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 22 THR OG1 : rot 180:sc= 0.353 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.0438 K(o=0.31,f=-1.5!) USER MOD Set 2.1: A 7 THR OG1 : rot -160:sc= 0.665 USER MOD Set 2.2: A 9 THR OG1 : rot -39:sc= 0.729 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.0147 (180deg=-0.16) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.0362 (180deg=0.0307) USER MOD Single : A 2 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= -0.0256 (180deg=-0.351) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= -3.09! (180deg=-3.47!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0495 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= -5.72! (180deg=-7.56!) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.0393 (180deg=-0.396) USER MOD Single : A 31 GLN : amide:sc= -1.04 K(o=-1,f=-3.1!) USER MOD Single : A 33 LYS NZ :NH3+ 121:sc= -0.0422 (180deg=-0.412) USER MOD Single : A 40 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= -3.13 K(o=-3.1,f=-6.9!) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.032 (180deg=-0.493) USER MOD Single : A 49 GLN : amide:sc= -2.4! C(o=-2.4!,f=-2.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0752 USER MOD Single : A 57 SER OG : rot 56:sc= 0.367 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.514 USER MOD Single : A 60 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.26) USER MOD Single : A 62 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 63 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0423) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00926 X(o=-0.0093,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.869 31.305 1.928 1.00 0.00 N ATOM 2 CA MET A 1 32.317 32.244 2.945 1.00 0.00 C ATOM 3 C MET A 1 33.214 32.233 4.177 1.00 0.00 C ATOM 4 O MET A 1 33.531 31.175 4.720 1.00 0.00 O ATOM 5 CB MET A 1 30.896 31.812 3.324 1.00 0.00 C ATOM 6 CG MET A 1 30.447 32.536 4.596 1.00 0.00 C ATOM 7 SD MET A 1 28.651 32.379 4.781 1.00 0.00 S ATOM 8 CE MET A 1 28.605 32.169 6.580 1.00 0.00 C ATOM 0 H1 MET A 1 32.353 31.420 1.033 1.00 0.00 H new ATOM 0 H2 MET A 1 33.877 31.512 1.776 1.00 0.00 H new ATOM 0 H3 MET A 1 32.763 30.327 2.265 1.00 0.00 H new ATOM 0 HA MET A 1 32.282 33.253 2.535 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.210 32.036 2.507 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.865 30.734 3.480 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.951 32.113 5.465 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.727 33.588 4.546 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.596 31.895 6.889 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.300 31.382 6.872 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.891 33.103 7.063 1.00 0.00 H new ATOM 20 N GLN A 2 33.618 33.421 4.617 1.00 0.00 N ATOM 21 CA GLN A 2 34.478 33.557 5.792 1.00 0.00 C ATOM 22 C GLN A 2 33.748 34.303 6.907 1.00 0.00 C ATOM 23 O GLN A 2 32.856 35.111 6.647 1.00 0.00 O ATOM 24 CB GLN A 2 35.743 34.329 5.413 1.00 0.00 C ATOM 25 CG GLN A 2 36.576 33.505 4.429 1.00 0.00 C ATOM 26 CD GLN A 2 37.730 34.345 3.891 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.886 33.927 3.954 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.485 35.513 3.363 1.00 0.00 N ATOM 0 H GLN A 2 33.364 34.306 4.178 1.00 0.00 H new ATOM 0 HA GLN A 2 34.742 32.561 6.147 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.476 35.286 4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.329 34.547 6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.963 32.615 4.924 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.949 33.164 3.605 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.527 35.858 3.311 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.252 36.080 3.002 1.00 0.00 H new ATOM 37 N ILE A 3 34.154 34.042 8.147 1.00 0.00 N ATOM 38 CA ILE A 3 33.557 34.707 9.303 1.00 0.00 C ATOM 39 C ILE A 3 34.552 34.752 10.447 1.00 0.00 C ATOM 40 O ILE A 3 35.599 34.111 10.395 1.00 0.00 O ATOM 41 CB ILE A 3 32.266 34.010 9.765 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.495 32.485 9.868 1.00 0.00 C ATOM 43 CG2 ILE A 3 31.129 34.323 8.780 1.00 0.00 C ATOM 44 CD1 ILE A 3 31.155 31.743 9.878 1.00 0.00 C ATOM 0 H ILE A 3 34.892 33.377 8.377 1.00 0.00 H new ATOM 0 HA ILE A 3 33.297 35.721 8.999 1.00 0.00 H new ATOM 0 HB ILE A 3 31.987 34.382 10.751 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.100 32.144 9.028 1.00 0.00 H new ATOM 0 HG13 ILE A 3 33.052 32.255 10.776 1.00 0.00 H new ATOM 0 HG21 ILE A 3 30.216 33.828 9.110 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.965 35.400 8.744 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.399 33.963 