USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 628 hydrogens (10 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 NoAdj-H: A 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Set 1.1: A 25 ASN : amide:sc= -6.28! C(o=-16!,f=-21!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -151:sc= -9.47! (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= -0.0359 (180deg=-0.779) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 117:sc= 0.862 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -155:sc= 0.963 (180deg=0.521) USER MOD Single : A 12 THR OG1 : rot 63:sc= 0.333 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.732 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 41 GLN : amide:sc= -3.4 X(o=-3.4,f=-3.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00775 K(o=-0.0077,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.309 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= -1.12 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 62 GLN : amide:sc= -0.0253 K(o=-0.025,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0958) USER MOD Single : A 68 HIS : no HE2:sc= -2.84! C(o=-2.8!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.462 27.494 3.063 1.00 0.00 N ATOM 2 CA MET A 1 27.373 28.506 2.965 1.00 0.00 C ATOM 3 C MET A 1 27.636 29.638 3.960 1.00 0.00 C ATOM 4 O MET A 1 28.664 29.681 4.607 1.00 0.00 O ATOM 5 CB MET A 1 26.030 27.846 3.287 1.00 0.00 C ATOM 6 CG MET A 1 25.773 26.705 2.301 1.00 0.00 C ATOM 7 SD MET A 1 24.207 25.895 2.713 1.00 0.00 S ATOM 8 CE MET A 1 24.324 24.549 1.510 1.00 0.00 C ATOM 0 H1 MET A 1 28.700 27.147 2.112 1.00 0.00 H new ATOM 0 H2 MET A 1 29.303 27.929 3.494 1.00 0.00 H new ATOM 0 H3 MET A 1 28.144 26.698 3.652 1.00 0.00 H new ATOM 0 HA MET A 1 27.345 28.911 1.953 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.036 27.464 4.308 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.228 28.581 3.226 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.738 27.091 1.282 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.590 25.984 2.341 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.443 23.912 1.590 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.381 24.964 0.504 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.218 23.959 1.710 1.00 0.00 H new ATOM 20 N GLN A 2 26.715 30.555 4.091 1.00 0.00 N ATOM 21 CA GLN A 2 26.915 31.681 5.046 1.00 0.00 C ATOM 22 C GLN A 2 26.583 31.210 6.462 1.00 0.00 C ATOM 23 O GLN A 2 25.453 31.288 6.902 1.00 0.00 O ATOM 24 CB GLN A 2 25.991 32.840 4.665 1.00 0.00 C ATOM 25 CG GLN A 2 26.324 33.313 3.249 1.00 0.00 C ATOM 26 CD GLN A 2 25.412 34.484 2.874 1.00 0.00 C ATOM 27 OE1 GLN A 2 24.562 34.878 3.647 1.00 0.00 O ATOM 28 NE2 GLN A 2 25.554 35.058 1.711 1.00 0.00 N ATOM 0 H GLN A 2 25.834 30.572 3.578 1.00 0.00 H new ATOM 0 HA GLN A 2 27.952 32.014 5.007 1.00 0.00 H new ATOM 0 HB2 GLN A 2 24.950 32.522 4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.110 33.661 5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.369 33.619 3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.193 32.495 2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 2 26.268 34.727 1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 2 24.951 35.838 1.450 1.00 0.00 H new ATOM 37 N ILE A 3 27.556 30.717 7.179 1.00 0.00 N ATOM 38 CA ILE A 3 27.283 30.237 8.563 1.00 0.00 C ATOM 39 C ILE A 3 27.055 31.435 9.484 1.00 0.00 C ATOM 40 O ILE A 3 27.845 32.356 9.532 1.00 0.00 O ATOM 41 CB ILE A 3 28.470 29.421 9.072 1.00 0.00 C ATOM 42 CG1 ILE A 3 28.716 28.245 8.124 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.160 28.889 10.475 1.00 0.00 C ATOM 44 CD1 ILE A 3 29.996 27.523 8.536 1.00 0.00 C ATOM 0 H ILE A 3 28.523 30.626 6.868 1.00 0.00 H new ATOM 0 HA ILE A 3 26.392 29.609 8.555 1.00 0.00 H new ATOM 0 HB ILE A 3 29.358 30.052 9.112 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.871 27.557 8.153 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.801 28.602 7.098 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.007 28.307 10.839 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.979 29.726 11.150 1.00 0.00 H new ATOM 0 HG23 ILE A 3 27.274 28.256 10.436 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.174 26.685 7.862 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.837 28.215 8.484 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.893 27.153 9.556 1.00 0.00 H new ATOM 56 N PHE A 4 25.969 31.433 10.206 1.00 0.00 N ATOM 57 CA PHE A 4 25.672 32.578 11.118 1.00 0.00 C ATOM 58 C PHE A 4 26.360 32.369 12.469 1.00 0.00 C ATOM 59 O PHE A 4 26.567 31.257 12.909 1.00 0.00 O ATOM 60 CB PHE A 4 24.160 32.674 11.330 1.00 0.00 C ATOM 61 CG PHE A 4 23.497 33.091 10.039 1.00 0.00 C ATOM 62 CD1 PHE A 4 23.039 32.118 9.142 1.00 0.00 C ATOM 63 CD2 PHE A 4 23.339 34.450 9.740 1.00 0.00 C ATOM 64 CE1 PHE A 4 22.426 32.504 7.944 1.00 0.00 C ATOM 65 CE2 PHE A 4 22.724 34.836 8.542 1.00 0.00 C ATOM 66 CZ PHE A 4 22.267 33.862 7.645 1.00 0.00 C ATOM 0 H PHE A 4 25.272 30.688 10.205 1.00 0.00 H new ATOM 0 HA PHE A 4 26.044 33.498 10.668 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.766 31.712 11.660 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.937 33.396 12.116 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.159 31.070 9.374 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.691 35.200 10.433 1.00 0.00 H new ATOM 0 HE1 PHE A 4 22.076 31.754 7.250 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.602 35.884 8.310 1.00 0.00 H new ATOM 0 HZ PHE A 4 21.792 34.159 6.722 1.00 0.00 H new ATOM 76 N VAL A 5 26.706 33.444 13.132 1.00 0.00 N ATOM 77 CA VAL A 5 27.374 33.331 14.467 1.00 0.00 C ATOM 78 C VAL A 5 26.833 34.418 15.398 1.00 0.00 C ATOM 79 O VAL A 5 27.213 35.568 15.310 1.00 0.00 O ATOM 80 CB VAL A 5 28.884 33.515 14.296 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.571 33.394 15.657 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.424 32.437 13.355 1.00 0.00 C ATOM 0 H VAL A 5 26.554 34.399 12.806 1.00 0.00 H new ATOM 0 HA VAL A 5 27.172 32.349 14.895 1.00 0.00 H new ATOM 0 HB VAL A 5 29.085 34.500 13.875 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.646 33.525 15.535 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.186 34.161 16.328 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.371 32.409 16.079 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.499 32.567 13.232 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.223 31.452 13.777 1.00 0.00 H new ATOM 0 HG23 VAL A 5 28.935 32.523 12.385 1.00 0.00 H new ATOM 92 N LYS A 6 25.946 34.062 16.292 1.00 0.00 N ATOM 93 CA LYS A 6 25.373 35.072 17.232 1.00 0.00 C ATOM 94 C LYS A 6 26.200 35.106 18.520 1.00 0.00 C ATOM 95 O LYS A 6 26.334 34.114 19.207 1.00 0.00 O ATOM 96 CB LYS A 6 23.930 34.687 17.565 1.00 0.00 C ATOM 97 CG LYS A 6 23.081 34.739 16.294 1.00 0.00 C ATOM 98 CD LYS A 6 21.640 34.344 16.624 1.00 0.00 C ATOM 99 CE LYS A 6 20.794 34.389 15.350 1.00 0.00 C ATOM 100 NZ LYS A 6 19.395 33.992 15.670 1.00 0.00 N ATOM 0 H LYS A 6 25.593 33.113 16.412 1.00 0.00 H new ATOM 0 HA LYS A 6 25.394 36.057 16.765 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.900 33.686 17.994 1.00 0.00 H new ATOM 0 HB3 LYS A 6 23.525 35.367 18.314 1.00 0.00 H new ATOM 0 HG2 LYS A 6 23.106 35.742 15.869 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.491 34.064 15.543 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.616 33.343 17.054 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.228 35.022 17.371 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.811 35.392 14.925 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.211 33.718 14.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.819 34.022 14.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.388 33.027 16.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.000 34.649 16.372 1.00 0.00 H new ATOM 114 N THR A 7 26.751 36.241 18.856 1.00 0.00 N ATOM 115 CA THR A 7 27.564 36.335 20.103 1.00 0.00 C ATOM 116 C THR A 7 26.636 36.571 21.297 1.00 0.00 C ATOM 117 O THR A 7 25.507 36.989 21.145 1.00 0.00 O ATOM 118 CB THR A 7 28.548 37.500 19.983 1.00 0.00 C ATOM 119 OG1 THR A 7 29.319 37.347 18.801 1.00 0.00 O ATOM 120 CG2 THR A 7 29.477 37.513 21.199 1.00 0.00 C ATOM 0 H THR A 7 26.674 37.106 18.322 1.00 0.00 H new ATOM 0 HA THR A 7 28.117 35.407 20.249 1.00 0.00 H new ATOM 0 HB THR A 7 27.995 38.438 19.939 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.134 38.092 18.191 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.178 38.343 21.113 1.00 0.00 H new ATOM 0 HG22 THR A 7 28.886 37.630 22.107 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.030 36.575 21.244 1.00 0.00 H new ATOM 128 N LEU A 8 27.104 36.298 22.485 1.00 0.00 N ATOM 129 CA LEU A 8 26.249 36.500 23.689 1.00 0.00 C ATOM 130 C LEU A 8 25.897 37.984 23.830 1.00 0.00 C ATOM 131 O LEU A 8 24.814 38.336 24.253 1.00 0.00 O ATOM 132 CB LEU A 8 27.013 36.026 24.933 1.00 0.00 C ATOM 133 CG LEU A 8 26.168 36.237 26.200 1.00 0.00 C ATOM 134 CD1 LEU A 8 24.844 35.462 26.095 1.00 0.00 C ATOM 135 CD2 LEU A 8 26.962 35.736 27.412 1.00 0.00 C ATOM 0 H LEU A 8 28.042 35.944 22.673 1.00 0.00 H new ATOM 0 HA LEU A 8 25.328 35.926 23.585 1.00 0.00 H new ATOM 0 HB2 LEU A 8 27.267 34.971 24.830 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.952 36.573 25.020 