USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 6 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.124) USER MOD Set 1.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot 119:sc= -0.0316 USER MOD Set 2.2: A 9 THR OG1 : rot -140:sc= 0.0521 USER MOD Set 2.3: A 11 LYS NZ :NH3+ 169:sc= -0.0851 (180deg=-0.282) USER MOD Single : A 1 MET CE :methyl -151:sc= 0 (180deg=-0.587) USER MOD Single : A 1 MET N :NH3+ 142:sc= 1.02 (180deg=-0.0389) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot -77:sc= 0.286 USER MOD Single : A 20 SER OG : rot -24:sc= 1.06 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.419 USER MOD Single : A 25 ASN : amide:sc= -0.331 K(o=-0.33,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 0.0342 (180deg=0.00162) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -0.0476 (180deg=-0.489) USER MOD Single : A 31 GLN : amide:sc= -1.24 K(o=-1.2,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= -0.0471 (180deg=-0.682) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 41 GLN : amide:sc= -6.89! C(o=-6.9!,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= -0.032 (180deg=-0.327) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00674 USER MOD Single : A 57 SER OG : rot 29:sc= 0.0341 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.407 USER MOD Single : A 60 ASN : amide:sc= -0.0612 K(o=-0.061,f=-1) USER MOD Single : A 62 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -0.0555 (180deg=-0.575) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.365 30.336 2.360 1.00 0.00 N ATOM 2 CA MET A 1 32.368 31.724 2.902 1.00 0.00 C ATOM 3 C MET A 1 33.188 31.759 4.186 1.00 0.00 C ATOM 4 O MET A 1 33.481 30.717 4.774 1.00 0.00 O ATOM 5 CB MET A 1 30.930 32.167 3.185 1.00 0.00 C ATOM 6 CG MET A 1 30.276 31.206 4.183 1.00 0.00 C ATOM 7 SD MET A 1 28.519 31.617 4.348 1.00 0.00 S ATOM 8 CE MET A 1 28.334 31.205 6.102 1.00 0.00 C ATOM 0 H1 MET A 1 31.428 30.121 1.963 1.00 0.00 H new ATOM 0 H2 MET A 1 33.085 30.253 1.614 1.00 0.00 H new ATOM 0 H3 MET A 1 32.580 29.664 3.124 1.00 0.00 H new ATOM 0 HA MET A 1 32.810 32.404 2.174 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.925 33.181 3.586 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.357 32.188 2.258 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.390 30.177 3.842 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.770 31.278 5.152 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.309 30.888 6.295 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.018 30.397 6.360 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.563 32.082 6.708 1.00 0.00 H new ATOM 20 N GLN A 2 33.556 32.963 4.621 1.00 0.00 N ATOM 21 CA GLN A 2 34.344 33.133 5.838 1.00 0.00 C ATOM 22 C GLN A 2 33.543 33.887 6.895 1.00 0.00 C ATOM 23 O GLN A 2 32.628 34.647 6.574 1.00 0.00 O ATOM 24 CB GLN A 2 35.615 33.924 5.516 1.00 0.00 C ATOM 25 CG GLN A 2 36.550 33.075 4.651 1.00 0.00 C ATOM 26 CD GLN A 2 37.742 33.910 4.194 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.781 33.924 4.854 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.654 34.612 3.097 1.00 0.00 N ATOM 0 H GLN A 2 33.320 33.835 4.147 1.00 0.00 H new ATOM 0 HA GLN A 2 34.603 32.147 6.225 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.358 34.845 4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.119 34.211 6.439 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.897 32.211 5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.010 32.693 3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.792 34.599 2.551 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.447 35.173 2.786 1.00 0.00 H new ATOM 37 N ILE A 3 33.917 33.692 8.156 1.00 0.00 N ATOM 38 CA ILE A 3 33.256 34.382 9.264 1.00 0.00 C ATOM 39 C ILE A 3 34.201 34.492 10.449 1.00 0.00 C ATOM 40 O ILE A 3 35.286 33.907 10.451 1.00 0.00 O ATOM 41 CB ILE A 3 31.962 33.675 9.695 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.235 32.176 9.933 1.00 0.00 C ATOM 43 CG2 ILE A 3 30.884 33.868 8.616 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.921 31.386 9.910 1.00 0.00 C ATOM 0 H ILE A 3 34.671 33.065 8.438 1.00 0.00 H new ATOM 0 HA ILE A 3 32.988 35.378 8.913 1.00 0.00 H new ATOM 0 HB ILE A 3 31.604 34.110 10.628 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.909 31.796 9.166 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.734 32.038 10.892 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.967 33.366 8.924 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.688 34.932 8.484 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.232 33.443 7.674 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.129 30.329 10.079 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.260 31.756 10.694 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.439 31.510 8.940 1.00 0.00 H new ATOM 56 N PHE A 4 33.784 35.257 11.451 1.00 0.00 N ATOM 57 CA PHE A 4 34.598 35.460 12.649 1.00 0.00 C ATOM 58 C PHE A 4 33.954 34.786 13.852 1.00 0.00 C ATOM 59 O PHE A 4 32.737 34.850 14.032 1.00 0.00 O ATOM 60 CB PHE A 4 34.731 36.956 12.929 1.00 0.00 C ATOM 61 CG PHE A 4 35.195 37.672 11.683 1.00 0.00 C ATOM 62 CD1 PHE A 4 34.260 38.095 10.731 1.00 0.00 C ATOM 63 CD2 PHE A 4 36.558 37.921 11.484 1.00 0.00 C ATOM 64 CE1 PHE A 4 34.687 38.767 9.579 1.00 0.00 C ATOM 65 CE2 PHE A 4 36.986 38.592 10.331 1.00 0.00 C ATOM 66 CZ PHE A 4 36.050 39.016 9.380 1.00 0.00 C ATOM 0 H PHE A 4 32.889 35.747 11.460 1.00 0.00 H new ATOM 0 HA PHE A 4 35.581 35.022 12.479 1.00 0.00 H new ATOM 0 HB2 PHE A 4 33.773 37.360 13.256 1.00 0.00 H new ATOM 0 HB3 PHE A 4 35.440 37.122 13.740 1.00 0.00 H new ATOM 0 HD1 PHE A 4 33.208 37.903 10.885 1.00 0.00 H new ATOM 0 HD2 PHE A 4 37.279 37.596 12.219 1.00 0.00 H new ATOM 0 HE1 PHE A 4 33.965 39.093 8.845 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.038 38.782 10.176 1.00 0.00 H new ATOM 0 HZ PHE A 4 36.380 39.535 8.492 1.00 0.00 H new ATOM 76 N VAL A 5 34.781 34.156 14.688 1.00 0.00 N ATOM 77 CA VAL A 5 34.295 33.487 15.892 1.00 0.00 C ATOM 78 C VAL A 5 34.879 34.173 17.114 1.00 0.00 C ATOM 79 O VAL A 5 36.090 34.376 17.215 1.00 0.00 O ATOM 80 CB VAL A 5 34.689 32.004 15.869 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.526 31.396 17.271 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.769 31.264 14.894 1.00 0.00 C ATOM 0 H VAL A 5 35.790 34.096 14.552 1.00 0.00 H new ATOM 0 HA VAL A 5 33.208 33.550 15.930 1.00 0.00 H new ATOM 0 HB VAL A 5 35.729 31.910 15.556 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.808 30.343 17.246 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.167 31.927 17.975 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.487 31.486 17.588 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.039 30.208 14.869 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.734 31.366 15.221 1.00 0.00 H new ATOM 0 HG23 VAL A 5 33.878 31.690 13.897 1.00 0.00 H new ATOM 92 N LYS A 6 33.996 34.538 18.027 1.00 0.00 N ATOM 93 CA LYS A 6 34.398 35.228 19.253 1.00 0.00 C ATOM 94 C LYS A 6 34.214 34.326 20.470 1.00 0.00 C ATOM 95 O LYS A 6 33.167 33.701 20.634 1.00 0.00 O ATOM 96 CB LYS A 6 33.533 36.479 19.421 1.00 0.00 C ATOM 97 CG LYS A 6 33.973 37.563 18.433 1.00 0.00 C ATOM 98 CD LYS A 6 33.290 38.881 18.804 1.00 0.00 C ATOM 99 CE LYS A 6 33.434 39.880 17.655 1.00 0.00 C ATOM 100 NZ LYS A 6 34.875 40.194 17.446 1.00 0.00 N ATOM 0 H LYS A 6 32.993 34.370 17.948 1.00 0.00 H new ATOM 0 HA LYS A 6 35.452 35.497 19.177 1.00 0.00 H new ATOM 0 HB2 LYS A 6 32.485 36.230 19.256 1.00 0.00 H new ATOM 0 HB3 LYS A 6 33.615 36.852 20.442 1.00 0.00 H new ATOM 0 HG2 LYS A 6 35.056 37.680 18.460 1.00 0.00 H new ATOM 0 HG3 LYS A 6 33.708 37.275 17.416 1.00 0.00 H new ATOM 0 HD2 LYS A 6 32.235 38.707 19.017 1.00 0.00 H new ATOM 0 HD3 LYS A 6 33.735 39.289 19.711 1.00 0.00 H new ATOM 0 HE2 LYS A 6 33.005 39.465 16.743 1.00 0.00 H new ATOM 0 HE3 LYS A 6 32.881 40.792 17.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 34.963 41.025 16.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 35.323 40.396 18.