7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.334 30.670 9.951 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.564 32.071 10.733 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.613 31.959 8.957 1.00 0.00 H new ATOM 56 N PHE A 4 34.214 35.518 11.477 1.00 0.00 N ATOM 57 CA PHE A 4 35.080 35.660 12.646 1.00 0.00 C ATOM 58 C PHE A 4 34.446 35.002 13.864 1.00 0.00 C ATOM 59 O PHE A 4 33.241 35.120 14.087 1.00 0.00 O ATOM 60 CB PHE A 4 35.299 37.143 12.943 1.00 0.00 C ATOM 61 CG PHE A 4 35.851 37.835 11.718 1.00 0.00 C ATOM 62 CD1 PHE A 4 35.005 38.129 10.641 1.00 0.00 C ATOM 63 CD2 PHE A 4 37.203 38.192 11.663 1.00 0.00 C ATOM 64 CE1 PHE A 4 35.513 38.779 9.509 1.00 0.00 C ATOM 65 CE2 PHE A 4 37.711 38.841 10.531 1.00 0.00 C ATOM 66 CZ PHE A 4 36.866 39.135 9.455 1.00 0.00 C ATOM 0 H PHE A 4 33.346 36.052 11.529 1.00 0.00 H new ATOM 0 HA PHE A 4 36.032 35.175 12.432 1.00 0.00 H new ATOM 0 HB2 PHE A 4 34.358 37.606 13.241 1.00 0.00 H new ATOM 0 HB3 PHE A 4 35.989 37.258 13.779 1.00 0.00 H new ATOM 0 HD1 PHE A 4 33.961 37.855 10.683 1.00 0.00 H new ATOM 0 HD2 PHE A 4 37.855 37.967 12.494 1.00 0.00 H new ATOM 0 HE1 PHE A 4 34.861 39.005 8.678 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.755 39.115 10.488 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.258 39.637 8.583 1.00 0.00 H new ATOM 76 N VAL A 5 35.270 34.326 14.665 1.00 0.00 N ATOM 77 CA VAL A 5 34.796 33.670 15.880 1.00 0.00 C ATOM 78 C VAL A 5 35.460 34.316 17.085 1.00 0.00 C ATOM 79 O VAL A 5 36.683 34.449 17.143 1.00 0.00 O ATOM 80 CB VAL A 5 35.112 32.168 15.830 1.00 0.00 C ATOM 81 CG1 VAL A 5 35.001 31.561 17.237 1.00 0.00 C ATOM 82 CG2 VAL A 5 34.101 31.478 14.910 1.00 0.00 C ATOM 0 H VAL A 5 36.270 34.219 14.493 1.00 0.00 H new ATOM 0 HA VAL A 5 33.715 33.786 15.960 1.00 0.00 H new ATOM 0 HB VAL A 5 36.125 32.025 15.455 1.00 0.00 H new ATOM 0 HG11 VAL A 5 35.227 30.496 17.192 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.709 32.054 17.903 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.988 31.702 17.615 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.317 30.410 14.868 1.00 0.00 H new ATOM 0 HG22 VAL A 5 33.094 31.629 15.298 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.172 31.902 13.908 1.00 0.00 H new ATOM 92 N LYS A 6 34.633 34.730 18.031 1.00 0.00 N ATOM 93 CA LYS A 6 35.111 35.389 19.242 1.00 0.00 C ATOM 94 C LYS A 6 34.932 34.481 20.455 1.00 0.00 C ATOM 95 O LYS A 6 33.856 33.919 20.663 1.00 0.00 O ATOM 96 CB LYS A 6 34.310 36.676 19.439 1.00 0.00 C ATOM 97 CG LYS A 6 35.015 37.585 20.439 1.00 0.00 C ATOM 98 CD LYS A 6 34.279 38.925 20.498 1.00 0.00 C ATOM 99 CE LYS A 6 34.868 39.794 21.611 1.00 0.00 C ATOM 100 NZ LYS A 6 36.303 40.068 21.320 1.00 0.00 N ATOM 0 H LYS A 6 33.620 34.622 17.985 1.00 0.00 H new ATOM 0 HA LYS A 6 36.173 35.613 19.139 1.00 0.00 H new ATOM 0 HB2 LYS A 6 34.195 37.191 18.485 1.00 0.00 H new ATOM 0 HB3 LYS A 6 33.308 36.439 19.796 1.00 0.00 H new ATOM 0 HG2 LYS A 6 35.030 37.120 21.425 1.00 0.00 H new ATOM 0 HG3 LYS A 6 36.053 37.738 20.142 1.00 0.00 H new ATOM 0 HD2 LYS A 6 34.364 39.439 19.540 1.00 0.00 H new ATOM 0 HD3 LYS A 6 33.217 38.759 20.678 1.00 0.00 H new ATOM 0 HE2 LYS A 6 34.316 40.731 21.686 1.00 0.00 H new ATOM 0 HE3 LYS A 6 34.771 39.288 22.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 36.640 40.838 21.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 36.864 39.211 21.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 36.408 40.346 20.323 1.00 0.00 H new ATOM 114 N THR A 7 35.988 34.345 21.261 1.00 0.00 N ATOM 115 CA THR A 7 35.930 33.505 22.463 1.00 0.00 C ATOM 116 C THR A 7 35.862 34.375 23.716 1.00 0.00 C ATOM 117 O THR A 7 35.890 35.605 23.638 1.00 0.00 O ATOM 118 CB THR A 7 37.162 32.598 22.538 1.00 0.00 C ATOM 119 OG1 THR A 7 38.311 33.382 22.823 1.00 0.00 O ATOM 120 CG2 THR A 7 37.352 31.872 21.205 1.00 0.00 C ATOM 0 H THR A 7 36.887 34.801 21.106 1.00 0.00 H new ATOM 0 HA THR A 7 35.033 32.888 22.406 1.00 0.00 H new ATOM 0 HB THR A 7 37.020 31.862 23.329 1.00 0.00 H new ATOM 0 HG1 THR A 7 39.117 32.888 22.564 1.00 0.00 H new ATOM 0 HG21 THR A 7 38.230 31.228 21.263 1.00 0.00 H new ATOM 0 HG22 THR A 7 36.471 31.266 20.992 1.00 0.00 H new ATOM 0 HG23 THR A 7 37.491 32.603 20.409 1.00 0.00 H new ATOM 128 N LEU A 8 35.788 33.734 24.876 1.00 0.00 N ATOM 129 CA LEU A 8 35.725 34.470 26.132 1.00 0.00 C ATOM 130 C LEU A 8 37.081 35.098 26.459 1.00 0.00 C ATOM 131 O LEU A 8 37.167 35.997 27.293 1.00 0.00 O ATOM 132 CB LEU A 8 35.292 33.532 27.272 1.00 0.00 C ATOM 133 CG LEU A 8 33.769 33.341 27.245 1.00 0.00 C ATOM 134 CD1 LEU A 8 33.347 32.732 25.905 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.347 32.405 28.385 1.00 0.00 