1.00 0.00 H new ATOM 0 HG LEU A 8 25.942 37.297 26.312 1.00 0.00 H new ATOM 0 HD11 LEU A 8 24.257 35.621 26.999 1.00 0.00 H new ATOM 0 HD12 LEU A 8 24.283 35.816 25.231 1.00 0.00 H new ATOM 0 HD13 LEU A 8 25.053 34.398 25.981 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.373 35.880 28.318 1.00 0.00 H new ATOM 0 HD22 LEU A 8 27.184 34.676 27.289 1.00 0.00 H new ATOM 0 HD23 LEU A 8 27.894 36.295 27.493 1.00 0.00 H new ATOM 147 N THR A 9 26.805 38.857 23.486 1.00 0.00 N ATOM 148 CA THR A 9 26.521 40.317 23.608 1.00 0.00 C ATOM 149 C THR A 9 25.651 40.775 22.435 1.00 0.00 C ATOM 150 O THR A 9 25.369 41.945 22.280 1.00 0.00 O ATOM 151 CB THR A 9 27.840 41.094 23.598 1.00 0.00 C ATOM 152 OG1 THR A 9 28.527 40.839 22.381 1.00 0.00 O ATOM 153 CG2 THR A 9 28.706 40.650 24.778 1.00 0.00 C ATOM 0 H THR A 9 27.730 38.623 23.126 1.00 0.00 H new ATOM 0 HA THR A 9 25.992 40.505 24.543 1.00 0.00 H new ATOM 0 HB THR A 9 27.635 42.161 23.684 1.00 0.00 H new ATOM 0 HG1 THR A 9 29.371 41.337 22.371 1.00 0.00 H new ATOM 0 HG21 THR A 9 29.645 41.204 24.769 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.178 40.846 25.711 1.00 0.00 H new ATOM 0 HG23 THR A 9 28.914 39.583 24.696 1.00 0.00 H new ATOM 161 N GLY A 10 25.222 39.858 21.608 1.00 0.00 N ATOM 162 CA GLY A 10 24.367 40.235 20.441 1.00 0.00 C ATOM 163 C GLY A 10 25.255 40.505 19.225 1.00 0.00 C ATOM 164 O GLY A 10 24.799 40.495 18.098 1.00 0.00 O ATOM 0 H GLY A 10 25.427 38.862 21.690 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.662 39.434 20.219 1.00 0.00 H new ATOM 0 HA3 GLY A 10 23.778 41.121 20.679 1.00 0.00 H new ATOM 168 N LYS A 11 26.519 40.741 19.442 1.00 0.00 N ATOM 169 CA LYS A 11 27.430 41.002 18.292 1.00 0.00 C ATOM 170 C LYS A 11 27.367 39.808 17.338 1.00 0.00 C ATOM 171 O LYS A 11 28.138 38.876 17.441 1.00 0.00 O ATOM 172 CB LYS A 11 28.863 41.183 18.799 1.00 0.00 C ATOM 173 CG LYS A 11 29.743 41.704 17.660 1.00 0.00 C ATOM 174 CD LYS A 11 31.164 41.933 18.178 1.00 0.00 C ATOM 175 CE LYS A 11 32.039 42.473 17.045 1.00 0.00 C ATOM 176 NZ LYS A 11 33.419 42.709 17.551 1.00 0.00 N ATOM 0 H LYS A 11 26.959 40.764 20.362 1.00 0.00 H new ATOM 0 HA LYS A 11 27.123 41.910 17.773 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.879 41.882 19.635 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.252 40.235 19.169 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.755 40.988 16.838 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.334 42.634 17.266 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.150 42.638 19.009 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.579 41.000 18.559 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.060 41.763 16.218 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.619 43.401 16.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.883 43.434 16.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.376 43.034 18.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.963 41.824 17.501 1.00 0.00 H new ATOM 190 N THR A 12 26.439 39.822 16.417 1.00 0.00 N ATOM 191 CA THR A 12 26.309 38.680 15.462 1.00 0.00 C ATOM 192 C THR A 12 27.112 38.965 14.194 1.00 0.00 C ATOM 193 O THR A 12 26.844 39.907 13.474 1.00 0.00 O ATOM 194 CB THR A 12 24.833 38.495 15.096 1.00 0.00 C ATOM 195 OG1 THR A 12 24.093 38.189 16.268 1.00 0.00 O ATOM 196 CG2 THR A 12 24.693 37.355 14.088 1.00 0.00 C ATOM 0 H THR A 12 25.764 40.576 16.284 1.00 0.00 H new ATOM 0 HA THR A 12 26.692 37.774 15.931 1.00 0.00 H new ATOM 0 HB THR A 12 24.450 39.414 14.653 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.146 38.941 16.894 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.642 37.225 13.829 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.262 37.592 13.189 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.075 36.433 14.526 1.00 0.00 H new ATOM 204 N ILE A 13 28.095 38.148 13.911 1.00 0.00 N ATOM 205 CA ILE A 13 28.930 38.340 12.687 1.00 0.00 C ATOM 206 C ILE A 13 28.531 37.293 11.645 1.00 0.00 C ATOM 207 O ILE A 13 28.020 36.240 11.977 1.00 0.00 O ATOM 208 CB ILE A 13 30.406 38.160 13.047 1.00 0.00 C ATOM 209 CG1 ILE A 13 30.815 39.228 14.063 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.261 38.303 11.785 1.00 0.00 C ATOM 211 CD1 ILE A 13 32.207 38.906 14.610 1.00 0.00 C ATOM 0 H ILE A 13 28.357 37.346 14.484 1.00 0.00 H new ATOM 0 HA ILE A 13 28.774 39.341 12.285 1.00 0.00 H new ATOM 0 HB ILE A 13 30.557 37.170 13.478 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.816 40.211 13.592 1.00 0.00 H new ATOM 0 HG13 ILE A 13 30.092 39.266 14.878 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.313 38.175 12.042 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.969 37.543 11.060 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.111 39.293 11.354 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.498 39.667 15.334 1.00 0.00 H new ATOM 0 HD12 ILE A 13 32.190 37.930 15.096 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.925 38.891 13.790 1.00 0.00 H new ATOM 223 N THR A 14 28.768 37.573 10.386 1.00 0.00 N ATOM 224 CA THR A 14 28.418 36.600 9.302 1.00 0.00 C ATOM 225 C THR A 14 29.705 36.160 8.601 1.00 0.00 C ATOM 226 O THR A 14 30.507 36.978 8.198 1.00 0.00 O ATOM 227 CB THR A 14 27.497 37.282 8.287 1.00 0.00 C ATOM 228 OG1 THR A 14 26.313 37.715 8.942 1.00 0.00 O ATOM 229 CG2 THR A 14 27.137 36.294 7.177 1.00 0.00 C ATOM 0 H THR A 14 29.193 38.441 10.060 1.00 0.00 H new ATOM 0 HA THR A 14 27.911 35.734 9.728 1.00 0.00 H new ATOM 0 HB THR A 14 28.007 38.141 7.852 1.00 0.00 H new ATOM 0 HG1 THR A 14 25.723 38.154 8.294 1.00 0.00 H new ATOM 0 HG21 THR A 14 26.481 36.781 6.455 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.046 35.963 6.676 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.626 35.433 7.608 1.00 0.00 H new ATOM 237 N LEU A 15 29.907 34.872 8.454 1.00 0.00 N ATOM 238 CA LEU A 15 31.145 34.364 7.776 1.00 0.00 C ATOM 239 C LEU A 15 30.758 33.628 6.494 1.00 0.00 C ATOM 240 O LEU A 15 30.123 32.589 6.530 1.00 0.00 O ATOM 241 CB LEU A 15 31.870 33.388 8.710 1.00 0.00 C ATOM 242 CG LEU A 15 31.989 33.989 10.114 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.653 32.973 11.047 1.00 0.00 C ATOM 244 CD2 LEU A 15 32.842 35.260 10.061 1.00 0.00 C ATOM 0 H LEU A 15 29.266 34.147 8.775 1.00 0.00 H new ATOM 0 HA LEU A 15 31.797 35.204 7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.326 32.445 8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.862 33.165 8.316 1.00 0.00 H new ATOM 0 HG LEU A 15 30.995 34.235 10.486 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.739 33.399 12.047 1.00 0.00 H new ATOM 0 HD12 LEU A 15 32.048 32.068 11.089 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.646 32.728 10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 15 32.924 35.685 11.061 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.836 35.016 9.687 1.00 0.00 H new ATOM 0 HD23 LEU A 15 32.373 35.985 9.396 1.00 0.00 H new ATOM 256 N GLU A 16 31.133 34.157 5.355 1.00 0.00 N ATOM 257 CA GLU A 16 30.795 33.494 4.058 1.00 0.00 C ATOM 258 C GLU A 16 32.015 32.714 3.557 1.00 0.00 C ATOM 259 O GLU A 16 33.032 33.283 3.215 1.00 0.00 O ATOM 260 CB GLU A 16 30.402 34.563 3.030 1.00 0.00 C ATOM 261 CG GLU A 16 31.282 35.803 3.213 1.00 0.00 C ATOM 262 CD GLU A 16 30.983 36.808 2.099 1.00 0.00 C ATOM 263 OE1 GLU A 16 29.824 36.947 1.748 1.00 0.00 O ATOM 264 OE2 GLU A 16 31.920 37.423 1.617 1.00 0.00 O ATOM 0 H GLU A 16 31.662 35.025 5.268 1.00 0.00 H new ATOM 0 HA GLU A 16 29.961 32.807 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 16 30.517 34.170 2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 16 29.352 34.829 3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.093 36.256 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.335 35.522 3.191 1.00 0.00 H new ATOM 271 N VAL A 17 31.912 31.417 3.500 1.00 0.00 N ATOM 272 CA VAL A 17 33.054 30.600 3.008 1.00 0.00 C ATOM 273 C VAL A 17 32.553 29.204 2.641 1.00 0.00 C ATOM 274 O VAL A 17 31.554 28.745 3.157 1.00 0.00 O ATOM 275 CB VAL A 17 34.124 30.489 4.093 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.509 29.908 5.369 1.00 0.00 C ATOM 277 CG2 VAL A 17 35.244 29.570 3.603 1.00 0.00 C ATOM 0 H VAL A 17 31.085 30.886 3.773 1.00 0.00 H new ATOM 0 HA VAL A 17 33.487 31.079 2.130 1.00 0.00 H new ATOM 0 HB VAL A 17 34.527 31.479 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 17 34.276 29.831 6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.709 30.561 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.104 28.918 5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 17 36.010 29.487 4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.837 28.582 3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.685 29.985 2.696 1.00 0.00 H new ATOM 287 N GLU A 18 33.235 28.530 1.750 1.00 0.00 N ATOM 288 CA GLU A 18 32.799 27.158 1.341 1.00 0.00 C ATOM 289 C GLU A 18 32.368 26.361 2.586 1.00 0.00 C ATOM 290 O GLU A 18 32.879 26.580 3.665 1.00 0.00 O ATOM 291 CB GLU A 18 33.970 26.447 0.657 1.00 0.00 C ATOM 292 CG GLU A 18 34.282 27.138 -0.672 1.00 0.00 C ATOM 293 CD GLU A 18 33.143 26.886 -1.660 1.00 0.00 C ATOM 294 OE1 GLU A 18 32.418 25.924 -1.467 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.014 27.660 -2.595 1.00 0.00 O ATOM 0 H GLU A 18 34.077 28.871 1.286 1.00 0.00 H new ATOM 0 HA