 0.56 O ATOM 398 CB LEU A 28 -1.049 8.630 7.633 1.00 0.54 C ATOM 399 CG LEU A 28 0.096 9.302 6.830 1.00 0.53 C ATOM 400 CD1 LEU A 28 0.972 8.267 6.150 1.00 1.07 C ATOM 401 CD2 LEU A 28 -0.418 10.327 5.823 1.00 0.99 C ATOM 0 H LEU A 28 -2.913 9.566 6.219 1.00 0.49 H new ATOM 0 HA LEU A 28 -1.547 7.160 6.111 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -1.607 9.418 8.138 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.593 8.015 8.409 1.00 0.54 H new ATOM 0 HG LEU A 28 0.705 9.845 7.553 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.765 8.769 5.596 1.00 1.07 H new ATOM 0 HD12 LEU A 28 1.413 7.613 6.902 1.00 1.07 H new ATOM 0 HD13 LEU A 28 0.368 7.674 5.463 1.00 1.07 H new ATOM 0 HD21 LEU A 28 0.424 10.766 5.289 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -1.083 9.837 5.112 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.963 11.111 6.348 1.00 0.99 H new ATOM 413 N ASP A 29 -3.916 7.029 8.308 1.00 0.56 N ATOM 414 CA ASP A 29 -4.573 6.147 9.280 1.00 0.65 C ATOM 415 C ASP A 29 -5.497 5.145 8.637 1.00 0.61 C ATOM 416 O ASP A 29 -6.367 4.576 9.293 1.00 1.03 O ATOM 417 CB ASP A 29 -5.287 6.933 10.384 1.00 0.87 C ATOM 418 CG ASP A 29 -4.318 7.643 11.292 1.00 1.73 C ATOM 419 OD1 ASP A 29 -3.717 7.000 12.181 1.00 2.34 O ATOM 420 OD2 ASP A 29 -4.143 8.870 11.147 1.00 2.47 O ATOM 0 H ASP A 29 -4.459 7.850 8.041 1.00 0.56 H new ATOM 0 HA ASP A 29 -3.771 5.576 9.748 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -5.960 7.662 9.932 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -5.903 6.253 10.973 1.00 0.87 H new ATOM 425 N LYS A 30 -5.306 4.912 7.376 1.00 0.43 N ATOM 426 CA LYS A 30 -6.047 3.901 6.661 1.00 0.39 C ATOM 427 C LYS A 30 -5.323 2.556 6.742 1.00 0.38 C ATOM 428 O LYS A 30 -4.161 2.480 7.146 1.00 0.57 O ATOM 429 CB LYS A 30 -6.195 4.290 5.191 1.00 0.44 C ATOM 430 CG LYS A 30 -7.328 5.250 4.846 1.00 0.51 C ATOM 431 CD LYS A 30 -8.668 4.546 4.899 1.00 0.75 C ATOM 432 CE LYS A 30 -9.785 5.355 4.240 1.00 0.98 C ATOM 433 NZ LYS A 30 -10.205 6.555 4.998 1.00 1.06 N ATOM 0 H LYS A 30 -4.629 5.417 6.804 1.00 0.43 H new ATOM 0 HA LYS A 30 -7.032 3.817 7.119 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -5.258 4.738 4.862 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -6.333 3.378 4.610 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -7.325 6.088 5.543 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -7.169 5.664 3.850 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -8.585 3.578 4.404 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -8.931 4.351 5.939 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -9.455 5.665 3.248 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -10.651 4.708 4.100 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -11.080 6.938 4.585 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -10.375 6.297 5.991 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -9.456 7.275 4.951 1.00 1.06 H new ATOM 447 N SER A 31 -6.009 1.532 6.355 1.00 0.46 N ATOM 448 CA SER A 31 -5.493 0.193 6.241 1.00 0.44 C ATOM 449 C SER A 31 -6.220 -0.413 5.072 1.00 0.45 C ATOM 450 O SER A 31 -7.220 0.166 4.643 1.00 0.57 O ATOM 451 CB SER A 31 -5.756 -0.567 7.524 1.00 0.49 C ATOM 452 OG SER A 31 -7.094 -0.392 7.922 1.00 1.31 O ATOM 0 H SER A 31 -6.993 1.602 6.095 1.00 0.46 H new ATOM 0 HA SER A 31 -4.415 0.166 6.083 1.00 0.44 H new ATOM 0 HB2 SER A 31 -5.547 -1.627 7.378 1.00 0.49 H new ATOM 0 HB3 SER A 31 -5.086 -0.215 8.308 1.00 0.49 H new ATOM 0 HG SER A 31 -7.122 -0.112 8.861 1.00 1.31 H new ATOM 458 N PHE A 32 -5.807 -1.549 4.576 1.00 0.41 N ATOM 459 CA PHE A 32 -6.369 -2.024 3.341 1.00 0.46 C ATOM 460 C PHE A 32 -7.594 -2.859 3.551 1.00 0.55 C ATOM 461 O PHE A 32 -8.558 -2.735 2.814 1.00 1.03 O ATOM 462 CB PHE A 32 -5.337 -2.761 2.519 1.00 0.51 C ATOM 463 CG PHE A 32 -4.213 -1.886 2.049 1.00 0.50 C ATOM 464 CD1 PHE A 32 -3.106 -1.673 2.853 1.00 0.52 C ATOM 465 CD2 PHE A 32 -4.270 -1.262 0.816 1.00 0.55 C ATOM 466 CE1 PHE A 32 -2.080 -0.854 2.432 1.00 0.58 C ATOM 467 CE2 PHE A 32 -3.247 -0.447 0.392 1.00 0.59 C ATOM 468 CZ PHE A 32 -2.124 -0.298 1.163 1.00 0.60 C ATOM 0 H PHE A 32 -5.099 -2.151 4.997 1.00 0.41 H new ATOM 0 HA PHE A 32 -6.684 -1.144 2.780 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -4.927 -3.579 3.112 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -5.825 -3.209 1.653 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -3.046 -2.153 3.819 1.00 0.52 H new ATOM 0 HD2 PHE A 32 -5.128 -1.417 0.179 1.00 0.55 H new ATOM 0 HE1 PHE A 32 -1.247 -0.647 3.087 1.00 0.58 H new ATOM 0 HE2 PHE A 32 -3.329 0.076 -0.549 1.00 0.59 H new ATOM 0 HZ PHE A 32 -1.275 0.251 0.783 1.00 0.60 H new ATOM 478 N THR A 33 -7.595 -3.666 4.554 1.00 0.47 N ATOM 479 CA THR A 33 -8.733 -4.508 4.752 1.00 0.50 C ATOM 480 C THR A 33 -9.506 -4.155 6.009 1.00 0.60 C ATOM 481 O THR A 33 -10.628 -4.623 6.232 1.00 1.13 O ATOM 482 CB THR A 33 -8.361 -6.017 4.683 1.00 0.65 C ATOM 483 OG1 THR A 33 -9.481 -6.861 4.967 1.00 1.37 O ATOM 484 CG2 THR A 33 -7.220 -6.360 5.627 1.00 1.21 C ATOM 0 H THR A 33 -6.844 -3.764 5.237 1.00 0.47 H new ATOM 0 HA THR A 33 -9.411 -4.317 3.920 1.00 0.50 H new ATOM 0 HB THR A 33 -8.039 -6.200 3.658 1.00 0.65 H new ATOM 0 HG1 THR A 33 -9.830 -7.233 4.131 1.00 1.37 H new ATOM 0 HG21 THR A 33 -6.990 -7.423 5.549 1.00 1.21 H new ATOM 0 HG22 THR A 33 -6.338 -5.778 5.359 1.00 1.21 H new ATOM 0 HG23 THR A 33 -7.512 -6.126 6.651 1.00 1.21 H new ATOM 492 N ASP A 34 -8.970 -3.280 6.790 1.00 0.55 N ATOM 493 CA ASP A 34 -9.640 -2.914 8.008 1.00 0.60 C ATOM 494 C