C ATOM 0 H LEU A 8 35.770 32.719 24.973 1.00 0.00 H new ATOM 0 HA LEU A 8 34.990 35.268 26.027 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.790 32.568 27.169 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.598 33.948 28.232 1.00 0.00 H new ATOM 0 HG LEU A 8 33.285 34.310 27.371 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.265 32.598 25.891 1.00 0.00 H new ATOM 0 HD12 LEU A 8 33.641 33.398 25.094 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.834 31.765 25.775 1.00 0.00 H new ATOM 0 HD21 LEU A 8 32.266 32.271 28.364 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.835 31.438 28.262 1.00 0.00 H new ATOM 0 HD23 LEU A 8 33.640 32.840 29.340 1.00 0.00 H new ATOM 147 N THR A 9 38.140 34.623 25.803 1.00 0.00 N ATOM 148 CA THR A 9 39.478 35.160 26.050 1.00 0.00 C ATOM 149 C THR A 9 39.759 36.361 25.152 1.00 0.00 C ATOM 150 O THR A 9 40.887 36.851 25.098 1.00 0.00 O ATOM 151 CB THR A 9 40.538 34.081 25.810 1.00 0.00 C ATOM 152 OG1 THR A 9 40.597 33.772 24.426 1.00 0.00 O ATOM 153 CG2 THR A 9 40.177 32.822 26.601 1.00 0.00 C ATOM 0 H THR A 9 38.100 33.879 25.107 1.00 0.00 H new ATOM 0 HA THR A 9 39.522 35.484 27.090 1.00 0.00 H new ATOM 0 HB THR A 9 41.509 34.449 26.140 1.00 0.00 H new ATOM 0 HG1 THR A 9 39.691 33.773 24.052 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.932 32.055 26.429 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.136 33.059 27.664 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.205 32.453 26.274 1.00 0.00 H new ATOM 161 N GLY A 10 38.728 36.846 24.461 1.00 0.00 N ATOM 162 CA GLY A 10 38.892 38.003 23.588 1.00 0.00 C ATOM 163 C GLY A 10 39.742 37.662 22.372 1.00 0.00 C ATOM 164 O GLY A 10 40.321 38.546 21.741 1.00 0.00 O ATOM 0 H GLY A 10 37.784 36.461 24.489 1.00 0.00 H new ATOM 0 HA2 GLY A 10 37.914 38.358 23.263 1.00 0.00 H new ATOM 0 HA3 GLY A 10 39.358 38.817 24.143 1.00 0.00 H new ATOM 168 N LYS A 11 39.801 36.376 22.036 1.00 0.00 N ATOM 169 CA LYS A 11 40.571 35.929 20.878 1.00 0.00 C ATOM 170 C LYS A 11 39.680 35.932 19.645 1.00 0.00 C ATOM 171 O LYS A 11 38.557 35.428 19.683 1.00 0.00 O ATOM 172 CB LYS A 11 41.108 34.514 21.116 1.00 0.00 C ATOM 173 CG LYS A 11 42.183 34.185 20.074 1.00 0.00 C ATOM 174 CD LYS A 11 42.784 32.809 20.380 1.00 0.00 C ATOM 175 CE LYS A 11 44.004 32.567 19.487 1.00 0.00 C ATOM 176 NZ LYS A 11 43.564 32.414 18.072 1.00 0.00 N ATOM 0 H LYS A 11 39.328 35.629 22.545 1.00 0.00 H new ATOM 0 HA LYS A 11 41.411 36.607 20.726 1.00 0.00 H new ATOM 0 HB2 LYS A 11 41.526 34.438 22.120 1.00 0.00 H new ATOM 0 HB3 LYS A 11 40.295 33.791 21.054 1.00 0.00 H new ATOM 0 HG2 LYS A 11 41.750 34.191 19.074 1.00 0.00 H new ATOM 0 HG3 LYS A 11 42.963 34.946 20.087 1.00 0.00 H new ATOM 0 HD2 LYS A 11 43.073 32.753 21.430 1.00 0.00 H new ATOM 0 HD3 LYS A 11 42.039 32.031 20.213 1.00 0.00 H new ATOM 0 HE2 LYS A 11 44.702 33.400 19.574 1.00 0.00 H new ATOM 0 HE3 LYS A 11 44.534 31.672 19.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 44.348 32.035 17.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 42.757 31.759 18.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 43.279 33.340 17.695 1.00 0.00 H new ATOM 190 N THR A 12 40.186 36.490 18.546 1.00 0.00 N ATOM 191 CA THR A 12 39.429 36.542 17.295 1.00 0.00 C ATOM 192 C THR A 12 40.164 35.761 16.218 1.00 0.00 C ATOM 193 O THR A 12 41.332 36.022 15.929 1.00 0.00 O ATOM 194 CB THR A 12 39.254 37.991 16.835 1.00 0.00 C ATOM 195 OG1 THR A 12 38.599 38.733 17.855 1.00 0.00 O ATOM 196 CG2 THR A 12 38.407 38.019 15.556 1.00 0.00 C ATOM 0 H THR A 12 41.114 36.911 18.496 1.00 0.00 H new ATOM 0 HA THR A 12 38.447 36.102 17.466 1.00 0.00 H new ATOM 0 HB THR A 12 40.230 38.433 16.634 1.00 0.00 H new ATOM 0 HG1 THR A 12 38.487 39.662 17.563 1.00 0.00 H new ATOM 0 HG21 THR A 12 38.281 39.050 15.226 1.00 0.00 H new ATOM 0 HG22 THR A 12 38.908 37.447 14.775 1.00 0.00 H new ATOM 0 HG23 THR A 12 37.430 37.580 15.757 1.00 0.00 H new ATOM 204 N ILE A 13 39.463 34.807 15.625 1.00 0.00 N ATOM 205 CA ILE A 13 40.037 33.983 14.564 1.00 0.00 C ATOM 206 C ILE A 13 39.055 33.846 13.419 1.00 0.00 C ATOM 207 O ILE A 13 37.845 33.761 13.629 1.00 0.00 O ATOM 208 CB ILE A 13 40.409 32.604 15.104 1.00 0.00 C ATOM 209 CG1 ILE A 13 39.193 31.985 15.789 1.00 0.00 C ATOM 210 CG2 ILE A 13 41.551 32.742 16.112 1.00 0.00 C ATOM 211 CD1 ILE A 13 39.553 30.595 16.313 1.00 0.00 C ATOM 0 H ILE A 13 38.496 34.582 15.858 1.00 0.00 H new ATOM 0 HA ILE A 13 40.941 34.470 14.197 1.00 0.00 H new ATOM 0 HB ILE A 13 40.729 31.963 14.282 1.00 0.00 H new ATOM 0 HG12 ILE A 13 38.863 32.620 16.611 1.00 0.00 H new ATOM 0 HG13 ILE A 13 38.363 31.916 15.086 1.00 0.00 H new ATOM 0 HG21 ILE A 13 41.817 31.758 16.498 1.00 