GLU A 18 31.957 27.229 0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.848 26.465 1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.723 25.399 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.411 28.209 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 18 35.220 26.760 -1.079 1.00 0.00 H new ATOM 302 N PRO A 19 31.428 25.455 2.449 1.00 0.00 N ATOM 303 CA PRO A 19 30.928 24.644 3.600 1.00 0.00 C ATOM 304 C PRO A 19 31.964 23.629 4.100 1.00 0.00 C ATOM 305 O PRO A 19 31.919 23.198 5.232 1.00 0.00 O ATOM 306 CB PRO A 19 29.689 23.933 3.032 1.00 0.00 C ATOM 307 CG PRO A 19 29.943 23.842 1.562 1.00 0.00 C ATOM 308 CD PRO A 19 30.734 25.099 1.194 1.00 0.00 C ATOM 0 HA PRO A 19 30.710 25.265 4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.563 22.945 3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.779 24.495 3.242 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.506 22.941 1.318 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.007 23.793 1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.440 24.906 0.387 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.077 25.901 0.858 1.00 0.00 H new ATOM 316 N SER A 20 32.894 23.240 3.274 1.00 0.00 N ATOM 317 CA SER A 20 33.910 22.250 3.727 1.00 0.00 C ATOM 318 C SER A 20 34.921 22.932 4.652 1.00 0.00 C ATOM 319 O SER A 20 35.999 22.429 4.894 1.00 0.00 O ATOM 320 CB SER A 20 34.623 21.656 2.513 1.00 0.00 C ATOM 321 OG SER A 20 34.886 22.687 1.570 1.00 0.00 O ATOM 0 H SER A 20 32.995 23.562 2.311 1.00 0.00 H new ATOM 0 HA SER A 20 33.416 21.448 4.276 1.00 0.00 H new ATOM 0 HB2 SER A 20 35.555 21.182 2.820 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.006 20.881 2.058 1.00 0.00 H new ATOM 0 HG SER A 20 35.345 22.309 0.791 1.00 0.00 H new ATOM 327 N ASP A 21 34.568 24.071 5.182 1.00 0.00 N ATOM 328 CA ASP A 21 35.492 24.778 6.104 1.00 0.00 C ATOM 329 C ASP A 21 35.621 23.946 7.386 1.00 0.00 C ATOM 330 O ASP A 21 34.655 23.399 7.881 1.00 0.00 O ATOM 331 CB ASP A 21 34.924 26.182 6.418 1.00 0.00 C ATOM 332 CG ASP A 21 35.740 27.267 5.699 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.274 26.975 4.641 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.818 28.364 6.223 1.00 0.00 O ATOM 0 H ASP A 21 33.678 24.540 5.014 1.00 0.00 H new ATOM 0 HA ASP A 21 36.476 24.899 5.650 1.00 0.00 H new ATOM 0 HB2 ASP A 21 33.881 26.237 6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.944 26.357 7.494 1.00 0.00 H new ATOM 339 N THR A 22 36.804 23.841 7.925 1.00 0.00 N ATOM 340 CA THR A 22 36.990 23.039 9.171 1.00 0.00 C ATOM 341 C THR A 22 36.726 23.919 10.392 1.00 0.00 C ATOM 342 O THR A 22 37.027 25.096 10.401 1.00 0.00 O ATOM 343 CB THR A 22 38.426 22.513 9.225 1.00 0.00 C ATOM 344 OG1 THR A 22 39.326 23.608 9.333 1.00 0.00 O ATOM 345 CG2 THR A 22 38.731 21.723 7.951 1.00 0.00 C ATOM 0 H THR A 22 37.651 24.275 7.558 1.00 0.00 H new ATOM 0 HA THR A 22 36.292 22.202 9.171 1.00 0.00 H new ATOM 0 HB THR A 22 38.542 21.860 10.090 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.245 23.290 9.209 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.754 21.349 7.991 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.041 20.883 7.869 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.616 22.373 7.084 1.00 0.00 H new ATOM 353 N ILE A 23 36.158 23.357 11.423 1.00 0.00 N ATOM 354 CA ILE A 23 35.865 24.161 12.646 1.00 0.00 C ATOM 355 C ILE A 23 37.107 24.972 13.028 1.00 0.00 C ATOM 356 O ILE A 23 37.031 26.152 13.302 1.00 0.00 O ATOM 357 CB ILE A 23 35.494 23.228 13.803 1.00 0.00 C ATOM 358 CG1 ILE A 23 34.440 22.209 13.343 1.00 0.00 C ATOM 359 CG2 ILE A 23 34.932 24.050 14.964 1.00 0.00 C ATOM 360 CD1 ILE A 23 33.275 22.927 12.654 1.00 0.00 C ATOM 0 H ILE A 23 35.884 22.376 11.473 1.00 0.00 H new ATOM 0 HA ILE A 23 35.032 24.834 12.444 1.00 0.00 H new ATOM 0 HB ILE A 23 36.388 22.696 14.129 1.00 0.00 H new ATOM 0 HG12 ILE A 23 34.892 21.492 12.657 1.00 0.00 H new ATOM 0 HG13 ILE A 23 34.073 21.643 14.199 1.00 0.00 H new ATOM 0 HG21 ILE A 23 34.668 23.385 15.787 1.00 0.00 H new ATOM 0 HG22 ILE A 23 35.683 24.764 15.301 1.00 0.00 H new ATOM 0 HG23 ILE A 23 34.043 24.587 14.633 1.00 0.00 H new ATOM 0 HD11 ILE A 23 32.535 22.194 12.333 1.00 0.00 H new ATOM 0 HD12 ILE A 23 32.814 23.626 13.352 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.646 23.473 11.786 1.00 0.00 H new ATOM 372 N GLU A 24 38.249 24.344 13.043 1.00 0.00 N ATOM 373 CA GLU A 24 39.498 25.071 13.403 1.00 0.00 C ATOM 374 C GLU A 24 39.698 26.248 12.448 1.00 0.00 C ATOM 375 O GLU A 24 40.168 27.301 12.835 1.00 0.00 O ATOM 376 CB GLU A 24 40.691 24.119 13.294 1.00 0.00 C ATOM 377 CG GLU A 24 40.654 23.399 11.945 1.00 0.00 C ATOM 378 CD GLU A 24 41.818 22.410 11.861 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.586 22.350 12.807 1.00 0.00 O ATOM 380 OE2 GLU A 24 41.921 21.730 10.854 1.00 0.00 O ATOM 0 H GLU A 24 38.372 23.356 12.821 1.00 0.00 H new ATOM 0 HA GLU A 24 39.420 25.442 14.425 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.623 24.675 13.395 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.664 23.392 14.106 1.00 0.00 H new ATOM 0 HG2 GLU A 24 39.707 22.873 11.828 1.00 0.00 H new ATOM 0 HG3 GLU A 24 40.719 24.123 11.133 1.00 0.00 H new ATOM 387 N ASN A 25 39.345 26.086 11.201 1.00 0.00 N ATOM 388 CA ASN A 25 39.515 27.202 10.230 1.00 0.00 C ATOM 389 C ASN A 25 38.557 28.328 10.604 1.00 0.00 C ATOM 390 O ASN A 25 38.931 29.481 10.668 1.00 0.00 O ATOM 391 CB ASN A 25 39.200 26.703 8.818 1.00 0.00 C ATOM 392 CG ASN A 25 39.397 27.844 7.817 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.505 28.643 7.605 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.534 27.954 7.188 1.00 0.00 N ATOM 0 H ASN A 25 38.947 25.230 10.814 1.00 0.00 H new ATOM 0 HA ASN A 25 40.542 27.567 10.257 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.850 25.866 8.563 1.00 0.00 H new ATOM 0 HB3 ASN A 25 38.175 26.337 8.771 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.675 28.710 6.518 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.282 27.284 7.366 1.00 0.00 H new ATOM 401 N VAL A 26 37.323 28.000 10.864 1.00 0.00 N ATOM 402 CA VAL A 26 36.344 29.050 11.252 1.00 0.00 C ATOM 403 C VAL A 26 36.882 29.783 12.476 1.00 0.00 C ATOM 404 O VAL A 26 37.152 30.967 12.436 1.00 0.00 O ATOM 405 CB VAL A 26 35.009 28.391 11.596 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.950 29.468 11.807 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.584 27.470 10.451 1.00 0.00 C ATOM 0 H VAL A 26 36.951 27.051 10.824 1.00 0.00 H new ATOM 0 HA VAL A 26 36.197 29.752 10.432 1.00 0.00 H new ATOM 0 HB VAL A 26 35.117 27.806 12.509 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.997 28.998 12.052 1.00 0.00 H new ATOM 0 HG12 VAL A 26 34.254 30.122 12.625 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.841 30.055 10.895 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.632 27.000 10.696 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.476 28.053 9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 26 35.341 26.700 10.303 1.00 0.00 H new ATOM 417 N LYS A 27 37.034 29.078 13.567 1.00 0.00 N ATOM 418 CA LYS A 27 37.553 29.702 14.817 1.00 0.00 C ATOM 419 C LYS A 27 38.708 30.654 14.487 1.00 0.00 C ATOM 420 O LYS A 27 38.932 31.632 15.171 1.00 0.00 O ATOM 421 CB LYS A 27 38.053 28.596 15.750 1.00 0.00 C ATOM 422 CG LYS A 27 36.864 27.794 16.283 1.00 0.00 C ATOM 423 CD LYS A 27 37.329 26.885 17.424 1.00 0.00 C ATOM 424 CE LYS A 27 36.116 26.228 18.084 1.00 0.00 C ATOM 425 NZ LYS A 27 36.571 25.362 19.208 1.00 0.00 N ATOM 0 H LYS A 27 36.817 28.084 13.644 1.00 0.00 H new ATOM 0 HA LYS A 27 36.757 30.268 15.301 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.738 27.938 15.215 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.611 29.031 16.579 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.086 28.470 16.637 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.427 27.196 15.483 1.00 0.00 H new ATOM 0 HD2 LYS A 27 38.005 26.121 17.041 1.00 0.00 H new ATOM 0 HD3 LYS A 27 37.887 27.464 18.160 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.431 26.992 18.453 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.567 25.635 17.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.747 24.915 19.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 37.208 24.626 18.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 37.076 25.940 19.909 1.00 0.00 H new ATOM 439 N ALA A 28 39.437 30.378 13.442 1.00 0.00 N ATOM 440 CA ALA A 28 40.568 31.274 13.070 1.00 0.00 C ATOM 441 C ALA A 28 40.011 32.627 12.614 1.00 0.00 C ATOM 442 O ALA A 28 40.333 33.661 13.166 1.00 0.00 O ATOM 443 CB ALA A 28 41.367 30.630 11.932 1.00 0.00 C ATOM 0 H ALA A 28 39.300 29.573 12.831 1.00 0.00 H new ATOM 0 HA ALA A 28 41.221 31.425 13.929 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.196 31.281 11.656 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.757 29.667 12.261 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.717 30.483 11.069 1.00 0.00 H new ATOM 449 N LYS A 29 39.176 32.627 11.608 1.00 0.00 N ATOM 450 CA LYS A 29 38.599 33.912 11.118 1.00 0.00 C ATOM 451 C LYS A 29 38.004 34.680 12.302 1.00 0.00 C ATOM 452 O LYS A 29 37.935 35.890 12.298 1.00 0.00 O ATOM 453 CB LYS A 29 37.500 33.617 10.084 1.00 0.00 C ATOM 454 CG LYS A 29 38.127 33.340 8.713 1.00 0.00 C ATOM 455 CD LYS A 29 38.951 32.052 8.772 1.00 0.00 C ATOM 456 CE LYS A 29 39.312 31.613 7.352 1.00 0.00 C ATOM 457 NZ LYS A 29 40.169 30.395 7.412 1.00 0.00 N ATOM 0 H LYS A 29 38.870 31.794 11.106 1.00 0.00 H new ATOM 0 HA LYS A 29 39.379 34.513 10.651 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.911 32.757 10.403 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.817 34.464 10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.347 33.249 7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.761 34.176 8.417 1.00 0.00 H new ATOM 0 HD2 LYS A 29 39.857 32.214 9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 29 38.384 31.268 9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.406 31.406 6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.837 32.415 6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 40.797 30.372 6.