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 35.347 39.380 17.003 1.00 0.00 H new ATOM 114 N THR A 7 35.234 34.270 21.329 1.00 0.00 N ATOM 115 CA THR A 7 35.167 33.448 22.544 1.00 0.00 C ATOM 116 C THR A 7 35.014 34.339 23.774 1.00 0.00 C ATOM 117 O THR A 7 34.970 35.566 23.668 1.00 0.00 O ATOM 118 CB THR A 7 36.430 32.596 22.688 1.00 0.00 C ATOM 119 OG1 THR A 7 37.577 33.429 22.591 1.00 0.00 O ATOM 120 CG2 THR A 7 36.468 31.536 21.586 1.00 0.00 C ATOM 0 H THR A 7 36.110 34.779 21.210 1.00 0.00 H new ATOM 0 HA THR A 7 34.302 32.790 22.463 1.00 0.00 H new ATOM 0 HB THR A 7 36.423 32.101 23.659 1.00 0.00 H new ATOM 0 HG1 THR A 7 38.090 33.377 23.424 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.369 30.932 21.693 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.590 30.895 21.667 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.472 32.024 20.611 1.00 0.00 H new ATOM 128 N LEU A 8 34.955 33.722 24.948 1.00 0.00 N ATOM 129 CA LEU A 8 34.819 34.483 26.183 1.00 0.00 C ATOM 130 C LEU A 8 36.134 35.183 26.530 1.00 0.00 C ATOM 131 O LEU A 8 36.153 36.115 27.333 1.00 0.00 O ATOM 132 CB LEU A 8 34.405 33.551 27.335 1.00 0.00 C ATOM 133 CG LEU A 8 32.901 33.260 27.261 1.00 0.00 C ATOM 134 CD1 LEU A 8 32.566 32.602 25.919 1.00 0.00 C ATOM 135 CD2 LEU A 8 32.502 32.317 28.403 1.00 0.00 C ATOM 0 H LEU A 8 34.999 32.710 25.071 1.00 0.00 H new ATOM 0 HA LEU A 8 34.047 35.239 26.039 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.967 32.619 27.279 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.648 34.013 28.292 1.00 0.00 H new ATOM 0 HG LEU A 8 32.351 34.197 27.352 1.00 0.00 H new ATOM 0 HD11 LEU A 8 31.496 32.397 25.871 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.844 33.272 25.106 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.119 31.668 25.824 1.00 0.00 H new ATOM 0 HD21 LEU A 8 31.433 32.112 28.349 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.056 31.383 28.314 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.733 32.786 29.360 1.00 0.00 H new ATOM 147 N THR A 9 37.235 34.732 25.926 1.00 0.00 N ATOM 148 CA THR A 9 38.541 35.335 26.197 1.00 0.00 C ATOM 149 C THR A 9 38.788 36.535 25.288 1.00 0.00 C ATOM 150 O THR A 9 39.894 37.075 25.253 1.00 0.00 O ATOM 151 CB THR A 9 39.656 34.304 26.004 1.00 0.00 C ATOM 152 OG1 THR A 9 39.642 33.834 24.664 1.00 0.00 O ATOM 153 CG2 THR A 9 39.441 33.131 26.962 1.00 0.00 C ATOM 0 H THR A 9 37.250 33.963 25.256 1.00 0.00 H new ATOM 0 HA THR A 9 38.543 35.676 27.232 1.00 0.00 H new ATOM 0 HB THR A 9 40.619 34.769 26.214 1.00 0.00 H new ATOM 0 HG1 THR A 9 39.816 32.870 24.654 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.236 32.398 26.823 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.457 33.493 27.990 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.477 32.665 26.756 1.00 0.00 H new ATOM 161 N GLY A 10 37.755 36.962 24.564 1.00 0.00 N ATOM 162 CA GLY A 10 37.888 38.114 23.680 1.00 0.00 C ATOM 163 C GLY A 10 38.801 37.803 22.502 1.00 0.00 C ATOM 164 O GLY A 10 39.348 38.710 21.874 1.00 0.00 O ATOM 0 H GLY A 10 36.829 36.533 24.572 1.00 0.00 H new ATOM 0 HA2 GLY A 10 36.905 38.409 23.313 1.00 0.00 H new ATOM 0 HA3 GLY A 10 38.287 38.960 24.239 1.00 0.00 H new ATOM 168 N LYS A 11 38.951 36.519 22.197 1.00 0.00 N ATOM 169 CA LYS A 11 39.787 36.098 21.077 1.00 0.00 C ATOM 170 C LYS A 11 38.934 35.997 19.819 1.00 0.00 C ATOM 171 O LYS A 11 37.834 35.441 19.852 1.00 0.00 O ATOM 172 CB LYS A 11 40.425 34.736 21.367 1.00 0.00 C ATOM 173 CG LYS A 11 41.502 34.881 22.447 1.00 0.00 C ATOM 174 CD LYS A 11 42.181 33.526 22.671 1.00 0.00 C ATOM 175 CE LYS A 11 43.361 33.693 23.632 1.00 0.00 C ATOM 176 NZ LYS A 11 42.856 34.094 24.975 1.00 0.00 N ATOM 0 H LYS A 11 38.508 35.754 22.706 1.00 0.00 H new ATOM 0 HA LYS A 11 40.578 36.834 20.933 1.00 0.00 H new ATOM 0 HB2 LYS A 11 39.662 34.030 21.695 1.00 0.00 H new ATOM 0 HB3 LYS A 11 40.864 34.330 20.456 1.00 0.00 H new ATOM 0 HG2 LYS A 11 42.239 35.624 22.144 1.00 0.00 H new ATOM 0 HG3 LYS A 11 41.056 35.235 23.376 1.00 0.00 H new ATOM 0 HD2 LYS A 11 41.465 32.813 23.079 1.00 0.00 H new ATOM 0 HD3 LYS A 11 42.528 33.121 21.721 1.00 0.00 H new ATOM 0 HE2 LYS A 11 43.919 32.759 23.705 1.00 0.00 H new ATOM 0 HE3 LYS A 11 44.050 34.447 23.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 43.627 34.027 25.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 42.508 35.073 24.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 42.080 33.462 25.257 1.00 0.00 H new ATOM 190 N THR A 12 39.448 36.526 18.708 1.00 0.00 N ATOM 191 CA THR A 12 38.729 36.480 17.433 1.00 0.00 C ATOM 192 C THR A 12 39.537 35.693 16.418 1.00 0.00 C ATOM 193 O THR A 12 40.714 35.971 16.188 1.00 0.00 O ATOM 194 CB THR A 12 38.490 37.895 16.900 1.00 0.00 C ATOM 195 OG1 THR A 12 37.821 38.666 17.890 1.00 0.00 O ATOM 196 CG2 THR A 12 37.623 37.820 15.636 1.00 0.00 C ATOM 0 H THR A 12 40.356 36.990 18.664 1.00 0.00 H new ATOM 0 HA THR A 12 37.767 35.995 17.596 1.00 0.00 H new ATOM 0 HB THR A 12 39.445 38.363 16.660 1.00 0.00 H new ATOM 0 HG1 THR A 12 37.669 39.573 17.551 1.00 0.00 H new ATOM 0 HG21 THR A 12 37.450 38.826 15.253 1.00 0.00 H new ATOM 0 HG22 THR A 12 38.135 37.226 14.879 1.00 0.00 H new ATOM 0 HG23 THR A 12 36.667 37.355 15.877 1.00 0.00 H new ATOM 204 N ILE A 13 38.892 34.705 15.814 1.00 0.00 N ATOM 205 CA ILE A 13 39.546 33.865 14.814 1.00 0.00 C ATOM 206 C ILE A 13 38.654 33.714 13.597 1.00 0.00 C ATOM 207 O ILE A 13 37.434 33.607 13.718 1.00 0.00 O ATOM 208 CB ILE A 13 39.866 32.492 15.405 1.00 0.00 C ATOM 209 CG1 ILE A 13 40.719 31.700 14.412 1.00 0.00 C ATOM 210 CG2 ILE A 13 38.568 31.734 15.682 1.00 0.00 C ATOM 211 CD1 ILE A 13 41.243 30.433 15.087 1.00 0.00 C ATOM 0 H ILE A 13 37.918 34.464 15.997 1.00 0.00 H new ATOM 0 HA ILE A 13 40.478 34.342 14.511 1.00 0.00 H new ATOM 0 HB ILE A 13 40.414 32.618 16.339 1.00 0.00 H new ATOM 0 HG12 ILE A 13 40.127 31.439 13.535 1.00 0.00 H new ATOM 0 HG13 ILE A 13 41.552 32.311 14.064 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.801 30.756 16.103 1.00 0.00 H new ATOM 0 HG22 ILE A 13 37.961 32.299 16.390 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.016 31.606 14.751 1.00 0.00 H new ATOM 0 HD11 ILE A 13 41.851 29.869 14.380 1.00 0.00 H new ATOM 0 HD12 ILE A 13 41.850 30.705 15.950 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.403 29.820 15.413 1.00 0.00 H new ATOM 223 N THR A 14 39.268 33.710 12.423 1.00 0.00 N ATOM 224 CA THR A 14 38.518 33.576 11.177 1.00 0.00 C ATOM 225 C THR A 14 38.643 32.162 10.627 1.00 0.00 C ATOM 226 O THR A 14 39.707 31.543 10.691 1.00 0.00 O ATOM 227 CB THR A 14 39.028 34.587 10.148 1.00 0.00 C ATOM 228 OG1 THR A 14 39.181 35.852 10.777 1.00 0.00 O ATOM 229 CG2 THR A 14 38.012 34.705 9.006 1.00 0.00 C ATOM 0 H THR A 14 40.277 33.797 12.304 1.00 0.00 H new ATOM 0 HA THR A 14 37.466 33.776 11.382 1.00 0.00 H new ATOM 0 HB THR A 14 39.987 34.256 9.748 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.303 36.274 10.881 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.373 35.425 8.271 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.885 33.733 8.530 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.055 35.042 9.404 1.00 0.00 H new ATOM 237 N LEU A 15 37.532 31.658 10.097 1.00 0.00 N ATOM 238 CA LEU A 15 37.473 30.308 9.540 1.00 0.00 C ATOM 239 C LEU A 15 36.765 30.341 8.182 1.00 0.00 C ATOM 240 O LEU A 15 36.014 31.273 7.884 1.00 0.00 O ATOM 241 CB LEU A 15 36.696 29.395 10.528 1.00 0.00 C ATOM 242 CG LEU A 15 37.598 28.291 11.101 1.00 0.00 C ATOM 243 CD1 LEU A 15 38.690 28.905 11.989 1.00 0.00 C ATOM 244 CD2 LEU A 15 36.733 27.340 11.935 1.00 0.00 C ATOM 0 H LEU A 15 36.651 32.170 10.041 1.00 0.00 H new ATOM 0 HA LEU A 15 38.481 29.917 9.397 1.00 0.00 H new ATOM 0 HB2 LEU A 15 36.294 29.997 11.343 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.846 28.943 10.016 1.00 0.00 H new ATOM 0 HG LEU A 15 38.077 27.749 10.285 1.00 0.00 H new ATOM 0 HD11 LEU A 15 39.322 28.112 12.389 1.00 0.00 H new ATOM 0 HD12 LEU A 15 39.297 29.590 11.398 1.00 0.00 H new ATOM 0 HD13 LEU A 15 38.227 29.449 12.812 1.00 0.00 H new ATOM 0 HD21 LEU A 15 37.358 26.549 12.350 1.00 0.00 H new ATOM 0 HD22 LEU A 15 36.262 27.894 12.747 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.963 26.899 11.302 1.00 0.00 H new ATOM 256 N GLU A 16 36.985 29.294 7.386 1.00 0.00 N ATOM 257 CA GLU A 16 36.342 29.171 6.073 1.00 0.00 C ATOM 258 C GLU A 16 35.398 27.976 6.100 1.00 0.00 C ATOM 259 O GLU A 16 35.793 26.875 6.483 1.00 0.00 O ATOM 260 CB GLU A 16 37.388 28.985 4.969 1.00 0.00 C ATOM 261 CG GLU A 16 36.726 29.168 3.599 1.00 0.00 C ATOM 262 CD GLU A 16 37.740 28.903 2.491 1.00 0.00 C ATOM 263 OE1 GLU A 16 38.881 29.303 2.652 1.00 0.00 O ATOM 264 OE2 GLU A 16 37.362 28.304 1.498 1.00 0.00 O ATOM 0 H GLU A 16 37.603 28.518 7.625 1.00 0.00 H new ATOM 0 HA GLU A 16 35.786 30.084 5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.195 29.707 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.834 27.993 5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.881 28.487 3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.332 30.180 3.508 1.00 0.00 H new ATOM 271 N VAL A 17 34.148 28.199 5.706 1.00 0.00 N ATOM 272 CA VAL A 17 33.157 27.120 5.711 1.00 0.00 C ATOM 273 C VAL A 17 32.167 27.262 4.562 1.00 0.00 C ATOM 274 O VAL A 17 32.084 28.307 3.916 1.00 0.00 O ATOM 275 CB VAL A 17 32.414 27.087 7.063 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.386 27.418 8.199 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.279 28.114 7.076 1.00 0.00 C ATOM 0 H VAL A 17 33.798 29.101 5.383 1.00 0.00 H new ATOM 0 HA VAL A 17 33.687 26.178 5.573 1.00 0.00 H new ATOM 0 HB VAL A 17 32.002 26.088 7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.855 27.393 9.151 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.192 26.684 8.214 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.804 28.413 8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.766 28.077 8.037 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.690 29.112 6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.572 27.885 6.278 1.00 0.00 H new ATOM 287 N GLU A 18 31.399 26.198 4.333 1.00 0.00 N ATOM 288 CA GLU A 18 30.386 26.185 3.284 1.00 0.00 C ATOM 289 C GLU A 18 29.020 26.458 3.913 1.00 0.00 C ATOM 290 O GLU A 18 28.805 26.144 5.084 1.00 0.00 O ATOM 291 CB GLU A 18 30.377 24.813 2.599 1.00 0.00 C ATOM 292 CG GLU A 18 31.574 24.703 1.652 1.00 0.00 C ATOM 293 CD GLU A 18 31.652 23.294 1.074 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.823 22.970 0.240 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.541 22.560 1.474 