USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 THR OG1 : rot 119:sc= 0.0788! USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0.159 K(o=0.24,f=-13!) USER MOD Set 2.1: A 7 THR OG1 : rot -84:sc= 0.505 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -91:sc= 0.209 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -1.99 F(o=-2.7!,f=-2) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= -0.13 (180deg=-0.738) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.171) USER MOD Single : A 31 GLN :FLIP amide:sc= -11.2! C(o=-14!,f=-11!) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.0132 (180deg=-0.395) USER MOD Single : A 40 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.58) USER MOD Single : A 41 GLN :FLIP amide:sc= -4.08! C(o=-6.1!,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00123 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.246 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 62 GLN : amide:sc= -0.0281 K(o=-0.028,f=-1.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 28.787 28.047 2.690 1.00 0.00 N ATOM 21 CA GLN A 2 28.958 29.247 3.503 1.00 0.00 C ATOM 22 C GLN A 2 28.076 29.190 4.748 1.00 0.00 C ATOM 23 O GLN A 2 27.006 28.588 4.738 1.00 0.00 O ATOM 24 CB GLN A 2 28.588 30.479 2.673 1.00 0.00 C ATOM 25 CG GLN A 2 27.247 30.241 1.970 1.00 0.00 C ATOM 26 CD GLN A 2 26.873 31.458 1.130 1.00 0.00 C ATOM 27 OE1 GLN A 2 27.716 32.005 0.418 1.00 0.00 O ATOM 28 NE2 GLN A 2 25.652 31.916 1.169 1.00 0.00 N ATOM 0 HA GLN A 2 30.000 29.308 3.819 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.522 31.357 3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.366 30.681 1.936 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.312 29.357 1.335 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.470 30.046 2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 2 24.955 31.461 1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.394 32.729 0.609 1.00 0.00 H new ATOM 37 N ILE A 3 28.546 29.826 5.818 1.00 0.00 N ATOM 38 CA ILE A 3 27.807 29.859 7.078 1.00 0.00 C ATOM 39 C ILE A 3 27.939 31.225 7.747 1.00 0.00 C ATOM 40 O ILE A 3 28.979 31.874 7.658 1.00 0.00 O ATOM 41 CB ILE A 3 28.324 28.773 8.023 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.795 29.033 8.376 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.205 27.405 7.350 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.257 28.018 9.419 1.00 0.00 C ATOM 0 H ILE A 3 29.435 30.326 5.838 1.00 0.00 H new ATOM 0 HA ILE A 3 26.755 29.676 6.859 1.00 0.00 H new ATOM 0 HB ILE A 3 27.727 28.790 8.935 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.413 28.958 7.481 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.914 30.046 8.761 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.574 26.634 8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.160 27.207 7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.796 27.398 6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.302 28.203 9.669 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.646 28.115 10.317 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.153 27.010 9.017 1.00 0.00 H new ATOM 56 N PHE A 4 26.873 31.651 8.413 1.00 0.00 N ATOM 57 CA PHE A 4 26.857 32.948 9.093 1.00 0.00 C ATOM 58 C PHE A 4 27.203 32.781 10.565 1.00 0.00 C ATOM 59 O PHE A 4 26.591 31.966 11.256 1.00 0.00 O ATOM 60 CB PHE A 4 25.466 33.573 8.975 1.00 0.00 C ATOM 61 CG PHE A 4 25.222 34.017 7.552 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.534 33.178 6.667 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.673 35.270 7.121 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.300 33.591 5.350 1.00 0.00 C ATOM 65 CE2 PHE A 4 25.441 35.683 5.804 1.00 0.00 C ATOM 66 CZ PHE A 4 24.752 34.844 4.919 1.00 0.00 C ATOM 0 H PHE A 4 26.006 31.120 8.499 1.00 0.00 H new ATOM 0 HA PHE A 4 27.597 33.595 8.623 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.707 32.851 9.275 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.382 34.424 9.651 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.184 32.212 7.000 1.00 0.00 H new ATOM 0 HD2 PHE A 4 26.200 35.918 7.805 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.771 32.943 4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 4 25.793 36.648 5.470 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.569 35.164 3.904 1.00 0.00 H new ATOM 76 N VAL A 5 28.179 33.558 11.056 1.00 0.00 N ATOM 77 CA VAL A 5 28.581 33.486 12.462 1.00 0.00 C ATOM 78 C VAL A 5 28.236 34.782 13.178 1.00 0.00 C ATOM 79 O VAL A 5 28.763 35.848 12.863 1.00 0.00 O ATOM 80 CB VAL A 5 30.084 33.214 12.568 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.547 33.394 14.020 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.351 31.775 12.133 1.00 0.00 C ATOM 0 H VAL A 5 28.700 34.238 10.502 1.00 0.00 H new ATOM 0 HA VAL A 5 28.039 32.668 12.937 1.00 0.00 H new ATOM 0 HB VAL A 5 30.628 33.911 11.931 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.617 33.199 14.087 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.343 34.415 14.343 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.010 32.696 14.662 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.418 31.566 12.203 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.804 31.091 12.782 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.022 31.639 11.103 1.00 0.00 H new ATOM 92 N LYS A 6 27.336 34.663 14.130 1.00 0.00 N ATOM 93 CA LYS A 6 26.884 35.810 14.907 1.00 0.00 C ATOM 94 C LYS A 6 27.719 35.960 16.179 1.00 0.00 C ATOM 95 O LYS A 6 27.588 35.170 17.113 1.00 0.00 O ATOM 96 CB LYS A 6 25.415 35.597 15.257 1.00 0.00 C ATOM 97 CG LYS A 6 24.799 36.880 15.803 1.00 0.00 C ATOM 98 CD LYS A 6 23.321 36.616 16.100 1.00 0.00 C ATOM 99 CE LYS A 6 22.697 37.827 16.791 1.00 0.00 C ATOM 100 NZ LYS A 6 21.262 37.541 17.084 1.00 0.00 N ATOM 0 H LYS A 6 26.897 33.780 14.390 1.00 0.00 H new ATOM 0 HA LYS A 6 27.002 36.724 14.325 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.868 35.274 14.371 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.324 34.801 15.996 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.318 37.195 16.709 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.902 37.688 15.079 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.789 36.403 15.173 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.222 35.735 16.734 1.00 0.00 H new ATOM 0 HE2 LYS A 6 23.232 38.049 17.715 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.782 38.708 16.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.833 38.363 17.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.758 37.349 16.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.194 36.711 17.707 1.00 0.00 H new ATOM 114 N THR A 7 28.581 36.977 16.206 1.00 0.00 N ATOM 115 CA THR A 7 29.433 37.215 17.371 1.00 0.00 C ATOM 116 C THR A 7 28.611 37.799 18.517 1.00 0.00 C ATOM 117 O THR A 7 27.476 38.229 18.319 1.00 0.00 O ATOM 118 CB THR A 7 30.575 38.169 17.007 1.00 0.00 C ATOM 119 OG1 THR A 7 30.037 39.427 16.626 1.00 0.00 O ATOM 120 CG2 THR A 7 31.389 37.580 15.849 1.00 0.00 C ATOM 0 H THR A 7 28.707 37.642 15.443 1.00 0.00 H new ATOM 0 HA THR A 7 29.857 36.263 17.691 1.00 0.00 H new ATOM 0 HB THR A 7 31.227 38.302 17.870 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.784 39.402 15.679 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.201 38.260 15.592 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.803 36.617 16.148 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.742 37.443 14.982 1.00 0.00 H new ATOM 128 N LEU A 8 29.178 37.821 19.720 1.00 0.00 N ATOM 129 CA LEU A 8 28.462 38.355 20.871 1.00 0.00 C ATOM 130 C LEU A 8 28.317 39.871 20.783 1.00 0.00 C ATOM 131 O LEU A 8 27.323 40.432 21.244 1.00 0.00 O ATOM 132 CB LEU A 8 29.198 37.984 22.164 1.00 0.00 C ATOM 133 CG LEU A 8 28.418 38.524 23.394 1.00 0.00 C ATOM 134 CD1 LEU A 8 28.409 37.479 24.516 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.082 39.810 23.912 1.00 0.00 C ATOM 0 H LEU A 8 30.118 37.480 19.921 1.00 0.00 H new ATOM 0 HA LEU A 8 27.464 37.916 20.876 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.301 36.901 22.235 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.205 38.400 22.151 1.00 0.00 H new ATOM 0 HG LEU A 8 27.394 38.737 23.088 1.00 0.00 H new ATOM 0 HD11 LEU A 8 27.859 37.869 25.372 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.928 36.568 24.161 1.00 0.00 H new ATOM 0 HD13 LEU A 8 29.434 37.256 24.814 1.00 0.00 H new ATOM 0 HD21 LEU A 8 28.530 40.183 24.774 1.00 0.00 H new ATOM 0 HD22 LEU A 8 30.110 39.596 24.204 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.078 40.564 23.125 1.00 0.00 H new ATOM 147 N THR A 9 29.312 40.531 20.203 1.00 0.00 N ATOM 