ASP A 34 -10.441 -1.668 7.771 1.00 0.58 C ATOM 495 O ASP A 34 -11.659 -1.646 7.964 1.00 0.75 O ATOM 496 CB ASP A 34 -8.647 -2.716 9.156 1.00 0.72 C ATOM 497 CG ASP A 34 -7.774 -3.921 9.392 1.00 1.46 C ATOM 498 OD1 ASP A 34 -6.696 -4.021 8.793 1.00 2.31 O ATOM 499 OD2 ASP A 34 -8.156 -4.799 10.202 1.00 1.58 O ATOM 0 H ASP A 34 -8.083 -2.806 6.618 1.00 0.55 H new ATOM 0 HA ASP A 34 -10.307 -3.724 8.301 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -8.016 -1.854 8.939 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -9.196 -2.487 10.069 1.00 0.72 H new ATOM 504 N ASP A 35 -9.777 -0.639 7.313 1.00 0.48 N ATOM 505 CA ASP A 35 -10.444 0.617 7.056 1.00 0.50 C ATOM 506 C ASP A 35 -10.997 0.646 5.633 1.00 0.56 C ATOM 507 O ASP A 35 -12.089 1.143 5.398 1.00 0.86 O ATOM 508 CB ASP A 35 -9.492 1.793 7.252 1.00 0.47 C ATOM 509 CG ASP A 35 -10.222 3.078 7.612 1.00 0.99 C ATOM 510 OD1 ASP A 35 -11.095 3.500 6.835 1.00 1.67 O ATOM 511 OD2 ASP A 35 -9.962 3.663 8.690 1.00 1.47 O ATOM 0 H ASP A 35 -8.777 -0.642 7.110 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.266 0.707 7.767 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -8.778 1.551 8.039 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -8.918 1.948 6.338 1.00 0.47 H new ATOM 516 N LEU A 36 -10.261 0.077 4.684 1.00 0.44 N ATOM 517 CA LEU A 36 -10.692 0.116 3.293 1.00 0.49 C ATOM 518 C LEU A 36 -11.651 -0.998 2.965 1.00 0.53 C ATOM 519 O LEU A 36 -11.819 -1.940 3.739 1.00 0.64 O ATOM 520 CB LEU A 36 -9.510 0.108 2.317 1.00 0.51 C ATOM 521 CG LEU A 36 -8.673 1.372 2.277 1.00 0.59 C ATOM 522 CD1 LEU A 36 -7.499 1.212 1.326 1.00 0.65 C ATOM 523 CD2 LEU A 36 -9.544 2.516 1.856 1.00 0.69 C ATOM 0 H LEU A 36 -9.379 -0.408 4.848 1.00 0.44 H new ATOM 0 HA LEU A 36 -11.219 1.062 3.170 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -8.859 -0.728 2.573 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -9.893 -0.082 1.315 1.00 0.51 H new ATOM 0 HG LEU A 36 -8.267 1.569 3.269 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -6.913 2.131 1.314 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -6.871 0.386 1.659 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -7.870 1.005 0.322 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -8.952 3.431 1.824 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -9.956 2.315 0.867 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -10.358 2.635 2.571 1.00 0.69 H new ATOM 535 N ASP A 37 -12.254 -0.900 1.798 1.00 0.63 N ATOM 536 CA ASP A 37 -13.235 -1.883 1.335 1.00 0.76 C ATOM 537 C ASP A 37 -12.568 -2.954 0.513 1.00 0.78 C ATOM 538 O ASP A 37 -13.226 -3.705 -0.218 1.00 1.33 O ATOM 539 CB ASP A 37 -14.366 -1.226 0.525 1.00 1.14 C ATOM 540 CG ASP A 37 -15.282 -0.375 1.369 1.00 1.49 C ATOM 541 OD1 ASP A 37 -16.105 -0.930 2.121 1.00 1.96 O ATOM 542 OD2 ASP A 37 -15.209 0.864 1.293 1.00 2.15 O ATOM 0 H ASP A 37 -12.084 -0.141 1.138 1.00 0.63 H new ATOM 0 HA ASP A 37 -13.678 -2.337 2.221 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -13.931 -0.610 -0.262 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -14.952 -2.003 0.034 1.00 1.14 H new ATOM 547 N VAL A 38 -11.271 -3.034 0.648 1.00 0.65 N ATOM 548 CA VAL A 38 -10.488 -4.026 -0.022 1.00 0.96 C ATOM 549 C VAL A 38 -10.584 -5.287 0.799 1.00 0.89 C ATOM 550 O VAL A 38 -10.338 -5.256 2.012 1.00 1.43 O ATOM 551 CB VAL A 38 -9.002 -3.594 -0.126 1.00 1.60 C ATOM 552 CG1 VAL A 38 -8.180 -4.634 -0.877 1.00 2.23 C ATOM 553 CG2 VAL A 38 -8.882 -2.240 -0.800 1.00 2.14 C ATOM 0 H VAL A 38 -10.726 -2.402 1.235 1.00 0.65 H new ATOM 0 HA VAL A 38 -10.860 -4.172 -1.036 1.00 0.96 H new ATOM 0 HB VAL A 38 -8.607 -3.514 0.887 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -7.142 -4.305 -0.935 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -8.230 -5.587 -0.350 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -8.579 -4.755 -1.884 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -7.831 -1.956 -0.862 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -9.303 -2.295 -1.804 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -9.425 -1.495 -0.219 1.00 2.14 H new ATOM 563 N ASP A 39 -11.035 -6.349 0.162 1.00 0.82 N ATOM 564 CA ASP A 39 -11.191 -7.666 0.786 1.00 1.15 C ATOM 565 C ASP A 39 -9.951 -8.048 1.525 1.00 1.18 C ATOM 566 O ASP A 39 -9.975 -8.128 2.743 1.00 2.04 O ATOM 567 CB ASP A 39 -11.499 -8.729 -0.256 1.00 1.60 C ATOM 568 CG ASP A 39 -12.845 -8.584 -0.898 1.00 2.37 C ATOM 569 OD1 ASP A 39 -12.975 -7.749 -1.806 1.00 2.96 O ATOM 570 OD2 ASP A 39 -13.799 -9.287 -0.503 1.00 2.78 O ATOM 0 H ASP A 39 -11.310 -6.330 -0.820 1.00 0.82 H new ATOM 0 HA ASP A 39 -12.024 -7.602 1.486 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -10.733 -8.696 -1.031 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -11.436 -9.711 0.213 1.00 1.60 H new ATOM 575 N SER A 40 -8.903 -8.312 0.752 1.00 0.85 N ATOM 576 CA SER A 40 -7.525 -8.584 1.187 1.00 0.86 C ATOM 577 C SER A 40 -6.812 -9.346 0.091 1.00 0.74 C ATOM 578 O SER A 40 -5.766 -8.941 -0.380 1.00 0.81 O ATOM 579 CB SER A 40 -7.433 -9.346 2.503 1.00 1.19 C ATOM 580 OG SER A 40 -8.211 -10.570 2.449 1.00 1.18 O ATOM 0 H SER A 40 -8.993 -8.345 -0.264 1.00 0.85 H new ATOM 0 HA SER A 40 -7.048 -7.621 1.371 1.00 0.86 H new ATOM 0 HB2 SER A 40 -6.391 -9.582 2.719 1.00 1.19 H new ATOM 0 HB3 SER A 40 -7.793 -8.717 3.318 1.00 1.19 H new ATOM 0 HG SER A 40 -8.136 -11.043 3.304 1.00 1.18 H new ATOM 585 N LEU A 41 -7.432 -10.419 -0.373 1.00 0.71 N ATOM 586 CA LEU A 41 -6.874 -11.233 -1.470 1.00 0.70 C ATOM 587 C LEU A 41 -6.713 -10.338 -2.715 1.00 0.65 C ATOM 588 O LEU A 41 -5.812 -10.502 -3.531 1.00 0.71 O ATOM 589 CB LEU A 41 -7.789 -12.443 -1.822 1.00 0.83 C ATOM 590 CG LEU A 41 -7.939 -13.609 -0.805 1.00 1.01 C ATOM 591 CD1 LEU A 41 -8.566 -13.173 0.508 1.00 1.29 C ATOM 592 CD2 LEU A 41 -8.766 -14.722 -1.418 1.00 1.34 C ATOM 0 H LEU A 41 -8.325 -10.757 -0.014 1.00 0.71 H new ATOM 0 HA LEU A 41 -5.912 -11.630 -1.146 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -8.787 -12.052 -2.020 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -7.423 -12.869 -2.756 1.00 0.83 H new ATOM 0 HG LEU A 41 -6.933 -13.963 -0.578 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -8.644 -14.031 1.176 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -7.944 -12.407 0.972 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -9.560 -12.768 0.320 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -8.868 -15.537 -0.701 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -9.754 -14.341 -1.677 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -8.272 -15.090 -2.317 1.00 1.34 H new ATOM 604 N SER A 42 -7.610 -9.390 -2.808 1.00 0.65 N ATOM 605 CA SER A 42 -7.648 -8.382 -3.836 1.00 0.66 C ATOM 606 C SER A 42 -6.453 -7.382 -3.727 1.00 0.50 C ATOM 607 O SER A 42 -5.949 -6.893 -4.742 1.00 0.47 O ATOM 608 CB SER A 42 -9.000 -7.662 -3.710 1.00 0.84 C ATOM 609 OG SER A 42 -9.204 -6.675 -4.688 1.00 1.26 O ATOM 0 H SER A 42 -8.371 -9.296 -2.136 1.00 0.65 H new ATOM 0 HA SER A 42 -7.548 -8.846 -4.817 1.00 0.66 H new ATOM 0 HB2 SER A 42 -9.802 -8.398 -3.775 1.00 0.84 H new ATOM 0 HB3 SER A 42 -9.068 -7.204 -2.723 1.00 0.84 H new ATOM 0 HG SER A 42 -10.080 -6.257 -4.553 1.00 1.26 H new ATOM 615 N MET A 43 -5.946 -7.145 -2.511 1.00 0.45 N ATOM 616 CA MET A 43 -4.861 -6.156 -2.298 1.00 0.35 C ATOM 617 C MET A 43 -3.565 -6.639 -2.922 1.00 0.30 C ATOM 618 O MET A 43 -2.652 -5.861 -3.176 1.00 0.27 O ATOM 619 CB MET A 43 -4.605 -5.856 -0.829 1.00 0.39 C ATOM 620 CG MET A 43 -3.660 -4.672 -0.630 1.00 0.47 C ATOM 621 SD MET A 43 -2.820 -4.673 0.949 1.00 0.97 S ATOM 622 CE MET A 43 -1.748 -6.086 0.757 1.00 0.54 C ATOM 0 H MET A 43 -6.260 -7.615 -1.662 1.00 0.45 H new ATOM 0 HA MET A 43 -5.200 -5.238 -2.777 1.00 0.35 H new ATOM 0 HB2 MET A 43 -5.553 -5.647 -0.333 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.182 -6.739 -0.349 1.00 0.39 H new ATOM 0 HG2 MET A 43 -2.916 -4.676 -1.426 1.00 0.47 H new ATOM 0 HG3 MET A 43 -4.227 -3.746 -0.728 1.00 0.47 H new ATOM 0 HE1 MET A 43 -1.988 -6.831 1.516 1.00 0.54 H new ATOM 0 HE2 MET A 43 -1.890 -6.518 -0.233 1.00 0.54 H new ATOM 0 HE3 MET A 43 -0.710 -5.773 0.871 1.00 0.54 H new ATOM 632 N VAL A 44 -3.477 -7.921 -3.133 1.00 0.36 N ATOM 633 CA VAL A 44 -2.293 -8.534 -3.706 1.00 0.39 C ATOM 634 C VAL A 44 -1.967 -7.939 -5.111 1.00 0.37 C ATOM 635 O VAL A 44 -0.811 -7.881 -5.522 1.00 0.42 O ATOM 636 CB VAL A 44 -2.429 -10.082 -3.744 1.00 0.54 C ATOM 637 CG1 VAL A 44 -1.146 -10.756 -4.213 1.00 0.65 C ATOM 638 CG2 VAL A 44 -2.839 -10.599 -2.365 1.00 0.57 C ATOM 0 H VAL A 44 -4.223 -8.581 -2.914 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.447 -8.300 -3.060 1.00 0.39 H new ATOM 0 HB VAL A 44 -3.204 -10.334 -4.468 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -1.286 -11.837 -4.224 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -0.900 -10.411 -5.217 1.00 0.65 H new ATOM 0 HG13 VAL A 44 -0.332 -10.503 -3.533 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -2.933 -11.684 -2.397 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -2.081 -10.322 -1.632 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -3.796 -10.160 -2.081 1.00 0.57 H new ATOM 648 N GLU A 45 -2.987 -7.427 -5.806 1.00 0.37 N ATOM 649 CA GLU A 45 -2.768 -6.749 -7.085 1.00 0.38 C ATOM 650 C GLU A 45 -2.224 -5.337 -6.850 1.00 0.31 C ATOM 651 O GLU A 45 -1.473 -4.801 -7.652 1.00 0.37 O ATOM 652 CB GLU A 45 -4.050 -6.685 -7.905 1.00 0.46 C ATOM 653 CG GLU A 45 -4.594 -8.038 -8.310 1.00 0.64 C ATOM 654 CD GLU A 45 -5.797 -7.915 -9.203 1.00 1.21 C ATOM 655 OE1 GLU A 45 -5.647 -7.554 -10.379 1.00 1.31 O ATOM 656 OE2 GLU A 45 -6.923 -8.165 -8.735 1.00 2.06 O ATOM 0 H GLU A 45 -3.962 -7.468 -5.508 1.00 0.37 H new ATOM 0 HA GLU A 45 -2.035 -7.326 -7.648 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -4.811 -6.157 -7.329 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -3.865 -6.096 -8.803 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -3.816 -8.603 -8.824 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -4.861 -8.604 -7.417 1.00 0.64 H new ATOM 663 N VAL A 46 -2.574 -4.781 -5.715 1.00 0.30 N ATOM 664 CA VAL A 46 -2.149 -3.449 -5.323 1.00 0.30 C ATOM 665 C VAL A 46 -0.686 -3.482 -4.928 1.00 0.29 C ATOM 666 O VAL A 46 0.122 -2.763 -5.483 1.00 0.39 O ATOM 667 CB VAL A 46 -2.980 -2.927 -4.115 1.00 0.51 C ATOM 668 CG1 VAL A 46 -2.542 -1.523 -3.709 1.00 0.91 C ATOM 669 CG2 VAL A 46 -4.462 -2.948 -4.430 1.00 1.43 C ATOM 0 H VAL A 46 -3.169 -5.242 -5.026 1.00 0.30 H new ATOM 0 HA VAL A 46 -2.302 -2.781 -6.171 1.00 0.30 H new ATOM 0 HB VAL A 46 -2.796 -3.596 -3.274 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -3.141 -1.186 -2.863 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -1.489 -1.538 -3.426 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -2.683 -0.841 -4.548 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -5.022 -2.579 -3.571 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -4.660 -2.312 -5.293 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -4.772 -3.969 -4.654 1.00 1.43 H new ATOM 679 N VAL A 47 -0.364 -4.331 -3.962 1.00 