1.00 0.00 O ATOM 0 H GLU A 18 31.461 25.330 4.865 1.00 0.00 H new ATOM 0 HA GLU A 18 30.608 26.952 2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.419 24.022 3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.448 24.678 2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.479 25.431 0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.494 24.937 2.187 1.00 0.00 H new ATOM 302 N PRO A 19 28.100 27.035 3.184 1.00 0.00 N ATOM 303 CA PRO A 19 26.745 27.345 3.725 1.00 0.00 C ATOM 304 C PRO A 19 25.955 26.073 4.014 1.00 0.00 C ATOM 305 O PRO A 19 24.898 26.116 4.648 1.00 0.00 O ATOM 306 CB PRO A 19 26.090 28.179 2.612 1.00 0.00 C ATOM 307 CG PRO A 19 26.796 27.767 1.361 1.00 0.00 C ATOM 308 CD PRO A 19 28.233 27.450 1.776 1.00 0.00 C ATOM 0 HA PRO A 19 26.783 27.875 4.677 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.020 27.980 2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 19 26.205 29.247 2.798 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.318 26.897 0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 19 26.771 28.564 0.618 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.663 26.658 1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.882 28.320 1.673 1.00 0.00 H new ATOM 316 N SER A 20 26.464 24.938 3.529 1.00 0.00 N ATOM 317 CA SER A 20 25.796 23.652 3.717 1.00 0.00 C ATOM 318 C SER A 20 26.526 22.790 4.745 1.00 0.00 C ATOM 319 O SER A 20 26.198 21.617 4.918 1.00 0.00 O ATOM 320 CB SER A 20 25.748 22.911 2.381 1.00 0.00 C ATOM 321 OG SER A 20 25.089 21.665 2.557 1.00 0.00 O ATOM 0 H SER A 20 27.337 24.885 3.003 1.00 0.00 H new ATOM 0 HA SER A 20 24.787 23.841 4.085 1.00 0.00 H new ATOM 0 HB2 SER A 20 25.223 23.511 1.638 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.758 22.751 2.005 1.00 0.00 H new ATOM 0 HG SER A 20 25.156 21.389 3.495 1.00 0.00 H new ATOM 327 N ASP A 21 27.509 23.369 5.433 1.00 0.00 N ATOM 328 CA ASP A 21 28.252 22.627 6.438 1.00 0.00 C ATOM 329 C ASP A 21 27.349 22.308 7.624 1.00 0.00 C ATOM 330 O ASP A 21 26.459 23.088 7.966 1.00 0.00 O ATOM 331 CB ASP A 21 29.460 23.460 6.891 1.00 0.00 C ATOM 332 CG ASP A 21 30.614 23.329 5.896 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.561 22.440 5.063 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.539 24.118 5.990 1.00 0.00 O ATOM 0 H ASP A 21 27.803 24.338 5.312 1.00 0.00 H new ATOM 0 HA ASP A 21 28.605 21.687 6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.171 24.507 6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.785 23.130 7.878 1.00 0.00 H new ATOM 339 N THR A 22 27.582 21.156 8.251 1.00 0.00 N ATOM 340 CA THR A 22 26.782 20.746 9.402 1.00 0.00 C ATOM 341 C THR A 22 27.414 21.259 10.685 1.00 0.00 C ATOM 342 O THR A 22 28.625 21.454 10.752 1.00 0.00 O ATOM 343 CB THR A 22 26.681 19.219 9.458 1.00 0.00 C ATOM 344 OG1 THR A 22 27.963 18.671 9.730 1.00 0.00 O ATOM 345 CG2 THR A 22 26.168 18.685 8.118 1.00 0.00 C ATOM 0 H THR A 22 28.312 20.496 7.984 1.00 0.00 H new ATOM 0 HA THR A 22 25.782 21.168 9.299 1.00 0.00 H new ATOM 0 HB THR A 22 25.987 18.931 10.248 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.900 17.694 9.768 1.00 0.00 H new ATOM 0 HG21 THR A 22 26.098 17.598 8.162 1.00 0.00 H new ATOM 0 HG22 THR A 22 25.183 19.104 7.912 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.857 18.972 7.324 1.00 0.00 H new ATOM 353 N ILE A 23 26.593 21.471 11.701 1.00 0.00 N ATOM 354 CA ILE A 23 27.106 21.960 12.971 1.00 0.00 C ATOM 355 C ILE A 23 28.227 21.054 13.460 1.00 0.00 C ATOM 356 O ILE A 23 29.066 21.459 14.262 1.00 0.00 O ATOM 357 CB ILE A 23 25.984 22.011 14.012 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.756 22.722 13.426 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.466 22.769 15.249 1.00 0.00 C ATOM 360 CD1 ILE A 23 25.164 24.063 12.803 1.00 0.00 C ATOM 0 H ILE A 23 25.585 21.315 11.674 1.00 0.00 H new ATOM 0 HA ILE A 23 27.497 22.967 12.828 1.00 0.00 H new ATOM 0 HB ILE A 23 25.711 20.993 14.290 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.287 22.090 12.671 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.015 22.887 14.208 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.666 22.804 15.989 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.331 22.260 15.674 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.745 23.784 14.968 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.283 24.556 12.391 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.611 24.698 13.567 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.888 23.889 12.007 1.00 0.00 H new ATOM 372 N GLU A 24 28.249 19.831 12.948 1.00 0.00 N ATOM 373 CA GLU A 24 29.284 18.878 13.322 1.00 0.00 C ATOM 374 C GLU A 24 30.587 19.213 12.600 1.00 0.00 C ATOM 375 O GLU A 24 31.629 19.400 13.226 1.00 0.00 O ATOM 376 CB GLU A 24 28.834 17.459 12.965 1.00 0.00 C ATOM 377 CG GLU A 24 27.725 17.021 13.926 1.00 0.00 C ATOM 378 CD GLU A 24 27.195 15.649 13.523 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.546 15.193 12.448 1.00 0.00 O ATOM 380 OE2 GLU A 24 26.446 15.074 14.297 1.00 0.00 O ATOM 0 H GLU A 24 27.567 19.477 12.277 1.00 0.00 H new ATOM 0 HA GLU A 24 29.453 18.937 14.397 1.00 0.00 H new ATOM 0 HB2 GLU A 24 28.473 17.428 11.937 1.00 0.00 H new ATOM 0 HB3 GLU A 24 29.677 16.771 13.028 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.109 16.986 14.945 1.00 0.00 H new ATOM 0 HG3 GLU A 24 26.915 17.750 13.915 1.00 0.00 H new ATOM 387 N ASN A 25 30.516 19.287 11.277 1.00 0.00 N ATOM 388 CA ASN A 25 31.690 19.603 10.472 1.00 0.00 C ATOM 389 C ASN A 25 32.298 20.935 10.907 1.00 0.00 C ATOM 390 O ASN A 25 33.517 21.068 11.015 1.00 0.00 O ATOM 391 CB ASN A 25 31.291 19.684 8.998 1.00 0.00 C ATOM 392 CG ASN A 25 32.532 19.658 8.112 1.00 0.00 C ATOM 393 OD1 ASN A 25 32.955 20.696 7.603 1.00 0.00 O ATOM 394 ND2 ASN A 25 33.139 18.525 7.893 1.00 0.00 N ATOM 0 H ASN A 25 29.662 19.133 10.740 1.00 0.00 H new ATOM 0 HA ASN A 25 32.432 18.817 10.613 1.00 0.00 H new ATOM 0 HB2 ASN A 25 30.637 18.849 8.745 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.726 20.598 8.817 1.00 0.00 H new ATOM 0 HD21 ASN A 25 33.967 18.497 7.298 1.00 0.00 H new ATOM 0 HD22 ASN A 25 32.786 17.667 8.316 1.00 0.00 H new ATOM 401 N VAL A 26 31.444 21.924 11.150 1.00 0.00 N ATOM 402 CA VAL A 26 31.923 23.238 11.563 1.00 0.00 C ATOM 403 C VAL A 26 32.623 23.152 12.916 1.00 0.00 C ATOM 404 O VAL A 26 33.665 23.773 13.127 1.00 0.00 O ATOM 405 CB VAL A 26 30.761 24.235 11.629 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.292 25.605 12.042 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.107 24.348 10.250 1.00 0.00 C ATOM 0 H VAL A 26 30.430 21.843 11.070 1.00 0.00 H new ATOM 0 HA VAL A 26 32.642 23.589 10.823 1.00 0.00 H new ATOM 0 HB VAL A 26 30.027 23.888 12.357 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.467 26.316 12.090 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.765 25.532 13.021 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.024 25.947 11.310 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.280 25.057 10.296 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.843 24.696 9.526 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.731 23.372 9.945 1.00 0.00 H new ATOM 417 N LYS A 27 32.057 22.371 13.830 1.00 0.00 N ATOM 418 CA LYS A 27 32.658 22.212 15.148 1.00 0.00 C ATOM 419 C LYS A 27 34.011 21.540 14.990 1.00 0.00 C ATOM 420 O LYS A 27 34.963 21.839 15.708 1.00 0.00 O ATOM 421 CB LYS A 27 31.747 21.374 16.053 1.00 0.00 C ATOM 422 CG LYS A 27 30.628 22.257 16.616 1.00 0.00 C ATOM 423 CD LYS A 27 29.587 21.382 17.321 1.00 0.00 C ATOM 424 CE LYS A 27 28.709 22.255 18.222 1.00 0.00 C ATOM 425 NZ LYS A 27 27.599 21.433 18.784 1.00 0.00 N ATOM 0 H LYS A 27 31.195 21.845 13.685 1.00 0.00 H new ATOM 0 HA LYS A 27 32.787 23.190 15.613 1.00 0.00 H new ATOM 0 HB2 LYS A 27 31.320 20.545 15.489 1.00 0.00 H new ATOM 0 HB3 LYS A 27 32.327 20.940 16.868 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.042 22.983 17.316 1.00 0.00 H new ATOM 0 HG3 LYS A 27 30.158 22.822 15.811 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.971 20.867 16.584 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.084 20.614 17.914 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.306 22.679 19.029 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.304 23.091 17.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.804 22.052 19.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.284 20.742 18.