148 CA THR A 9 29.270 41.984 20.081 1.00 0.00 C ATOM 149 C THR A 9 28.203 42.402 19.077 1.00 0.00 C ATOM 150 O THR A 9 27.950 43.591 18.889 1.00 0.00 O ATOM 151 CB THR A 9 30.633 42.519 19.637 1.00 0.00 C ATOM 152 OG1 THR A 9 30.899 42.091 18.309 1.00 0.00 O ATOM 153 CG2 THR A 9 31.721 41.994 20.575 1.00 0.00 C ATOM 0 H THR A 9 30.147 40.092 19.815 1.00 0.00 H new ATOM 0 HA THR A 9 29.023 42.403 21.056 1.00 0.00 H new ATOM 0 HB THR A 9 30.624 43.608 19.671 1.00 0.00 H new ATOM 0 HG1 THR A 9 31.771 42.434 18.023 1.00 0.00 H new ATOM 0 HG21 THR A 9 32.691 42.376 20.257 1.00 0.00 H new ATOM 0 HG22 THR A 9 31.516 42.327 21.593 1.00 0.00 H new ATOM 0 HG23 THR A 9 31.733 40.904 20.545 1.00 0.00 H new ATOM 161 N GLY A 10 27.575 41.418 18.436 1.00 0.00 N ATOM 162 CA GLY A 10 26.531 41.700 17.457 1.00 0.00 C ATOM 163 C GLY A 10 27.129 41.919 16.075 1.00 0.00 C ATOM 164 O GLY A 10 26.451 42.403 15.168 1.00 0.00 O ATOM 0 H GLY A 10 27.770 40.427 18.576 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.824 40.871 17.425 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.972 42.585 17.760 1.00 0.00 H new ATOM 168 N LYS A 11 28.391 41.531 15.906 1.00 0.00 N ATOM 169 CA LYS A 11 29.057 41.659 14.614 1.00 0.00 C ATOM 170 C LYS A 11 28.893 40.370 13.820 1.00 0.00 C ATOM 171 O LYS A 11 29.405 39.320 14.213 1.00 0.00 O ATOM 172 CB LYS A 11 30.547 41.956 14.814 1.00 0.00 C ATOM 173 CG LYS A 11 31.174 42.397 13.475 1.00 0.00 C ATOM 174 CD LYS A 11 31.027 43.914 13.304 1.00 0.00 C ATOM 175 CE LYS A 11 31.731 44.355 12.023 1.00 0.00 C ATOM 176 NZ LYS A 11 31.463 45.801 11.786 1.00 0.00 N ATOM 0 H LYS A 11 28.969 41.128 16.643 1.00 0.00 H new ATOM 0 HA LYS A 11 28.603 42.483 14.064 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.674 42.739 15.562 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.057 41.069 15.191 1.00 0.00 H new ATOM 0 HG2 LYS A 11 32.228 42.120 13.448 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.687 41.880 12.648 1.00 0.00 H new ATOM 0 HD2 LYS A 11 29.972 44.185 13.263 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.456 44.430 14.163 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.804 44.181 12.106 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.377 43.765 11.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.941 46.104 10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.439 45.953 11.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.822 46.357 12.589 1.00 0.00 H new ATOM 190 N THR A 12 28.173 40.448 12.709 1.00 0.00 N ATOM 191 CA THR A 12 27.943 39.275 11.873 1.00 0.00 C ATOM 192 C THR A 12 29.059 39.112 10.849 1.00 0.00 C ATOM 193 O THR A 12 29.323 40.018 10.061 1.00 0.00 O ATOM 194 CB THR A 12 26.611 39.425 11.137 1.00 0.00 C ATOM 195 OG1 THR A 12 25.556 39.503 12.085 1.00 0.00 O ATOM 196 CG2 THR A 12 26.387 38.219 10.217 1.00 0.00 C ATOM 0 H THR A 12 27.740 41.305 12.366 1.00 0.00 H new ATOM 0 HA THR A 12 27.922 38.395 12.515 1.00 0.00 H new ATOM 0 HB THR A 12 26.630 40.334 10.536 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.701 39.601 11.616 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.437 38.331 9.695 1.00 0.00 H new ATOM 0 HG22 THR A 12 27.196 38.161 9.489 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.369 37.306 10.812 1.00 0.00 H new ATOM 204 N ILE A 13 29.711 37.949 10.855 1.00 0.00 N ATOM 205 CA ILE A 13 30.795 37.678 9.906 1.00 0.00 C ATOM 206 C ILE A 13 30.577 36.322 9.248 1.00 0.00 C ATOM 207 O ILE A 13 30.329 35.323 9.921 1.00 0.00 O ATOM 208 CB ILE A 13 32.143 37.679 10.627 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.283 37.617 9.596 1.00 0.00 C ATOM 210 CG2 ILE A 13 32.219 36.467 11.560 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.613 37.368 10.310 1.00 0.00 C ATOM 0 H ILE A 13 29.511 37.184 11.500 1.00 0.00 H new ATOM 0 HA ILE A 13 30.796 38.459 9.145 1.00 0.00 H new ATOM 0 HB ILE A 13 32.243 38.593 11.212 1.00 0.00 H new ATOM 0 HG12 ILE A 13 33.092 36.822 8.876 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.330 38.550 9.035 1.00 0.00 H new ATOM 0 HG21 ILE A 13 33.179 36.465 12.076 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.414 36.521 12.293 1.00 0.00 H new ATOM 0 HG23 ILE A 13 32.118 35.552 10.977 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.418 37.325 9.576 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.806 38.179 11.013 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.564 36.423 10.851 1.00 0.00 H new ATOM 223 N THR A 14 30.636 36.306 7.927 1.00 0.00 N ATOM 224 CA THR A 14 30.417 35.077 7.169 1.00 0.00 C ATOM 225 C THR A 14 31.698 34.254 7.064 1.00 0.00 C ATOM 226 O THR A 14 32.804 34.794 6.993 1.00 0.00 O ATOM 227 CB THR A 14 29.894 35.415 5.769 1.00 0.00 C ATOM 228 OG1 THR A 14 28.809 36.326 5.888 1.00 0.00 O ATOM 229 CG2 THR A 14 29.411 34.138 5.070 1.00 0.00 C ATOM 0 H THR A 14 30.833 37.127 7.354 1.00 0.00 H new ATOM 0 HA THR A 14 29.676 34.479 7.699 1.00 0.00 H new ATOM 0 HB THR A 14 30.695 35.863 5.180 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.968 35.827 5.951 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.041 34.386 4.075 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.239 33.435 4.984 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.609 33.685 5.653 1.00 0.00 H new ATOM 237 N LEU A 15 31.520 32.937 7.076 1.00 0.00 N ATOM 238 CA LEU A 15 32.631 31.989 7.001 1.00 0.00 C ATOM 239 C LEU A 15 32.456 31.048 5.804 1.00 0.00 C ATOM 240 O LEU A 15 31.383 30.478 5.601 1.00 0.00 O ATOM 241 CB LEU A 15 32.662 31.162 8.314 1.00 0.00 C ATOM 242 CG LEU A 15 34.088 31.067 8.884 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.439 32.370 9.609 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.157 29.901 9.878 1.00 0.00 C ATOM 0 H LEU A 15 30.603 32.495 7.138 1.00 0.00 H new ATOM 0 HA LEU A 15 33.566 32.535 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 15 32.004 31.622 9.051 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.277 30.160 8.124 1.00 0.00 H new ATOM 0 HG LEU A 15 34.795 30.902 8.071 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.449 32.301 10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.384 33.203 8.908 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.734 32.535 10.424 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.166 29.829 10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.450 30.072 10.689 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.905 28.972 9.367 1.00 0.00 H new ATOM 256 N GLU A 16 33.529 30.861 5.046 1.00 0.00 N ATOM 257 CA GLU A 16 33.499 29.946 3.900 1.00 0.00 C ATOM 258 C GLU A 16 34.123 28.621 4.323 1.00 0.00 C ATOM 259 O GLU A 16 35.261 28.592 4.794 1.00 0.00 O ATOM 260 CB GLU A 16 34.281 30.529 2.721 1.00 0.00 C ATOM 261 CG GLU A 16 33.472 31.655 2.075 1.00 0.00 C ATOM 262 CD GLU A 16 34.365 32.470 1.147 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.326 31.913 0.642 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.077 33.639 0.958 1.00 0.00 O ATOM 0 H GLU A 16 34.425 31.323 5.197 1.00 0.00 H new ATOM 0 HA GLU A 16 32.467 29.797 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 16 35.244 30.909 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.488 29.749 1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.635 31.238 1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.050 32.300 2.846 1.00 0.00 H new ATOM 271 N VAL A 17 33.382 27.527 4.160 1.00 0.00 N ATOM 272 CA VAL A 17 33.897 26.207 4.543 1.00 0.00 C ATOM 273 C VAL A 17 33.213 25.107 3.740 1.00 0.00 C ATOM 274 O VAL A 17 32.283 25.352 2.980 1.00 0.00 O ATOM 275 CB VAL A 17 33.693 25.972 6.053 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.204 26.018 6.410 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.265 24.617 6.485 1.00 0.00 C ATOM 0 H VAL A 17 32.439 27.523 3.772 1.00 0.00 H new ATOM 0 HA VAL A 17 34.964 26.178 4.324 1.00 0.00 H new ATOM 0 HB VAL A 17 34.222 26.767 6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.081 25.850 7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.797 26.994 6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.673 25.243 5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.106 24.479 7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.763 23.819 5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.333 24.588 6.270 1.00 0.00 H new ATOM 287 N GLU A 18 33.684 23.896 3.949 1.00 0.00 N ATOM 288 CA GLU A 18 33.130 22.711 3.281 1.00 0.00 C ATOM 289 C GLU A 18 32.117 22.034 4.214 1.00 0.00 C ATOM 290 O GLU A 18 32.369 21.937 5.415 1.00 0.00 O ATOM 291 CB GLU A 18 34.249 21.725 2.938 1.00 0.00 C ATOM 292 CG GLU A 18 35.408 22.481 2.286 1.00 0.00 C ATOM 293 CD GLU A 18 36.516 21.507 1.902 1.00 0.00 C ATOM 294 OE1 GLU A 