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.741 30.416 8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.567 29.547 7.414 1.00 0.00 H new ATOM 471 N ILE A 30 37.580 33.985 13.316 1.00 0.00 N ATOM 472 CA ILE A 30 36.999 34.674 14.499 1.00 0.00 C ATOM 473 C ILE A 30 38.138 35.172 15.396 1.00 0.00 C ATOM 474 O ILE A 30 38.314 36.356 15.592 1.00 0.00 O ATOM 475 CB ILE A 30 36.114 33.684 15.260 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.858 33.402 14.433 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.709 34.278 16.611 1.00 0.00 C ATOM 478 CD1 ILE A 30 34.095 32.223 15.037 1.00 0.00 C ATOM 0 H ILE A 30 37.610 32.967 13.378 1.00 0.00 H new ATOM 0 HA ILE A 30 36.396 35.527 14.187 1.00 0.00 H new ATOM 0 HB ILE A 30 36.666 32.759 15.428 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.221 34.286 14.410 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.133 33.180 13.402 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.079 33.568 17.147 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.603 34.486 17.199 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.156 35.204 16.450 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.201 32.026 14.445 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.732 31.339 15.037 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.806 32.462 16.060 1.00 0.00 H new ATOM 490 N GLN A 31 38.901 34.266 15.943 1.00 0.00 N ATOM 491 CA GLN A 31 40.033 34.638 16.838 1.00 0.00 C ATOM 492 C GLN A 31 40.753 35.891 16.318 1.00 0.00 C ATOM 493 O GLN A 31 41.036 36.807 17.060 1.00 0.00 O ATOM 494 CB GLN A 31 41.013 33.466 16.874 1.00 0.00 C ATOM 495 CG GLN A 31 42.220 33.834 17.731 1.00 0.00 C ATOM 496 CD GLN A 31 43.095 32.597 17.944 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.836 31.551 17.381 1.00 0.00 O ATOM 498 NE2 GLN A 31 44.127 32.670 18.739 1.00 0.00 N ATOM 0 H GLN A 31 38.785 33.262 15.804 1.00 0.00 H new ATOM 0 HA GLN A 31 39.651 34.857 17.835 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.523 32.581 17.280 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.335 33.217 15.863 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.797 34.621 17.245 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.890 34.228 18.692 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.345 33.547 19.212 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.715 31.850 18.888 1.00 0.00 H new ATOM 507 N ASP A 32 41.060 35.927 15.053 1.00 0.00 N ATOM 508 CA ASP A 32 41.777 37.114 14.492 1.00 0.00 C ATOM 509 C ASP A 32 40.845 38.333 14.448 1.00 0.00 C ATOM 510 O ASP A 32 41.169 39.395 14.939 1.00 0.00 O ATOM 511 CB ASP A 32 42.254 36.792 13.073 1.00 0.00 C ATOM 512 CG ASP A 32 43.024 37.987 12.509 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.095 38.271 13.020 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.529 38.599 11.576 1.00 0.00 O ATOM 0 H ASP A 32 40.848 35.190 14.381 1.00 0.00 H new ATOM 0 HA ASP A 32 42.630 37.345 15.131 1.00 0.00 H new ATOM 0 HB2 ASP A 32 42.891 35.908 13.084 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.401 36.562 12.435 1.00 0.00 H new ATOM 519 N LYS A 33 39.704 38.189 13.838 1.00 0.00 N ATOM 520 CA LYS A 33 38.761 39.337 13.726 1.00 0.00 C ATOM 521 C LYS A 33 38.357 39.850 15.113 1.00 0.00 C ATOM 522 O LYS A 33 38.268 41.042 15.333 1.00 0.00 O ATOM 523 CB LYS A 33 37.512 38.891 12.967 1.00 0.00 C ATOM 524 CG LYS A 33 37.881 38.436 11.543 1.00 0.00 C ATOM 525 CD LYS A 33 38.009 39.639 10.595 1.00 0.00 C ATOM 526 CE LYS A 33 36.652 40.345 10.413 1.00 0.00 C ATOM 527 NZ LYS A 33 36.571 40.905 9.034 1.00 0.00 N ATOM 0 H LYS A 33 39.381 37.322 13.409 1.00 0.00 H new ATOM 0 HA LYS A 33 39.258 40.145 13.189 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.026 38.075 13.502 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.796 39.711 12.919 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.821 37.885 11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.120 37.752 11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 33 38.739 40.344 10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 33 38.382 39.305 9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 33 35.837 39.641 10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.542 41.142 11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 35.656 41.383 8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 37.342 41.589 8.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 36.659 40.135 8.341 1.00 0.00 H new ATOM 541 N GLU A 34 38.105 38.978 16.053 1.00 0.00 N ATOM 542 CA GLU A 34 37.701 39.444 17.414 1.00 0.00 C ATOM 543 C GLU A 34 38.940 39.600 18.300 1.00 0.00 C ATOM 544 O GLU A 34 38.984 40.443 19.175 1.00 0.00 O ATOM 545 CB GLU A 34 36.748 38.424 18.045 1.00 0.00 C ATOM 546 CG GLU A 34 35.697 38.004 17.015 1.00 0.00 C ATOM 547 CD GLU A 34 34.995 39.246 16.465 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.686 40.127 17.251 1.00 0.00 O ATOM 549 OE2 GLU A 34 34.779 39.297 15.265 1.00 0.00 O ATOM 0 H GLU A 34 38.161 37.966 15.939 1.00 0.00 H new ATOM 0 HA GLU A 34 37.198 40.407 17.326 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.306 37.552 18.388 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.263 38.856 18.920 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.169 37.451 16.203 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.969 37.336 17.475 1.00 0.00 H new ATOM 556 N GLY A 35 39.948 38.797 18.089 1.00 0.00 N ATOM 557 CA GLY A 35 41.174 38.906 18.930 1.00 0.00 C ATOM 558 C GLY A 35 40.931 38.204 20.266 1.00 0.00 C ATOM 559 O GLY A 35 41.577 38.485 21.256 1.00 0.00 O ATOM 0 H GLY A 35 39.975 38.072 17.372 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.023 38.454 18.417 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.423 39.954 19.096 1.00 0.00 H new ATOM 563 N ILE A 36 39.986 37.302 20.300 1.00 0.00 N ATOM 564 CA ILE A 36 39.657 36.574 21.551 1.00 0.00 C ATOM 565 C ILE A 36 40.178 35.127 21.464 1.00 0.00 C ATOM 566 O ILE A 36 39.575 34.299 20.810 1.00 0.00 O ATOM 567 CB ILE A 36 38.144 36.549 21.682 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.609 37.969 21.498 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.766 36.035 23.066 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.097 37.958 21.655 1.00 0.00 C ATOM 0 H ILE A 36 39.419 37.037 19.494 1.00 0.00 H new ATOM 0 HA ILE A 36 40.117 37.065 22.409 1.00 0.00 H new ATOM 0 HB ILE A 36 37.714 35.893 20.925 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.058 38.638 22.233 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.882 38.348 20.513 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.681 36.016 23.163 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.160 35.028 23.200 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.187 36.693 23.826 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.710 38.969 21.525 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.658 37.302 20.904 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.837 37.596 22.650 1.00 0.00 H new ATOM 582 N PRO A 37 41.279 34.809 22.107 1.00 0.00 N ATOM 583 CA PRO A 37 41.844 33.426 22.070 1.00 0.00 C ATOM 584 C PRO A 37 40.763 32.351 22.336 1.00 0.00 C ATOM 585 O PRO A 37 40.136 32.361 23.376 1.00 0.00 O ATOM 586 CB PRO A 37 42.880 33.440 23.204 1.00 0.00 C ATOM 587 CG PRO A 37 43.333 34.860 23.281 1.00 0.00 C ATOM 588 CD PRO A 37 42.110 35.711 22.928 1.00 0.00 C ATOM 0 HA PRO A 37 42.263 33.176 21.095 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.441 33.112 24.146 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.712 32.769 22.989 1.00 0.00 H new ATOM 0 HG2 PRO A 37 43.700 35.099 24.279 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.152 35.047 22.587 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.580 36.040 23.822 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.392 36.608 22.376 1.00 0.00 H new ATOM 596 N PRO A 38 40.543 31.426 21.421 1.00 0.00 N ATOM 597 CA PRO A 38 39.524 30.348 21.602 1.00 0.00 C ATOM 598 C PRO A 38 39.499 29.783 23.025 1.00 0.00 C ATOM 599 O PRO A 38 38.533 29.181 23.449 1.00 0.00 O ATOM 600 CB PRO A 38 39.970 29.290 20.608 1.00 0.00 C ATOM 601 CG PRO A 38 40.514 30.084 19.477 1.00 0.00 C ATOM 602 CD PRO A 38 41.215 31.289 20.116 1.00 0.00 C ATOM 0 HA PRO A 38 38.510 30.712 21.440 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.725 28.631 21.036 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.139 