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.934 20.930 19.631 1.00 0.00 H new ATOM 439 N ALA A 28 34.080 20.632 14.028 1.00 0.00 N ATOM 440 CA ALA A 28 35.307 19.915 13.745 1.00 0.00 C ATOM 441 C ALA A 28 36.412 20.899 13.362 1.00 0.00 C ATOM 442 O ALA A 28 37.563 20.744 13.769 1.00 0.00 O ATOM 443 CB ALA A 28 35.048 18.931 12.603 1.00 0.00 C ATOM 0 H ALA A 28 33.295 20.376 13.429 1.00 0.00 H new ATOM 0 HA ALA A 28 35.631 19.368 14.631 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.964 18.384 12.379 1.00 0.00 H new ATOM 0 HB2 ALA A 28 34.269 18.228 12.898 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.727 19.478 11.717 1.00 0.00 H new ATOM 449 N LYS A 29 36.041 21.925 12.598 1.00 0.00 N ATOM 450 CA LYS A 29 37.002 22.946 12.188 1.00 0.00 C ATOM 451 C LYS A 29 37.484 23.711 13.419 1.00 0.00 C ATOM 452 O LYS A 29 38.666 24.045 13.546 1.00 0.00 O ATOM 453 CB LYS A 29 36.362 23.932 11.199 1.00 0.00 C ATOM 454 CG LYS A 29 35.949 23.204 9.917 1.00 0.00 C ATOM 455 CD LYS A 29 35.359 24.213 8.923 1.00 0.00 C ATOM 456 CE LYS A 29 34.918 23.481 7.654 1.00 0.00 C ATOM 457 NZ LYS A 29 36.109 22.884 6.986 1.00 0.00 N ATOM 0 H LYS A 29 35.092 22.071 12.254 1.00 0.00 H new ATOM 0 HA LYS A 29 37.842 22.455 11.698 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.491 24.402 11.655 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.067 24.729 10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.812 22.705 9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.215 22.431 10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.510 24.728 9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.100 24.974 8.678 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.198 22.701 7.903 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.417 24.173 6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 35.876 22.658 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.897 23.563 7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.386 22.014 7.484 1.00 0.00 H new ATOM 471 N ILE A 30 36.553 23.967 14.330 1.00 0.00 N ATOM 472 CA ILE A 30 36.871 24.677 15.551 1.00 0.00 C ATOM 473 C ILE A 30 37.808 23.853 16.420 1.00 0.00 C ATOM 474 O ILE A 30 38.819 24.357 16.899 1.00 0.00 O ATOM 475 CB ILE A 30 35.574 24.986 16.306 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.704 25.945 15.459 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.903 25.634 17.658 1.00 0.00 C ATOM 478 CD1 ILE A 30 35.115 27.403 15.711 1.00 0.00 C ATOM 0 H ILE A 30 35.575 23.692 14.242 1.00 0.00 H new ATOM 0 HA ILE A 30 37.376 25.610 15.303 1.00 0.00 H new ATOM 0 HB ILE A 30 35.025 24.061 16.481 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.814 25.707 14.401 1.00 0.00 H new ATOM 0 HG13 ILE A 30 33.652 25.809 15.709 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.978 25.852 18.192 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.511 24.951 18.251 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.454 26.560 17.493 1.00 0.00 H new ATOM 0 HD11 ILE A 30 34.494 28.065 15.108 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.982 27.641 16.766 1.00 0.00 H new ATOM 0 HD13 ILE A 30 36.161 27.538 15.438 1.00 0.00 H new ATOM 490 N GLN A 31 37.469 22.586 16.617 1.00 0.00 N ATOM 491 CA GLN A 31 38.300 21.706 17.432 1.00 0.00 C ATOM 492 C GLN A 31 39.700 21.592 16.841 1.00 0.00 C ATOM 493 O GLN A 31 40.695 21.642 17.563 1.00 0.00 O ATOM 494 CB GLN A 31 37.676 20.311 17.510 1.00 0.00 C ATOM 495 CG GLN A 31 38.484 19.445 18.482 1.00 0.00 C ATOM 496 CD GLN A 31 37.865 18.057 18.590 1.00 0.00 C ATOM 497 OE1 GLN A 31 37.015 17.690 17.778 1.00 0.00 O ATOM 498 NE2 GLN A 31 38.249 17.255 19.546 1.00 0.00 N ATOM 0 H GLN A 31 36.634 22.147 16.229 1.00 0.00 H new ATOM 0 HA GLN A 31 38.365 22.134 18.432 1.00 0.00 H new ATOM 0 HB2 GLN A 31 36.641 20.382 17.843 1.00 0.00 H new ATOM 0 HB3 GLN A 31 37.662 19.851 16.522 1.00 0.00 H new ATOM 0 HG2 GLN A 31 39.515 19.365 18.138 1.00 0.00 H new ATOM 0 HG3 GLN A 31 38.511 19.917 19.464 1.00 0.00 H new ATOM 0 HE21 GLN A 31 38.953 17.562 20.217 1.00 0.00 H new ATOM 0 HE22 GLN A 31 37.845 16.322 19.622 1.00 0.00 H new ATOM 507 N ASP A 32 39.766 21.415 15.531 1.00 0.00 N ATOM 508 CA ASP A 32 41.047 21.268 14.851 1.00 0.00 C ATOM 509 C ASP A 32 41.983 22.439 15.148 1.00 0.00 C ATOM 510 O ASP A 32 43.186 22.245 15.321 1.00 0.00 O ATOM 511 CB ASP A 32 40.823 21.164 13.340 1.00 0.00 C ATOM 512 CG ASP A 32 42.157 20.961 12.627 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.142 20.734 13.310 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.173 21.036 11.410 1.00 0.00 O ATOM 0 H ASP A 32 38.952 21.369 14.918 1.00 0.00 H new ATOM 0 HA ASP A 32 41.517 20.357 15.223 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.153 20.333 13.120 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.339 22.069 12.973 1.00 0.00 H new ATOM 519 N LYS A 33 41.442 23.657 15.180 1.00 0.00 N ATOM 520 CA LYS A 33 42.274 24.843 15.427 1.00 0.00 C ATOM 521 C LYS A 33 42.385 25.208 16.911 1.00 0.00 C ATOM 522 O LYS A 33 43.429 25.692 17.349 1.00 0.00 O ATOM 523 CB LYS A 33 41.703 26.037 14.658 1.00 0.00 C ATOM 524 CG LYS A 33 41.804 25.778 13.141 1.00 0.00 C ATOM 525 CD LYS A 33 43.162 26.262 12.620 1.00 0.00 C ATOM 526 CE LYS A 33 43.250 26.018 11.116 1.00 0.00 C ATOM 527 NZ LYS A 33 42.174 26.782 10.424 1.00 0.00 N ATOM 0 H LYS A 33 40.450 23.851 15.041 1.00 0.00 H new ATOM 0 HA LYS A 33 43.278 24.598 15.082 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.663 26.199 14.940 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.249 26.944 14.919 1.00 0.00 H new ATOM 0 HG2 LYS A 33 41.684 24.714 12.936 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.999 26.296 12.620 1.00 0.00 H new ATOM 0 HD2 LYS A 33 43.288 27.323 12.834 1.00 0.00 H new ATOM 0 HD3 LYS A 33 43.968 25.736 13.132 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.227 26.327 10.743 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.149 24.954 10.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.430 26.914 9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 41.279 26.255 10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 42.061 27.711 10.878 1.00 0.00 H new ATOM 541 N GLU A 34 41.311 25.017 17.679 1.00 0.00 N ATOM 542 CA GLU A 34 41.324 25.382 19.105 1.00 0.00 C ATOM 543 C GLU A 34 41.556 24.175 20.016 1.00 0.00 C ATOM 544 O GLU A 34 41.844 24.339 21.202 1.00 0.00 O ATOM 545 CB GLU A 34 40.000 26.054 19.479 1.00 0.00 C ATOM 546 CG GLU A 34 39.680 27.154 18.464 1.00 0.00 C ATOM 547 CD GLU A 34 38.542 28.028 18.984 1.00 0.00 C ATOM 548 OE1 GLU A 34 38.230 27.924 20.160 1.00 0.00 O ATOM 549 OE2 GLU A 34 38.000 28.789 18.200 1.00 0.00 O ATOM 0 H GLU A 34 40.432 24.618 17.349 1.00 0.00 H new ATOM 0 HA GLU A 34 42.156 26.071 19.254 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.198 25.316 19.496 1.00 0.00 H new ATOM 0 HB3 GLU A 34 40.065 26.477 20.481 1.00 0.00 H new ATOM 0 HG2 GLU A 34 40.565 27.764 18.285 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.401 26.709 17.509 1.00 0.00 H new ATOM 556 N GLY A 35 41.468 22.972 19.465 1.00 0.00 N ATOM 557 CA GLY A 35 41.710 21.761 20.250 1.00 0.00 C ATOM 558 C GLY A 35 40.678 21.558 21.362 1.00 0.00 C ATOM 559 O GLY A 35 40.891 20.746 22.262 1.00 0.00 O ATOM 0 H GLY A 35 41.233 22.805 18.487 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.698 20.896 19.587 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.706 21.812 20.690 1.00 0.00 H new ATOM 563 N ILE A 36 39.563 22.281 21.299 1.00 0.00 N ATOM 564 CA ILE A 36 38.516 22.151 22.308 1.00 0.00 C ATOM 565 C ILE A 36 37.474 21.109 21.867 1.00 0.00 C ATOM 566 O ILE A 36 36.745 21.344 20.904 1.00 0.00 O ATOM 567 CB ILE A 36 37.827 23.503 22.494 1.00 0.00 C ATOM 568 CG1 ILE A 36 38.888 24.593 22.696 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.920 23.448 23.717 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.842 24.203 23.835 1.00 0.00 C ATOM 0 H ILE A 36 39.362 22.959 20.564 1.00 0.00 H new ATOM 0 HA ILE A 36 38.966 21.827 23.246 1.00 0.00 H new ATOM 0 HB ILE A 36 37.232 23.732 21.610 1.00 0.00 H new ATOM 0 HG12 ILE A 36 39.451 24.737 21.774 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.405 25.542 22.926 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.429 24.412 23.849 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.166 22.673 23.577 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.515 23.219 24.601 1.00 0.00 H new ATOM 0 HD11 ILE A 36 40.590 24.985 23.967 1.00 0.00 H new ATOM 0 HD12 ILE A 36 39.276 24.082 24.759 1.00 0.00 H new ATOM 0 HD13 ILE A 36 40.339 23.265 23.588 1.00 0.00 H new ATOM 582 N PRO A 37 37.379 19.967 22.529 1.00 0.00 N ATOM 583 CA PRO A 37 36.389 18.913 22.149 1.00 0.00 C ATOM 584 C PRO A 37 34.992 19.499 21.880 1.00 0.00 C ATOM 585 O PRO A 37 34.586 20.467 22.526 1.00 0.00 O ATOM 586 CB PRO A 37 36.374 17.980 23.364 1.00 0.00 C ATOM 587 CG PRO A 37 37.741 18.103 23.955 1.00 0.00 C ATOM 588 CD PRO A 37 38.189 19.545 23.693 1.00 0.00 C ATOM 0 HA PRO A 37 36.660 18.407 21.223 1.00 0.00 H new ATOM 0 HB2 PRO A 37 35.606 18.274 24.079 1.00 0.00 H new ATOM 0 HB3 PRO A 37 36.160 16.952 23.071 1.00 0.00 H new ATOM 0 HG2 PRO A 37 37.724 17.888 25.023 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.429 17.392 23.497 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.007 20.183 24.558 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.256 19.598 23.477 1.00 0.00 H new ATOM 596 N PRO A 38 34.254 18.940 20.949 1.00 0.00 N ATOM 597 CA PRO A 38 32.888 19.438 20.599 1.00 0.00 C ATOM 598 C PRO A 38 31.869 19.158 21.701 1.00 0.00 C ATOM 599 O PRO A 38 30.821 19.801 21.767 1.00 0.00 O ATOM 600 CB PRO A 38 32.551 18.674 19.312 1.00 0.00 C ATOM 601 CG PRO A 38 33.313 17.403 19.437 1.00 0.00 C ATOM 602 CD PRO A 38 34.620 17.771 20.132 1.00 0.00 C ATOM 0 HA PRO A 38 32.860 20.520 20.474 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.480 18.490 19.226 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.851 19.233 18.426 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.755 16.668 20.017 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.501 16.961 18.458 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.993 16.952 20.747 