18 37.341 21.215 2.752 1.00 0.00 O ATOM 295 OE2 GLU A 18 36.521 21.066 0.765 1.00 0.00 O ATOM 0 H GLU A 18 34.458 23.693 4.582 1.00 0.00 H new ATOM 0 HA GLU A 18 32.637 23.018 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.592 21.219 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.876 20.955 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 18 35.055 23.011 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 18 35.795 23.232 2.974 1.00 0.00 H new ATOM 302 N PRO A 19 30.987 21.577 3.722 1.00 0.00 N ATOM 303 CA PRO A 19 29.963 20.926 4.595 1.00 0.00 C ATOM 304 C PRO A 19 30.451 19.596 5.165 1.00 0.00 C ATOM 305 O PRO A 19 29.779 18.983 5.994 1.00 0.00 O ATOM 306 CB PRO A 19 28.756 20.732 3.662 1.00 0.00 C ATOM 307 CG PRO A 19 29.339 20.685 2.285 1.00 0.00 C ATOM 308 CD PRO A 19 30.556 21.610 2.310 1.00 0.00 C ATOM 0 HA PRO A 19 29.727 21.529 5.472 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.220 19.812 3.896 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.044 21.551 3.762 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.627 19.668 2.018 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.613 21.016 1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.342 21.257 1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.298 22.620 1.993 1.00 0.00 H new ATOM 316 N SER A 20 31.623 19.153 4.716 1.00 0.00 N ATOM 317 CA SER A 20 32.193 17.892 5.190 1.00 0.00 C ATOM 318 C SER A 20 33.213 18.157 6.290 1.00 0.00 C ATOM 319 O SER A 20 33.481 17.288 7.120 1.00 0.00 O ATOM 320 CB SER A 20 32.851 17.152 4.025 1.00 0.00 C ATOM 321 OG SER A 20 33.981 17.888 3.578 1.00 0.00 O ATOM 0 H SER A 20 32.195 19.644 4.029 1.00 0.00 H new ATOM 0 HA SER A 20 31.395 17.272 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 20 33.154 16.153 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.138 17.027 3.210 1.00 0.00 H new ATOM 0 HG SER A 20 34.406 17.415 2.832 1.00 0.00 H new ATOM 327 N ASP A 21 33.806 19.350 6.276 1.00 0.00 N ATOM 328 CA ASP A 21 34.807 19.705 7.263 1.00 0.00 C ATOM 329 C ASP A 21 34.283 19.428 8.665 1.00 0.00 C ATOM 330 O ASP A 21 33.071 19.472 8.911 1.00 0.00 O ATOM 331 CB ASP A 21 35.133 21.196 7.121 1.00 0.00 C ATOM 332 CG ASP A 21 36.100 21.425 5.962 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.409 20.467 5.277 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.528 22.553 5.785 1.00 0.00 O ATOM 0 H ASP A 21 33.607 20.080 5.592 1.00 0.00 H new ATOM 0 HA ASP A 21 35.705 19.109 7.102 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.216 21.760 6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 21 35.572 21.568 8.047 1.00 0.00 H new ATOM 339 N THR A 22 35.203 19.146 9.582 1.00 0.00 N ATOM 340 CA THR A 22 34.831 18.873 10.962 1.00 0.00 C ATOM 341 C THR A 22 34.642 20.179 11.728 1.00 0.00 C ATOM 342 O THR A 22 34.838 21.274 11.184 1.00 0.00 O ATOM 343 CB THR A 22 35.903 18.020 11.643 1.00 0.00 C ATOM 344 OG1 THR A 22 37.120 18.746 11.695 1.00 0.00 O ATOM 345 CG2 THR A 22 36.107 16.727 10.850 1.00 0.00 C ATOM 0 H THR A 22 36.205 19.101 9.395 1.00 0.00 H new ATOM 0 HA THR A 22 33.890 18.323 10.963 1.00 0.00 H new ATOM 0 HB THR A 22 35.585 17.774 12.656 1.00 0.00 H new ATOM 0 HG1 THR A 22 37.807 18.201 12.133 1.00 0.00 H new ATOM 0 HG21 THR A 22 36.871 16.119 11.335 1.00 0.00 H new ATOM 0 HG22 THR A 22 35.170 16.171 10.813 1.00 0.00 H new ATOM 0 HG23 THR A 22 36.426 16.969 9.836 1.00 0.00 H new ATOM 353 N ILE A 23 34.289 20.060 12.998 1.00 0.00 N ATOM 354 CA ILE A 23 34.110 21.248 13.825 1.00 0.00 C ATOM 355 C ILE A 23 35.473 21.836 14.182 1.00 0.00 C ATOM 356 O ILE A 23 35.625 23.053 14.292 1.00 0.00 O ATOM 357 CB ILE A 23 33.322 20.903 15.091 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.107 20.041 14.724 1.00 0.00 C ATOM 359 CG2 ILE A 23 32.838 22.186 15.767 1.00 0.00 C ATOM 360 CD1 ILE A 23 31.339 20.674 13.556 1.00 0.00 C ATOM 0 H ILE A 23 34.123 19.173 13.474 1.00 0.00 H new ATOM 0 HA ILE A 23 33.542 21.991 13.265 1.00 0.00 H new ATOM 0 HB ILE A 23 33.971 20.354 15.773 1.00 0.00 H new ATOM 0 HG12 ILE A 23 32.433 19.037 14.452 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.450 19.940 15.588 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.278 21.934 16.667 1.00 0.00 H new ATOM 0 HG22 ILE A 23 33.696 22.802 16.034 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.194 22.738 15.082 1.00 0.00 H new ATOM 0 HD11 ILE A 23 30.479 20.052 13.306 1.00 0.00 H new ATOM 0 HD12 ILE A 23 30.996 21.668 13.842 1.00 0.00 H new ATOM 0 HD13 ILE A 23 31.995 20.752 12.689 1.00 0.00 H new ATOM 372 N GLU A 24 36.469 20.966 14.335 1.00 0.00 N ATOM 373 CA GLU A 24 37.818 21.420 14.653 1.00 0.00 C ATOM 374 C GLU A 24 38.302 22.376 13.570 1.00 0.00 C ATOM 375 O GLU A 24 39.142 23.242 13.813 1.00 0.00 O ATOM 376 CB GLU A 24 38.772 20.230 14.748 1.00 0.00 C ATOM 377 CG GLU A 24 38.144 19.136 15.612 1.00 0.00 C ATOM 378 CD GLU A 24 37.849 19.676 17.007 1.00 0.00 C ATOM 379 OE1 GLU A 24 38.756 20.226 17.611 1.00 0.00 O ATOM 380 OE2 GLU A 24 36.722 19.532 17.451 1.00 0.00 O ATOM 0 H GLU A 24 36.369 19.955 14.245 1.00 0.00 H new ATOM 0 HA GLU A 24 37.799 21.933 15.615 1.00 0.00 H new ATOM 0 HB2 GLU A 24 38.986 19.843 13.752 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.722 20.546 15.178 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.224 18.780 15.149 1.00 0.00 H new ATOM 0 HG3 GLU A 24 38.818 18.282 15.679 1.00 0.00 H new ATOM 387 N ASN A 25 37.741 22.227 12.376 1.00 0.00 N ATOM 388 CA ASN A 25 38.104 23.099 11.267 1.00 0.00 C ATOM 389 C ASN A 25 37.468 24.466 11.474 1.00 0.00 C ATOM 390 O ASN A 25 38.165 25.472 11.610 1.00 0.00 O ATOM 391 CB ASN A 25 37.630 22.511 9.937 1.00 0.00 C ATOM 392 CG ASN A 25 38.266 23.273 8.777 1.00 0.00 C ATOM 393 OD1 ASN A 25 37.536 23.603 7.745 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 39.459 23.576 8.811 1.00 0.00 N flip ATOM 0 H ASN A 25 37.041 21.519 12.153 1.00 0.00 H new ATOM 0 HA ASN A 25 39.189 23.193 11.236 1.00 0.00 H new ATOM 0 HB2 ASN A 25 37.897 21.456 9.880 1.00 0.00 H new ATOM 0 HB3 ASN A 25 36.544 22.569 9.870 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.028 23.318 9.617 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.878 24.085 8.033 1.00 0.00 H new ATOM 401 N VAL A 26 36.137 24.496 11.493 1.00 0.00 N ATOM 402 CA VAL A 26 35.418 25.755 11.687 1.00 0.00 C ATOM 403 C VAL A 26 36.006 26.525 12.857 1.00 0.00 C ATOM 404 O VAL A 26 35.899 27.755 12.937 1.00 0.00 O ATOM 405 CB VAL A 26 33.943 25.470 11.947 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.187 26.784 12.135 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.372 24.722 10.754 1.00 0.00 C ATOM 0 H VAL A 26 35.541 23.676 11.378 1.00 0.00 H new ATOM 0 HA VAL A 26 35.517 26.359 10.785 1.00 0.00 H new ATOM 0 HB VAL A 26 33.838 24.868 12.850 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.134 26.574 12.320 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.604 27.326 12.984 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.283 27.391 11.235 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.317 24.512 10.927 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.478 25.332 9.857 1.00 0.00 H new ATOM 0 HG23 VAL A 26 33.911 23.784 10.620 1.00 0.00 H new ATOM 417 N LYS A 27 36.648 25.791 13.746 1.00 0.00 N ATOM 418 CA LYS A 27 37.276 26.398 14.908 1.00 0.00 C ATOM 419 C LYS A 27 38.558 27.088 14.485 1.00 0.00 C ATOM 420 O LYS A 27 38.781 28.258 14.789 1.00 0.00 O ATOM 421 CB LYS A 27 37.594 25.323 15.952 1.00 0.00 C ATOM 422 CG LYS A 27 36.297 24.850 16.631 1.00 0.00 C ATOM 423 CD LYS A 27 35.929 25.795 17.782 1.00 0.00 C ATOM 424 CE LYS A 27 34.803 25.177 18.606 1.00 0.00 C ATOM 425 NZ LYS A 27 35.298 23.941 19.276 1.00 0.00 N ATOM 0 H LYS A 27 36.749 24.778 13.688 1.00 0.00 H new ATOM 0 HA LYS A 27 36.594 27.128 15.344 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.094 24.479 15.477 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.281 25.721 16.699 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.487 24.819 15.903 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.425 23.836 17.010 1.00 0.00 H new ATOM 0 HD2 LYS A 27 36.800 25.974 18.413 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.617 26.762 17.387 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.449 25.890 19.350 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.955 24.940 17.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 34.741 23.766 20.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.199 23.132 18.