28.660 20.293 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.213 29.494 18.884 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.718 30.405 18.805 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.285 31.116 20.232 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.101 32.188 19.510 1.00 0.00 H new ATOM 610 N ASP A 39 40.562 29.964 23.757 1.00 0.00 N ATOM 611 CA ASP A 39 40.612 29.431 25.148 1.00 0.00 C ATOM 612 C ASP A 39 39.502 30.061 25.990 1.00 0.00 C ATOM 613 O ASP A 39 38.858 29.400 26.780 1.00 0.00 O ATOM 614 CB ASP A 39 41.970 29.759 25.768 1.00 0.00 C ATOM 615 CG ASP A 39 43.051 28.895 25.116 1.00 0.00 C ATOM 616 OD1 ASP A 39 42.693 27.953 24.428 1.00 0.00 O ATOM 617 OD2 ASP A 39 44.218 29.189 25.316 1.00 0.00 O ATOM 0 H ASP A 39 41.400 30.459 23.452 1.00 0.00 H new ATOM 0 HA ASP A 39 40.470 28.351 25.123 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.200 30.815 25.628 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.944 29.578 26.843 1.00 0.00 H new ATOM 622 N GLN A 40 39.284 31.336 25.839 1.00 0.00 N ATOM 623 CA GLN A 40 38.234 32.035 26.631 1.00 0.00 C ATOM 624 C GLN A 40 36.894 32.001 25.890 1.00 0.00 C ATOM 625 O GLN A 40 35.983 32.733 26.224 1.00 0.00 O ATOM 626 CB GLN A 40 38.658 33.488 26.834 1.00 0.00 C ATOM 627 CG GLN A 40 39.999 33.532 27.569 1.00 0.00 C ATOM 628 CD GLN A 40 40.342 34.981 27.919 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.575 35.659 28.572 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.474 35.486 27.509 1.00 0.00 N ATOM 0 H GLN A 40 39.797 31.933 25.190 1.00 0.00 H new ATOM 0 HA GLN A 40 38.117 31.534 27.592 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.743 33.991 25.871 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.900 34.022 27.407 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.948 32.930 28.476 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.782 33.102 26.945 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.118 34.916 26.961 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.715 36.451 27.737 1.00 0.00 H new ATOM 639 N GLN A 41 36.765 31.170 24.883 1.00 0.00 N ATOM 640 CA GLN A 41 35.477 31.101 24.114 1.00 0.00 C ATOM 641 C GLN A 41 35.028 29.647 23.962 1.00 0.00 C ATOM 642 O GLN A 41 35.821 28.755 23.743 1.00 0.00 O ATOM 643 CB GLN A 41 35.685 31.704 22.725 1.00 0.00 C ATOM 644 CG GLN A 41 36.121 33.162 22.862 1.00 0.00 C ATOM 645 CD GLN A 41 36.317 33.769 21.473 1.00 0.00 C ATOM 646 OE1 GLN A 41 37.137 33.308 20.705 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.590 34.793 21.113 1.00 0.00 N ATOM 0 H GLN A 41 37.495 30.536 24.559 1.00 0.00 H new ATOM 0 HA GLN A 41 34.713 31.658 24.656 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.440 31.137 22.180 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.762 31.642 22.148 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.370 33.727 23.414 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.048 33.223 23.431 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.901 35.181 21.757 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.711 35.205 20.188 1.00 0.00 H new ATOM 656 N ARG A 42 33.742 29.418 24.053 1.00 0.00 N ATOM 657 CA ARG A 42 33.186 28.041 23.889 1.00 0.00 C ATOM 658 C ARG A 42 32.000 28.135 22.935 1.00 0.00 C ATOM 659 O ARG A 42 31.080 28.895 23.163 1.00 0.00 O ATOM 660 CB ARG A 42 32.711 27.508 25.250 1.00 0.00 C ATOM 661 CG ARG A 42 33.923 27.176 26.150 1.00 0.00 C ATOM 662 CD ARG A 42 34.345 25.707 25.962 1.00 0.00 C ATOM 663 NE ARG A 42 34.046 25.273 24.567 1.00 0.00 N ATOM 664 CZ ARG A 42 34.675 24.251 24.051 1.00 0.00 C ATOM 665 NH1 ARG A 42 34.412 23.874 22.830 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.566 23.608 24.756 1.00 0.00 N ATOM 0 H ARG A 42 33.044 30.139 24.237 1.00 0.00 H new ATOM 0 HA ARG A 42 33.945 27.365 23.496 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.080 28.250 25.738 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.101 26.616 25.106 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.757 27.835 25.906 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.669 27.357 27.194 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.410 25.595 26.168 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.815 25.072 26.672 1.00 0.00 H new ATOM 0 HE ARG A 42 33.350 25.775 24.015 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.716 24.377 22.280 1.00 0.00 H new ATOM 0 HH12 ARG A 42 34.902 23.076 22.426 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.771 23.904 25.710 1.00 0.00 H new ATOM 0 HH22 ARG A 42 36.057 22.810 24.352 1.00 0.00 H new ATOM 680 N LEU A 43 32.002 27.397 21.857 1.00 0.00 N ATOM 681 CA LEU A 43 30.866 27.492 20.898 1.00 0.00 C ATOM 682 C LEU A 43 29.761 26.509 21.292 1.00 0.00 C ATOM 683 O LEU A 43 30.021 25.454 21.832 1.00 0.00 O ATOM 684 CB LEU A 43 31.360 27.146 19.495 1.00 0.00 C ATOM 685 CG LEU A 43 32.669 27.884 19.182 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.912 27.840 17.679 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.584 29.346 19.622 1.00 0.00 C ATOM 0 H LEU A 43 32.736 26.737 21.601 1.00 0.00 H new ATOM 0 HA LEU A 43 30.470 28.507 20.917 1.00 0.00 H new ATOM 0 HB2 LEU A 43 31.515 26.070 19.414 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.601 27.415 18.760 1.00 0.00 H new ATOM 0 HG LEU A 43 33.483 27.399 19.720 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.840 28.362 17.445 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.987 26.803 17.353 1.00 0.00 H new ATOM 0 HD13 LEU A 43 32.083 28.324 17.162 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.522 29.851 19.391 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.768 29.838 19.094 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.402 29.393 20.696 1.00 0.00 H new ATOM 699 N ILE A 44 28.531 26.847 20.998 1.00 0.00 N ATOM 700 CA ILE A 44 27.378 25.945 21.320 1.00 0.00 C ATOM 701 C ILE A 44 26.591 25.701 20.031 1.00 0.00 C ATOM 702 O ILE A 44 26.312 26.619 19.285 1.00 0.00 O ATOM 703 CB ILE A 44 26.464 26.623 22.348 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.230 26.861 23.663 1.00 0.00 C ATOM 705 CG2 ILE A 44 25.238 25.734 22.614 1.00 0.00 C ATOM 706 CD1 ILE A 44 27.802 25.546 24.222 1.00 0.00 C ATOM 0 H ILE A 44 28.271 27.722 20.542 1.00 0.00 H new ATOM 0 HA ILE A 44 27.741 25.004 21.732 1.00 0.00 H new ATOM 0 HB ILE A 44 26.135 27.584 21.952 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.041 27.569 23.491 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.564 27.312 24.398 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.590 26.217 23.345 1.00 0.00 H new ATOM 0 HG22 ILE A 44 24.689 25.584 21.685 1.00 0.00 H new ATOM 0 HG23 ILE A 44 25.565 24.769 23.002 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.337 25.747 25.150 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.987 24.849 24.417 1.00 0.00 H new ATOM 0 HD13 ILE A 44 28.488 25.110 23.496 1.00 0.00 H new ATOM 718 N PHE A 45 26.242 24.472 19.748 1.00 0.00 N ATOM 719 CA PHE A 45 25.489 24.182 18.494 1.00 0.00 C ATOM 720 C PHE A 45 24.517 23.016 18.715 1.00 0.00 C ATOM 721 O PHE A 45 24.913 21.900 18.985 1.00 0.00 O ATOM 722 CB PHE A 45 26.490 23.816 17.392 1.00 0.00 C ATOM 723 CG PHE A 45 25.756 23.297 16.178 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.356 24.179 15.170 1.00 0.00 C ATOM 725 CD2 PHE A 45 25.475 21.931 16.069 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.675 23.696 14.047 1.00 0.00 C ATOM 727 CE2 PHE A 45 24.794 21.446 14.947 1.00 0.00 C ATOM 728 CZ PHE A 45 24.394 22.327 13.936 1.00 0.00 C ATOM 0 H PHE A 45 26.446 23.660 20.330 1.00 0.00 H new ATOM 0 HA PHE A 45 24.915 25.062 18.203 1.00 0.00 H new ATOM 0 HB2 PHE A 45 27.082 24.690 17.123 1.00 0.00 H new ATOM 0 HB3 PHE A 45 27.185 23.060 17.757 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.573 25.233 15.258 1.00 0.00 H new ATOM 0 HD2 PHE A 45 25.783 21.252 16.850 1.00 0.00 H new ATOM 0 HE1 PHE A 45 24.366 24.377 13.267 1.00 0.00 H new ATOM 0 HE2 PHE A 45 24.577 20.392 14.861 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.869 21.952 13.070 1.00 0.00 H new ATOM 738 N ALA A 46 23.246 23.274 18.573 1.00 0.00 N ATOM 739 CA ALA A 46 22.227 22.199 18.737 1.00 0.00 C ATOM 740 C ALA A 46 22.399 21.468 20.073 1.00 0.00 C ATOM 741 O ALA A 46 21.947 20.350 20.227 1.00 0.00 O ATOM 742 CB ALA A 46 22.372 21.193 17.593 1.00 0.00 C ATOM 0 H ALA A 46 22.866 24.194 18.348 1.00 0.00 H new ATOM 0 HA ALA A 46 21.238 22.657 18.721 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.629 20.403 17.707 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.219 21.701 16.641 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.371 20.758 17.616 1.00 0.00 H new ATOM 748 N GLY A 47 23.027 22.073 21.049 1.00 0.00 N ATOM 749 CA GLY A 47 23.194 21.386 22.369 1.00 0.00 C ATOM 750 C GLY A 47 24.545 20.672 22.430 1.00 0.00 C ATOM 751 O GLY A 47 24.907 20.106 23.441 1.00 0.00 O ATOM 0 H GLY A 47 23.430 23.008 20.991 1.00 0.00 H new ATOM 0 HA2 GLY A 47 23.123 22.114 23.177 1.00 0.00 H new ATOM 0 HA3 GLY A 47 22.388 20.667 22.517 1.00 0.00 H new ATOM 755 N LYS A 48 25.297 20.695 21.355 1.00 0.00 N ATOM 756 CA LYS A 48 26.637 20.020 21.341 1.00 0.00 C ATOM 757 C LYS A 48 27.699 21.031 20.912 1.00 0.00 C ATOM 758 O LYS A 48 27.422 21.958 20.179 1.00 0.00 O ATOM 759 CB LYS A 48 26.615 18.862 20.348 1.00 0.00 C ATOM 760 CG LYS A 48 25.438 17.926 20.652 1.00 0.00 C ATOM 761 CD LYS A 48 25.690 17.163 21.958 1.00 0.00 C ATOM 762 CE LYS A 48 24.717 15.986 22.057 1.00 0.00 C ATOM 763 NZ LYS A 48 24.963 15.244 23.327 1.00 0.00 N ATOM 0 H LYS A 48 25.040 21.155 20.481 1.00 0.00 H new ATOM 0 HA LYS A 48 26.866 19.640 22.336 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.530 19.246 19.332 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.553 18.309 20.402 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.517 18.503 20.732 1.00 0.00 H new ATOM 0 HG3 LYS A 48 25.303 17.222 19.831 1.00 0.00 H new ATOM 0 HD2 LYS A 48 26.718 16.802 21.988 1.00 0.00 H new ATOM 0 HD3 LYS A 48 25.560 17.829 22.811 1.00 0.00 H new ATOM 0 HE2 LYS A 48 23.689 16.347 22.027 1.00 0.00 H new ATOM 0 HE3 LYS A 48 24.846 15.321 21.