0.28 N ATOM 680 CA VAL A 47 0.996 -4.423 -3.430 1.00 0.33 C ATOM 681 C VAL A 47 2.048 -4.733 -4.525 1.00 0.31 C ATOM 682 O VAL A 47 3.138 -4.152 -4.520 1.00 0.35 O ATOM 683 CB VAL A 47 1.098 -5.426 -2.229 1.00 0.41 C ATOM 684 CG1 VAL A 47 0.744 -6.852 -2.628 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.471 -5.369 -1.577 1.00 0.53 C ATOM 0 H VAL A 47 -1.028 -4.971 -3.526 1.00 0.28 H new ATOM 0 HA VAL A 47 1.233 -3.432 -3.042 1.00 0.33 H new ATOM 0 HB VAL A 47 0.357 -5.108 -1.495 1.00 0.41 H new ATOM 0 HG11 VAL A 47 0.831 -7.505 -1.760 1.00 0.39 H new ATOM 0 HG12 VAL A 47 -0.279 -6.882 -3.003 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.426 -7.192 -3.407 1.00 0.39 H new ATOM 0 HG21 VAL A 47 2.510 -6.076 -0.748 1.00 0.53 H new ATOM 0 HG22 VAL A 47 3.234 -5.629 -2.311 1.00 0.53 H new ATOM 0 HG23 VAL A 47 2.655 -4.362 -1.204 1.00 0.53 H new ATOM 695 N VAL A 48 1.696 -5.585 -5.489 1.00 0.29 N ATOM 696 CA VAL A 48 2.628 -5.927 -6.556 1.00 0.31 C ATOM 697 C VAL A 48 2.846 -4.722 -7.495 1.00 0.29 C ATOM 698 O VAL A 48 3.945 -4.513 -8.023 1.00 0.35 O ATOM 699 CB VAL A 48 2.192 -7.208 -7.352 1.00 0.37 C ATOM 700 CG1 VAL A 48 0.929 -6.992 -8.174 1.00 0.61 C ATOM 701 CG2 VAL A 48 3.323 -7.738 -8.213 1.00 0.65 C ATOM 0 H VAL A 48 0.787 -6.043 -5.551 1.00 0.29 H new ATOM 0 HA VAL A 48 3.580 -6.172 -6.085 1.00 0.31 H new ATOM 0 HB VAL A 48 1.951 -7.965 -6.605 1.00 0.37 H new ATOM 0 HG11 VAL A 48 0.677 -7.912 -8.702 1.00 0.61 H new ATOM 0 HG12 VAL A 48 0.107 -6.716 -7.513 1.00 0.61 H new ATOM 0 HG13 VAL A 48 1.097 -6.193 -8.896 1.00 0.61 H new ATOM 0 HG21 VAL A 48 2.987 -8.625 -8.750 1.00 0.65 H new ATOM 0 HG22 VAL A 48 3.625 -6.973 -8.929 1.00 0.65 H new ATOM 0 HG23 VAL A 48 4.171 -7.997 -7.580 1.00 0.65 H new ATOM 711 N ALA A 49 1.819 -3.901 -7.631 1.00 0.28 N ATOM 712 CA ALA A 49 1.902 -2.709 -8.441 1.00 0.28 C ATOM 713 C ALA A 49 2.615 -1.610 -7.665 1.00 0.27 C ATOM 714 O ALA A 49 3.296 -0.780 -8.227 1.00 0.32 O ATOM 715 CB ALA A 49 0.512 -2.256 -8.866 1.00 0.32 C ATOM 0 H ALA A 49 0.913 -4.044 -7.185 1.00 0.28 H new ATOM 0 HA ALA A 49 2.474 -2.929 -9.342 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.593 -1.356 -9.476 1.00 0.32 H new ATOM 0 HB2 ALA A 49 0.033 -3.045 -9.446 1.00 0.32 H new ATOM 0 HB3 ALA A 49 -0.087 -2.042 -7.981 1.00 0.32 H new ATOM 721 N ALA A 50 2.483 -1.636 -6.363 1.00 0.27 N ATOM 722 CA ALA A 50 3.117 -0.650 -5.508 1.00 0.30 C ATOM 723 C ALA A 50 4.643 -0.733 -5.595 1.00 0.29 C ATOM 724 O ALA A 50 5.330 0.296 -5.557 1.00 0.32 O ATOM 725 CB ALA A 50 2.643 -0.798 -4.070 1.00 0.36 C ATOM 0 H ALA A 50 1.936 -2.336 -5.862 1.00 0.27 H new ATOM 0 HA ALA A 50 2.822 0.337 -5.863 1.00 0.30 H new ATOM 0 HB1 ALA A 50 3.131 -0.049 -3.447 1.00 0.36 H new ATOM 0 HB2 ALA A 50 1.563 -0.658 -4.027 1.00 0.36 H new ATOM 0 HB3 ALA A 50 2.895 -1.794 -3.705 1.00 0.36 H new ATOM 731 N GLU A 51 5.163 -1.955 -5.752 1.00 0.32 N ATOM 732 CA GLU A 51 6.605 -2.177 -5.872 1.00 0.39 C ATOM 733 C GLU A 51 7.197 -1.350 -7.020 1.00 0.39 C ATOM 734 O GLU A 51 8.193 -0.654 -6.848 1.00 0.47 O ATOM 735 CB GLU A 51 6.931 -3.660 -6.086 1.00 0.49 C ATOM 736 CG GLU A 51 6.470 -4.589 -4.976 1.00 0.36 C ATOM 737 CD GLU A 51 6.962 -6.006 -5.183 1.00 0.44 C ATOM 738 OE1 GLU A 51 8.080 -6.325 -4.737 1.00 0.78 O ATOM 739 OE2 GLU A 51 6.256 -6.829 -5.817 1.00 0.70 O ATOM 0 H GLU A 51 4.604 -2.807 -5.799 1.00 0.32 H new ATOM 0 HA GLU A 51 7.055 -1.855 -4.933 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.476 -3.984 -7.022 1.00 0.49 H new ATOM 0 HB3 GLU A 51 8.010 -3.766 -6.202 1.00 0.49 H new ATOM 0 HG2 GLU A 51 6.831 -4.216 -4.017 1.00 0.36 H new ATOM 0 HG3 GLU A 51 5.381 -4.586 -4.929 1.00 0.36 H new ATOM 746 N GLU A 52 6.550 -1.395 -8.165 1.00 0.36 N ATOM 747 CA GLU A 52 7.010 -0.652 -9.330 1.00 0.41 C ATOM 748 C GLU A 52 6.703 0.852 -9.214 1.00 0.38 C ATOM 749 O GLU A 52 7.519 1.685 -9.587 1.00 0.47 O ATOM 750 CB GLU A 52 6.425 -1.237 -10.624 1.00 0.49 C ATOM 751 CG GLU A 52 4.931 -1.494 -10.555 1.00 0.53 C ATOM 752 CD GLU A 52 4.314 -1.832 -11.874 1.00 0.73 C ATOM 753 OE1 GLU A 52 4.502 -2.970 -12.361 1.00 0.96 O ATOM 754 OE2 GLU A 52 3.620 -0.981 -12.450 1.00 0.94 O ATOM 0 H GLU A 52 5.701 -1.939 -8.319 1.00 0.36 H new ATOM 0 HA GLU A 52 8.094 -0.756 -9.370 1.00 0.41 H new ATOM 0 HB2 GLU A 52 6.630 -0.552 -11.447 1.00 0.49 H new ATOM 0 HB3 GLU A 52 6.936 -2.172 -10.853 1.00 0.49 H new ATOM 0 HG2 GLU A 52 4.744 -2.311 -9.858 1.00 0.53 H new ATOM 0 HG3 GLU A 52 4.438 -0.610 -10.150 1.00 0.53 H new ATOM 761 N ARG A 53 5.554 1.188 -8.646 1.00 0.32 N ATOM 762 CA ARG A 53 5.115 2.589 -8.541 1.00 0.36 C ATOM 763 C ARG A 53 6.031 3.428 -7.666 1.00 0.35 C ATOM 764 O ARG A 53 6.414 4.539 -8.038 1.00 0.48 O ATOM 765 CB ARG A 53 3.678 2.682 -8.015 1.00 0.46 C ATOM 766 CG ARG A 53 2.647 2.060 -8.929 1.00 1.11 C ATOM 767 CD ARG A 53 2.484 2.822 -10.226 1.00 1.21 C ATOM 768 NE ARG A 53 1.775 4.095 -10.043 1.00 2.17 N ATOM 769 CZ ARG A 53 0.722 4.478 -10.780 1.00 2.78 C ATOM 770 NH1 ARG A 53 0.295 3.705 -11.782 1.00 2.79 N ATOM 771 NH2 ARG A 53 0.122 5.643 -10.530 1.00 3.85 N ATOM 0 H ARG A 53 4.901 0.514 -8.247 1.00 0.32 H new ATOM 0 HA ARG A 53 5.158 2.993 -9.552 1.00 0.36 H new ATOM 0 HB2 ARG A 53 3.626 2.195 -7.041 1.00 0.46 H new ATOM 0 HB3 ARG A 53 3.426 3.731 -7.860 1.00 0.46 H new ATOM 0 HG2 ARG A 53 2.935 1.032 -9.150 1.00 1.11 H new ATOM 0 HG3 ARG A 53 1.688 2.018 -8.413 1.00 1.11 H new ATOM 0 HD2 ARG A 53 3.467 3.015 -10.656 1.00 1.21 H new ATOM 0 HD3 ARG A 53 1.939 2.205 -10.940 1.00 1.21 H new ATOM 0 HE ARG A 53 2.103 4.726 -9.312 1.00 