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 36.299 24.061 19.530 1.00 0.00 H new ATOM 439 N ALA A 28 39.396 26.344 13.782 1.00 0.00 N ATOM 440 CA ALA A 28 40.663 26.874 13.313 1.00 0.00 C ATOM 441 C ALA A 28 40.453 28.166 12.528 1.00 0.00 C ATOM 442 O ALA A 28 41.259 29.091 12.618 1.00 0.00 O ATOM 443 CB ALA A 28 41.342 25.836 12.423 1.00 0.00 C ATOM 0 H ALA A 28 39.221 25.373 13.524 1.00 0.00 H new ATOM 0 HA ALA A 28 41.293 27.095 14.175 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.295 26.229 12.068 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.516 24.924 12.995 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.701 25.613 11.570 1.00 0.00 H new ATOM 449 N LYS A 29 39.356 28.228 11.777 1.00 0.00 N ATOM 450 CA LYS A 29 39.055 29.427 11.004 1.00 0.00 C ATOM 451 C LYS A 29 38.780 30.598 11.948 1.00 0.00 C ATOM 452 O LYS A 29 39.516 31.587 11.958 1.00 0.00 O ATOM 453 CB LYS A 29 37.846 29.180 10.095 1.00 0.00 C ATOM 454 CG LYS A 29 38.302 28.429 8.832 1.00 0.00 C ATOM 455 CD LYS A 29 37.101 27.772 8.161 1.00 0.00 C ATOM 456 CE LYS A 29 37.584 26.829 7.056 1.00 0.00 C ATOM 457 NZ LYS A 29 38.261 27.619 5.988 1.00 0.00 N ATOM 0 H LYS A 29 38.673 27.476 11.688 1.00 0.00 H new ATOM 0 HA LYS A 29 39.914 29.672 10.379 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.091 28.599 10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.383 30.128 9.821 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.784 29.120 8.140 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.042 27.673 9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.518 27.218 8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.444 28.534 7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.272 26.091 7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.741 26.280 6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.422 27.014 5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.660 28.424 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.173 27.971 6.342 1.00 0.00 H new ATOM 471 N ILE A 30 37.704 30.486 12.723 1.00 0.00 N ATOM 472 CA ILE A 30 37.325 31.535 13.652 1.00 0.00 C ATOM 473 C ILE A 30 38.506 31.929 14.541 1.00 0.00 C ATOM 474 O ILE A 30 38.659 33.097 14.889 1.00 0.00 O ATOM 475 CB ILE A 30 36.152 31.036 14.502 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.886 30.973 13.639 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.913 31.986 15.673 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.815 30.157 14.363 1.00 0.00 C ATOM 0 H ILE A 30 37.082 29.677 12.722 1.00 0.00 H new ATOM 0 HA ILE A 30 37.025 32.423 13.095 1.00 0.00 H new ATOM 0 HB ILE A 30 36.389 30.044 14.886 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.518 31.980 13.440 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.113 30.520 12.674 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.077 31.623 16.271 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.809 32.033 16.292 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.682 32.981 15.293 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.915 30.112 13.750 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.185 29.147 14.539 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.581 30.629 15.317 1.00 0.00 H new ATOM 490 N GLN A 31 39.330 30.957 14.914 1.00 0.00 N ATOM 491 CA GLN A 31 40.478 31.240 15.767 1.00 0.00 C ATOM 492 C GLN A 31 41.367 32.304 15.128 1.00 0.00 C ATOM 493 O GLN A 31 41.575 33.381 15.684 1.00 0.00 O ATOM 494 CB GLN A 31 41.297 29.955 15.985 1.00 0.00 C ATOM 495 CG GLN A 31 42.612 30.285 16.709 1.00 0.00 C ATOM 496 CD GLN A 31 42.315 31.000 18.019 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.049 32.276 18.016 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 42.326 30.378 19.075 1.00 0.00 N flip ATOM 0 H GLN A 31 39.228 29.979 14.644 1.00 0.00 H new ATOM 0 HA GLN A 31 40.114 31.609 16.726 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.719 29.241 16.571 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.509 29.482 15.026 1.00 0.00 H new ATOM 0 HG2 GLN A 31 43.171 29.369 16.903 1.00 0.00 H new ATOM 0 HG3 GLN A 31 43.239 30.913 16.076 1.00 0.00 H new ATOM 0 HE21 GLN A 31 42.534 29.379 19.077 1.00 0.00 H new ATOM 0 HE22 GLN A 31 42.127 30.859 19.952 1.00 0.00 H new ATOM 507 N ASP A 32 41.908 31.964 13.973 1.00 0.00 N ATOM 508 CA ASP A 32 42.806 32.870 13.267 1.00 0.00 C ATOM 509 C ASP A 32 42.196 34.266 13.106 1.00 0.00 C ATOM 510 O ASP A 32 42.910 35.267 13.169 1.00 0.00 O ATOM 511 CB ASP A 32 43.152 32.296 11.890 1.00 0.00 C ATOM 512 CG ASP A 32 44.048 31.070 12.045 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.826 31.043 12.985 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.945 30.176 11.221 1.00 0.00 O ATOM 0 H ASP A 32 41.745 31.074 13.503 1.00 0.00 H new ATOM 0 HA ASP A 32 43.712 32.968 13.865 1.00 0.00 H new ATOM 0 HB2 ASP A 32 42.239 32.025 11.360 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.657 33.052 11.288 1.00 0.00 H new ATOM 519 N LYS A 33 40.888 34.334 12.863 1.00 0.00 N ATOM 520 CA LYS A 33 40.227 35.627 12.654 1.00 0.00 C ATOM 521 C LYS A 33 39.904 36.380 13.954 1.00 0.00 C ATOM 522 O LYS A 33 40.120 37.589 14.034 1.00 0.00 O ATOM 523 CB LYS A 33 38.928 35.432 11.875 1.00 0.00 C ATOM 524 CG LYS A 33 39.203 34.706 10.556 1.00 0.00 C ATOM 525 CD LYS A 33 37.870 34.305 9.915 1.00 0.00 C ATOM 526 CE LYS A 33 38.129 33.496 8.641 1.00 0.00 C ATOM 527 NZ LYS A 33 38.872 34.336 7.659 1.00 0.00 N ATOM 0 H LYS A 33 40.271 33.524 12.806 1.00 0.00 H new ATOM 0 HA LYS A 33 40.940 36.233 12.095 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.220 34.858 12.473 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.467 36.399 11.676 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.765 35.352 9.882 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.815 33.822 10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.281 33.715 10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.287 35.195 9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.704 32.600 8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.184 33.164 8.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 38.799 33.911 6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.464 35.292 7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.873 34.392 7.937 1.00 0.00 H new ATOM 541 N GLU A 34 39.332 35.690 14.946 1.00 0.00 N ATOM 542 CA GLU A 34 38.927 36.350 16.199 1.00 0.00 C ATOM 543 C GLU A 34 39.927 36.150 17.337 1.00 0.00 C ATOM 544 O GLU A 34 39.735 36.690 18.427 1.00 0.00 O ATOM 545 CB GLU A 34 37.559 35.818 16.641 1.00 0.00 C ATOM 546 CG GLU A 34 36.538 36.008 15.518 1.00 0.00 C ATOM 547 CD GLU A 34 36.311 37.494 15.264 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.023 38.051 14.445 1.00 0.00 O ATOM 549 OE2 GLU A 34 35.426 38.054 15.891 1.00 0.00 O ATOM 0 H GLU A 34 39.140 34.689 14.911 1.00 0.00 H new ATOM 0 HA GLU A 34 38.884 37.419 15.989 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.636 34.762 16.899 1.00 0.00 H new ATOM 0 HB3 GLU A 34 37.228 36.342 17.538 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.893 35.525 14.607 1.00 0.00 H new ATOM 0 HG3 GLU A 34 35.597 35.529 15.787 1.00 0.00 H new ATOM 556 N GLY A 35 41.011 35.431 17.089 1.00 0.00 N ATOM 557 CA GLY A 35 42.026 35.238 18.119 1.00 0.00 C ATOM 558 C GLY A 35 41.459 34.638 19.411 1.00 0.00 C ATOM 559 O GLY A 35 41.998 34.876 20.492 1.00 0.00 O ATOM 0 H GLY A 35 41.211 34.977 16.198 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.808 34.584 17.733 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.494 36.196 18.344 1.00 0.00 H new ATOM 563 N ILE A 36 40.378 33.860 19.305 1.00 0.00 N ATOM 564 CA ILE A 36 39.767 33.236 20.478 1.00 0.00 C ATOM 565 C ILE A 36 40.197 31.763 20.593 1.00 0.00 C ATOM 566 O ILE A 36 40.125 31.030 19.607 1.00 0.00 O ATOM 567 CB ILE A 36 38.255 33.307 20.336 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.870 34.752 20.036 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.600 32.854 21.639 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.359 34.875 19.947 1.00 0.00 C ATOM 0 H ILE A 36 39.911 33.649 18.423 1.00 0.00 H new ATOM 0 HA ILE A 36 40.092 33.764 21.374 1.00 0.00 H new ATOM 0 HB ILE A 36 37.918 32.657 19.529 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.252 35.409 20.817 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.326 35.072 19.099 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.516 32.905 21.538 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.897 31.828 21.858 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.919 33.505 22.452 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.090 35.909 19.733 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.988 34.231 19.150 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.913 34.573 20.895 1.00 0.00 H new ATOM 582 N PRO A 37 40.631 31.302 21.756 1.00 0.00 N ATOM 583 CA