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 24.302 14.444 23.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 25.940 14.888 23.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 24.819 15.882 24.135 1.00 0.00 H new ATOM 777 N GLN A 49 28.919 20.862 21.353 1.00 0.00 N ATOM 778 CA GLN A 49 29.998 21.810 20.966 1.00 0.00 C ATOM 779 C GLN A 49 30.696 21.296 19.705 1.00 0.00 C ATOM 780 O GLN A 49 30.522 20.159 19.313 1.00 0.00 O ATOM 781 CB GLN A 49 31.010 21.912 22.097 1.00 0.00 C ATOM 782 CG GLN A 49 30.332 22.483 23.345 1.00 0.00 C ATOM 783 CD GLN A 49 31.303 22.424 24.525 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.086 21.503 24.638 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.285 23.378 25.416 1.00 0.00 N ATOM 0 H GLN A 49 29.212 20.103 21.968 1.00 0.00 H new ATOM 0 HA GLN A 49 29.568 22.793 20.771 1.00 0.00 H new ATOM 0 HB2 GLN A 49 31.426 20.929 22.315 1.00 0.00 H new ATOM 0 HB3 GLN A 49 31.841 22.551 21.798 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.024 23.513 23.165 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.430 21.915 23.574 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.627 24.152 25.321 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.929 23.349 26.207 1.00 0.00 H new ATOM 794 N LEU A 50 31.491 22.116 19.069 1.00 0.00 N ATOM 795 CA LEU A 50 32.206 21.667 17.835 1.00 0.00 C ATOM 796 C LEU A 50 33.619 21.211 18.211 1.00 0.00 C ATOM 797 O LEU A 50 34.351 21.914 18.878 1.00 0.00 O ATOM 798 CB LEU A 50 32.295 22.833 16.848 1.00 0.00 C ATOM 799 CG LEU A 50 30.899 23.419 16.608 1.00 0.00 C ATOM 800 CD1 LEU A 50 31.017 24.642 15.693 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.997 22.368 15.943 1.00 0.00 C ATOM 0 H LEU A 50 31.677 23.079 19.350 1.00 0.00 H new ATOM 0 HA LEU A 50 31.663 20.841 17.375 1.00 0.00 H new ATOM 0 HB2 LEU A 50 32.960 23.603 17.240 1.00 0.00 H new ATOM 0 HB3 LEU A 50 32.723 22.492 15.905 1.00 0.00 H new ATOM 0 HG LEU A 50 30.461 23.712 17.562 1.00 0.00 H new ATOM 0 HD11 LEU A 50 30.027 25.063 15.519 1.00 0.00 H new ATOM 0 HD12 LEU A 50 31.652 25.391 16.167 1.00 0.00 H new ATOM 0 HD13 LEU A 50 31.457 24.343 14.741 1.00 0.00 H new ATOM 0 HD21 LEU A 50 29.007 22.792 15.776 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.430 22.069 14.988 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.914 21.497 16.593 1.00 0.00 H new ATOM 813 N GLU A 51 34.003 20.030 17.792 1.00 0.00 N ATOM 814 CA GLU A 51 35.366 19.509 18.125 1.00 0.00 C ATOM 815 C GLU A 51 36.298 19.675 16.920 1.00 0.00 C ATOM 816 O GLU A 51 35.858 19.784 15.793 1.00 0.00 O ATOM 817 CB GLU A 51 35.265 18.025 18.481 1.00 0.00 C ATOM 818 CG GLU A 51 34.327 17.849 19.676 1.00 0.00 C ATOM 819 CD GLU A 51 34.950 18.498 20.914 1.00 0.00 C ATOM 820 OE1 GLU A 51 34.696 19.670 21.135 1.00 0.00 O ATOM 821 OE2 GLU A 51 35.669 17.810 21.620 1.00 0.00 O ATOM 0 H GLU A 51 33.428 19.401 17.231 1.00 0.00 H new ATOM 0 HA GLU A 51 35.767 20.069 18.970 1.00 0.00 H new ATOM 0 HB2 GLU A 51 34.893 17.460 17.627 1.00 0.00 H new ATOM 0 HB3 GLU A 51 36.252 17.629 18.719 1.00 0.00 H new ATOM 0 HG2 GLU A 51 33.359 18.303 19.462 1.00 0.00 H new ATOM 0 HG3 GLU A 51 34.148 16.789 19.859 1.00 0.00 H new ATOM 828 N ASP A 52 37.583 19.691 17.155 1.00 0.00 N ATOM 829 CA ASP A 52 38.550 19.845 16.030 1.00 0.00 C ATOM 830 C ASP A 52 38.699 18.507 15.301 1.00 0.00 C ATOM 831 O ASP A 52 38.442 17.456 15.854 1.00 0.00 O ATOM 832 CB ASP A 52 39.910 20.279 16.584 1.00 0.00 C ATOM 833 CG ASP A 52 39.829 21.732 17.055 1.00 0.00 C ATOM 834 OD1 ASP A 52 38.857 22.389 16.724 1.00 0.00 O ATOM 835 OD2 ASP A 52 40.741 22.162 17.742 1.00 0.00 O ATOM 0 H ASP A 52 38.005 19.604 18.079 1.00 0.00 H new ATOM 0 HA ASP A 52 38.183 20.600 15.334 1.00 0.00 H new ATOM 0 HB2 ASP A 52 40.200 19.633 17.412 1.00 0.00 H new ATOM 0 HB3 ASP A 52 40.677 20.177 15.816 1.00 0.00 H new ATOM 840 N GLY A 53 39.109 18.536 14.061 1.00 0.00 N ATOM 841 CA GLY A 53 39.270 17.265 13.293 1.00 0.00 C ATOM 842 C GLY A 53 37.932 16.890 12.655 1.00 0.00 C ATOM 843 O GLY A 53 37.651 15.734 12.409 1.00 0.00 O ATOM 0 H GLY A 53 39.340 19.385 13.545 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.032 17.385 12.523 1.00 0.00 H new ATOM 0 HA3 GLY A 53 39.608 16.467 13.954 1.00 0.00 H new ATOM 847 N ARG A 54 37.106 17.865 12.388 1.00 0.00 N ATOM 848 CA ARG A 54 35.778 17.581 11.766 1.00 0.00 C ATOM 849 C ARG A 54 35.375 18.746 10.861 1.00 0.00 C ATOM 850 O ARG A 54 35.673 19.892 11.137 1.00 0.00 O ATOM 851 CB ARG A 54 34.729 17.401 12.866 1.00 0.00 C ATOM 852 CG ARG A 54 35.176 16.293 13.822 1.00 0.00 C ATOM 853 CD ARG A 54 34.022 15.918 14.754 1.00 0.00 C ATOM 854 NE ARG A 54 33.035 15.084 14.011 1.00 0.00 N ATOM 855 CZ ARG A 54 32.072 14.483 14.655 1.00 0.00 C ATOM 856 NH1 ARG A 54 31.208 13.754 14.004 1.00 0.00 N ATOM 857 NH2 ARG A 54 31.973 14.611 15.950 1.00 0.00 N ATOM 0 H ARG A 54 37.293 18.850 12.574 1.00 0.00 H new ATOM 0 HA ARG A 54 35.843 16.669 11.172 1.00 0.00 H new ATOM 0 HB2 ARG A 54 34.595 18.335 13.412 1.00 0.00 H new ATOM 0 HB3 ARG A 54 33.764 17.149 12.425 1.00 0.00 H new ATOM 0 HG2 ARG A 54 35.497 15.419 13.256 1.00 0.00 H new ATOM 0 HG3 ARG A 54 36.034 16.627 14.406 1.00 0.00 H new ATOM 0 HD2 ARG A 54 34.401 15.370 15.617 1.00 0.00 H new ATOM 0 HD3 ARG A 54 33.540 16.819 15.134 1.00 0.00 H new ATOM 0 HE ARG A 54 33.112 14.983 12.999 1.00 0.00 H new ATOM 0 HH11 ARG A 54 31.285 13.654 12.992 1.00 0.00 H new ATOM 0 HH12 ARG A 54 30.455 13.284 14.507 1.00 0.00 H new ATOM 0 HH21 ARG A 54 32.648 15.181 16.459 1.00 0.00 H new ATOM 0 HH22 ARG A 54 31.220 14.141 16.453 1.00 0.00 H new ATOM 871 N THR A 55 34.675 18.458 9.792 1.00 0.00 N ATOM 872 CA THR A 55 34.203 19.524 8.855 1.00 0.00 C ATOM 873 C THR A 55 32.678 19.436 8.780 1.00 0.00 C ATOM 874 O THR A 55 32.086 18.522 9.316 1.00 0.00 O ATOM 875 CB THR A 55 34.809 19.281 7.467 1.00 0.00 C ATOM 876 OG1 THR A 55 36.223 19.372 7.550 1.00 0.00 O ATOM 877 CG2 THR A 55 34.288 20.323 6.474 1.00 0.00 C ATOM 0 H THR A 55 34.406 17.511 9.524 1.00 0.00 H new ATOM 0 HA THR A 55 34.507 20.511 9.203 1.00 0.00 H new ATOM 0 HB THR A 55 34.522 18.288 7.121 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.613 19.215 6.665 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.725 20.140 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.202 20.251 6.407 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.565 21.321 6.815 1.00 0.00 H new ATOM 885 N LEU A 56 32.023 20.362 8.133 1.00 0.00 N ATOM 886 CA LEU A 56 30.535 20.287 8.054 1.00 0.00 C ATOM 887 C LEU A 56 30.130 19.072 7.208 1.00 0.00 C ATOM 888 O LEU A 56 29.367 18.227 7.639 1.00 0.00 O ATOM 889 CB LEU A 56 29.991 21.564 7.405 1.00 0.00 C ATOM 890 CG LEU A 56 29.985 22.713 8.419 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.413 22.994 8.902 1.00 0.00 C ATOM 892 CD2 LEU A 56 29.419 23.973 7.755 1.00 0.00 C ATOM 0 H LEU A 56 32.448 21.160 7.660 1.00 0.00 H new ATOM 0 HA LEU A 56 30.123 20.187 9.058 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.604 21.832 6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.980 21.390 7.035 1.00 0.00 H new ATOM 0 HG LEU A 56 29.366 22.434 9.272 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.399 23.812 9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.819 22.100 9.376 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.037 23.270 8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 56 29.414 24.792 8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.039 24.244 6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 56 28.401 23.780 7.417 1.00 0.00 H new ATOM 904 N SER A 57 30.646 18.970 6.011 1.00 0.00 N ATOM 905 CA SER A 57 30.292 17.802 5.157 1.00 0.00 C ATOM 906 C SER A 57 30.764 16.529 5.857 1.00 0.00 C ATOM 907 O SER A 57 30.055 15.545 5.934 1.00 0.00 O ATOM 908 CB SER A 57 30.986 17.931 3.800 1.00 0.00 C ATOM 909 OG SER A 57 30.654 16.807 2.995 1.00 0.00 O ATOM 0 H SER A 57 31.292 19.639 5.592 1.00 0.00 H new ATOM 0 HA SER A 57 29.214 17.764 5.001 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.676 18.852 3.306 1.00 0.00 H new ATOM 0 HB3 SER A 57 32.066 17.990 3.935 1.00 0.00 H new ATOM 0 HG SER A 57 31.096 16.887 2.124 1.00 0.00 H new ATOM 915 N ASP A 58 31.959 16.554 6.371 1.00 0.00 N ATOM 916 CA ASP A 58 32.494 15.358 7.073 1.00 0.00 C ATOM 917 C ASP A 58 31.581 15.006 8.251 1.00 0.00 C ATOM 918 O ASP A 58 31.512 13.866 8.668 1.00 0.00 O ATOM 919 CB ASP A 58 33.904 15.648 7.591 1.00 0.00 C ATOM 920 CG ASP A 