2.17 H new ATOM 0 HH11 ARG A 53 0.770 2.825 -11.985 1.00 2.79 H new ATOM 0 HH12 ARG A 53 -0.506 3.994 -12.344 1.00 2.79 H new ATOM 0 HH21 ARG A 53 0.464 6.242 -9.779 1.00 3.85 H new ATOM 0 HH22 ARG A 53 -0.679 5.935 -11.090 1.00 3.85 H new ATOM 785 N PHE A 54 6.411 2.890 -6.534 1.00 0.29 N ATOM 786 CA PHE A 54 7.184 3.655 -5.570 1.00 0.30 C ATOM 787 C PHE A 54 8.653 3.343 -5.639 1.00 0.33 C ATOM 788 O PHE A 54 9.419 3.829 -4.808 1.00 0.40 O ATOM 789 CB PHE A 54 6.674 3.396 -4.162 1.00 0.31 C ATOM 790 CG PHE A 54 5.227 3.673 -4.033 1.00 0.30 C ATOM 791 CD1 PHE A 54 4.751 4.960 -4.146 1.00 0.35 C ATOM 792 CD2 PHE A 54 4.334 2.645 -3.843 1.00 0.35 C ATOM 793 CE1 PHE A 54 3.417 5.214 -4.061 1.00 0.39 C ATOM 794 CE2 PHE A 54 2.996 2.892 -3.764 1.00 0.38 C ATOM 795 CZ PHE A 54 2.539 4.174 -3.873 1.00 0.37 C ATOM 0 H PHE A 54 6.203 1.932 -6.253 1.00 0.29 H new ATOM 0 HA PHE A 54 7.056 4.708 -5.823 1.00 0.30 H new ATOM 0 HB2 PHE A 54 6.869 2.358 -3.892 1.00 0.31 H new ATOM 0 HB3 PHE A 54 7.226 4.018 -3.457 1.00 0.31 H new ATOM 0 HD1 PHE A 54 5.442 5.775 -4.303 1.00 0.35 H new ATOM 0 HD2 PHE A 54 4.697 1.631 -3.755 1.00 0.35 H new ATOM 0 HE1 PHE A 54 3.051 6.227 -4.141 1.00 0.39 H new ATOM 0 HE2 PHE A 54 2.301 2.078 -3.616 1.00 0.38 H new ATOM 0 HZ PHE A 54 1.479 4.372 -3.811 1.00 0.37 H new ATOM 805 N ASP A 55 9.040 2.545 -6.636 1.00 0.36 N ATOM 806 CA ASP A 55 10.434 2.113 -6.816 1.00 0.44 C ATOM 807 C ASP A 55 10.920 1.399 -5.557 1.00 0.46 C ATOM 808 O ASP A 55 11.799 1.870 -4.824 1.00 0.77 O ATOM 809 CB ASP A 55 11.356 3.302 -7.203 1.00 0.53 C ATOM 810 CG ASP A 55 12.814 2.909 -7.405 1.00 1.14 C ATOM 811 OD1 ASP A 55 13.141 2.275 -8.434 1.00 1.23 O ATOM 812 OD2 ASP A 55 13.666 3.263 -6.564 1.00 1.95 O ATOM 0 H ASP A 55 8.401 2.179 -7.341 1.00 0.36 H new ATOM 0 HA ASP A 55 10.477 1.409 -7.647 1.00 0.44 H new ATOM 0 HB2 ASP A 55 10.981 3.756 -8.120 1.00 0.53 H new ATOM 0 HB3 ASP A 55 11.299 4.062 -6.424 1.00 0.53 H new ATOM 817 N VAL A 56 10.296 0.294 -5.272 1.00 0.35 N ATOM 818 CA VAL A 56 10.575 -0.438 -4.080 1.00 0.40 C ATOM 819 C VAL A 56 10.426 -1.942 -4.375 1.00 0.52 C ATOM 820 O VAL A 56 10.281 -2.330 -5.529 1.00 1.14 O ATOM 821 CB VAL A 56 9.628 0.052 -2.904 1.00 0.55 C ATOM 822 CG1 VAL A 56 8.166 -0.315 -3.133 1.00 1.00 C ATOM 823 CG2 VAL A 56 10.111 -0.374 -1.517 1.00 1.37 C ATOM 0 H VAL A 56 9.578 -0.123 -5.864 1.00 0.35 H new ATOM 0 HA VAL A 56 11.599 -0.260 -3.750 1.00 0.40 H new ATOM 0 HB VAL A 56 9.689 1.140 -2.925 1.00 0.55 H new ATOM 0 HG11 VAL A 56 7.565 0.045 -2.298 1.00 1.00 H new ATOM 0 HG12 VAL A 56 7.816 0.145 -4.057 1.00 1.00 H new ATOM 0 HG13 VAL A 56 8.070 -1.398 -3.209 1.00 1.00 H new ATOM 0 HG21 VAL A 56 9.417 -0.006 -0.761 1.00 1.37 H new ATOM 0 HG22 VAL A 56 10.159 -1.462 -1.467 1.00 1.37 H new ATOM 0 HG23 VAL A 56 11.102 0.041 -1.333 1.00 1.37 H new ATOM 833 N LYS A 57 10.456 -2.750 -3.361 1.00 0.41 N ATOM 834 CA LYS A 57 10.312 -4.169 -3.463 1.00 0.40 C ATOM 835 C LYS A 57 9.718 -4.615 -2.156 1.00 0.45 C ATOM 836 O LYS A 57 10.189 -4.198 -1.083 1.00 0.67 O ATOM 837 CB LYS A 57 11.681 -4.817 -3.708 1.00 0.57 C ATOM 838 CG LYS A 57 11.671 -6.329 -3.845 1.00 1.30 C ATOM 839 CD LYS A 57 13.069 -6.851 -4.140 1.00 1.77 C ATOM 840 CE LYS A 57 13.114 -8.368 -4.197 1.00 2.45 C ATOM 841 NZ LYS A 57 12.265 -8.931 -5.266 1.00 3.34 N ATOM 0 H LYS A 57 10.587 -2.426 -2.403 1.00 0.41 H new ATOM 0 HA LYS A 57 9.674 -4.461 -4.297 1.00 0.40 H new ATOM 0 HB2 LYS A 57 12.109 -4.390 -4.615 1.00 0.57 H new ATOM 0 HB3 LYS A 57 12.344 -4.548 -2.885 1.00 0.57 H new ATOM 0 HG2 LYS A 57 11.295 -6.780 -2.927 1.00 1.30 H new ATOM 0 HG3 LYS A 57 10.991 -6.622 -4.645 1.00 1.30 H new ATOM 0 HD2 LYS A 57 13.415 -6.443 -5.090 1.00 1.77 H new ATOM 0 HD3 LYS A 57 13.757 -6.497 -3.372 1.00 1.77 H new ATOM 0 HE2 LYS A 57 14.144 -8.690 -4.351 1.00 2.45 H new ATOM 0 HE3 LYS A 57 12.794 -8.772 -3.236 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 12.388 -9.963 -5.300 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 11.268 -8.708 -5.071 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 12.540 -8.519 -6.181 1.00 3.34 H new ATOM 855 N ILE A 58 8.669 -5.370 -2.224 1.00 0.36 N ATOM 856 CA ILE A 58 7.953 -5.791 -1.045 1.00 0.42 C ATOM 857 C ILE A 58 7.728 -7.291 -1.117 1.00 0.46 C ATOM 858 O ILE A 58 7.038 -7.769 -2.024 1.00 0.52 O ATOM 859 CB ILE A 58 6.565 -5.073 -0.928 1.00 0.47 C ATOM 860 CG1 ILE A 58 6.731 -3.539 -0.986 1.00 0.48 C ATOM 861 CG2 ILE A 58 5.866 -5.477 0.372 1.00 0.55 C ATOM 862 CD1 ILE A 58 5.427 -2.766 -0.980 1.00 0.57 C ATOM 0 H ILE A 58 8.277 -5.718 -3.099 1.00 0.36 H new ATOM 0 HA ILE A 58 8.548 -5.528 -0.170 1.00 0.42 H new ATOM 0 HB ILE A 58 5.950 -5.384 -1.773 1.00 0.47 H new ATOM 0 HG12 ILE A 58 7.333 -3.219 -0.135 1.00 0.48 H new ATOM 0 HG13 ILE A 58 7.288 -3.280 -1.886 1.00 0.48 H new ATOM 0 HG21 ILE A 58 4.903 -4.971 0.440 1.00 0.55 H new ATOM 0 HG22 ILE A 58 5.710 -6.556 0.381 1.00 0.55 H new ATOM 0 HG23 ILE A 58 6.486 -5.193 1.222 1.00 0.55 H new ATOM 0 HD11 ILE A 58 5.637 -1.697 -1.023 1.00 0.57 H new ATOM 0 HD12 ILE A 58 4.830 -3.053 -1.845 1.00 0.57 H new ATOM 0 HD13 ILE A 58 4.875 -2.991 -0.067 1.00 0.57 H new ATOM 874 N PRO A 59 8.322 -8.056 -0.202 1.00 0.47 N ATOM 875 CA PRO A 59 8.147 -9.490 -0.162 1.00 0.53 C ATOM 876 C PRO A 59 6.761 -9.841 0.341 1.00 0.53 C ATOM 877 O PRO A 59 6.283 -9.252 1.316 1.00 0.46 O ATOM 878 CB PRO A 59 9.204 -9.976 0.853 1.00 0.59 C ATOM 879 CG PRO A 59 10.050 -8.787 1.155 1.00 0.63 C ATOM 880 CD PRO A 59 9.200 -7.590 0.873 1.00 0.50 C ATOM 0 HA PRO A 59 8.258 -9.946 -1.146 1.00 0.53 H new ATOM 0 HB2 PRO A 59 8.731 -10.360 1.757 1.00 0.59 H new ATOM 0 HB3 PRO A 59 9.802 -10.787 0.437 1.00 0.59 H new ATOM 0 HG2 PRO A 59 10.378 -8.796 2.195 1.00 0.63 H new ATOM 0 HG3 PRO A 59 10.948 -8.781 0.538 1.00 0.63 H new ATOM 0 HD2 PRO A 59 8.634 -7.281 1.752 1.00 0.50 H new ATOM 0 HD3 PRO A 59 9.799 -6.734 0.563 1.00 0.50 H new ATOM 888 N ASP A 60 6.126 -10.804 -0.308 1.00 0.68 N ATOM 889 CA ASP A 60 4.776 -11.286 0.070 1.00 0.77 C ATOM 890 C ASP A 60 4.755 -11.752 1.530 1.00 0.70 C ATOM 891 O ASP A 60 3.730 -11.679 2.222 1.00 0.69 O ATOM 892 CB ASP A 60 4.327 -12.410 -0.870 1.00 1.08 C ATOM 893 CG ASP A 60 2.996 -13.019 -0.492 1.00 1.50 C ATOM 894 OD1 ASP A 60 1.943 -12.455 -0.849 1.00 1.84 O ATOM 895 OD2 ASP A 60 2.986 -14.100 0.143 1.00 2.30 O ATOM 0 H ASP A 60 6.520 -11.285 -1.116 1.00 0.68 H new ATOM 0 HA ASP A 60 4.074 -10.458 -0.028 1.00 0.77 H new ATOM 0 HB2 ASP A 60 4.263 -12.019 -1.886 1.00 1.08 H new ATOM 0 HB3 ASP A 60 5.086 -13.192 -0.877 1.00 1.08 H new ATOM 900 N ASP A 61 5.906 -12.211 1.992 1.00 0.75 N ATOM 901 CA ASP A 61 6.110 -12.588 3.391 1.00 0.85 C ATOM 902 C ASP A 61 5.853 -11.401 4.293 1.00 0.71 C ATOM 903 O ASP A 61 5.082 -11.477 5.245 1.00 0.79 O ATOM 904 CB ASP A 61 7.553 -13.064 3.639 1.00 1.13 C ATOM 905 CG ASP A 61 7.914 -14.330 2.920 1.00 1.80 C ATOM 906 OD1 ASP A 61 7.551 -15.416 3.399 1.00 2.31 O ATOM 907 OD2 ASP A 61 8.570 -14.262 1.854 1.00 2.38 O ATOM 0 H ASP A 61 6.733 -12.335 1.408 1.00 0.75 H new ATOM 0 HA ASP A 61 5.415 -13.399 3.611 1.00 0.85 H new ATOM 0 HB2 ASP A 61 8.241 -12.276 3.333 1.00 1.13 H new ATOM 0 HB3 ASP A 61 7.696 -13.214 4.709 1.00 1.13 H new ATOM 912 N ASP A 62 6.444 -10.277 3.930 1.00 0.60 N ATOM 913 CA ASP A 62 6.405 -9.085 4.757 1.00 0.62 C ATOM 914 C ASP A 62 5.088 -8.342 4.579 1.00 0.51 C ATOM 915 O ASP A 62 4.687 -7.571 5.428 1.00 0.61 O ATOM 916 CB ASP A 62 7.599 -8.179 4.462 1.00 0.74 C ATOM 917 CG ASP A 62 7.827 -7.153 5.548 1.00 0.82 C ATOM 918 OD1 ASP A 62 7.847 -7.509 6.737 1.00 1.17 O ATOM 919 OD2 ASP A 62 7.879 -5.929 5.224 1.00 1.52 O ATOM 0 H ASP A 62 6.962 -10.165 3.058 1.00 0.60 H new ATOM 0 HA ASP A 62 6.472 -9.393 5.800 1.00 0.62 H new ATOM 0 HB2 ASP A 62 8.495 -8.789 4.349 1.00 0.74 H new ATOM 0 HB3 ASP A 62 7.438 -7.669 3.512 1.00 0.74 H new ATOM 924 N VAL A 63 4.403 -8.613 3.470 1.00 0.43 N ATOM 925 CA VAL A 63 3.057 -8.072 3.218 1.00 0.46 C ATOM 926 C VAL A 63 2.129 -8.478 4.366 1.00 0.46 C ATOM 927 O VAL A 63 1.382 -7.669 4.895 1.00 0.55 O ATOM 928 CB VAL A 63 2.479 -8.609 1.872 1.00 0.53 C ATOM 929 CG1 VAL A 63 1.043 -8.157 1.664 1.00 0.79 C ATOM 930 CG2 VAL A 63 3.328 -8.147 0.707 1.00 0.73 C ATOM 0 H VAL A 63 4.757 -9.209 2.722 1.00 0.43 H new ATOM 0 HA VAL A 63 3.126 -6.986 3.153 1.00 0.46 H new ATOM 0 HB VAL A 63 2.495 -9.698 1.922 1.00 0.53 H new ATOM 0 HG11 VAL A 63 0.672 -8.549 0.717 1.00 0.79 H new ATOM 0 HG12 VAL A 63 0.423 -8.530 2.479 1.00 0.79 H new ATOM 0 HG13 VAL A 63 1.003 -7.068 1.646 1.00 0.79 H new ATOM 0 HG21 VAL A 63 2.909 -8.531 -0.223 1.00 0.73 H new ATOM 0 HG22 VAL A 63 3.341 -7.058 0.676 1.00 0.73 H new ATOM 0 HG23 VAL A 63 4.345 -8.519 0.828 1.00 0.73 H new ATOM 940 N LYS A 64 2.237 -9.728 4.778 1.00 0.46 N ATOM 941 CA LYS A 64 1.422 -10.249 5.869 1.00 0.55 C ATOM 942 C LYS A 64 1.909 -9.751 7.241 1.00 0.54 C ATOM 943 O LYS A 64 1.231 -9.924 8.255 1.00 0.63 O ATOM 944 CB LYS A 64 1.362 -11.778 5.816 1.00 0.68 C ATOM 945 CG LYS A 64 0.586 -12.315 4.613 1.00 0.77 C ATOM 946 CD LYS A 64 0.557 -13.838 4.575 1.00 0.99 C ATOM 947 CE LYS A 64 1.929 -14.440 4.278 1.00 1.17 C ATOM 948 NZ LYS A 64 2.404 -14.123 2.904 1.00 1.24 N ATOM 0 H LYS A 64 2.883 -10.406 4.374 1.00 0.46 H new ATOM 0 HA LYS A 64 0.410 -9.865 5.737 1.00 0.55 H new ATOM 0 HB2 LYS A 64 2.378 -12.173 5.789 1.00 0.68 H new ATOM 0 HB3 LYS A 64 0.900 -12.148 6.731 1.00 0.68 H new ATOM 0 HG2 LYS A 64 -0.435 -11.935 4.644 1.00 0.77 H new ATOM 0 HG3 LYS A 64 1.038 -11.940 3.695 1.00 0.77 H new ATOM 0 HD2 LYS A 64 0.197 -14.216 5.532 1.00 0.99 H new ATOM 0 HD3 LYS A 64 -0.153 -14.166 3.816 1.00 0.99 H new ATOM 0 HE2 LYS A 64 2.651 -14.066 5.004 1.00 1.17 H new ATOM 0 HE3 LYS A 64 1.882 -15.522 4.402 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 3.079 -14.850 2.594 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 1.594 -14.103 2.253 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 2.872 -13.194 2.904 1.00 1.24 H new ATOM 962 N ASN A 65 3.057 -9.110 7.253 1.00 0.50 N ATOM 963 CA ASN A 65 3.642 -8.554 8.473 1.00 0.56 C ATOM 964 C ASN A 65 3.188 -7.102 8.641 1.00 0.52 C ATOM 965 O ASN A 65 3.040 -6.601 9.764 1.00 0.65 O ATOM 966 CB ASN A 65 5.180 -8.621 8.393 1.00 0.64 C ATOM 967 CG ASN A 65 5.908 -8.029 9.601 1.00 1.32 C ATOM 968 OD1 ASN A 65 5.429 -8.079 10.742 1.00 1.95 O ATOM 969 ND2 ASN A 65 7.071 -7.487 9.357 1.00 2.07 N ATOM 0 H ASN A 65 3.621 -8.954 6.417 1.00 0.50 H new ATOM 0 HA ASN A 65 3.308 -9.135 9.332 1.00 0.56 H new ATOM 0 HB2 ASN A 65 5.480 -9.663 8.280 1.00 0.64 H new ATOM 0 HB3 ASN A 65 5.507 -8.096 7.495 1.00 0.64 H new ATOM 0 HD21 ASN A 65 7.617 -7.086 10.120 1.00 2.07 H new ATOM 0 HD22 ASN A 65 7.433 -7.464 8.404 1.00 2.07 H new ATOM 976 N LEU A 66 2.927 -6.439 7.526 1.00 0.43 N ATOM 977 CA LEU A 66 2.494 -5.052 7.535 1.00 0.43 C ATOM 978 C LEU A 66 1.023 -4.965 7.910 1.00 0.43 C ATOM 979 O LEU A 66 0.342 -5.996 8.020 1.00 0.47 O ATOM 980 CB LEU A 66 2.779 -4.396 6.174 1.00 0.44 C ATOM 981 CG LEU A 66 4.265 -4.345 5.761 1.00 0.50 C ATOM 982 CD1 LEU A 66 4.426 -3.702 4.403 1.00 0.57 C ATOM 983 CD2 LEU A 66 5.096 -3.602 6.794 1.00 0.60 C ATOM 0 H LEU A 66 3.009 -6.845 6.594 1.00 0.43 H new ATOM 0 HA LEU A 66 3.059 -4.502 8.288 1.00 0.43 H new ATOM 0 HB2 LEU A 66 2.225 -4.936 5.406 1.00 0.44 H new ATOM 0 HB3 LEU A 66 2.389 -3.378 6.192 1.00 0.44 H new ATOM 0 HG LEU A 66 4.626 -5.372 5.704 1.00 0.50 H new ATOM 0 HD11 LEU A 66 5.482 -3.678 4.135 1.00 0.57 H new ATOM 0 HD12 LEU A 66 3.876 -4.279 3.660 1.00 0.57 H new ATOM 0 HD13 LEU A 66 4.036 -2.685 4.434 1.00 0.57 H new ATOM 0 HD21 LEU A 66 6.138 -3.582 6.476 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.727 -2.581 6.892 1.00 0.60 H new ATOM 0 HD23 LEU A 66 5.019 -4.109 7.756 1.00 0.60 H new ATOM 995 N LYS A 67 0.543 -3.770 8.149 1.00 0.45 N ATOM 996 CA LYS A 67 -0.835 -3.578 8.590 1.00 0.50 C ATOM 997 C LYS A 67 -1.555 -2.374 7.956 1.00 0.43 C ATOM 998 O LYS A 67 -2.318 -2.533 7.006 1.00 0.52 O ATOM 999 CB LYS A 67 -0.930 -3.600 10.142 1.00 0.64 C ATOM 1000 CG LYS A 67 0.377 -3.244 10.860 1.00 0.85 C ATOM 1001 CD LYS A 67 0.260 -3.368 12.369 1.00 0.88 C ATOM 1002 CE LYS A 67 1.639 -3.459 13.050 1.00 1.86 C ATOM 1003 NZ LYS A 67 2.516 -2.286 12.814 1.00 2.69 N ATOM 0 H LYS A 67 1.079 -2.908 8.048 1.00 0.45 H new ATOM 0 HA LYS A 67 -1.393 -4.433 8.208 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -1.705 -2.902 10.457 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -1.247 -4.593 10.461 1.00 0.64 H new ATOM 0 HG2 LYS A 67 1.173 -3.898 10.505 1.00 0.85 H new ATOM 0 HG3 LYS A 67 0.664 -2.224 10.603 1.00 0.85 H new ATOM 0 HD2 LYS A 67 -0.282 -2.508 12.762 1.00 0.88 H new ATOM 0 HD3 LYS A 67 -0.325 -4.254 12.616 1.00 0.88 H new ATOM 0 HE2 LYS A 67 1.494 -3.579 14.124 1.00 1.86 H new ATOM 0 HE3 LYS A 67 2.148 -4.355 12.695 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 3.331 -2.326 13.459 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 2.853 -2.297 11.830 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 1.980 -1.412 12.987 1.00 2.69 H new ATOM 1017 N THR A 68 -1.317 -1.191 8.455 1.00 0.37 N ATOM 1018 CA THR A 68 -2.009 -0.033 7.954 1.00 0.35 C ATOM 1019 C THR A 68 -1.215 0.605 6.810 1.00 0.32 C ATOM 1020 O THR A 68 -0.121 0.138 6.470 1.00 0.33 O ATOM 1021 CB THR A 68 -2.213 0.995 9.087 1.00 0.38 C ATOM 1022 OG1 THR A 68 -0.938 1.348 9.637 1.00 0.36 O ATOM 1023 CG2 THR A 68 -3.088 0.427 10.200 1.00 0.46 C ATOM 0 H THR A 68 -0.652 -1.003 9.205 1.00 0.37 H new ATOM 0 HA THR A 68 -2.983 -0.345 7.577 1.00 0.35 H new ATOM 0 HB THR A 68 -2.709 1.870 8.668 1.00 0.38 H new ATOM 0 HG1 THR A 68 -1.062 2.002 10.356 1.00 0.36 H new ATOM 0 HG21 THR A 68 -3.213 1.175 10.983 1.00 0.46 H new ATOM 0 HG22 THR A 68 -4.064 0.160 9.795 1.00 0.46 H new ATOM 0 HG23 THR A 68 -2.614 -0.460 10.619 1.00 0.46 H new ATOM 1031 N VAL A 69 -1.710 1.700 6.260 1.00 0.33 N ATOM 1032 CA VAL A 69 -0.971 2.393 5.217 1.00 0.33 C ATOM 1033 C VAL A 69 0.098 3.271 5.847 1.00 0.34 C ATOM 1034 O VAL A 69 1.035 3.703 5.184 1.00 0.36 O ATOM 1035 CB VAL A 69 -1.859 3.240 4.266 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -2.866 2.377 3.535 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -2.566 4.330 5.021 1.00 0.56 C ATOM 0 H VAL A 69 -2.603 2.123 6.511 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.520 1.619 4.596 1.00 0.33 H new ATOM 0 HB VAL A 69 -1.200 3.696 3.527 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -3.471 3.001 2.878 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -2.341 1.628 2.942 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -3.512 1.879 4.258 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -3.182 4.909 4.333 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -3.199 3.888 5.790 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -1.831 4.985 5.489 1.00 0.56 H new ATOM 1047 N GLY A 70 -0.041 3.491 7.153 1.00 0.36 N ATOM 1048 CA GLY A 70 0.939 4.237 7.907 1.00 0.38 C ATOM 1049 C GLY A 70 2.036 3.315 8.359 1.00 0.39 C ATOM 1050 O GLY A 70 3.131 3.741 8.711 1.00 0.46 O ATOM 0 H GLY A 70 -0.831 3.157 7.705 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.353 5.037 7.293 1.00 0.38 H new ATOM 0 HA3 GLY A 70 0.468 4.708 8.770 1.00 0.38 H new ATOM 1054 N ASP A 71 1.717 2.049 8.371 1.00 0.42 N ATOM 1055 CA ASP A 71 2.669 1.004 8.680 1.00 0.50 C ATOM 1056 C ASP A 71 3.454 0.654 7.431 1.00 0.49 C ATOM 1057 O ASP A 71 4.685 0.599 7.446 1.00 0.58 O ATOM 1058 CB ASP A 71 1.938 -0.228 9.190 1.00 0.62 C ATOM 1059 CG ASP A 71 2.845 -1.367 9.488 1.00 0.82 C ATOM 1060 OD1 ASP A 71 3.488 -1.365 10.536 1.00 1.00 O ATOM 1061 OD2 ASP A 71 2.876 -2.307 8.725 1.00 1.62 O ATOM 0 H ASP A 71 0.779 1.705 8.165 1.00 0.42 H new ATOM 0 HA ASP A 71 3.353 1.355 9.453 1.00 0.50 H new ATOM 0 HB2 ASP A 71 1.385 0.033 10.092 1.00 0.62 H new ATOM 0 HB3 ASP A 71 1.205 -0.541 8.447 1.00 0.62 H new ATOM 1066 N ALA A 72 2.721 0.476 6.333 1.00 0.43 N ATOM 1067 CA ALA A 72 3.289 0.102 5.050 1.00 0.48 C ATOM 1068 C ALA A 72 4.286 1.138 4.565 1.00 0.44 C ATOM 1069 O ALA A 72 5.344 0.787 4.041 1.00 0.47 O ATOM 1070 CB ALA A 72 2.187 -0.103 4.019 1.00 0.51 C ATOM 0 H ALA A 72 1.708 0.590 6.315 1.00 0.43 H new ATOM 0 HA ALA A 72 3.823 -0.839 5.182 1.00 0.48 H new ATOM 0 HB1 ALA A 72 2.630 -0.383 3.063 1.00 0.51 H new ATOM 0 HB2 ALA A 72 1.518 -0.895 4.354 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.623 0.822 3.900 1.00 0.51 H new ATOM 1076 N THR A 73 3.964 2.412 4.776 1.00 0.40 N ATOM 1077 CA THR A 73 4.822 3.509 4.389 1.00 0.39 C ATOM 1078 C THR A 73 6.203 3.384 4.988 1.00 0.39 C ATOM 1079 O THR A 73 7.186 3.563 4.295 1.00 0.41 O ATOM 1080 CB THR A 73 4.220 4.841 4.801 