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.403 18.012 19.413 1.00 0.00 H new ATOM 610 N ASP A 39 32.183 18.199 22.563 1.00 0.00 N ATOM 611 CA ASP A 39 31.284 17.851 23.654 1.00 0.00 C ATOM 612 C ASP A 39 31.293 18.935 24.727 1.00 0.00 C ATOM 613 O ASP A 39 30.392 18.996 25.562 1.00 0.00 O ATOM 614 CB ASP A 39 31.701 16.514 24.271 1.00 0.00 C ATOM 615 CG ASP A 39 33.209 16.492 24.498 1.00 0.00 C ATOM 616 OD1 ASP A 39 33.934 16.419 23.520 1.00 0.00 O ATOM 617 OD2 ASP A 39 33.616 16.548 25.647 1.00 0.00 O ATOM 0 H ASP A 39 33.044 17.654 22.529 1.00 0.00 H new ATOM 0 HA ASP A 39 30.275 17.765 23.251 1.00 0.00 H new ATOM 0 HB2 ASP A 39 31.180 16.362 25.217 1.00 0.00 H new ATOM 0 HB3 ASP A 39 31.412 15.695 23.613 1.00 0.00 H new ATOM 622 N GLN A 40 32.323 19.786 24.706 1.00 0.00 N ATOM 623 CA GLN A 40 32.442 20.862 25.694 1.00 0.00 C ATOM 624 C GLN A 40 32.135 22.214 25.064 1.00 0.00 C ATOM 625 O GLN A 40 32.133 23.236 25.751 1.00 0.00 O ATOM 626 CB GLN A 40 33.862 20.888 26.262 1.00 0.00 C ATOM 627 CG GLN A 40 34.148 19.571 26.989 1.00 0.00 C ATOM 628 CD GLN A 40 35.531 19.621 27.629 1.00 0.00 C ATOM 629 OE1 GLN A 40 36.504 19.147 27.043 1.00 0.00 O ATOM 630 NE2 GLN A 40 35.677 20.171 28.803 1.00 0.00 N ATOM 0 H GLN A 40 33.080 19.752 24.023 1.00 0.00 H new ATOM 0 HA GLN A 40 31.724 20.672 26.491 1.00 0.00 H new ATOM 0 HB2 GLN A 40 34.583 21.036 25.458 1.00 0.00 H new ATOM 0 HB3 GLN A 40 33.974 21.726 26.949 1.00 0.00 H new ATOM 0 HG2 GLN A 40 33.390 19.395 27.753 1.00 0.00 H new ATOM 0 HG3 GLN A 40 34.092 18.739 26.287 1.00 0.00 H new ATOM 0 HE21 GLN A 40 34.869 20.563 29.287 1.00 0.00 H new ATOM 0 HE22 GLN A 40 36.599 20.209 29.237 1.00 0.00 H new ATOM 639 N GLN A 41 31.907 22.227 23.749 1.00 0.00 N ATOM 640 CA GLN A 41 31.636 23.476 23.035 1.00 0.00 C ATOM 641 C GLN A 41 30.179 23.575 22.594 1.00 0.00 C ATOM 642 O GLN A 41 29.590 22.609 22.109 1.00 0.00 O ATOM 643 CB GLN A 41 32.529 23.557 21.793 1.00 0.00 C ATOM 644 CG GLN A 41 32.366 24.927 21.130 1.00 0.00 C ATOM 645 CD GLN A 41 33.309 25.037 19.938 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.528 25.071 20.112 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.818 25.092 18.731 1.00 0.00 N ATOM 0 H GLN A 41 31.904 21.394 23.161 1.00 0.00 H new ATOM 0 HA GLN A 41 31.845 24.298 23.719 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.571 23.398 22.071 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.263 22.768 21.090 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.335 25.063 20.804 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.580 25.717 21.849 1.00 0.00 H new ATOM 0 HE21 GLN A 41 31.808 25.064 18.589 1.00 0.00 H new ATOM 0 HE22 GLN A 41 33.444 25.163 17.929 1.00 0.00 H new ATOM 656 N ARG A 42 29.623 24.774 22.749 1.00 0.00 N ATOM 657 CA ARG A 42 28.246 25.062 22.354 1.00 0.00 C ATOM 658 C ARG A 42 28.248 26.310 21.476 1.00 0.00 C ATOM 659 O ARG A 42 28.921 27.291 21.797 1.00 0.00 O ATOM 660 CB ARG A 42 27.376 25.302 23.594 1.00 0.00 C ATOM 661 CG ARG A 42 27.458 24.085 24.550 1.00 0.00 C ATOM 662 CD ARG A 42 26.093 23.825 25.196 1.00 0.00 C ATOM 663 NE ARG A 42 25.600 25.033 25.854 1.00 0.00 N ATOM 664 CZ ARG A 42 24.603 24.980 26.733 1.00 0.00 C ATOM 665 NH1 ARG A 42 24.174 26.075 27.302 1.00 0.00 N ATOM 666 NH2 ARG A 42 24.053 23.835 27.030 1.00 0.00 N ATOM 0 H ARG A 42 30.113 25.573 23.151 1.00 0.00 H new ATOM 0 HA ARG A 42 27.836 24.214 21.805 1.00 0.00 H new ATOM 0 HB2 ARG A 42 27.708 26.203 24.111 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.341 25.469 23.294 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.782 23.202 23.999 1.00 0.00 H new ATOM 0 HG3 ARG A 42 28.204 24.270 25.322 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.381 23.501 24.437 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.176 23.016 25.922 1.00 0.00 H new ATOM 0 HE ARG A 42 26.028 25.933 25.635 1.00 0.00 H new ATOM 0 HH11 ARG A 42 24.604 26.971 27.072 1.00 0.00 H new ATOM 0 HH12 ARG A 42 23.409 26.034 27.976 1.00 0.00 H new ATOM 0 HH21 ARG A 42 24.387 22.979 26.588 1.00 0.00 H new ATOM 0 HH22 ARG A 42 23.289 23.796 27.704 1.00 0.00 H new ATOM 680 N LEU A 43 27.514 26.276 20.362 1.00 0.00 N ATOM 681 CA LEU A 43 27.464 27.422 19.444 1.00 0.00 C ATOM 682 C LEU A 43 26.064 28.031 19.414 1.00 0.00 C ATOM 683 O LEU A 43 25.072 27.319 19.244 1.00 0.00 O ATOM 684 CB LEU A 43 27.850 26.965 18.033 1.00 0.00 C ATOM 685 CG LEU A 43 29.208 26.251 18.063 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.528 25.708 16.666 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.309 27.234 18.495 1.00 0.00 C ATOM 0 H LEU A 43 26.950 25.477 20.073 1.00 0.00 H new ATOM 0 HA LEU A 43 28.166 28.178 19.795 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.087 26.295 17.638 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.897 27.824 17.364 1.00 0.00 H new ATOM 0 HG LEU A 43 29.164 25.428 18.776 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.492 25.200 16.685 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.753 25.004 16.363 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.566 26.533 15.955 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.270 26.719 18.514 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.355 28.062 17.788 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.084 27.618 19.490 1.00 0.00 H new ATOM 699 N ILE A 44 25.986 29.357 19.594 1.00 0.00 N ATOM 700 CA ILE A 44 24.698 30.061 19.598 1.00 0.00 C ATOM 701 C ILE A 44 24.716 31.254 18.634 1.00 0.00 C ATOM 702 O ILE A 44 25.720 31.963 18.501 1.00 0.00 O ATOM 703 CB ILE A 44 24.379 30.542 21.018 1.00 0.00 C ATOM 704 CG1 ILE A 44 24.599 29.379 21.997 1.00 0.00 C ATOM 705 CG2 ILE A 44 22.920 31.009 21.085 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.043 29.739 23.378 1.00 0.00 C ATOM 0 H ILE A 44 26.796 29.960 19.738 1.00 0.00 H new ATOM 0 HA ILE A 44 23.926 29.368 19.264 1.00 0.00 H new ATOM 0 HB ILE A 44 25.031 31.374 21.284 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.109 28.481 21.622 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.663 29.154 22.072 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.693 31.351 22.095 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.767 31.828 20.382 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.261 30.181 20.826 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.205 28.907 24.063 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.553 30.625 23.756 1.00 0.00 H new ATOM 0 HD13 ILE A 44 22.975 29.941 23.299 1.00 0.00 H new ATOM 718 N PHE A 45 23.574 31.467 17.980 1.00 0.00 N ATOM 719 CA PHE A 45 23.402 32.567 17.029 1.00 0.00 C ATOM 720 C PHE A 45 21.952 33.034 17.075 1.00 0.00 C ATOM 721 O PHE A 45 21.045 32.220 17.239 1.00 0.00 O ATOM 722 CB PHE A 45 23.735 32.092 15.613 1.00 0.00 C ATOM 723 CG PHE A 45 23.677 33.256 14.647 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.757 34.141 14.551 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.545 33.444 13.841 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.707 35.214 13.650 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.495 34.518 12.943 1.00 0.00 C ATOM 728 CZ PHE A 45 23.576 35.402 12.847 1.00 0.00 C ATOM 0 H PHE A 45 22.744 30.885 18.093 1.00 0.00 H new ATOM 0 HA PHE A 45 24.070 33.386 17.295 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.729 31.644 15.596 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.031 31.319 15.305 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.629 33.997 15.171 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.712 32.761 13.913 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.541 35.896 13.575 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.622 34.664 12.324 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.537 36.229 12.153 1.00 0.00 H new ATOM 738 N ALA A 46 21.723 34.335 16.944 1.00 0.00 N ATOM 739 CA ALA A 46 20.359 34.843 16.995 1.00 0.00 C ATOM 740 C ALA A 46 19.670 34.305 18.247 1.00 0.00 C ATOM 741 O ALA A 46 18.492 33.945 18.228 1.00 0.00 O ATOM 742 CB ALA A 46 19.589 34.418 15.743 1.00 0.00 C ATOM 0 H ALA A 46 22.445 35.042 16.805 1.00 0.00 H new ATOM 0 HA ALA A 46 20.379 35.932 17.032 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.571 34.804 15.793 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.085 34.817 14.858 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.562 33.330 15.684 1.00 0.00 H new ATOM 748 N GLY A 47 20.435 34.270 19.335 1.00 0.00 N ATOM 749 CA GLY A 47 19.944 33.802 20.628 1.00 0.00 C ATOM 750 C GLY A 47 19.485 32.340 20.613 1.00 0.00 C ATOM 751 O GLY A 47 18.878 31.882 21.580 1.00 0.00 O ATOM 0 H GLY A 47 21.411 34.565 19.345 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.732 33.920 21.372 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.112 34.433 20.942 1.00 0.00 H new ATOM 755 N LYS A 48 19.767 31.602 19.530 1.00 0.00 N ATOM 756 CA LYS A 48 19.355 30.185 19.447 1.00 0.00 C ATOM 757 C LYS A 48 20.557 29.254 19.334 1.00 0.00 C ATOM 758 O LYS A 48 21.524 29.546 18.629 1.00 0.00 O ATOM 759 CB LYS A 48 18.449 29.969 18.236 1.00 0.00 C ATOM 760 CG LYS A 48 17.769 28.600 18.338 1.00 0.00 C ATOM 761 CD LYS A 48 16.766 28.461 17.193 1.00 0.00 C ATOM 762 CE LYS A 48 16.178 27.049 17.182 1.00 0.00 C ATOM 763 NZ LYS A 48 15.443 26.808 18.455 1.00 0.00 N ATOM 0 H LYS A 48 20.268 31.949 18.712 1.00 0.00 H new ATOM 0 HA LYS A 48 18.818 29.951 20.366 1.00 0.00 H new ATOM 0 HB2 LYS A 48 17.697 30.757 18.187 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.033 30.028 17.318 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.513 27.805 18.287 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.262 28.501 19.298 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.968 29.195 17.306 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.257 28.667 16.242 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.505 26.930 16.333 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.973 26.313 17.