58 34.497 14.378 8.200 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.313 14.174 9.388 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.124 13.630 7.469 1.00 0.00 O ATOM 0 H ASP A 58 32.591 17.354 6.335 1.00 0.00 H new ATOM 0 HA ASP A 58 32.532 14.520 6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.536 16.002 6.777 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.872 16.441 8.338 1.00 0.00 H new ATOM 927 N TYR A 59 30.878 15.966 8.796 1.00 0.00 N ATOM 928 CA TYR A 59 29.981 15.647 9.945 1.00 0.00 C ATOM 929 C TYR A 59 28.756 14.893 9.410 1.00 0.00 C ATOM 930 O TYR A 59 28.080 14.195 10.139 1.00 0.00 O ATOM 931 CB TYR A 59 29.545 16.971 10.631 1.00 0.00 C ATOM 932 CG TYR A 59 29.991 17.002 12.082 1.00 0.00 C ATOM 933 CD1 TYR A 59 31.041 17.841 12.480 1.00 0.00 C ATOM 934 CD2 TYR A 59 29.349 16.192 13.026 1.00 0.00 C ATOM 935 CE1 TYR A 59 31.446 17.871 13.819 1.00 0.00 C ATOM 936 CE2 TYR A 59 29.754 16.221 14.366 1.00 0.00 C ATOM 937 CZ TYR A 59 30.802 17.060 14.763 1.00 0.00 C ATOM 938 OH TYR A 59 31.200 17.089 16.083 1.00 0.00 O ATOM 0 H TYR A 59 30.886 16.942 8.500 1.00 0.00 H new ATOM 0 HA TYR A 59 30.497 15.026 10.677 1.00 0.00 H new ATOM 0 HB2 TYR A 59 29.972 17.820 10.097 1.00 0.00 H new ATOM 0 HB3 TYR A 59 28.461 17.073 10.577 1.00 0.00 H new ATOM 0 HD1 TYR A 59 31.538 18.465 11.752 1.00 0.00 H new ATOM 0 HD2 TYR A 59 28.541 15.544 12.721 1.00 0.00 H new ATOM 0 HE1 TYR A 59 32.254 18.519 14.125 1.00 0.00 H new ATOM 0 HE2 TYR A 59 29.258 15.596 15.094 1.00 0.00 H new ATOM 0 HH TYR A 59 30.515 16.665 16.641 1.00 0.00 H new ATOM 948 N ASN A 60 28.469 15.033 8.143 1.00 0.00 N ATOM 949 CA ASN A 60 27.290 14.330 7.558 1.00 0.00 C ATOM 950 C ASN A 60 26.028 14.697 8.343 1.00 0.00 C ATOM 951 O ASN A 60 25.353 13.845 8.885 1.00 0.00 O ATOM 952 CB ASN A 60 27.510 12.815 7.620 1.00 0.00 C ATOM 953 CG ASN A 60 28.862 12.469 6.991 1.00 0.00 C ATOM 954 OD1 ASN A 60 29.148 12.873 5.881 1.00 0.00 O ATOM 955 ND2 ASN A 60 29.709 11.734 7.657 1.00 0.00 N ATOM 0 H ASN A 60 29.001 15.605 7.487 1.00 0.00 H new ATOM 0 HA ASN A 60 27.170 14.636 6.519 1.00 0.00 H new ATOM 0 HB2 ASN A 60 27.481 12.475 8.655 1.00 0.00 H new ATOM 0 HB3 ASN A 60 26.708 12.299 7.092 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.612 11.498 7.246 1.00 0.00 H new ATOM 0 HD22 ASN A 60 29.468 11.395 8.589 1.00 0.00 H new ATOM 962 N ILE A 61 25.700 15.960 8.405 1.00 0.00 N ATOM 963 CA ILE A 61 24.480 16.378 9.151 1.00 0.00 C ATOM 964 C ILE A 61 23.238 15.879 8.405 1.00 0.00 C ATOM 965 O ILE A 61 23.153 15.965 7.197 1.00 0.00 O ATOM 966 CB ILE A 61 24.437 17.905 9.250 1.00 0.00 C ATOM 967 CG1 ILE A 61 25.730 18.407 9.899 1.00 0.00 C ATOM 968 CG2 ILE A 61 23.244 18.330 10.107 1.00 0.00 C ATOM 969 CD1 ILE A 61 25.791 19.934 9.801 1.00 0.00 C ATOM 0 H ILE A 61 26.225 16.719 7.971 1.00 0.00 H new ATOM 0 HA ILE A 61 24.501 15.953 10.154 1.00 0.00 H new ATOM 0 HB ILE A 61 24.337 18.330 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.769 18.097 10.943 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.594 17.965 9.403 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.215 19.417 10.176 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.322 17.971 9.650 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.344 17.905 11.106 1.00 0.00 H new ATOM 0 HD11 ILE A 61 26.711 20.292 10.263 1.00 0.00 H new ATOM 0 HD12 ILE A 61 25.771 20.232 8.753 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.934 20.366 10.317 1.00 0.00 H new ATOM 981 N GLN A 62 22.281 15.349 9.116 1.00 0.00 N ATOM 982 CA GLN A 62 21.053 14.835 8.445 1.00 0.00 C ATOM 983 C GLN A 62 20.309 15.986 7.759 1.00 0.00 C ATOM 984 O GLN A 62 19.999 15.921 6.587 1.00 0.00 O ATOM 985 CB GLN A 62 20.138 14.190 9.488 1.00 0.00 C ATOM 986 CG GLN A 62 20.765 12.886 9.981 1.00 0.00 C ATOM 987 CD GLN A 62 19.963 12.351 11.171 1.00 0.00 C ATOM 988 OE1 GLN A 62 19.362 13.111 11.903 1.00 0.00 O ATOM 989 NE2 GLN A 62 19.929 11.066 11.394 1.00 0.00 N ATOM 0 H GLN A 62 22.296 15.250 10.131 1.00 0.00 H new ATOM 0 HA GLN A 62 21.338 14.096 7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 62 19.986 14.872 10.325 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.157 13.993 9.055 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.778 12.150 9.177 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.801 13.056 10.274 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.434 10.428 10.779 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.397 10.699 12.184 1.00 0.00 H new ATOM 998 N LYS A 63 20.008 17.031 8.481 1.00 0.00 N ATOM 999 CA LYS A 63 19.272 18.173 7.865 1.00 0.00 C ATOM 1000 C LYS A 63 20.196 18.937 6.914 1.00 0.00 C ATOM 1001 O LYS A 63 19.749 19.505 5.938 1.00 0.00 O ATOM 1002 CB LYS A 63 18.784 19.120 8.966 1.00 0.00 C ATOM 1003 CG LYS A 63 18.083 18.322 10.070 1.00 0.00 C ATOM 1004 CD LYS A 63 16.842 17.624 9.503 1.00 0.00 C ATOM 1005 CE LYS A 63 15.921 17.201 10.649 1.00 0.00 C ATOM 1006 NZ LYS A 63 16.623 16.205 11.508 1.00 0.00 N ATOM 0 H LYS A 63 20.239 17.144 9.468 1.00 0.00 H new ATOM 0 HA LYS A 63 18.419 17.788 7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.627 19.671 9.383 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.098 19.856 8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.767 17.583 10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.796 18.987 10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.313 18.295 8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.138 16.752 8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.636 18.071 11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.002 16.771 10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.935 15.742 12.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.079 15.489 10.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.345 16.688 12.080 1.00 0.00 H new ATOM 1020 N GLU A 64 21.479 18.947 7.200 1.00 0.00 N ATOM 1021 CA GLU A 64 22.477 19.668 6.335 1.00 0.00 C ATOM 1022 C GLU A 64 21.850 20.911 5.690 1.00 0.00 C ATOM 1023 O GLU A 64 21.648 20.967 4.493 1.00 0.00 O ATOM 1024 CB GLU A 64 23.003 18.727 5.242 1.00 0.00 C ATOM 1025 CG GLU A 64 21.842 17.983 4.574 1.00 0.00 C ATOM 1026 CD GLU A 64 22.373 17.180 3.385 1.00 0.00 C ATOM 1027 OE1 GLU A 64 23.528 16.787 3.428 1.00 0.00 O ATOM 1028 OE2 GLU A 64 21.616 16.970 2.452 1.00 0.00 O ATOM 0 H GLU A 64 21.885 18.478 8.010 1.00 0.00 H new ATOM 0 HA GLU A 64 23.305 19.988 6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.555 19.299 4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.701 18.011 5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.361 17.318 5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 64 21.085 18.692 4.239 1.00 0.00 H new HETATM 1035 N SEP A 65 21.544 21.911 6.476 1.00 0.00 N HETATM 1036 CA SEP A 65 20.930 23.155 5.914 1.00 0.00 C HETATM 1037 CB SEP A 65 19.411 23.074 6.045 1.00 0.00 C HETATM 1038 OG SEP A 65 18.823 24.188 5.384 1.00 0.00 O HETATM 1039 C SEP A 65 21.446 24.368 6.693 1.00 0.00 C HETATM 1040 O SEP A 65 22.592 24.420 7.090 1.00 0.00 O HETATM 1041 P SEP A 65 17.327 24.490 5.571 1.00 0.00 P HETATM 1042 O1P SEP A 65 17.242 25.374 6.861 1.00 0.00 O HETATM 1043 O2P SEP A 65 16.895 25.251 4.270 1.00 0.00 O HETATM 1044 O3P SEP A 65 16.639 23.093 5.730 1.00 0.00 O HETATM 0 HB3 SEP A 65 19.046 22.144 5.610 1.00 0.00 H new HETATM 0 HB2 SEP A 65 19.125 23.068 7.097 1.00 0.00 H new HETATM 0 HA SEP A 65 21.199 23.255 4.862 1.00 0.00 H new HETATM 1049 N TPO A 66 20.609 25.346 6.915 1.00 0.00 N HETATM 1050 CA TPO A 66 21.056 26.552 7.667 1.00 0.00 C HETATM 1051 CB TPO A 66 19.842 27.423 8.009 1.00 0.00 C HETATM 1052 CG2 TPO A 66 18.928 26.672 8.979 1.00 0.00 C HETATM 1053 OG1 TPO A 66 20.284 28.633 8.609 1.00 0.00 O HETATM 1054 P TPO A 66 19.286 29.773 8.861 1.00 0.00 P HETATM 1055 O1P TPO A 66 20.167 31.046 9.105 1.00 0.00 O HETATM 1056 O2P TPO A 66 18.466 29.337 10.122 1.00 0.00 O HETATM 1057 O3P TPO A 66 18.421 29.861 7.557 1.00 0.00 O HETATM 1058 C TPO A 66 21.752 26.115 8.959 1.00 0.00 C HETATM 1059 O TPO A 66 21.243 25.297 9.699 1.00 0.00 O HETATM 0 HG23 TPO A 66 18.589 25.745 8.516 1.00 0.00 H new HETATM 0 HG22 TPO A 66 19.477 26.442 9.892 1.00 0.00 H new HETATM 0 HG21 TPO A 66 18.065 27.293 9.221 1.00 0.00 H new HETATM 0 HB TPO A 66 19.289 27.650 7.098 1.00 0.00 H new HETATM 0 HA TPO A 66 21.751 27.126 7.054 1.00 0.00 H new HETATM 0 H TPO A 66 19.619 25.212 6.708 1.00 0.00 H new ATOM 1066 N LEU A 67 22.918 26.652 9.230 1.00 0.00 N ATOM 1067 CA LEU A 67 23.671 26.273 10.471 1.00 0.00 C ATOM 1068 C LEU A 67 23.775 27.483 11.400 1.00 0.00 C ATOM 1069 O LEU A 67 24.367 28.492 11.064 1.00 0.00 O ATOM 1070 CB LEU A 67 25.079 25.815 10.085 1.00 0.00 C ATOM 1071 CG LEU A 67 24.996 24.817 8.927 1.00 0.00 C ATOM 1072 CD1 LEU A 67 26.407 24.364 8.543 1.00 0.00 C ATOM 1073 CD2 LEU A 67 24.165 23.598 9.350 1.00 0.00 C ATOM 0 H LEU A 67 23.385 27.342 8.641 1.00 0.00 H new ATOM 0 HA LEU A 67 23.145 25.467 10.982 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.685 26.674 9.795 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.570 25.353 10.942 1.00 0.00 H new ATOM 0 HG LEU A 67 24.520 25.297 8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.349 23.653 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.996 25.228 8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.882 