0.00 H new ATOM 0 HG22 ILE A 13 42.417 33.186 15.622 1.00 0.00 H new ATOM 0 HG23 ILE A 13 41.234 33.381 16.936 1.00 0.00 H new ATOM 0 HD11 ILE A 13 38.684 30.154 16.802 1.00 0.00 H new ATOM 0 HD12 ILE A 13 39.862 29.961 15.482 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.370 30.677 17.030 1.00 0.00 H new ATOM 223 N THR A 14 39.582 33.827 12.204 1.00 0.00 N ATOM 224 CA THR A 14 38.737 33.701 11.018 1.00 0.00 C ATOM 225 C THR A 14 38.664 32.248 10.568 1.00 0.00 C ATOM 226 O THR A 14 39.666 31.532 10.556 1.00 0.00 O ATOM 227 CB THR A 14 39.285 34.583 9.887 1.00 0.00 C ATOM 228 OG1 THR A 14 40.704 34.592 9.949 1.00 0.00 O ATOM 229 CG2 THR A 14 38.756 36.013 10.052 1.00 0.00 C ATOM 0 H THR A 14 40.581 33.896 12.010 1.00 0.00 H new ATOM 0 HA THR A 14 37.730 34.034 11.269 1.00 0.00 H new ATOM 0 HB THR A 14 38.963 34.188 8.924 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.059 35.152 9.228 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.145 36.640 9.249 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.667 36.005 10.011 1.00 0.00 H new ATOM 0 HG23 THR A 14 39.080 36.412 11.013 1.00 0.00 H new ATOM 237 N LEU A 15 37.456 31.826 10.207 1.00 0.00 N ATOM 238 CA LEU A 15 37.204 30.457 9.761 1.00 0.00 C ATOM 239 C LEU A 15 36.616 30.466 8.347 1.00 0.00 C ATOM 240 O LEU A 15 35.799 31.321 8.007 1.00 0.00 O ATOM 241 CB LEU A 15 36.209 29.792 10.749 1.00 0.00 C ATOM 242 CG LEU A 15 36.894 28.706 11.594 1.00 0.00 C ATOM 243 CD1 LEU A 15 38.014 29.322 12.447 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.846 28.064 12.509 1.00 0.00 C ATOM 0 H LEU A 15 36.626 32.419 10.215 1.00 0.00 H new ATOM 0 HA LEU A 15 38.137 29.894 9.741 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.785 30.551 11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.381 29.353 10.193 1.00 0.00 H new ATOM 0 HG LEU A 15 37.331 27.955 10.936 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.491 28.542 13.040 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.755 29.786 11.795 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.592 30.076 13.111 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.317 27.291 13.115 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.417 28.825 13.161 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.057 27.619 11.903 1.00 0.00 H new ATOM 256 N GLU A 16 37.014 29.481 7.542 1.00 0.00 N ATOM 257 CA GLU A 16 36.497 29.352 6.177 1.00 0.00 C ATOM 258 C GLU A 16 35.463 28.234 6.149 1.00 0.00 C ATOM 259 O GLU A 16 35.767 27.091 6.489 1.00 0.00 O ATOM 260 CB GLU A 16 37.629 29.035 5.192 1.00 0.00 C ATOM 261 CG GLU A 16 38.814 29.968 5.446 1.00 0.00 C ATOM 262 CD GLU A 16 39.557 29.534 6.703 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.799 28.347 6.843 1.00 0.00 O ATOM 264 OE2 GLU A 16 39.872 30.395 7.508 1.00 0.00 O ATOM 0 H GLU A 16 37.689 28.764 7.808 1.00 0.00 H new ATOM 0 HA GLU A 16 36.041 30.296 5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.941 27.997 5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.275 29.152 4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 16 39.489 29.953 4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.463 30.994 5.557 1.00 0.00 H new ATOM 271 N VAL A 17 34.236 28.569 5.760 1.00 0.00 N ATOM 272 CA VAL A 17 33.165 27.571 5.718 1.00 0.00 C ATOM 273 C VAL A 17 32.202 27.829 4.566 1.00 0.00 C ATOM 274 O VAL A 17 32.196 28.904 3.972 1.00 0.00 O ATOM 275 CB VAL A 17 32.406 27.554 7.063 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.384 27.806 8.214 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.330 28.644 7.086 1.00 0.00 C ATOM 0 H VAL A 17 33.958 29.508 5.473 1.00 0.00 H new ATOM 0 HA VAL A 17 33.621 26.595 5.551 1.00 0.00 H new ATOM 0 HB VAL A 17 31.935 26.578 7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.843 27.793 9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.146 27.027 8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.860 28.778 8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.805 28.617 8.041 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.798 29.620 6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.620 28.472 6.277 1.00 0.00 H new ATOM 287 N GLU A 18 31.375 26.827 4.275 1.00 0.00 N ATOM 288 CA GLU A 18 30.378 26.927 3.216 1.00 0.00 C ATOM 289 C GLU A 18 29.025 27.260 3.844 1.00 0.00 C ATOM 290 O GLU A 18 28.775 26.906 4.997 1.00 0.00 O ATOM 291 CB GLU A 18 30.290 25.591 2.466 1.00 0.00 C ATOM 292 CG GLU A 18 31.457 25.472 1.484 1.00 0.00 C ATOM 293 CD GLU A 18 31.481 24.076 0.872 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.854 23.193 1.434 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.126 23.910 -0.150 1.00 0.00 O ATOM 0 H GLU A 18 31.378 