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.838 25.968 18.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.124 26.652 19.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.853 27.635 18.677 1.00 0.00 H new ATOM 777 N GLN A 49 20.469 28.115 20.018 1.00 0.00 N ATOM 778 CA GLN A 49 21.525 27.117 19.991 1.00 0.00 C ATOM 779 C GLN A 49 21.379 26.236 18.751 1.00 0.00 C ATOM 780 O GLN A 49 20.284 25.768 18.440 1.00 0.00 O ATOM 781 CB GLN A 49 21.439 26.249 21.247 1.00 0.00 C ATOM 782 CG GLN A 49 22.734 25.453 21.420 1.00 0.00 C ATOM 783 CD GLN A 49 22.594 24.472 22.580 1.00 0.00 C ATOM 784 OE1 GLN A 49 23.100 24.725 23.673 1.00 0.00 O ATOM 785 NE2 GLN A 49 21.932 23.360 22.407 1.00 0.00 N ATOM 0 H GLN A 49 19.670 27.864 20.600 1.00 0.00 H new ATOM 0 HA GLN A 49 22.491 27.620 19.960 1.00 0.00 H new ATOM 0 HB2 GLN A 49 21.268 26.876 22.122 1.00 0.00 H new ATOM 0 HB3 GLN A 49 20.591 25.568 21.172 1.00 0.00 H new ATOM 0 HG2 GLN A 49 22.963 24.912 20.502 1.00 0.00 H new ATOM 0 HG3 GLN A 49 23.566 26.132 21.606 1.00 0.00 H new ATOM 0 HE21 GLN A 49 21.513 23.152 21.501 1.00 0.00 H new ATOM 0 HE22 GLN A 49 21.834 22.700 23.178 1.00 0.00 H new ATOM 794 N LEU A 50 22.481 26.024 18.043 1.00 0.00 N ATOM 795 CA LEU A 50 22.448 25.204 16.832 1.00 0.00 C ATOM 796 C LEU A 50 22.389 23.717 17.182 1.00 0.00 C ATOM 797 O LEU A 50 23.136 23.238 18.036 1.00 0.00 O ATOM 798 CB LEU A 50 23.678 25.493 15.970 1.00 0.00 C ATOM 799 CG LEU A 50 23.915 27.005 15.911 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.115 27.300 15.009 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.670 27.702 15.347 1.00 0.00 C ATOM 0 H LEU A 50 23.399 26.401 18.279 1.00 0.00 H new ATOM 0 HA LEU A 50 21.550 25.458 16.270 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.553 24.993 16.386 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.532 25.097 14.965 1.00 0.00 H new ATOM 0 HG LEU A 50 24.114 27.377 16.916 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.283 28.376 14.967 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.002 26.810 15.411 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.916 26.925 14.005 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.842 28.778 15.306 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.467 27.329 14.343 1.00 0.00 H new ATOM 0 HD23 LEU A 50 21.815 27.495 15.990 1.00 0.00 H new ATOM 813 N GLU A 51 21.478 22.999 16.522 1.00 0.00 N ATOM 814 CA GLU A 51 21.297 21.566 16.768 1.00 0.00 C ATOM 815 C GLU A 51 22.181 20.720 15.857 1.00 0.00 C ATOM 816 O GLU A 51 22.363 21.016 14.672 1.00 0.00 O ATOM 817 CB GLU A 51 19.825 21.183 16.546 1.00 0.00 C ATOM 818 CG GLU A 51 19.009 21.521 17.795 1.00 0.00 C ATOM 819 CD GLU A 51 17.545 21.149 17.580 1.00 0.00 C ATOM 820 OE1 GLU A 51 17.288 20.285 16.758 1.00 0.00 O ATOM 821 OE2 GLU A 51 16.702 21.735 18.240 1.00 0.00 O ATOM 0 H GLU A 51 20.854 23.386 15.814 1.00 0.00 H new ATOM 0 HA GLU A 51 21.586 21.368 17.800 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.426 21.718 15.684 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.746 20.119 16.325 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.407 20.983 18.656 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.093 22.585 18.017 1.00 0.00 H new ATOM 828 N ASP A 52 22.708 19.646 16.426 1.00 0.00 N ATOM 829 CA ASP A 52 23.556 18.738 15.682 1.00 0.00 C ATOM 830 C ASP A 52 22.764 18.054 14.571 1.00 0.00 C ATOM 831 O ASP A 52 21.655 17.569 14.796 1.00 0.00 O ATOM 832 CB ASP A 52 24.135 17.680 16.624 1.00 0.00 C ATOM 833 CG ASP A 52 24.987 18.349 17.697 1.00 0.00 C ATOM 834 OD1 ASP A 52 25.924 19.041 17.335 1.00 0.00 O ATOM 835 OD2 ASP A 52 24.691 18.161 18.866 1.00 0.00 O ATOM 0 H ASP A 52 22.561 19.385 17.401 1.00 0.00 H new ATOM 0 HA ASP A 52 24.368 19.311 15.233 1.00 0.00 H new ATOM 0 HB2 ASP A 52 23.328 17.114 17.089 1.00 0.00 H new ATOM 0 HB3 ASP A 52 24.738 16.969 16.059 1.00 0.00 H new ATOM 840 N GLY A 53 23.344 18.010 13.373 1.00 0.00 N ATOM 841 CA GLY A 53 22.689 17.371 12.228 1.00 0.00 C ATOM 842 C GLY A 53 22.064 18.399 11.285 1.00 0.00 C ATOM 843 O GLY A 53 21.648 18.054 10.179 1.00 0.00 O ATOM 0 H GLY A 53 24.261 18.406 13.168 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.417 16.771 11.681 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.917 16.689 12.585 1.00 0.00 H new ATOM 847 N ARG A 54 22.005 19.665 11.711 1.00 0.00 N ATOM 848 CA ARG A 54 21.435 20.718 10.861 1.00 0.00 C ATOM 849 C ARG A 54 22.537 21.436 10.084 1.00 0.00 C ATOM 850 O ARG A 54 23.698 21.442 10.496 1.00 0.00 O ATOM 851 CB ARG A 54 20.666 21.730 11.713 1.00 0.00 C ATOM 852 CG ARG A 54 19.395 21.078 12.269 1.00 0.00 C ATOM 853 CD ARG A 54 18.455 22.162 12.793 1.00 0.00 C ATOM 854 NE ARG A 54 17.259 21.560 13.369 1.00 0.00 N ATOM 855 CZ ARG A 54 16.300 21.065 12.594 1.00 0.00 C ATOM 856 NH1 ARG A 54 15.221 20.564 13.130 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.443 21.070 11.297 1.00 0.00 N ATOM 0 H ARG A 54 22.338 19.983 12.621 1.00 0.00 H new ATOM 0 HA ARG A 54 20.750 20.251 10.154 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.294 22.082 12.532 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.406 22.602 11.113 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.900 20.498 11.490 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.650 20.384 13.070 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.966 22.763 13.545 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.177 22.835 11.982 1.00 0.00 H new ATOM 0 HE ARG A 54 17.157 21.518 14.383 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.114 20.552 14.144 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.485 20.184 12.535 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.291 21.454 10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.707 20.690 10.701 1.00 0.00 H new ATOM 871 N THR A 55 22.163 22.048 8.958 1.00 0.00 N ATOM 872 CA THR A 55 23.119 22.782 8.122 1.00 0.00 C ATOM 873 C THR A 55 23.005 24.277 8.395 1.00 0.00 C ATOM 874 O THR A 55 21.993 24.734 8.915 1.00 0.00 O ATOM 875 CB THR A 55 22.828 22.512 6.643 1.00 0.00 C ATOM 876 OG1 THR A 55 21.446 22.725 6.389 1.00 0.00 O ATOM 877 CG2 THR A 55 23.194 21.064 6.300 1.00 0.00 C ATOM 0 H THR A 55 21.207 22.051 8.604 1.00 0.00 H new ATOM 0 HA THR A 55 24.128 22.447 8.361 1.00 0.00 H new ATOM 0 HB THR A 55 23.422 23.188 6.028 1.00 0.00 H new ATOM 0 HG1 THR A 55 21.257 22.554 5.443 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.986 20.876 5.247 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.254 20.901 6.495 1.00 0.00 H new ATOM 0 HG23 THR A 55 22.603 20.384 6.914 1.00 0.00 H new ATOM 885 N LEU A 56 24.034 25.043 8.046 1.00 0.00 N ATOM 886 CA LEU A 56 23.985 26.483 8.281 1.00 0.00 C ATOM 887 C LEU A 56 22.761 27.085 7.582 1.00 0.00 C ATOM 888 O LEU A 56 22.110 27.971 8.133 1.00 0.00 O ATOM 889 CB LEU A 56 25.289 27.169 7.794 1.00 0.00 C ATOM 890 CG LEU A 56 26.267 27.380 8.968 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.784 26.024 9.460 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.443 28.251 8.504 1.00 0.00 C ATOM 0 H LEU A 56 24.891 24.703 7.611 1.00 0.00 H new ATOM 0 HA LEU A 56 23.898 26.658 9.353 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.762 26.557 7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.051 28.129 7.336 1.00 0.00 H new ATOM 0 HG LEU A 56 25.750 27.881 9.786 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.475 26.177 10.289 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.945 25.414 9.794 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.301 25.515 8.647 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.134 28.400 9.333 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.962 27.755 7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.069 29.217 8.165 1.00 0.00 H new ATOM 904 N SER A 57 22.458 26.614 6.370 1.00 0.00 N ATOM 905 CA SER A 57 21.312 27.138 5.630 1.00 0.00 C ATOM 906 C SER A 57 20.086 27.208 6.529 1.00 0.00 C ATOM 907 O SER A 57 19.280 28.133 6.422 1.00 0.00 O ATOM 908 CB SER A 57 20.997 26.252 4.424 1.00 0.00 C ATOM 909 OG SER A 57 22.141 26.170 3.586 1.00 0.00 O ATOM 0 H SER A 57 22.981 25.883 5.888 1.00 0.00 H new ATOM 0 HA SER A 57 21.567 28.139 5.284 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.705 25.256 4.757 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.154 26.662 3.868 1.00 0.00 H new ATOM 0 HG SER A 57 22.951 26.279 4.127 1.00 0.00 H new ATOM 915 N ASP A 58 19.952 26.232 7.423 1.00 0.00 N ATOM 916 CA ASP A 58 18.821 26.212 8.338 1.00 0.00 C ATOM 917 C ASP A 58 18.802 27.507 9.136 1.00 0.00 C ATOM 918 O ASP A 58 17.760 28.146 9.292 1.00 0.00 O ATOM 919 CB ASP A 58 18.941 25.017 9.290 1.00 0.00 C ATOM 920 CG ASP A 58 18.859 23.709 8.506 1.00 0.00 C ATOM 