PRO A 37 41.053 29.881 21.936 1.00 0.00 C ATOM 584 C PRO A 37 39.843 28.922 22.007 1.00 0.00 C ATOM 585 O PRO A 37 38.947 29.116 22.837 1.00 0.00 O ATOM 586 CB PRO A 37 41.825 29.895 23.258 1.00 0.00 C ATOM 587 CG PRO A 37 41.216 31.012 24.036 1.00 0.00 C ATOM 588 CD PRO A 37 40.772 32.063 23.012 1.00 0.00 C ATOM 0 HA PRO A 37 41.649 29.520 21.098 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.727 28.946 23.784 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.890 30.060 23.094 1.00 0.00 H new ATOM 0 HG2 PRO A 37 40.368 30.659 24.623 1.00 0.00 H new ATOM 0 HG3 PRO A 37 41.936 31.434 24.738 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.831 32.531 23.303 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.508 32.861 22.915 1.00 0.00 H new ATOM 596 N PRO A 38 39.794 27.902 21.172 1.00 0.00 N ATOM 597 CA PRO A 38 38.670 26.922 21.171 1.00 0.00 C ATOM 598 C PRO A 38 38.227 26.520 22.581 1.00 0.00 C ATOM 599 O PRO A 38 37.113 26.033 22.773 1.00 0.00 O ATOM 600 CB PRO A 38 39.243 25.728 20.412 1.00 0.00 C ATOM 601 CG PRO A 38 40.213 26.327 19.450 1.00 0.00 C ATOM 602 CD PRO A 38 40.786 27.570 20.131 1.00 0.00 C ATOM 0 HA PRO A 38 37.770 27.337 20.717 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.735 25.028 21.087 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.460 25.175 19.893 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.005 25.619 19.205 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.720 26.590 18.514 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.766 27.371 20.564 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.911 28.390 19.424 1.00 0.00 H new ATOM 610 N ASP A 39 39.103 26.722 23.562 1.00 0.00 N ATOM 611 CA ASP A 39 38.780 26.366 24.940 1.00 0.00 C ATOM 612 C ASP A 39 37.754 27.325 25.530 1.00 0.00 C ATOM 613 O ASP A 39 36.813 26.904 26.203 1.00 0.00 O ATOM 614 CB ASP A 39 40.046 26.386 25.799 1.00 0.00 C ATOM 615 CG ASP A 39 40.973 25.247 25.389 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.588 24.479 24.523 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.053 25.158 25.949 1.00 0.00 O ATOM 0 H ASP A 39 40.031 27.125 23.431 1.00 0.00 H new ATOM 0 HA ASP A 39 38.355 25.362 24.935 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.558 27.341 25.685 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.782 26.290 26.852 1.00 0.00 H new ATOM 622 N GLN A 40 37.944 28.615 25.283 1.00 0.00 N ATOM 623 CA GLN A 40 37.033 29.628 25.807 1.00 0.00 C ATOM 624 C GLN A 40 35.823 29.812 24.899 1.00 0.00 C ATOM 625 O GLN A 40 34.832 30.418 25.309 1.00 0.00 O ATOM 626 CB GLN A 40 37.756 30.966 25.947 1.00 0.00 C ATOM 627 CG GLN A 40 38.920 30.809 26.925 1.00 0.00 C ATOM 628 CD GLN A 40 39.757 32.085 26.952 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.216 33.185 26.838 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.050 32.003 27.099 1.00 0.00 N ATOM 0 H GLN A 40 38.715 28.984 24.727 1.00 0.00 H new ATOM 0 HA GLN A 40 36.690 29.286 26.783 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.124 31.298 24.976 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.066 31.730 26.304 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.540 30.593 27.923 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.541 29.963 26.630 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.496 31.090 27.193 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.616 32.851 27.120 1.00 0.00 H new ATOM 639 N GLN A 41 35.892 29.299 23.663 1.00 0.00 N ATOM 640 CA GLN A 41 34.787 29.434 22.722 1.00 0.00 C ATOM 641 C GLN A 41 33.850 28.230 22.783 1.00 0.00 C ATOM 642 O GLN A 41 34.288 27.078 22.781 1.00 0.00 O ATOM 643 CB GLN A 41 35.349 29.577 21.303 1.00 0.00 C ATOM 644 CG GLN A 41 34.211 29.509 20.282 1.00 0.00 C ATOM 645 CD GLN A 41 34.716 29.923 18.907 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.140 31.141 18.718 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 34.728 29.113 17.980 1.00 0.00 N flip ATOM 0 H GLN A 41 36.698 28.791 23.299 1.00 0.00 H new ATOM 0 HA GLN A 41 34.212 30.320 22.992 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.880 30.524 21.206 1.00 0.00 H new ATOM 0 HB3 GLN A 41 36.072 28.785 21.108 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.809 28.497 20.241 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.396 30.163 20.591 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.396 28.161 18.131 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.070 29.394 17.061 1.00 0.00 H new ATOM 656 N ARG A 42 32.552 28.523 22.794 1.00 0.00 N ATOM 657 CA ARG A 42 31.512 27.500 22.815 1.00 0.00 C ATOM 658 C ARG A 42 30.558 27.773 21.660 1.00 0.00 C ATOM 659 O ARG A 42 30.024 28.877 21.543 1.00 0.00 O ATOM 660 CB ARG A 42 30.742 27.564 24.140 1.00 0.00 C ATOM 661 CG ARG A 42 31.705 27.350 25.331 1.00 0.00 C ATOM 662 CD ARG A 42 30.978 26.624 26.468 1.00 0.00 C ATOM 663 NE ARG A 42 29.815 27.392 26.901 1.00 0.00 N ATOM 664 CZ ARG A 42 29.004 26.938 27.853 1.00 0.00 C ATOM 665 NH1 ARG A 42 27.975 27.648 28.228 1.00 0.00 N ATOM 666 NH2 ARG A 42 29.236 25.781 28.412 1.00 0.00 N ATOM 0 H ARG A 42 32.192 29.477 22.789 1.00 0.00 H new ATOM 0 HA ARG A 42 31.958 26.510 22.717 1.00 0.00 H new ATOM 0 HB2 ARG A 42 30.246 28.530 24.234 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.962 26.802 24.153 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.569 26.768 25.011 1.00 0.00 H new ATOM 0 HG3 ARG A 42 32.080 28.311 25.683 1.00 0.00 H new ATOM 0 HD2 ARG A 42 30.665 25.635 26.135 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.658 26.477 27.307 1.00 0.00 H new ATOM 0 HE ARG A 42 29.620 28.294 26.466 1.00 0.00 H new ATOM 0 HH11 ARG A 42 27.792 28.551 27.791 1.00 0.00 H new ATOM 0 HH12 ARG A 42 27.354 27.299 28.958 1.00 0.00 H new ATOM 0 HH21 ARG A 42 30.039 25.225 28.119 1.00 0.00 H new ATOM 0 HH22 ARG A 42 28.614 25.433 29.142 1.00 0.00 H new ATOM 680 N LEU A 43 30.354 26.787 20.792 1.00 0.00 N ATOM 681 CA LEU A 43 29.466 26.975 19.643 1.00 0.00 C ATOM 682 C LEU A 43 28.073 26.437 19.925 1.00 0.00 C ATOM 683 O LEU A 43 27.893 25.252 20.209 1.00 0.00 O ATOM 684 CB LEU A 43 30.038 26.268 18.422 1.00 0.00 C ATOM 685 CG LEU A 43 31.477 26.707 18.149 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.891 26.190 16.775 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.583 28.232 18.166 1.00 0.00 C ATOM 0 H LEU A 43 30.782 25.863 20.857 1.00 0.00 H new ATOM 0 HA LEU A 43 29.392 28.046 19.453 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.008 25.189 18.576 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.419 26.483 17.551 1.00 0.00 H new ATOM 0 HG LEU A 43 32.130 26.303 18.923 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.916 26.495 16.565 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.826 25.102 16.761 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.227 26.603 16.016 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.614 28.527 17.970 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.933 28.650 17.397 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.278 28.607 19.143 1.00 0.00 H new ATOM 699 N ILE A 44 27.087 27.328 19.847 1.00 0.00 N ATOM 700 CA ILE A 44 25.689 26.963 20.103 1.00 0.00 C ATOM 701 C ILE A 44 24.824 27.136 18.853 1.00 0.00 C ATOM 702 O ILE A 44 24.768 28.218 18.262 1.00 0.00 O ATOM 703 CB ILE A 44 25.122 27.850 21.218 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.030 27.795 22.459 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.715 27.377 21.591 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.266 26.342 22.890 1.00 0.00 C ATOM 0 H ILE A 44 27.227 28.310 19.609 1.00 0.00 H new ATOM 0 HA ILE A 44 25.669 25.914 20.398 1.00 0.00 H new ATOM 0 HB ILE A 44 25.077 28.878 20.858 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.984 28.275 22.240 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.573 28.353 23.276 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.316 28.010 22.384 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.067 27.438 20.717 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.758 26.345 21.939 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.910 26.323 23.769 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.311 25.874 23.130 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.744 25.795 22.078 1.00 0.00 H new ATOM 718 N PHE A 45 24.135 26.059 18.471 1.00 0.00 N ATOM 719 CA PHE A 45 23.249 26.076 17.307 1.00 0.00 C ATOM 720 C PHE A 45 21.967 25.316 17.628 1.00 0.00 C ATOM 721 O PHE A 45 22.012 24.165 18.055 1.00 0.00 O ATOM 722 CB PHE A 45 23.939 25.417 16.114 1.00 0.00 C ATOM 723 CG PHE A 45 23.033 25.457 14.908 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.152 26.490 13.971 