25.931 4.763 1.00 0.00 H new ATOM 0 HA GLU A 18 30.659 27.710 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.313 24.763 3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.343 25.526 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.360 26.221 0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.398 25.669 1.998 1.00 0.00 H new ATOM 302 N PRO A 19 28.155 27.929 3.134 1.00 0.00 N ATOM 303 CA PRO A 19 26.817 28.303 3.675 1.00 0.00 C ATOM 304 C PRO A 19 25.961 27.072 3.955 1.00 0.00 C ATOM 305 O PRO A 19 24.944 27.154 4.645 1.00 0.00 O ATOM 306 CB PRO A 19 26.204 29.174 2.564 1.00 0.00 C ATOM 307 CG PRO A 19 26.911 28.752 1.317 1.00 0.00 C ATOM 308 CD PRO A 19 28.332 28.398 1.749 1.00 0.00 C ATOM 0 HA PRO A 19 26.883 28.824 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.129 29.014 2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 19 26.354 30.235 2.764 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.417 27.896 0.857 1.00 0.00 H new ATOM 0 HG3 PRO A 19 26.914 29.553 0.578 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.765 27.625 1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.995 29.261 1.698 1.00 0.00 H new ATOM 316 N SER A 20 26.371 25.930 3.399 1.00 0.00 N ATOM 317 CA SER A 20 25.630 24.681 3.570 1.00 0.00 C ATOM 318 C SER A 20 26.308 23.762 4.584 1.00 0.00 C ATOM 319 O SER A 20 25.916 22.604 4.733 1.00 0.00 O ATOM 320 CB SER A 20 25.537 23.965 2.223 1.00 0.00 C ATOM 321 OG SER A 20 24.717 24.725 1.344 1.00 0.00 O ATOM 0 H SER A 20 27.211 25.845 2.827 1.00 0.00 H new ATOM 0 HA SER A 20 24.635 24.923 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.532 23.840 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 20 25.120 22.967 2.356 1.00 0.00 H new ATOM 0 HG SER A 20 24.656 24.270 0.478 1.00 0.00 H new ATOM 327 N ASP A 21 27.318 24.271 5.284 1.00 0.00 N ATOM 328 CA ASP A 21 28.017 23.473 6.276 1.00 0.00 C ATOM 329 C ASP A 21 27.098 23.188 7.459 1.00 0.00 C ATOM 330 O ASP A 21 26.280 24.027 7.838 1.00 0.00 O ATOM 331 CB ASP A 21 29.272 24.225 6.742 1.00 0.00 C ATOM 332 CG ASP A 21 30.414 24.043 5.740 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.293 23.193 4.874 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.397 24.751 5.861 1.00 0.00 O ATOM 0 H ASP A 21 27.665 25.224 5.181 1.00 0.00 H new ATOM 0 HA ASP A 21 28.314 22.522 5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.046 25.285 6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.579 23.859 7.722 1.00 0.00 H new ATOM 339 N THR A 22 27.235 21.997 8.037 1.00 0.00 N ATOM 340 CA THR A 22 26.409 21.610 9.178 1.00 0.00 C ATOM 341 C THR A 22 27.081 22.028 10.474 1.00 0.00 C ATOM 342 O THR A 22 28.304 22.116 10.545 1.00 0.00 O ATOM 343 CB THR A 22 26.189 20.095 9.185 1.00 0.00 C ATOM 344 OG1 THR A 22 27.445 19.437 9.277 1.00 0.00 O ATOM 345 CG2 THR A 22 25.479 19.669 7.898 1.00 0.00 C ATOM 0 H THR A 22 27.904 21.288 7.737 1.00 0.00 H new ATOM 0 HA THR A 22 25.445 22.111 9.092 1.00 0.00 H new ATOM 0 HB THR A 22 25.571 19.823 10.041 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.306 18.467 9.283 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.325 18.590 7.908 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.515 20.173 7.830 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.091 19.940 7.038 1.00 0.00 H new ATOM 353 N ILE A 23 26.279 22.280 11.497 1.00 0.00 N ATOM 354 CA ILE A 23 26.832 22.684 12.781 1.00 0.00 C ATOM 355 C ILE A 23 27.906 21.692 13.213 1.00 0.00 C ATOM 356 O ILE A 23 28.792 22.018 14.001 1.00 0.00 O ATOM 357 CB ILE A 23 25.725 22.747 13.838 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.495 23.463 13.266 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.228 23.506 15.065 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.912 24.771 12.585 1.00 0.00 C ATOM 0 H ILE A 23 25.262 22.214 11.466 1.00 0.00 H new ATOM 0 HA ILE A 23 27.276 23.674 12.679 1.00 0.00 H new ATOM 0 HB ILE A 23 25.450 21.732 14.124 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.990 22.816 12.549 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.783 23.671 14.064 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.438 23.549 15.815 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.095 22.993 15.480 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.510 24.519 14.776 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.030 25.269 12.183 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.397 25.422 13.313 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.607 24.553 11.774 1.00 0.00 H new ATOM 372 N GLU A 24 27.831 20.484 12.667 1.00 0.00 N ATOM 373 CA GLU A 24 28.808 19.453 12.986 1.00 0.00 C ATOM 374 C GLU A 24 30.112 19.720 12.237 1.00 