23.887 9.400 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.109 22.891 8.522 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.636 23.117 10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.159 23.920 9.621 1.00 0.00 H new ATOM 1085 N HIS A 68 23.203 27.386 12.574 1.00 0.00 N ATOM 1086 CA HIS A 68 23.258 28.517 13.548 1.00 0.00 C ATOM 1087 C HIS A 68 24.327 28.228 14.603 1.00 0.00 C ATOM 1088 O HIS A 68 24.294 27.213 15.271 1.00 0.00 O ATOM 1089 CB HIS A 68 21.898 28.661 14.234 1.00 0.00 C ATOM 1090 CG HIS A 68 21.543 27.369 14.917 1.00 0.00 C ATOM 1091 ND1 HIS A 68 22.034 27.036 16.172 1.00 0.00 N ATOM 1092 CD2 HIS A 68 20.746 26.317 14.534 1.00 0.00 C ATOM 1093 CE1 HIS A 68 21.533 25.830 16.497 1.00 0.00 C ATOM 1094 NE2 HIS A 68 20.744 25.350 15.533 1.00 0.00 N ATOM 0 H HIS A 68 22.696 26.564 12.901 1.00 0.00 H new ATOM 0 HA HIS A 68 23.504 29.439 13.022 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.929 29.473 14.961 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.134 28.919 13.501 1.00 0.00 H new ATOM 0 HD1 HIS A 68 22.661 27.602 16.744 1.00 0.00 H new ATOM 0 HD2 HIS A 68 20.205 26.252 13.602 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.743 25.315 17.423 1.00 0.00 H new ATOM 1103 N LEU A 69 25.271 29.122 14.764 1.00 0.00 N ATOM 1104 CA LEU A 69 26.354 28.933 15.786 1.00 0.00 C ATOM 1105 C LEU A 69 26.240 30.062 16.814 1.00 0.00 C ATOM 1106 O LEU A 69 25.887 31.174 16.479 1.00 0.00 O ATOM 1107 CB LEU A 69 27.732 29.006 15.100 1.00 0.00 C ATOM 1108 CG LEU A 69 28.122 27.636 14.518 1.00 0.00 C ATOM 1109 CD1 LEU A 69 27.207 27.273 13.334 1.00 0.00 C ATOM 1110 CD2 LEU A 69 29.578 27.696 14.044 1.00 0.00 C ATOM 0 H LEU A 69 25.340 29.986 14.226 1.00 0.00 H new ATOM 0 HA LEU A 69 26.249 27.962 16.271 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.709 29.751 14.305 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.485 29.329 15.819 1.00 0.00 H new ATOM 0 HG LEU A 69 28.009 26.873 15.288 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.497 26.301 12.935 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.172 27.232 13.673 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.303 28.029 12.555 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.866 26.730 13.629 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.680 28.465 13.278 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.226 27.936 14.887 1.00 0.00 H new ATOM 1122 N VAL A 70 26.536 29.791 18.062 1.00 0.00 N ATOM 1123 CA VAL A 70 26.450 30.855 19.114 1.00 0.00 C ATOM 1124 C VAL A 70 27.719 30.816 19.965 1.00 0.00 C ATOM 1125 O VAL A 70 27.963 29.873 20.692 1.00 0.00 O ATOM 1126 CB VAL A 70 25.234 30.589 20.004 1.00 0.00 C ATOM 1127 CG1 VAL A 70 25.106 31.704 21.043 1.00 0.00 C ATOM 1128 CG2 VAL A 70 23.970 30.552 19.141 1.00 0.00 C ATOM 0 H VAL A 70 26.835 28.876 18.399 1.00 0.00 H new ATOM 0 HA VAL A 70 26.350 31.834 18.644 1.00 0.00 H new ATOM 0 HB VAL A 70 25.359 29.632 20.511 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.240 31.513 21.676 1.00 0.00 H new ATOM 0 HG12 VAL A 70 26.006 31.733 21.658 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.982 32.661 20.536 1.00 0.00 H new ATOM 0 HG21 VAL A 70 23.103 30.363 19.774 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.847 31.509 18.634 1.00 0.00 H new ATOM 0 HG23 VAL A 70 24.059 29.758 18.400 1.00 0.00 H new ATOM 1138 N LEU A 71 28.536 31.831 19.878 1.00 0.00 N ATOM 1139 CA LEU A 71 29.795 31.854 20.676 1.00 0.00 C ATOM 1140 C LEU A 71 29.491 32.356 22.087 1.00 0.00 C ATOM 1141 O LEU A 71 28.684 33.244 22.276 1.00 0.00 O ATOM 1142 CB LEU A 71 30.800 32.796 19.988 1.00 0.00 C ATOM 1143 CG LEU A 71 32.210 32.678 20.631 1.00 0.00 C ATOM 1144 CD1 LEU A 71 33.293 32.885 19.565 1.00 0.00 C ATOM 1145 CD2 LEU A 71 32.396 33.747 21.721 1.00 0.00 C ATOM 0 H LEU A 71 28.385 32.648 19.286 1.00 0.00 H new ATOM 0 HA LEU A 71 30.218 30.852 20.740 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.860 32.556 18.927 1.00 0.00 H new ATOM 0 HB3 LEU A 71 30.448 33.825 20.063 1.00 0.00 H new ATOM 0 HG LEU A 71 32.298 31.684 21.070 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.277 32.800 20.025 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.189 32.127 18.789 1.00 0.00 H new ATOM 0 HD13 LEU A 71 33.183 33.875 19.122 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.389 33.650 22.160 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.290 34.738 21.280 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.641 33.612 22.496 1.00 0.00 H new ATOM 1157 N ARG A 72 30.143 31.799 23.083 1.00 0.00 N ATOM 1158 CA ARG A 72 29.916 32.240 24.497 1.00 0.00 C ATOM 1159 C ARG A 72 31.215 32.843 25.035 1.00 0.00 C ATOM 1160 O ARG A 72 32.293 32.526 24.566 1.00 0.00 O ATOM 1161 CB ARG A 72 29.532 31.026 25.345 1.00 0.00 C ATOM 1162 CG ARG A 72 29.225 31.476 26.775 1.00 0.00 C ATOM 1163 CD ARG A 72 28.734 30.279 27.591 1.00 0.00 C ATOM 1164 NE ARG A 72 28.488 30.707 28.999 1.00 0.00 N ATOM 1165 CZ ARG A 72 29.485 30.802 29.836 1.00 0.00 C ATOM 1166 NH1 ARG A 72 29.270 31.174 31.068 1.00 0.00 N ATOM 1167 NH2 ARG A 72 30.698 30.526 29.440 1.00 0.00 N ATOM 0 H ARG A 72 30.828 31.051 22.974 1.00 0.00 H new ATOM 0 HA ARG A 72 29.117 32.980 24.537 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.662 30.529 24.915 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.345 30.300 25.348 1.00 0.00 H new ATOM 0 HG2 ARG A 72 30.118 31.901 27.234 1.00 0.00 H new ATOM 0 HG3 ARG A 72 28.467 32.260 26.766 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.818 29.879 27.156 1.00 0.00 H new ATOM 0 HD3 ARG A 72 29.475 29.480 27.566 1.00 0.00 H new ATOM 0 HE ARG A 72 27.541 30.925 29.307 1.00 0.00 H new ATOM 0 HH11 ARG A 72 28.322 31.391 31.377 1.00 0.00 H new ATOM 0 HH12 ARG A 72 30.049 31.248 31.722 1.00 0.00 H new ATOM 0 HH21 ARG A 72 30.866 30.236 28.477 1.00 0.00 H new ATOM 0 HH22 ARG A 72 31.477 30.600 30.094 1.00 0.00 H new ATOM 1181 N LEU A 73 31.135 33.702 26.016 1.00 0.00 N ATOM 1182 CA LEU A 73 32.377 34.314 26.573 1.00 0.00 C ATOM 1183 C LEU A 73 32.980 33.380 27.624 1.00 0.00 C ATOM 1184 O LEU A 73 32.339 32.457 28.087 1.00 0.00 O ATOM 1185 CB LEU A 73 32.036 35.657 27.223 1.00 0.00 C ATOM 1186 CG LEU A 73 31.149 36.479 26.283 1.00 0.00 C ATOM 1187 CD1 LEU A 73 30.812 37.817 26.943 1.00 0.00 C ATOM 1188 CD2 LEU A 73 31.888 36.730 24.963 1.00 0.00 C ATOM 0 H LEU A 73 30.266 34.006 26.455 1.00 0.00 H new ATOM 0 HA LEU A 73 33.096 34.470 25.769 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.523 35.493 28.171 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.951 36.206 27.447 1.00 0.00 H new ATOM 0 HG LEU A 73 30.229 35.930 26.081 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.181 38.403 26.275 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.282 37.638 27.879 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.732 38.365 27.146 1.00 0.00 H new ATOM 0 HD21 LEU A 73 31.254 37.315 24.297 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.810 37.277 25.160 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.126 35.776 24.492 1.00 0.00 H new ATOM 1200 N ARG A 74 34.208 33.616 28.000 1.00 0.00 N ATOM 1201 CA ARG A 74 34.865 32.748 29.021 1.00 0.00 C ATOM 1202 C ARG A 74 34.903 31.302 28.519 1.00 0.00 C ATOM 1203 O ARG A 74 34.059 30.873 27.758 1.00 0.00 O ATOM 1204 CB ARG A 74 34.080 32.813 30.337 1.00 0.00 C ATOM 1205 CG ARG A 74 34.949 32.276 31.478 1.00 0.00 C ATOM 1206 CD ARG A 74 34.139 32.263 32.775 1.00 0.00 C ATOM 1207 NE ARG A 74 34.999 31.777 33.891 1.00 0.00 N ATOM 1208 CZ ARG A 74 34.478 31.548 35.065 1.00 0.00 C ATOM 1209 NH1 ARG A 74 35.231 31.126 36.042 1.00 0.00 N ATOM 1210 NH2 ARG A 74 33.202 31.741 35.262 1.00 0.00 N ATOM 0 H ARG A 74 34.787 34.376 27.643 1.00 0.00 H new ATOM 0 HA ARG A 74 35.883 33.100 29.190 1.00 0.00 H new ATOM 0 HB2 ARG A 74 33.783 33.841 30.545 1.00 0.00 H new ATOM 0 HB3 ARG A 74 33.165 32.227 30.256 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.295 31.269 31.243 1.00 0.00 H new ATOM 0 HG3 ARG A 74 35.836 32.898 31.597 1.00 0.00 H new ATOM 0 HD2 ARG A 74 33.769 33.264 32.996 1.00 0.00 H new ATOM 0 HD3 ARG A 74 33.267 31.618 32.666 1.00 0.00 H new ATOM 0 HE ARG A 74 35.996 31.623 33.737 1.00 0.00 H new ATOM 0 HH11 ARG A 74 36.228 30.975 35.889 1.00 0.00 H new ATOM 0 HH12 ARG A 74 34.823 30.947 36.960 1.00 0.00 H new ATOM 0 HH21 ARG A 74 32.612 32.071 34.498 1.00 0.00 H new ATOM 0 HH22 ARG A 74 32.795 31.562 36.180 1.00 0.00 H new ATOM 1224 N GLY A 75 35.881 30.547 28.939 1.00 0.00 N ATOM 1225 CA GLY A 75 35.973 29.130 28.487 1.00 0.00 C ATOM 1226 C GLY A 75 36.975 28.378 29.365 1.00 0.00 C ATOM 1227 O GLY A 75 37.799 28.971 30.031 1.00 0.00 O ATOM 0 H GLY A 75 36.619 30.850 29.575 1.00 0.00 H new ATOM 0 HA2 GLY A 75 34.994 28.654 28.545 1.00 0.00 H new ATOM 0 HA3 GLY A 75 36.286 29.090 27.444 1.00 0.00 H new ATOM 1231 N GLY A 76 36.909 27.075 29.370 1.00 0.00 N ATOM 1232 CA GLY A 76 37.858 26.283 30.205 1.00 0.00 C ATOM 1233 C GLY A 76 37.283 24.888 30.448 1.00 0.00 C ATOM 1234 O GLY A 76 38.054 23.998 30.768 1.00 0.00 O ATOM 1235 OXT GLY A 76 36.080 24.732 30.310 1.00 0.00 O ATOM 0 H GLY A 76 36.240 26.524 28.833 1.00 0.00 H new ATOM 0 HA2 GLY A 76 38.823 26.208 29.705 1.00 0.00 H new ATOM 0 HA3 GLY A 76 38.030 26.787 31.156 1.00 0.00 H new TER 1239 GLY A 76