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.084 24.449 14.723 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.317 26.513 12.846 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.246 24.472 13.601 1.00 0.00 C ATOM 728 CZ PHE A 45 21.364 25.503 12.661 1.00 0.00 C ATOM 0 H PHE A 45 24.174 25.161 18.953 1.00 0.00 H new ATOM 0 HA PHE A 45 23.011 27.111 17.059 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.874 25.932 15.894 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.193 24.385 16.355 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.887 27.268 14.115 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.996 23.651 15.446 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.408 27.309 12.122 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.509 23.695 13.461 1.00 0.00 H new ATOM 0 HZ PHE A 45 20.721 25.520 11.794 1.00 0.00 H new ATOM 738 N ALA A 46 20.828 25.969 17.433 1.00 0.00 N ATOM 739 CA ALA A 46 19.542 25.340 17.714 1.00 0.00 C ATOM 740 C ALA A 46 19.519 24.749 19.125 1.00 0.00 C ATOM 741 O ALA A 46 18.964 23.673 19.348 1.00 0.00 O ATOM 742 CB ALA A 46 19.272 24.236 16.692 1.00 0.00 C ATOM 0 H ALA A 46 20.767 26.926 17.084 1.00 0.00 H new ATOM 0 HA ALA A 46 18.766 26.102 17.645 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.311 23.769 16.906 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.252 24.665 15.690 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.060 23.486 16.750 1.00 0.00 H new ATOM 748 N GLY A 47 20.113 25.467 20.074 1.00 0.00 N ATOM 749 CA GLY A 47 20.143 25.016 21.464 1.00 0.00 C ATOM 750 C GLY A 47 20.959 23.732 21.637 1.00 0.00 C ATOM 751 O GLY A 47 20.835 23.049 22.653 1.00 0.00 O ATOM 0 H GLY A 47 20.578 26.359 19.908 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.567 25.801 22.090 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.124 24.847 21.811 1.00 0.00 H new ATOM 755 N LYS A 48 21.806 23.412 20.655 1.00 0.00 N ATOM 756 CA LYS A 48 22.648 22.208 20.726 1.00 0.00 C ATOM 757 C LYS A 48 24.119 22.572 20.575 1.00 0.00 C ATOM 758 O LYS A 48 24.497 23.255 19.622 1.00 0.00 O ATOM 759 CB LYS A 48 22.271 21.236 19.614 1.00 0.00 C ATOM 760 CG LYS A 48 20.807 20.814 19.760 1.00 0.00 C ATOM 761 CD LYS A 48 20.415 19.916 18.583 1.00 0.00 C ATOM 762 CE LYS A 48 18.950 19.500 18.723 1.00 0.00 C ATOM 763 NZ LYS A 48 18.567 18.645 17.565 1.00 0.00 N ATOM 0 H LYS A 48 21.929 23.963 19.806 1.00 0.00 H new ATOM 0 HA LYS A 48 22.486 21.743 21.698 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.428 21.704 18.642 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.916 20.358 19.653 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.663 20.283 20.701 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.165 21.694 19.789 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.565 20.446 17.642 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.054 19.033 18.557 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.802 18.956 19.656 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.312 20.383 18.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.571 18.361 17.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.694 19.180 16.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.169 17.797 17.546 1.00 0.00 H new ATOM 777 N GLN A 49 24.959 22.106 21.497 1.00 0.00 N ATOM 778 CA GLN A 49 26.382 22.387 21.416 1.00 0.00 C ATOM 779 C GLN A 49 27.036 21.487 20.379 1.00 0.00 C ATOM 780 O GLN A 49 26.808 20.278 20.361 1.00 0.00 O ATOM 781 CB GLN A 49 27.044 22.167 22.774 1.00 0.00 C ATOM 782 CG GLN A 49 28.442 22.788 22.760 1.00 0.00 C ATOM 783 CD GLN A 49 29.136 22.542 24.095 1.00 0.00 C ATOM 784 OE1 GLN A 49 29.225 23.447 24.926 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.635 21.365 24.354 1.00 0.00 N ATOM 0 H GLN A 49 24.679 21.539 22.298 1.00 0.00 H new ATOM 0 HA GLN A 49 26.512 23.428 21.121 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.441 22.617 23.563 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.109 21.101 22.992 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.031 22.359 21.950 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.371 23.859 22.570 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.561 20.617 23.665 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.100 21.193 25.246 1.00 0.00 H new ATOM 794 N LEU A 50 27.825 22.081 19.500 1.00 0.00 N ATOM 795 CA LEU A 50 28.473 21.314 18.447 1.00 0.00 C ATOM 796 C LEU A 50 29.504 20.355 19.038 1.00 0.00 C ATOM 797 O LEU A 50 30.299 20.731 19.900 1.00 0.00 O ATOM 798 CB LEU A 50 29.136 22.266 17.449 1.00 0.00 C ATOM 799 CG LEU A 50 28.070 22.870 16.524 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.006 23.604 17.347 1.00 0.00 C ATOM 801 CD2 LEU A 50 28.731 23.859 15.564 1.00 0.00 C ATOM 0 H LEU A 50 28.032 23.080 19.492 1.00 0.00 H new ATOM 0 HA LEU A 50 27.720 20.722 17.926 1.00 0.00 H new ATOM 0 HB2 LEU A 50 29.661 23.059 17.982 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.881 21.730 16.860 1.00 0.00 H new ATOM 0 HG LEU A 50 27.595 22.066 15.962 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.257 24.027 16.678 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.527 22.903 18.031 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.476 24.405 17.918 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.975 24.289 14.907 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.210 24.655 16.134 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.480 23.340 14.965 1.00 0.00 H new ATOM 813 N GLU A 51 29.466 19.104 18.571 1.00 0.00 N ATOM 814 CA GLU A 51 30.368 18.077 19.046 1.00 0.00 C ATOM 815 C GLU A 51 31.810 18.349 18.618 1.00 0.00 C ATOM 816 O GLU A 51 32.063 18.984 17.597 1.00 0.00 O ATOM 817 CB GLU A 51 29.913 16.723 18.502 1.00 0.00 C ATOM 818 CG GLU A 51 30.528 15.605 19.329 1.00 0.00 C ATOM 819 CD GLU A 51 29.878 15.548 20.707 1.00 0.00 C ATOM 820 OE1 GLU A 51 28.812 16.122 20.860 1.00 0.00 O ATOM 821 OE2 GLU A 51 30.457 14.937 21.590 1.00 0.00 O ATOM 0 H GLU A 51 28.810 18.786 17.858 1.00 0.00 H new ATOM 0 HA GLU A 51 30.343 18.075 20.136 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.826 16.655 18.533 1.00 0.00 H new ATOM 0 HB3 GLU A 51 30.210 16.621 17.458 1.00 0.00 H new ATOM 0 HG2 GLU A 51 30.397 14.651 18.818 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.601 15.767 19.432 1.00 0.00 H new ATOM 828 N ASP A 52 32.747 17.872 19.428 1.00 0.00 N ATOM 829 CA ASP A 52 34.163 18.067 19.163 1.00 0.00 C ATOM 830 C ASP A 52 34.725 17.031 18.178 1.00 0.00 C ATOM 831 O ASP A 52 35.853 16.569 18.356 1.00 0.00 O ATOM 832 CB ASP A 52 34.950 17.977 20.473 1.00 0.00 C ATOM 833 CG ASP A 52 36.410 18.349 20.229 1.00 0.00 C ATOM 834 OD1 ASP A 52 36.655 19.480 19.843 1.00 0.00 O ATOM 835 OD2 ASP A 52 37.260 17.497 20.430 1.00 0.00 O ATOM 0 H ASP A 52 32.548 17.345 20.278 1.00 0.00 H new ATOM 0 HA ASP A 52 34.270 19.053 18.712 1.00 0.00 H new ATOM 0 HB2 ASP A 52 34.515 18.646 21.216 1.00 0.00 H new ATOM 0 HB3 ASP A 52 34.886 16.967 20.877 1.00 0.00 H new ATOM 840 N GLY A 53 33.968 16.666 17.134 1.00 0.00 N ATOM 841 CA GLY A 53 34.488 15.683 16.174 1.00 0.00 C ATOM 842 C GLY A 53 33.488 15.307 15.073 1.00 0.00 C ATOM 843 O GLY A 53 33.673 14.293 14.399 1.00 0.00 O ATOM 0 H GLY A 53 33.032 17.019 16.937 1.00 0.00 H new ATOM 0 HA2 GLY A 53 35.391 16.082 15.712 1.00 0.00 H new ATOM 0 HA3 GLY A 53 34.778 14.781 16.713 1.00 0.00 H new ATOM 847 N ARG A 54 32.442 16.112 14.873 1.00 0.00 N ATOM 848 CA ARG A 54 31.447 15.815 13.825 1.00 0.00 C ATOM 849 C ARG A 54 31.640 16.726 12.611 1.00 0.00 C ATOM 850 O ARG A 54 32.445 17.659 12.633 1.00 0.00 O ATOM 851 CB ARG A 54 30.020 15.989 14.386 1.00 0.00 C ATOM 852 CG ARG A 54 29.509 14.659 14.973 1.00 0.00 C ATOM 853 CD ARG A 54 30.563 14.035 15.904 1.00 0.00 C ATOM 854 NE ARG A 54 29.912 13.221 16.922 1.00 0.00 N ATOM 855 CZ ARG A 54 30.590 12.305 17.605 1.00 0.00 C ATOM 856 NH1 ARG A 54 29.987 11.593 18.516 1.00 0.00 N ATOM 857 NH2 ARG A 54 31.858 12.113 17.359 1.00 0.00 N ATOM 0 H ARG A 54 32.258 16.960 15.409 1.00 0.00 H new ATOM 0 HA ARG A 54 31.588 14.782 13.507 1.00 0.00 H new ATOM 0 HB2 ARG A 54 30.017 16.759 15.157 1.00 0.00 H new ATOM 0 HB3 ARG A 54 29.350 16.326 13.595 1.00 0.00 H new ATOM 0 HG2 ARG A 54 28.585 14.831 15.525 1.00 0.00 H new ATOM 0 HG3 ARG A 54 29.274 13.966 14.165 1.00 0.00 H new ATOM 0 HD2 ARG A 54 31.254 13.423 15.325 1.00 0.00 H new ATOM 0 HD3 ARG A 54 31.152 14.820 16.377 1.00 0.00 H new ATOM 0 HE ARG A 54 28.919 13.357 17.114 1.00 0.00 H new ATOM 0 HH11 ARG A 54 28.995 11.739 18.704 1.00 0.00 H new ATOM 0 HH12 ARG A 54 30.507 10.890 19.041 1.00 0.00 H new ATOM 0 HH21 ARG A 54 32.328 12.666 16.642 1.00 0.00 H new ATOM 0 HH22 ARG A 54 32.378 11.410 