0.00 C ATOM 375 O GLU A 24 31.183 19.792 12.840 1.00 0.00 O ATOM 376 CB GLU A 24 28.252 18.078 12.608 1.00 0.00 C ATOM 377 CG GLU A 24 26.995 17.790 13.436 1.00 0.00 C ATOM 378 CD GLU A 24 27.357 17.657 14.911 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.756 16.574 15.309 1.00 0.00 O ATOM 380 OE2 GLU A 24 27.230 18.640 15.622 1.00 0.00 O ATOM 0 H GLU A 24 27.109 20.197 12.006 1.00 0.00 H new ATOM 0 HA GLU A 24 29.010 19.470 14.057 1.00 0.00 H new ATOM 0 HB2 GLU A 24 28.014 18.050 11.545 1.00 0.00 H new ATOM 0 HB3 GLU A 24 29.003 17.308 12.787 1.00 0.00 H new ATOM 0 HG2 GLU A 24 26.271 18.593 13.303 1.00 0.00 H new ATOM 0 HG3 GLU A 24 26.522 16.873 13.086 1.00 0.00 H new ATOM 387 N ASN A 25 30.013 19.865 10.920 1.00 0.00 N ATOM 388 CA ASN A 25 31.181 20.124 10.097 1.00 0.00 C ATOM 389 C ASN A 25 31.904 21.382 10.576 1.00 0.00 C ATOM 390 O ASN A 25 33.133 21.423 10.627 1.00 0.00 O ATOM 391 CB ASN A 25 30.745 20.307 8.645 1.00 0.00 C ATOM 392 CG ASN A 25 30.308 18.972 8.051 1.00 0.00 C ATOM 393 OD1 ASN A 25 30.680 17.913 8.558 1.00 0.00 O ATOM 394 ND2 ASN A 25 29.537 18.960 6.998 1.00 0.00 N ATOM 0 H ASN A 25 29.136 19.807 10.403 1.00 0.00 H new ATOM 0 HA ASN A 25 31.863 19.278 10.175 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.924 21.022 8.592 1.00 0.00 H new ATOM 0 HB3 ASN A 25 31.567 20.721 8.061 1.00 0.00 H new ATOM 0 HD21 ASN A 25 29.241 18.072 6.593 1.00 0.00 H new ATOM 0 HD22 ASN A 25 29.230 19.839 6.580 1.00 0.00 H new ATOM 401 N VAL A 26 31.134 22.408 10.921 1.00 0.00 N ATOM 402 CA VAL A 26 31.723 23.659 11.387 1.00 0.00 C ATOM 403 C VAL A 26 32.432 23.448 12.723 1.00 0.00 C ATOM 404 O VAL A 26 33.503 24.006 12.962 1.00 0.00 O ATOM 405 CB VAL A 26 30.648 24.741 11.522 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.303 26.053 11.947 1.00 0.00 C ATOM 407 CG2 VAL A 26 29.958 24.945 10.170 1.00 0.00 C ATOM 0 H VAL A 26 30.115 22.400 10.888 1.00 0.00 H new ATOM 0 HA VAL A 26 32.456 23.989 10.651 1.00 0.00 H new ATOM 0 HB VAL A 26 29.915 24.433 12.268 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.540 26.826 12.044 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.804 25.916 12.905 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.032 26.356 11.196 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.192 25.715 10.265 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.695 25.255 9.429 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.495 24.010 9.853 1.00 0.00 H new ATOM 417 N LYS A 27 31.839 22.630 13.588 1.00 0.00 N ATOM 418 CA LYS A 27 32.447 22.352 14.882 1.00 0.00 C ATOM 419 C LYS A 27 33.763 21.626 14.664 1.00 0.00 C ATOM 420 O LYS A 27 34.751 21.871 15.358 1.00 0.00 O ATOM 421 CB LYS A 27 31.505 21.501 15.742 1.00 0.00 C ATOM 422 CG LYS A 27 30.450 22.398 16.398 1.00 0.00 C ATOM 423 CD LYS A 27 29.328 21.534 16.981 1.00 0.00 C ATOM 424 CE LYS A 27 28.451 22.388 17.904 1.00 0.00 C ATOM 425 NZ LYS A 27 28.382 23.779 17.374 1.00 0.00 N ATOM 0 H LYS A 27 30.952 22.155 13.419 1.00 0.00 H new ATOM 0 HA LYS A 27 32.631 23.290 15.407 1.00 0.00 H new ATOM 0 HB2 LYS A 27 31.020 20.744 15.126 1.00 0.00 H new ATOM 0 HB3 LYS A 27 32.074 20.973 16.507 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.907 22.997 17.185 1.00 0.00 H new ATOM 0 HG3 LYS A 27 30.043 23.093 15.664 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.725 21.112 16.177 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.751 20.697 17.536 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.450 21.962 17.969 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.862 22.392 18.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.582 24.278 17.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.266 24.280 17.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 28.250 23.751 16.343 1.00 0.00 H new ATOM 439 N ALA A 28 33.761 20.739 13.683 1.00 0.00 N ATOM 440 CA ALA A 28 34.947 19.977 13.345 1.00 0.00 C ATOM 441 C ALA A 28 36.086 20.921 12.961 1.00 0.00 C ATOM 442 O ALA A 28 37.241 20.692 13.317 1.00 0.00 O ATOM 443 CB ALA A 28 34.616 19.043 12.181 1.00 0.00 C ATOM 0 H ALA A 28 32.947 20.530 13.106 1.00 0.00 H new ATOM 0 HA ALA A 28 35.267 19.389 14.206 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.501 18.464 11.917 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.813 18.366 12.474 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.298 19.632 11.321 1.00 0.00 H new ATOM 449 N LYS A 29 35.741 21.994 12.250 1.00 0.00 N ATOM 450 CA LYS A 29 36.738 22.981 11.842 1.00 0.00 C ATOM 451 C LYS A 29 37.335 23.647 13.082 1.00 0.00 C ATOM 452 O LYS A 29 38.543 23.888 13.164 1.00 0.00 O ATOM 453 CB LYS A 29 36.103 24.060 10.953 1.00 0.00 C ATOM 454 CG LYS A 29 35.703 23.465 