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.398 4.665 5.942 1.00 0.36 O ATOM 1082 CG2 THR A 73 3.451 5.468 3.679 1.00 0.46 C ATOM 0 H THR A 73 3.095 2.705 5.223 1.00 0.40 H new ATOM 0 HA THR A 73 4.910 3.468 3.303 1.00 0.39 H new ATOM 0 HB THR A 73 5.034 5.521 5.052 1.00 0.37 H new ATOM 0 HG1 THR A 73 2.467 4.546 5.659 1.00 0.36 H new ATOM 0 HG21 THR A 73 3.035 6.419 4.010 1.00 0.46 H new ATOM 0 HG22 THR A 73 4.116 5.638 2.832 1.00 0.46 H new ATOM 0 HG23 THR A 73 2.642 4.803 3.377 1.00 0.46 H new ATOM 1090 N LYS A 74 6.254 3.036 6.268 1.00 0.47 N ATOM 1091 CA LYS A 74 7.497 2.881 7.000 1.00 0.53 C ATOM 1092 C LYS A 74 8.425 1.880 6.303 1.00 0.48 C ATOM 1093 O LYS A 74 9.635 2.075 6.255 1.00 0.55 O ATOM 1094 CB LYS A 74 7.202 2.460 8.450 1.00 0.65 C ATOM 1095 CG LYS A 74 8.435 2.278 9.323 1.00 1.26 C ATOM 1096 CD LYS A 74 8.066 1.976 10.771 1.00 1.88 C ATOM 1097 CE LYS A 74 7.318 3.140 11.428 1.00 2.66 C ATOM 1098 NZ LYS A 74 8.095 4.402 11.377 1.00 3.54 N ATOM 0 H LYS A 74 5.423 2.852 6.830 1.00 0.47 H new ATOM 0 HA LYS A 74 8.015 3.840 7.020 1.00 0.53 H new ATOM 0 HB2 LYS A 74 6.557 3.210 8.908 1.00 0.65 H new ATOM 0 HB3 LYS A 74 6.642 1.525 8.436 1.00 0.65 H new ATOM 0 HG2 LYS A 74 9.044 1.466 8.926 1.00 1.26 H new ATOM 0 HG3 LYS A 74 9.044 3.181 9.284 1.00 1.26 H new ATOM 0 HD2 LYS A 74 7.446 1.080 10.808 1.00 1.88 H new ATOM 0 HD3 LYS A 74 8.971 1.761 11.338 1.00 1.88 H new ATOM 0 HE2 LYS A 74 6.361 3.284 10.927 1.00 2.66 H new ATOM 0 HE3 LYS A 74 7.100 2.890 12.466 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 7.663 5.101 12.014 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 9.074 4.219 11.676 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 8.093 4.772 10.405 1.00 3.54 H new ATOM 1112 N TYR A 75 7.850 0.834 5.735 1.00 0.45 N ATOM 1113 CA TYR A 75 8.637 -0.136 5.006 1.00 0.44 C ATOM 1114 C TYR A 75 8.963 0.364 3.592 1.00 0.40 C ATOM 1115 O TYR A 75 10.122 0.361 3.178 1.00 0.48 O ATOM 1116 CB TYR A 75 7.952 -1.515 4.957 1.00 0.49 C ATOM 1117 CG TYR A 75 8.686 -2.496 4.066 1.00 0.50 C ATOM 1118 CD1 TYR A 75 9.978 -2.903 4.361 1.00 0.68 C ATOM 1119 CD2 TYR A 75 8.060 -3.059 2.965 1.00 0.52 C ATOM 1120 CE1 TYR A 75 10.621 -3.841 3.583 1.00 0.77 C ATOM 1121 CE2 TYR A 75 8.701 -3.985 2.181 1.00 0.61 C ATOM 1122 CZ TYR A 75 10.077 -4.201 2.384 1.00 0.69 C ATOM 1123 OH TYR A 75 10.596 -5.328 1.729 1.00 0.83 O ATOM 0 H TYR A 75 6.849 0.638 5.766 1.00 0.45 H new ATOM 0 HA TYR A 75 9.575 -0.258 5.548 1.00 0.44 H new ATOM 0 HB2 TYR A 75 7.890 -1.922 5.966 1.00 0.49 H new ATOM 0 HB3 TYR A 75 6.930 -1.397 4.597 1.00 0.49 H new ATOM 0 HD1 TYR A 75 10.488 -2.479 5.213 1.00 0.68 H new ATOM 0 HD2 TYR A 75 7.050 -2.764 2.720 1.00 0.52 H new ATOM 0 HE1 TYR A 75 11.546 -4.287 3.918 1.00 0.77 H new ATOM 0 HE2 TYR A 75 8.162 -4.536 1.425 1.00 0.61 H new ATOM 0 HH TYR A 75 10.934 -5.965 2.392 1.00 0.83 H new ATOM 1133 N ILE A 76 7.940 0.802 2.871 1.00 0.37 N ATOM 1134 CA ILE A 76 8.086 1.273 1.488 1.00 0.43 C ATOM 1135 C ILE A 76 9.115 2.391 1.405 1.00 0.52 C ATOM 1136 O ILE A 76 10.104 2.265 0.698 1.00 0.65 O ATOM 1137 CB ILE A 76 6.733 1.784 0.946 1.00 0.45 C ATOM 1138 CG1 ILE A 76 5.710 0.655 0.964 1.00 0.48 C ATOM 1139 CG2 ILE A 76 6.892 2.333 -0.476 1.00 0.59 C ATOM 1140 CD1 ILE A 76 4.322 1.108 0.628 1.00 0.55 C ATOM 0 H ILE A 76 6.983 0.843 3.222 1.00 0.37 H new ATOM 0 HA ILE A 76 8.424 0.432 0.882 1.00 0.43 H new ATOM 0 HB ILE A 76 6.383 2.593 1.587 1.00 0.45 H new ATOM 0 HG12 ILE A 76 6.015 -0.114 0.255 1.00 0.48 H new ATOM 0 HG13 ILE A 76 5.705 0.194 1.952 1.00 0.48 H new ATOM 0 HG21 ILE A 76 5.927 2.688 -0.839 1.00 0.59 H new ATOM 0 HG22 ILE A 76 7.603 3.159 -0.470 1.00 0.59 H new ATOM 0 HG23 ILE A 76 7.259 1.543 -1.132 1.00 0.59 H new ATOM 0 HD11 ILE A 76 3.644 0.255 0.659 1.00 0.55 H new ATOM 0 HD12 ILE A 76 3.998 1.856 1.352 1.00 0.55 H new ATOM 0 HD13 ILE A 76 4.313 1.543 -0.371 1.00 0.55 H new ATOM 1152 N LEU A 77 8.877 3.450 2.156 1.00 0.52 N ATOM 1153 CA LEU A 77 9.728 4.633 2.188 1.00 0.71 C ATOM 1154 C LEU A 77 11.159 4.297 2.585 1.00 0.78 C ATOM 1155 O LEU A 77 12.095 4.954 2.160 1.00 0.96 O ATOM 1156 CB LEU A 77 9.145 5.640 3.165 1.00 0.86 C ATOM 1157 CG LEU A 77 9.945 6.914 3.443 1.00 0.88 C ATOM 1158 CD1 LEU A 77 10.081 7.759 2.194 1.00 1.74 C ATOM 1159 CD2 LEU A 77 9.301 7.705 4.568 1.00 0.99 C ATOM 0 H LEU A 77 8.070 3.517 2.776 1.00 0.52 H new ATOM 0 HA LEU A 77 9.760 5.054 1.183 1.00 0.71 H new ATOM 0 HB2 LEU A 77 8.164 5.936 2.794 1.00 0.86 H new ATOM 0 HB3 LEU A 77 8.987 5.131 4.116 1.00 0.86 H new ATOM 0 HG LEU A 77 10.949 6.626 3.754 1.00 0.88 H new ATOM 0 HD11 LEU A 77 10.654 8.657 2.423 1.00 1.74 H new ATOM 0 HD12 LEU A 77 10.596 7.187 1.422 1.00 1.74 H new ATOM 0 HD13 LEU A 77 9.091 8.042 1.836 1.00 1.74 H new ATOM 0 HD21 LEU A 77 9.881 8.609 4.755 1.00 0.99 H new ATOM 0 HD22 LEU A 77 8.284 7.978 4.285 1.00 0.99 H new ATOM 0 HD23 LEU A 77 9.275 7.097 5.472 1.00 0.99 H new ATOM 1171 N ASP A 78 11.330 3.260 3.369 1.00 0.71 N ATOM 1172 CA ASP A 78 12.676 2.918 3.843 1.00 0.84 C ATOM 1173 C ASP A 78 13.405 2.014 2.865 1.00 0.94 C ATOM 1174 O ASP A 78 14.607 2.150 2.652 1.00 1.09 O ATOM 1175 CB ASP A 78 12.650 2.277 5.230 1.00 0.91 C ATOM 1176 CG ASP A 78 14.044 2.007 5.771 1.00 1.15 C ATOM 1177 OD1 ASP A 78 14.699 2.938 6.281 1.00 1.32 O ATOM 1178 OD2 ASP A 78 14.518 0.846 5.677 1.00 1.26 O ATOM 0 H ASP A 78 10.584 2.644 3.693 1.00 0.71 H new ATOM 0 HA ASP A 78 13.222 3.858 3.915 1.00 0.84 H new ATOM 0 HB2 ASP A 78 12.116 2.931 5.919 1.00 0.91 H new ATOM 0 HB3 ASP A 78 12.094 1.341 5.184 1.00 0.91 H new