921 OD1 ASP A 58 18.468 23.755 7.352 1.00 0.00 O ATOM 922 OD2 ASP A 58 19.189 22.679 9.074 1.00 0.00 O ATOM 0 H ASP A 58 20.604 25.455 7.531 1.00 0.00 H new ATOM 0 HA ASP A 58 17.895 26.118 7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.886 25.067 9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.145 25.054 10.034 1.00 0.00 H new ATOM 927 N TYR A 59 19.978 27.890 9.626 1.00 0.00 N ATOM 928 CA TYR A 59 20.146 29.115 10.402 1.00 0.00 C ATOM 929 C TYR A 59 20.689 30.220 9.501 1.00 0.00 C ATOM 930 O TYR A 59 21.873 30.213 9.202 1.00 0.00 O ATOM 931 CB TYR A 59 21.155 28.859 11.526 1.00 0.00 C ATOM 932 CG TYR A 59 20.670 27.733 12.406 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.120 26.422 12.188 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.775 28.000 13.446 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.671 25.383 13.013 1.00 0.00 C ATOM 936 CE2 TYR A 59 19.327 26.962 14.269 1.00 0.00 C ATOM 937 CZ TYR A 59 19.774 25.654 14.054 1.00 0.00 C ATOM 938 OH TYR A 59 19.332 24.633 14.870 1.00 0.00 O ATOM 0 H TYR A 59 20.840 27.361 9.496 1.00 0.00 H new ATOM 0 HA TYR A 59 19.184 29.416 10.817 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.128 28.608 11.103 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.289 29.764 12.119 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.812 26.214 11.385 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.429 29.009 13.614 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.016 24.373 12.847 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.635 27.170 15.072 1.00 0.00 H new ATOM 0 HH TYR A 59 18.716 24.994 15.541 1.00 0.00 H new ATOM 948 N ASN A 60 19.806 31.109 9.024 1.00 0.00 N ATOM 949 CA ASN A 60 20.194 32.188 8.089 1.00 0.00 C ATOM 950 C ASN A 60 21.467 32.952 8.506 1.00 0.00 C ATOM 951 O ASN A 60 21.428 34.156 8.757 1.00 0.00 O ATOM 952 CB ASN A 60 19.039 33.185 7.930 1.00 0.00 C ATOM 953 CG ASN A 60 17.723 32.443 7.705 1.00 0.00 C ATOM 954 OD1 ASN A 60 17.012 32.137 8.663 1.00 0.00 O ATOM 955 ND2 ASN A 60 17.350 32.138 6.490 1.00 0.00 N ATOM 0 H ASN A 60 18.816 31.106 9.268 1.00 0.00 H new ATOM 0 HA ASN A 60 20.419 31.695 7.143 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.964 33.810 8.820 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.237 33.850 7.090 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.470 31.646 6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.939 32.392 5.697 1.00 0.00 H new ATOM 962 N ILE A 61 22.587 32.234 8.543 1.00 0.00 N ATOM 963 CA ILE A 61 23.889 32.804 8.885 1.00 0.00 C ATOM 964 C ILE A 61 24.657 33.088 7.594 1.00 0.00 C ATOM 965 O ILE A 61 25.202 32.170 6.986 1.00 0.00 O ATOM 966 CB ILE A 61 24.688 31.798 9.723 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.009 31.580 11.076 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.110 32.321 9.947 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.648 30.371 11.769 1.00 0.00 C ATOM 0 H ILE A 61 22.618 31.236 8.336 1.00 0.00 H new ATOM 0 HA ILE A 61 23.747 33.723 9.454 1.00 0.00 H new ATOM 0 HB ILE A 61 24.728 30.850 9.186 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.115 32.469 11.698 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.941 31.413 10.938 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.672 31.602 10.543 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.603 32.459 8.985 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.068 33.275 10.473 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.169 30.210 12.735 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.519 29.485 11.147 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.711 30.557 11.919 1.00 0.00 H new ATOM 981 N GLN A 62 24.679 34.345 7.158 1.00 0.00 N ATOM 982 CA GLN A 62 25.370 34.693 5.909 1.00 0.00 C ATOM 983 C GLN A 62 26.856 34.944 6.126 1.00 0.00 C ATOM 984 O GLN A 62 27.359 34.887 7.248 1.00 0.00 O ATOM 985 CB GLN A 62 24.739 35.925 5.269 1.00 0.00 C ATOM 986 CG GLN A 62 23.293 35.614 4.885 1.00 0.00 C ATOM 987 CD GLN A 62 23.264 34.625 3.724 1.00 0.00 C ATOM 988 OE1 GLN A 62 24.211 34.559 2.939 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.228 33.849 3.567 1.00 0.00 N ATOM 0 H GLN A 62 24.237 35.130 7.637 1.00 0.00 H new ATOM 0 HA GLN A 62 25.263 33.837 5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 62 24.770 36.765 5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 62 25.306 36.220 4.386 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.762 35.198 5.741 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.777 36.532 4.605 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.445 33.906 4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.201 33.185 2.793 1.00 0.00 H new ATOM 998 N LYS A 63 27.554 35.197 5.020 1.00 0.00 N ATOM 999 CA LYS A 63 28.990 35.429 5.063 1.00 0.00 C ATOM 1000 C LYS A 63 29.349 36.637 5.921 1.00 0.00 C ATOM 1001 O LYS A 63 28.626 37.634 5.963 1.00 0.00 O ATOM 1002 CB LYS A 63 29.553 35.597 3.641 1.00 0.00 C ATOM 1003 CG LYS A 63 28.990 36.851 2.961 1.00 0.00 C ATOM 1004 CD LYS A 63 29.632 36.983 1.573 1.00 0.00 C ATOM 1005 CE LYS A 63 29.063 38.199 0.838 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.279 39.424 1.657 1.00 0.00 N ATOM 0 H LYS A 63 27.146 35.246 4.086 1.00 0.00 H new ATOM 0 HA LYS A 63 29.445 34.553 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.640 35.661 3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 63 29.309 34.717 3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.906 36.779 2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.202 37.735 3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.713 37.083 1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.448 36.079 0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.546 38.309 -0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 63 27.999 38.058 0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.147 40.267 1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.595 39.443 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.245 39.419 2.041 1.00 0.00 H new ATOM 1020 N GLU A 64 30.494 36.525 6.591 1.00 0.00 N ATOM 1021 CA GLU A 64 31.004 37.588 7.449 1.00 0.00 C ATOM 1022 C GLU A 64 30.016 37.954 8.555 1.00 0.00 C ATOM 1023 O GLU A 64 29.471 39.058 8.576 1.00 0.00 O ATOM 1024 CB GLU A 64 31.343 38.819 6.607 1.00 0.00 C ATOM 1025 CG GLU A 64 32.414 38.435 5.583 1.00 0.00 C ATOM 1026 CD GLU A 64 32.796 39.643 4.736 1.00 0.00 C ATOM 1027 OE1 GLU A 64 31.899 40.291 4.225 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.982 39.899 4.608 1.00 0.00 O ATOM 0 H GLU A 64 31.091 35.698 6.554 1.00 0.00 H new ATOM 0 HA GLU A 64 31.908 37.220 7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 64 30.451 39.187 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 64 31.703 39.626 7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.295 38.049 6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.043 37.636 4.942 1.00 0.00 H new HETATM 1035 N SEP A 65 29.822 37.027 9.496 1.00 0.00 N HETATM 1036 CA SEP A 65 28.936 37.242 10.641 1.00 0.00 C HETATM 1037 CB SEP A 65 27.662 36.405 10.486 1.00 0.00 C HETATM 1038 OG SEP A 65 26.918 36.873 9.364 1.00 0.00 O HETATM 1039 C SEP A 65 29.677 36.827 11.909 1.00 0.00 C HETATM 1040 O SEP A 65 30.687 36.121 11.829 1.00 0.00 O HETATM 1041 P SEP A 65 26.003 38.105 9.491 1.00 0.00 P HETATM 1042 O1P SEP A 65 25.293 37.963 10.881 1.00 0.00 O HETATM 1043 O2P SEP A 65 25.012 38.008 8.281 1.00 0.00 O HETATM 1044 O3P SEP A 65 26.961 39.342 9.407 1.00 0.00 O HETATM 0 HB3 SEP A 65 27.919 35.354 10.353 1.00 0.00 H new HETATM 0 HB2 SEP A 65 27.057 36.473 11.390 1.00 0.00 H new HETATM 0 HA SEP A 65 28.653 38.293 10.698 1.00 0.00 H new ATOM 1049 N THR A 66 29.196 37.253 13.077 1.00 0.00 N ATOM 1050 CA THR A 66 29.858 36.892 14.336 1.00 0.00 C ATOM 1051 C THR A 66 29.088 35.794 15.060 1.00 0.00 C ATOM 1052 O THR A 66 27.913 35.955 15.391 1.00 0.00 O ATOM 1053 CB THR A 66 29.969 38.120 15.243 1.00 0.00 C ATOM 1054 OG1 THR A 66 30.776 39.102 14.605 1.00 0.00 O ATOM 1055 CG2 THR A 66 30.613 37.716 16.571 1.00 0.00 C ATOM 0 H THR A 66 28.367 37.837 13.181 1.00 0.00 H new ATOM 0 HA THR A 66 30.856 36.522 14.099 1.00 0.00 H new ATOM 0 HB THR A 66 28.976 38.528 15.431 1.00 0.00 H new ATOM 0 HG1 THR A 66 30.848 39.891 15.182 1.00 0.00 H new ATOM 0 HG21 THR A 66 30.692 38.590 17.218 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.998 36.959 17.058 1.00 0.00 H new ATOM 0 HG23 THR A 66 31.608 37.311 16.385 1.00 0.00 H new ATOM 1063 N LEU A 67 29.771 34.674 15.314 1.00 0.00 N ATOM 1064 CA LEU A 67 29.162 33.540 16.012 1.00 0.00 C ATOM 1065 C LEU A 67 29.619 33.532 17.470 1.00 0.00 C ATOM 1066 O LEU A 67 30.749 33.938 17.770 1.00 0.00 O ATOM 1067 CB LEU A 67 29.580 32.230 15.332 1.00 0.00 C ATOM 1068 CG LEU A 67 28.841 31.037 15.961 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.326 31.158 15.711 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.371 29.731 15.343 1.00 0.00 C ATOM 0 H LEU A 67 30.745 34.529 15.047 1.00 0.00 H new ATOM 0 HA LEU A 67 28.077 33.633 15.974 1.00 0.00 H new ATOM 0 HB2 LEU A 67 29.360 32.281 14.266 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.657 32.091 15.429 1.00 0.00 H new ATOM 0 HG LEU A 67 29.016 31.031 17.037 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.814 30.308 16.161 