9.600 1.00 0.00 C ATOM 455 CD LYS A 29 35.064 24.556 8.731 1.00 0.00 C ATOM 456 CE LYS A 29 34.619 23.951 7.398 1.00 0.00 C ATOM 457 NZ LYS A 29 35.812 23.467 6.649 1.00 0.00 N ATOM 0 H LYS A 29 34.789 22.200 11.948 1.00 0.00 H new ATOM 0 HA LYS A 29 37.517 22.470 11.277 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.226 24.479 11.447 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.807 24.879 10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.579 23.052 9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.002 22.643 9.745 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.209 24.993 9.247 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.777 25.361 8.557 1.00 0.00 H new ATOM 0 HE2 LYS A 29 33.928 23.127 7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.084 24.696 6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 35.570 23.358 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.586 24.155 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.115 22.549 7.034 1.00 0.00 H new ATOM 471 N ILE A 30 36.471 23.921 14.051 1.00 0.00 N ATOM 472 CA ILE A 30 36.898 24.545 15.288 1.00 0.00 C ATOM 473 C ILE A 30 37.809 23.604 16.072 1.00 0.00 C ATOM 474 O ILE A 30 38.868 24.009 16.546 1.00 0.00 O ATOM 475 CB ILE A 30 35.666 24.914 16.119 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.887 26.019 15.395 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.105 25.418 17.494 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.557 26.279 16.108 1.00 0.00 C ATOM 0 H ILE A 30 35.472 23.720 14.001 1.00 0.00 H new ATOM 0 HA ILE A 30 37.462 25.450 15.060 1.00 0.00 H new ATOM 0 HB ILE A 30 35.032 24.036 16.244 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.479 26.934 15.368 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.703 25.727 14.361 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.226 25.680 18.083 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.665 24.636 18.006 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.737 26.298 17.374 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.012 27.065 15.586 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.962 25.366 16.112 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.749 26.591 17.134 1.00 0.00 H new ATOM 490 N GLN A 31 37.389 22.351 16.207 1.00 0.00 N ATOM 491 CA GLN A 31 38.181 21.370 16.941 1.00 0.00 C ATOM 492 C GLN A 31 39.559 21.211 16.308 1.00 0.00 C ATOM 493 O GLN A 31 40.573 21.177 17.000 1.00 0.00 O ATOM 494 CB GLN A 31 37.472 20.013 16.947 1.00 0.00 C ATOM 495 CG GLN A 31 38.196 19.065 17.909 1.00 0.00 C ATOM 496 CD GLN A 31 37.571 17.676 17.847 1.00 0.00 C ATOM 497 OE1 GLN A 31 36.670 17.433 17.045 1.00 0.00 O ATOM 498 NE2 GLN A 31 38.003 16.741 18.651 1.00 0.00 N ATOM 0 H GLN A 31 36.515 21.993 15.823 1.00 0.00 H new ATOM 0 HA GLN A 31 38.295 21.726 17.965 1.00 0.00 H new ATOM 0 HB2 GLN A 31 36.433 20.135 17.252 1.00 0.00 H new ATOM 0 HB3 GLN A 31 37.462 19.591 15.942 1.00 0.00 H new ATOM 0 HG2 GLN A 31 39.253 19.008 17.649 1.00 0.00 H new ATOM 0 HG3 GLN A 31 38.138 19.453 18.926 1.00 0.00 H new ATOM 0 HE21 GLN A 31 38.750 16.944 19.315 1.00 0.00 H new ATOM 0 HE22 GLN A 31 37.593 15.808 18.615 1.00 0.00 H new ATOM 507 N ASP A 32 39.583 21.092 14.990 1.00 0.00 N ATOM 508 CA ASP A 32 40.838 20.911 14.272 1.00 0.00 C ATOM 509 C ASP A 32 41.821 22.047 14.556 1.00 0.00 C ATOM 510 O ASP A 32 43.025 21.815 14.668 1.00 0.00 O ATOM 511 CB ASP A 32 40.567 20.833 12.768 1.00 0.00 C ATOM 512 CG ASP A 32 39.724 19.601 12.453 1.00 0.00 C ATOM 513 OD1 ASP A 32 40.054 18.538 12.953 1.00 0.00 O ATOM 514 OD2 ASP A 32 38.761 19.739 11.717 1.00 0.00 O ATOM 0 H ASP A 32 38.754 21.117 14.397 1.00 0.00 H new ATOM 0 HA ASP A 32 41.288 19.981 14.619 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.049 21.733 12.436 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.509 20.788 12.222 1.00 0.00 H new ATOM 519 N LYS A 33 41.318 23.279 14.646 1.00 0.00 N ATOM 520 CA LYS A 33 42.193 24.433 14.886 1.00 0.00 C ATOM 521 C LYS A 33 42.466 24.680 16.377 1.00 0.00 C ATOM 522 O LYS A 33 43.572 25.078 16.742 1.00 0.00 O ATOM 523 CB LYS A 33 41.569 25.690 14.276 1.00 0.00 C ATOM 524 CG LYS A 33 41.411 25.502 12.765 1.00 0.00 C ATOM 525 CD LYS A 33 40.928 26.810 12.134 1.00 0.00 C ATOM 526 CE LYS A 33 40.595 26.576 10.658 1.00 0.00 C ATOM 527 NZ LYS A 33 39.363 25.744 10.552 1.00 0.00 N ATOM 0 H LYS A 33 40.327 23.504 14.558 1.00 0.00 H new ATOM 0 HA LYS A 33 43.149 24.206 14.413 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.598 25.885 14.732 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.197 26.557 14.481 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.362 25.203 12.324 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.699 24.703 12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 33 40.048 27.177 12.662 1.00 0.00 H new ATOM 0 HD3 LYS A 33 41.698 27.576 12.227 1.00 0.00 H new ATOM 0 HE2 LYS A 33 40.447 27.530 10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 33 41.427 26.077 10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 38.637 26.265 10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.585 24.856 10.