17.883 1.00 0.00 H new ATOM 871 N THR A 55 30.879 16.432 11.554 1.00 0.00 N ATOM 872 CA THR A 55 30.929 17.210 10.314 1.00 0.00 C ATOM 873 C THR A 55 29.676 18.064 10.179 1.00 0.00 C ATOM 874 O THR A 55 28.594 17.691 10.655 1.00 0.00 O ATOM 875 CB THR A 55 31.042 16.272 9.109 1.00 0.00 C ATOM 876 OG1 THR A 55 30.020 15.288 9.182 1.00 0.00 O ATOM 877 CG2 THR A 55 32.413 15.588 9.113 1.00 0.00 C ATOM 0 H THR A 55 30.217 15.656 11.533 1.00 0.00 H new ATOM 0 HA THR A 55 31.803 17.860 10.346 1.00 0.00 H new ATOM 0 HB THR A 55 30.931 16.847 8.190 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.089 14.687 8.411 1.00 0.00 H new ATOM 0 HG21 THR A 55 32.490 14.921 8.254 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.197 16.343 9.057 1.00 0.00 H new ATOM 0 HG23 THR A 55 32.529 15.012 10.031 1.00 0.00 H new ATOM 885 N LEU A 56 29.803 19.203 9.504 1.00 0.00 N ATOM 886 CA LEU A 56 28.651 20.058 9.310 1.00 0.00 C ATOM 887 C LEU A 56 27.539 19.253 8.645 1.00 0.00 C ATOM 888 O LEU A 56 26.366 19.460 8.938 1.00 0.00 O ATOM 889 CB LEU A 56 29.030 21.269 8.451 1.00 0.00 C ATOM 890 CG LEU A 56 29.743 22.322 9.314 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.085 21.770 9.812 1.00 0.00 C ATOM 892 CD2 LEU A 56 29.991 23.569 8.467 1.00 0.00 C ATOM 0 H LEU A 56 30.672 19.544 9.094 1.00 0.00 H new ATOM 0 HA LEU A 56 28.300 20.425 10.274 1.00 0.00 H new ATOM 0 HB2 LEU A 56 29.679 20.956 7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.136 21.700 8.001 1.00 0.00 H new ATOM 0 HG LEU A 56 29.120 22.570 10.174 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.584 22.522 10.423 1.00 0.00 H new ATOM 0 HD12 LEU A 56 30.911 20.875 10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 56 31.715 21.520 8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.497 24.323 9.070 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.615 23.310 7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.039 23.965 8.115 1.00 0.00 H new ATOM 904 N SER A 57 27.905 18.346 7.731 1.00 0.00 N ATOM 905 CA SER A 57 26.914 17.536 7.027 1.00 0.00 C ATOM 906 C SER A 57 25.883 16.963 7.994 1.00 0.00 C ATOM 907 O SER A 57 24.684 16.916 7.687 1.00 0.00 O ATOM 908 CB SER A 57 27.611 16.395 6.288 1.00 0.00 C ATOM 909 OG SER A 57 26.638 15.610 5.613 1.00 0.00 O ATOM 0 H SER A 57 28.872 18.158 7.466 1.00 0.00 H new ATOM 0 HA SER A 57 26.396 18.177 6.314 1.00 0.00 H new ATOM 0 HB2 SER A 57 28.331 16.795 5.574 1.00 0.00 H new ATOM 0 HB3 SER A 57 28.169 15.777 6.992 1.00 0.00 H new ATOM 0 HG SER A 57 27.082 14.878 5.136 1.00 0.00 H new ATOM 915 N ASP A 58 26.342 16.557 9.174 1.00 0.00 N ATOM 916 CA ASP A 58 25.430 16.027 10.175 1.00 0.00 C ATOM 917 C ASP A 58 24.464 17.129 10.569 1.00 0.00 C ATOM 918 O ASP A 58 23.278 16.893 10.806 1.00 0.00 O ATOM 919 CB ASP A 58 26.204 15.540 11.405 1.00 0.00 C ATOM 920 CG ASP A 58 26.923 14.229 11.093 1.00 0.00 C ATOM 921 OD1 ASP A 58 26.678 13.677 10.034 1.00 0.00 O ATOM 922 OD2 ASP A 58 27.706 13.796 11.922 1.00 0.00 O ATOM 0 H ASP A 58 27.322 16.585 9.455 1.00 0.00 H new ATOM 0 HA ASP A 58 24.885 15.177 9.764 1.00 0.00 H new ATOM 0 HB2 ASP A 58 26.927 16.296 11.711 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.519 15.397 12.241 1.00 0.00 H new ATOM 927 N TYR A 59 25.000 18.345 10.623 1.00 0.00 N ATOM 928 CA TYR A 59 24.209 19.520 10.977 1.00 0.00 C ATOM 929 C TYR A 59 23.518 20.120 9.742 1.00 0.00 C ATOM 930 O TYR A 59 22.753 21.077 9.861 1.00 0.00 O ATOM 931 CB TYR A 59 25.124 20.568 11.612 1.00 0.00 C ATOM 932 CG TYR A 59 25.546 20.110 12.992 1.00 0.00 C ATOM 933 CD1 TYR A 59 26.818 19.559 13.188 1.00 0.00 C ATOM 934 CD2 TYR A 59 24.666 20.239 14.075 1.00 0.00 C ATOM 935 CE1 TYR A 59 27.210 19.136 14.464 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.058 19.816 15.351 1.00 0.00 C ATOM 937 CZ TYR A 59 26.330 19.265 15.545 1.00 0.00 C ATOM 938 OH TYR A 59 26.718 18.848 16.803 1.00 0.00 O ATOM 0 H TYR A 59 25.981 18.543 10.426 1.00 0.00 H new ATOM 0 HA TYR A 59 23.436 19.217 11.683 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.003 20.725 10.986 1.00 0.00 H new ATOM 0 HB3 TYR A 59 24.606 21.525 11.679 1.00 0.00 H new ATOM 0 HD1 TYR A 59 27.497 19.460 12.354 1.00 0.00 H new ATOM 0 HD2 TYR A 59 23.685 20.665 13.925 1.00 0.00 H new ATOM 0 HE1 TYR A 59 28.191 18.710 14.614 1.00 0.00 H new ATOM 0 HE2 TYR A 59 24.379 19.915 16.185 1.00 0.00 H new ATOM 0 HH TYR A 59 25.991 19.009 17.440 1.00 0.00 H new ATOM 948 N ASN A 60 23.783 19.559 8.556 1.00 0.00 N ATOM 949 CA ASN A 60 23.164 20.069 7.327 1.00 0.00 C ATOM 950 C ASN A 60 21.768 19.486 7.151 1.00 0.00 C ATOM 951 O ASN A 60 20.851 20.173 6.715 1.00 0.00 O ATOM 952 CB ASN A 60 24.019 19.724 6.106 1.00 0.00 C ATOM 953 CG ASN A 60 23.327 20.214 4.836 1.00 0.00 C ATOM 954 OD1 ASN A 60 22.666 19.436 4.149 1.00 0.00 O ATOM 955 ND2 ASN A 60 23.438 21.467 4.482 1.00 0.00 N ATOM 0 H ASN A 60 24.410 18.766 8.422 1.00 0.00 H new ATOM 0 HA ASN A 60 23.091 21.153 7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.002 20.186 6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.176 18.647 6.053 1.00 0.00 H new ATOM 0 HD21 ASN A 60 22.977 21.801 3.636 1.00 0.00 H new ATOM 0 HD22 ASN A 60 23.986 22.111 5.052 1.00 0.00 H new ATOM 962 N ILE A 61 21.610 18.219 7.501 1.00 0.00 N ATOM 963 CA ILE A 61 20.301 17.577 7.385 1.00 0.00 C ATOM 964 C ILE A 61 19.327 18.255 8.342 1.00 0.00 C ATOM 965 O ILE A 61 18.226 18.651 7.960 1.00 0.00 O ATOM 966 CB ILE A 61 20.417 16.083 7.714 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.655 15.502 7.022 1.00 0.00 C ATOM 968 CG2 ILE A 61 19.170 15.346 7.227 1.00 0.00 C ATOM 969 CD1 ILE A 61 21.644 15.874 5.535 1.00 0.00 C ATOM 0 H ILE A 61 22.353 17.621 7.862 1.00 0.00 H new ATOM 0 HA ILE A 61 19.933 17.677 6.364 1.00 0.00 H new ATOM 0 HB ILE A 61 20.509 15.960 8.793 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.560 15.884 7.495 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.670 14.418 7.135 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.258 14.286 7.464 1.00 0.00 H new ATOM 0 HG22 ILE A 61 18.289 15.756 7.721 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.072 15.470 6.149 1.00 0.00 H new ATOM 0 HD11 ILE A 61 22.527 15.458 5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.747 15.470 5.066 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.650 16.959 5.431 1.00 0.00 H new ATOM 981 N GLN A 62 19.753 18.366 9.595 1.00 0.00 N ATOM 982 CA GLN A 62 18.934 18.983 10.628 1.00 0.00 C ATOM 983 C GLN A 62 18.867 20.494 10.409 1.00 0.00 C ATOM 984 O GLN A 62 19.032 21.271 11.350 1.00 0.00 O ATOM 985 CB GLN A 62 19.541 18.690 12.006 1.00 0.00 C ATOM 986 CG GLN A 62 19.350 17.210 12.353 1.00 0.00 C ATOM 987 CD GLN A 62 20.124 16.871 13.624 1.00 0.00 C ATOM 988 OE1 GLN A 62 21.187 17.439 13.874 1.00 0.00 O ATOM 989 NE2 GLN A 62 19.652 15.974 14.447 1.00 0.00 N ATOM 0 H GLN A 62 20.662 18.036 9.919 1.00 0.00 H new ATOM 0 HA GLN A 62 17.926 18.571 10.578 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.602 18.939 12.007 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.067 19.315 12.763 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.291 16.994 12.493 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.696 16.586 11.529 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.771 15.504 14.239 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.164 15.743 15.298 1.00 0.00 H new ATOM 998 N LYS A 63 18.621 20.911 9.160 1.00 0.00 N ATOM 999 CA LYS A 63 18.529 22.339 8.837 1.00 0.00 C ATOM 1000 C LYS A 63 17.207 22.941 9.329 1.00 0.00 C ATOM 1001 O LYS A 63 16.410 23.439 8.530 1.00 0.00 O ATOM 1002 CB LYS A 63 18.660 22.557 7.317 1.00 0.00 C ATOM 1003 CG LYS A 63 18.862 24.049 7.016 1.00 0.00 C ATOM 1004 CD LYS A 63 19.272 24.240 5.553 1.00 0.00 C ATOM 1005 CE LYS A 63 19.521 25.728 5.287 1.00 0.00 C ATOM 1006 NZ LYS A 63 19.807 25.934 3.839 1.00 0.00 N ATOM 0 H LYS A 63 18.484 20.287 8.365 1.00 0.00 H new ATOM 0 HA LYS A 63 19.349 22.843 9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.502 21.982 6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.766 22.193 6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 63 17.941 24.597 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.628 24.460 7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.172 23.665 5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.490 23.867 4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.649 26.312 5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.360 26.080 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.976 26.944 3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.651 25.389 3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.994 25.613 3.275 1.00 0.00 H new ATOM 1020 N