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.956 32.082 16.157 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.134 31.171 14.638 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.850 28.882 15.785 1.00 0.00 H new ATOM 0 HD22 LEU A 67 29.199 29.742 14.267 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.440 29.643 15.539 1.00 0.00 H new ATOM 1082 N HIS A 68 28.753 33.075 18.385 1.00 0.00 N ATOM 1083 CA HIS A 68 29.111 33.035 19.802 1.00 0.00 C ATOM 1084 C HIS A 68 29.575 31.629 20.192 1.00 0.00 C ATOM 1085 O HIS A 68 28.825 30.663 20.046 1.00 0.00 O ATOM 1086 CB HIS A 68 27.902 33.431 20.652 1.00 0.00 C ATOM 1087 CG HIS A 68 27.508 34.850 20.337 1.00 0.00 C ATOM 1088 ND1 HIS A 68 28.293 35.935 20.701 1.00 0.00 N ATOM 1089 CD2 HIS A 68 26.416 35.379 19.694 1.00 0.00 C ATOM 1090 CE1 HIS A 68 27.667 37.049 20.279 1.00 0.00 C ATOM 1091 NE2 HIS A 68 26.518 36.767 19.659 1.00 0.00 N ATOM 0 H HIS A 68 27.816 32.734 18.171 1.00 0.00 H new ATOM 0 HA HIS A 68 29.925 33.738 19.979 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.068 32.758 20.452 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.142 33.336 21.711 1.00 0.00 H new ATOM 0 HD2 HIS A 68 25.601 34.805 19.278 1.00 0.00 H new ATOM 0 HE1 HIS A 68 28.047 38.049 20.424 1.00 0.00 H new ATOM 0 HE2 HIS A 68 25.857 37.427 19.248 1.00 0.00 H new ATOM 1100 N LEU A 69 30.810 31.513 20.697 1.00 0.00 N ATOM 1101 CA LEU A 69 31.355 30.236 21.112 1.00 0.00 C ATOM 1102 C LEU A 69 31.407 30.206 22.624 1.00 0.00 C ATOM 1103 O LEU A 69 32.202 30.903 23.255 1.00 0.00 O ATOM 1104 CB LEU A 69 32.759 30.056 20.525 1.00 0.00 C ATOM 1105 CG LEU A 69 33.228 28.601 20.696 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.511 28.382 19.888 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.498 28.293 22.184 1.00 0.00 C ATOM 0 H LEU A 69 31.446 32.300 20.824 1.00 0.00 H new ATOM 0 HA LEU A 69 30.726 29.422 20.751 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.755 30.322 19.468 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.457 30.731 21.021 1.00 0.00 H new ATOM 0 HG LEU A 69 32.445 27.933 20.336 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.845 27.351 20.008 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.315 28.580 18.834 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.287 29.059 20.246 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.829 27.260 22.287 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.273 28.961 22.559 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.583 28.440 22.758 1.00 0.00 H new ATOM 1119 N VAL A 70 30.543 29.389 23.191 1.00 0.00 N ATOM 1120 CA VAL A 70 30.452 29.232 24.641 1.00 0.00 C ATOM 1121 C VAL A 70 30.816 27.807 25.030 1.00 0.00 C ATOM 1122 O VAL A 70 30.539 26.862 24.293 1.00 0.00 O ATOM 1123 CB VAL A 70 29.029 29.553 25.098 1.00 0.00 C ATOM 1124 CG1 VAL A 70 28.986 29.645 26.623 1.00 0.00 C ATOM 1125 CG2 VAL A 70 28.597 30.893 24.495 1.00 0.00 C ATOM 0 H VAL A 70 29.883 28.814 22.668 1.00 0.00 H new ATOM 0 HA VAL A 70 31.148 29.917 25.125 1.00 0.00 H new ATOM 0 HB VAL A 70 28.354 28.764 24.766 1.00 0.00 H new ATOM 0 HG11 VAL A 70 27.970 29.874 26.945 1.00 0.00 H new ATOM 0 HG12 VAL A 70 29.298 28.693 27.054 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.660 30.433 26.959 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.583 31.127 24.818 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.275 31.678 24.830 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.626 30.829 23.407 1.00 0.00 H new ATOM 1135 N LEU A 71 31.449 27.656 26.188 1.00 0.00 N ATOM 1136 CA LEU A 71 31.859 26.335 26.663 1.00 0.00 C ATOM 1137 C LEU A 71 30.926 25.853 27.768 1.00 0.00 C ATOM 1138 O LEU A 71 30.039 26.581 28.214 1.00 0.00 O ATOM 1139 CB LEU A 71 33.303 26.392 27.192 1.00 0.00 C ATOM 1140 CG LEU A 71 33.583 27.780 27.814 1.00 0.00 C ATOM 1141 CD1 LEU A 71 34.599 27.642 28.953 1.00 0.00 C ATOM 1142 CD2 LEU A 71 34.147 28.726 26.742 1.00 0.00 C ATOM 0 H LEU A 71 31.689 28.425 26.813 1.00 0.00 H new ATOM 0 HA LEU A 71 31.807 25.635 25.829 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.457 25.612 27.938 1.00 0.00 H new ATOM 0 HB3 LEU A 71 34.005 26.200 26.380 1.00 0.00 H new ATOM 0 HG LEU A 71 32.651 28.188 28.205 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.793 28.622 29.388 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.199 26.978 29.719 1.00 0.00 H new ATOM 0 HD13 LEU A 71 35.529 27.228 28.563 1.00 0.00 H new ATOM 0 HD21 LEU A 71 34.343 29.703 27.185 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.075 28.315 26.346 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.423 28.833 25.934 1.00 0.00 H new ATOM 1154 N ARG A 72 31.145 24.621 28.205 1.00 0.00 N ATOM 1155 CA ARG A 72 30.332 24.040 29.262 1.00 0.00 C ATOM 1156 C ARG A 72 30.638 24.714 30.594 1.00 0.00 C ATOM 1157 O ARG A 72 29.732 25.023 31.367 1.00 0.00 O ATOM 1158 CB ARG A 72 30.613 22.541 29.369 1.00 0.00 C ATOM 1159 CG ARG A 72 29.657 21.913 30.385 1.00 0.00 C ATOM 1160 CD ARG A 72 29.792 20.390 30.337 1.00 0.00 C ATOM 1161 NE ARG A 72 29.028 19.781 31.419 1.00 0.00 N ATOM 1162 CZ ARG A 72 28.874 18.463 31.495 1.00 0.00 C ATOM 1163 NH1 ARG A 72 28.188 17.942 32.475 1.00 0.00 N ATOM 1164 NH2 ARG A 72 29.408 17.691 30.589 1.00 0.00 N ATOM 0 H ARG A 72 31.876 24.007 27.845 1.00 0.00 H new ATOM 0 HA ARG A 72 29.281 24.195 29.020 1.00 0.00 H new ATOM 0 HB2 ARG A 72 30.489 22.067 28.396 1.00 0.00 H new ATOM 0 HB3 ARG A 72 31.646 22.375 29.675 1.00 0.00 H new ATOM 0 HG2 ARG A 72 29.883 22.278 31.387 1.00 0.00 H new ATOM 0 HG3 ARG A 72 28.630 22.205 30.164 1.00 0.00 H new ATOM 0 HD2 ARG A 72 29.437 20.017 29.377 1.00 0.00 H new ATOM 0 HD3 ARG A 72 30.842 20.108 30.420 1.00 0.00 H new ATOM 0 HE ARG A 72 28.604 20.377 32.130 1.00 0.00 H new ATOM 0 HH11 ARG A 72 27.770 18.546 33.183 1.00 0.00 H new ATOM 0 HH12 ARG A 72 28.070 16.931 32.533 1.00 0.00 H new ATOM 0 HH21 ARG A 72 29.943 18.099 29.823 1.00 0.00 H new ATOM 0 HH22 ARG A 72 29.290 16.680 30.647 1.00 0.00 H new ATOM 1178 N LEU A 73 31.923 24.941 30.854 1.00 0.00 N ATOM 1179 CA LEU A 73 32.337 25.581 32.097 1.00 0.00 C ATOM 1180 C LEU A 73 32.140 27.093 32.005 1.00 0.00 C ATOM 1181 O LEU A 73 33.103 27.856 31.948 1.00 0.00 O ATOM 1182 CB LEU A 73 33.809 25.262 32.391 1.00 0.00 C ATOM 1183 CG LEU A 73 34.090 23.781 32.106 1.00 0.00 C ATOM 1184 CD1 LEU A 73 35.542 23.448 32.468 1.00 0.00 C ATOM 1185 CD2 LEU A 73 33.148 22.908 32.941 1.00 0.00 C ATOM 0 H LEU A 73 32.688 24.694 30.227 1.00 0.00 H new ATOM 0 HA LEU A 73 31.722 25.195 32.909 1.00 0.00 H new ATOM 0 HB2 LEU A 73 34.456 25.888 31.776 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.039 25.491 33.432 1.00 0.00 H new ATOM 0 HG LEU A 73 33.927 23.586 31.046 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.736 22.395 32.264 1.00 0.00 H new ATOM 0 HD12 LEU A 73 36.216 24.063 31.872 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.708 23.649 33.526 1.00 0.00 H new ATOM 0 HD21 LEU A 73 33.350 21.856 32.737 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.309 23.109 34.000 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.114 23.136 32.681 1.00 0.00 H new ATOM 1197 N ARG A 74 30.879 27.517 31.992 1.00 0.00 N ATOM 1198 CA ARG A 74 30.558 28.937 31.909 1.00 0.00 C ATOM 1199 C ARG A 74 31.237 29.709 33.034 1.00 0.00 C ATOM 1200 O ARG A 74 31.289 29.247 34.173 1.00 0.00 O ATOM 1201 CB ARG A 74 29.043 29.131 31.999 1.00 0.00 C ATOM 1202 CG ARG A 74 28.528 28.527 33.308 1.00 0.00 C ATOM 1203 CD ARG A 74 27.001 28.621 33.349 1.00 0.00 C ATOM 1204 NE ARG A 74 26.493 28.038 34.586 1.00 0.00 N ATOM 1205 CZ ARG A 74 26.575 28.693 35.739 1.00 0.00 C ATOM 1206 NH1 ARG A 74 26.114 28.151 36.833 1.00 0.00 N ATOM 1207 NH2 ARG A 74 27.118 29.880 35.778 1.00 0.00 N ATOM 0 H ARG A 74 30.068 26.901 32.038 1.00 0.00 H new ATOM 0 HA ARG A 74 30.921 29.318 30.954 1.00 0.00 H new ATOM 0 HB2 ARG A 74 28.798 30.192 31.955 1.00 0.00 H new ATOM 0 HB3 ARG A 74 28.554 28.655 31.149 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.841 27.486 33.388 1.00 0.00 H new ATOM 0 HG3 ARG A 74 28.958 29.056 34.159 1.00 0.00 H new ATOM 0 HD2 ARG A 74 26.692 29.664 33.276 1.00 0.00 H new ATOM 0 HD3 ARG A 74 26.574 28.101 32.491 1.00 0.00 H new ATOM 0 HE ARG A 74 26.067 27.111 34.565 1.00 0.00 H new ATOM 0 HH11 ARG A 74 25.690 27.224 36.803 1.00 0.00 H new ATOM 0 HH12 ARG A 74 26.177 28.655 37.718 1.00 0.00 H new ATOM 0 HH21 ARG A 74 27.479 30.304 34.923 1.00 0.00 H new ATOM 0 HH22 ARG A 74 27.181 30.383 36.663 1.00 0.00 H new ATOM 1221 N GLY A 75 31.754 30.891 32.709 1.00 0.00 N ATOM 1222 CA GLY A 75 32.426 31.724 33.703 1.00 0.00 C ATOM 1223 C GLY A 75 33.911 31.388 33.783 1.00 0.00 C ATOM 1224 O GLY A 75 34.735 32.250 34.089 1.00 0.00 O ATOM 0 H GLY A 75 31.721 31.292 31.772 1.00 0.00 H new ATOM 0 HA2 GLY A 75 32.301 32.776 33.446 1.00 0.00 H new ATOM 0 HA3 GLY A 75 31.963 31.577 34.679 1.00 0.00 H new ATOM 1228 N GLY A 76 34.247 30.132 33.507 1.00 0.00 N ATOM 1229 CA GLY A 76 35.637 29.696 33.552 1.00 0.00 C ATOM 1230 C GLY A 76 35.786 28.295 32.968 1.00 0.00 C ATOM 1231 O GLY A 76 36.203 27.411 33.699 1.00 0.00 O ATOM 1232 OXT GLY A 76 35.481 28.126 31.800 1.00 0.00 O ATOM 0 H GLY A 76 33.581 29.403 33.252 1.00 0.00 H new ATOM 0 HA2 GLY A 76 36.260 30.395 32.994 1.00 0.00 H new ATOM 0 HA3 GLY A 76 35.992 29.705 34.583 1.00 0.00 H new TER 1236 GLY A 76