GLU A 64 16.983 22.897 10.642 1.00 0.00 N ATOM 1021 CA GLU A 64 15.755 23.450 11.221 1.00 0.00 C ATOM 1022 C GLU A 64 15.609 24.915 10.820 1.00 0.00 C ATOM 1023 O GLU A 64 14.519 25.374 10.484 1.00 0.00 O ATOM 1024 CB GLU A 64 15.809 23.345 12.751 1.00 0.00 C ATOM 1025 CG GLU A 64 15.813 21.874 13.171 1.00 0.00 C ATOM 1026 CD GLU A 64 14.479 21.227 12.820 1.00 0.00 C ATOM 1027 OE1 GLU A 64 13.468 21.901 12.934 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.488 20.067 12.445 1.00 0.00 O ATOM 0 H GLU A 64 17.627 22.489 11.320 1.00 0.00 H new ATOM 0 HA GLU A 64 14.901 22.885 10.848 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.703 23.842 13.127 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.952 23.855 13.190 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.625 21.347 12.670 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.994 21.794 14.243 1.00 0.00 H new ATOM 1049 N THR A 66 18.432 28.482 9.475 1.00 0.00 N ATOM 1050 CA THR A 66 19.511 28.803 8.542 1.00 0.00 C ATOM 1051 C THR A 66 20.842 28.436 9.179 1.00 0.00 C ATOM 1052 O THR A 66 20.874 27.980 10.324 1.00 0.00 O ATOM 1053 CB THR A 66 19.485 30.303 8.203 1.00 0.00 C ATOM 1054 OG1 THR A 66 19.076 31.038 9.348 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.501 30.542 7.062 1.00 0.00 C ATOM 0 HA THR A 66 19.378 28.236 7.620 1.00 0.00 H new ATOM 0 HB THR A 66 20.480 30.630 7.901 1.00 0.00 H new ATOM 0 HG1 THR A 66 19.790 31.654 9.614 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.478 31.604 6.817 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.815 29.974 6.186 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.506 30.219 7.366 1.00 0.00 H new ATOM 1063 N LEU A 67 21.945 28.611 8.447 1.00 0.00 N ATOM 1064 CA LEU A 67 23.261 28.262 8.968 1.00 0.00 C ATOM 1065 C LEU A 67 23.798 29.363 9.875 1.00 0.00 C ATOM 1066 O LEU A 67 24.998 29.655 9.883 1.00 0.00 O ATOM 1067 CB LEU A 67 24.227 28.046 7.790 1.00 0.00 C ATOM 1068 CG LEU A 67 23.549 27.193 6.701 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.492 27.021 5.503 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.203 25.812 7.267 1.00 0.00 C ATOM 0 H LEU A 67 21.950 28.989 7.500 1.00 0.00 H new ATOM 0 HA LEU A 67 23.175 27.348 9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.528 29.008 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.134 27.552 8.139 1.00 0.00 H new ATOM 0 HG LEU A 67 22.639 27.698 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.003 26.417 4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.737 27.999 5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.406 26.525 5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.724 25.212 6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.115 25.316 7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.524 25.925 8.112 1.00 0.00 H new ATOM 1082 N HIS A 68 22.894 29.952 10.643 1.00 0.00 N ATOM 1083 CA HIS A 68 23.262 31.005 11.580 1.00 0.00 C ATOM 1084 C HIS A 68 23.803 30.364 12.846 1.00 0.00 C ATOM 1085 O HIS A 68 23.146 29.524 13.461 1.00 0.00 O ATOM 1086 CB HIS A 68 22.034 31.858 11.916 1.00 0.00 C ATOM 1087 CG HIS A 68 21.742 32.792 10.776 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.063 32.382 9.641 1.00 0.00 N ATOM 1089 CD2 HIS A 68 22.039 34.117 10.578 1.00 0.00 C ATOM 1090 CE1 HIS A 68 20.974 33.442 8.818 1.00 0.00 C ATOM 1091 NE2 HIS A 68 21.553 34.526 9.341 1.00 0.00 N ATOM 0 H HIS A 68 21.901 29.720 10.637 1.00 0.00 H new ATOM 0 HA HIS A 68 24.022 31.646 11.134 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.173 31.216 12.103 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.212 32.427 12.829 1.00 0.00 H new ATOM 0 HD2 HIS A 68 22.570 34.747 11.277 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.493 33.419 7.851 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.623 35.454 8.923 1.00 0.00 H new ATOM 1100 N LEU A 69 25.015 30.753 13.219 1.00 0.00 N ATOM 1101 CA LEU A 69 25.672 30.206 14.400 1.00 0.00 C ATOM 1102 C LEU A 69 25.849 31.282 15.459 1.00 0.00 C ATOM 1103 O LEU A 69 26.180 32.422 15.143 1.00 0.00 O ATOM 1104 CB LEU A 69 27.039 29.650 13.974 1.00 0.00 C ATOM 1105 CG LEU A 69 27.835 29.159 15.190 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.015 28.123 15.967 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.140 28.518 14.707 1.00 0.00 C ATOM 0 H LEU A 69 25.566 31.449 12.718 1.00 0.00 H new ATOM 0 HA LEU A 69 25.061 29.413 14.830 1.00 0.00 H new ATOM 0 HB2 LEU A 69 26.899 28.829 13.271 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.604 30.423 13.453 1.00 0.00 H new ATOM 0 HG LEU A 69 28.055 30.002 15.845 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.587 27.779 16.829 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.084 28.576 16.307 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.791 27.276 15.319 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.712 28.166 15.566 1.00 0.00 H new ATOM 0 HD22 LEU A 69 28.912 27.676 14.053 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.726 29.255 14.158 1.00 0.00 H new ATOM 1119 N VAL A 70 25.642 30.909 16.721 1.00 0.00 N ATOM 1120 CA VAL A 70 25.802 31.843 17.825 1.00 0.00 C ATOM 1121 C VAL A 70 27.121 31.578 18.529 1.00 0.00 C ATOM 1122 O VAL A 70 27.405 30.451 18.939 1.00 0.00 O ATOM 1123 CB VAL A 70 24.639 31.702 18.810 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.926 32.504 20.081 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.366 32.237 18.154 1.00 0.00 C ATOM 0 H VAL A 70 25.364 29.968 17.000 1.00 0.00 H new ATOM 0 HA VAL A 70 25.803 32.861 17.435 1.00 0.00 H new ATOM 0 HB VAL A 70 24.514 30.652 19.073 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.092 32.397 20.775 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.837 32.131 20.548 1.00 0.00 H new ATOM 0 HG13 VAL A 70 25.053 33.556 19.826 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.531 32.141 18.848 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.504 33.287 17.895 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.154 31.665 17.250 1.00 0.00 H new ATOM 1135 N LEU A 71 27.930 32.623 18.665 1.00 0.00 N ATOM 1136 CA LEU A 71 29.228 32.494 19.321 1.00 0.00 C ATOM 1137 C LEU A 71 29.130 32.849 20.800 1.00 0.00 C ATOM 1138 O LEU A 71 28.840 33.991 21.159 1.00 0.00 O ATOM 1139 CB LEU A 71 30.260 33.405 18.631 1.00 0.00 C ATOM 1140 CG LEU A 71 31.677 32.809 18.784 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.932 31.760 17.690 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.717 33.925 18.666 1.00 0.00 C ATOM 0 H LEU A 71 27.713 33.563 18.333 1.00 0.00 H new ATOM 0 HA LEU A 71 29.550 31.456 19.238 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.014 33.512 17.575 1.00 0.00 H new ATOM 0 HB3 LEU A 71 30.227 34.403 19.069 1.00 0.00 H new ATOM 0 HG LEU A 71 31.756 32.333 19.761 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.934 31.347 17.808 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.197 30.959 17.775 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.846 32.228 16.710 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.717 33.504 18.774 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.628 34.403 17.691 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.548 34.664 19.449 1.00 0.00 H new ATOM 1154 N ARG A 72 29.416 31.868 21.648 1.00 0.00 N ATOM 1155 CA ARG A 72 29.403 32.062 23.097 1.00 0.00 C ATOM 1156 C ARG A 72 30.838 32.037 23.621 1.00 0.00 C ATOM 1157 O ARG A 72 31.659 31.253 23.149 1.00 0.00 O ATOM 1158 CB ARG A 72 28.582 30.939 23.755 1.00 0.00 C ATOM 1159 CG ARG A 72 27.086 31.312 23.786 1.00 0.00 C ATOM 1160 CD ARG A 72 26.773 32.124 25.048 1.00 0.00 C ATOM 1161 NE ARG A 72 25.368 32.508 25.063 1.00 0.00 N ATOM 1162 CZ ARG A 72 24.916 33.419 25.917 1.00 0.00 C ATOM 1163 NH1 ARG A 72 23.654 33.749 25.911 1.00 0.00 N ATOM 1164 NH2 ARG A 72 25.735 33.982 26.763 1.00 0.00 N ATOM 0 H ARG A 72 29.662 30.922 21.356 1.00 0.00 H new ATOM 0 HA ARG A 72 28.949 33.023 23.338 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.720 30.009 23.204 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.941 30.765 24.769 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.829 31.890 22.899 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.477 30.408 23.765 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.006 31.535 25.935 1.00 0.00 H new ATOM 0 HD3 ARG A 72 27.401 33.014 25.082 1.00 0.00 H new ATOM 0 HE ARG A 72 24.721 32.070 24.407 1.00 0.00 H new ATOM 0 HH11 ARG A 72 23.014 33.307 25.250 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.307 34.449 26.567 1.00 0.00 H new ATOM 0 HH21 ARG A 72 26.721 33.722 26.768 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.389 34.682 27.419 1.00 0.00 H new