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.006 25.530 11.505 1.00 0.00 H new ATOM 541 N GLU A 34 41.461 24.484 17.236 1.00 0.00 N ATOM 542 CA GLU A 34 41.632 24.740 18.678 1.00 0.00 C ATOM 543 C GLU A 34 41.818 23.452 19.484 1.00 0.00 C ATOM 544 O GLU A 34 42.148 23.505 20.669 1.00 0.00 O ATOM 545 CB GLU A 34 40.415 25.500 19.215 1.00 0.00 C ATOM 546 CG GLU A 34 40.142 26.720 18.331 1.00 0.00 C ATOM 547 CD GLU A 34 39.106 27.625 18.990 1.00 0.00 C ATOM 548 OE1 GLU A 34 38.229 27.102 19.657 1.00 0.00 O ATOM 549 OE2 GLU A 34 39.204 28.829 18.816 1.00 0.00 O ATOM 0 H GLU A 34 40.533 24.154 16.969 1.00 0.00 H new ATOM 0 HA GLU A 34 42.537 25.336 18.794 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.543 24.846 19.230 1.00 0.00 H new ATOM 0 HB3 GLU A 34 40.595 25.816 20.243 1.00 0.00 H new ATOM 0 HG2 GLU A 34 41.067 27.273 18.166 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.785 26.397 17.353 1.00 0.00 H new ATOM 556 N GLY A 35 41.644 22.302 18.843 1.00 0.00 N ATOM 557 CA GLY A 35 41.833 21.021 19.523 1.00 0.00 C ATOM 558 C GLY A 35 40.835 20.809 20.665 1.00 0.00 C ATOM 559 O GLY A 35 41.047 19.952 21.521 1.00 0.00 O ATOM 0 H GLY A 35 41.375 22.227 17.862 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.730 20.211 18.800 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.848 20.969 19.918 1.00 0.00 H new ATOM 563 N ILE A 36 39.749 21.581 20.677 1.00 0.00 N ATOM 564 CA ILE A 36 38.736 21.453 21.722 1.00 0.00 C ATOM 565 C ILE A 36 37.577 20.561 21.239 1.00 0.00 C ATOM 566 O ILE A 36 36.817 20.969 20.360 1.00 0.00 O ATOM 567 CB ILE A 36 38.198 22.842 22.068 1.00 0.00 C ATOM 568 CG1 ILE A 36 39.373 23.802 22.280 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.378 22.754 23.348 1.00 0.00 C ATOM 570 CD1 ILE A 36 38.852 25.194 22.656 1.00 0.00 C ATOM 0 H ILE A 36 39.549 22.297 19.979 1.00 0.00 H new ATOM 0 HA ILE A 36 39.187 20.996 22.603 1.00 0.00 H new ATOM 0 HB ILE A 36 37.571 23.209 21.255 1.00 0.00 H new ATOM 0 HG12 ILE A 36 40.025 23.424 23.068 1.00 0.00 H new ATOM 0 HG13 ILE A 36 39.972 23.862 21.372 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.991 23.741 23.601 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.546 22.065 23.201 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.009 22.393 24.160 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.694 25.870 22.805 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.219 25.574 21.854 1.00 0.00 H new ATOM 0 HD13 ILE A 36 38.272 25.129 23.577 1.00 0.00 H new ATOM 582 N PRO A 37 37.414 19.361 21.774 1.00 0.00 N ATOM 583 CA PRO A 37 36.312 18.446 21.342 1.00 0.00 C ATOM 584 C PRO A 37 34.967 19.178 21.214 1.00 0.00 C ATOM 585 O PRO A 37 34.711 20.144 21.933 1.00 0.00 O ATOM 586 CB PRO A 37 36.267 17.390 22.453 1.00 0.00 C ATOM 587 CG PRO A 37 37.666 17.327 22.975 1.00 0.00 C ATOM 588 CD PRO A 37 38.243 18.742 22.830 1.00 0.00 C ATOM 0 HA PRO A 37 36.491 18.022 20.354 1.00 0.00 H new ATOM 0 HB2 PRO A 37 35.564 17.671 23.237 1.00 0.00 H new ATOM 0 HB3 PRO A 37 35.945 16.423 22.067 1.00 0.00 H new ATOM 0 HG2 PRO A 37 37.678 17.007 24.017 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.259 16.606 22.413 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.177 19.297 23.766 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.295 18.717 22.547 1.00 0.00 H new ATOM 596 N PRO A 38 34.107 18.743 20.322 1.00 0.00 N ATOM 597 CA PRO A 38 32.773 19.385 20.109 1.00 0.00 C ATOM 598 C PRO A 38 31.822 19.142 21.278 1.00 0.00 C ATOM 599 O PRO A 38 30.804 19.820 21.412 1.00 0.00 O ATOM 600 CB PRO A 38 32.262 18.720 18.826 1.00 0.00 C ATOM 601 CG PRO A 38 32.893 17.375 18.845 1.00 0.00 C ATOM 602 CD PRO A 38 34.291 17.592 19.417 1.00 0.00 C ATOM 0 HA PRO A 38 32.841 20.470 20.033 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.174 18.651 18.818 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.552 19.285 17.940 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.320 16.681 19.460 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.940 16.949 17.843 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.649 16.712 19.952 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.018 17.807 18.634 1.00 0.00 H new ATOM 610 N ASP A 39 32.157 18.172 22.118 1.00 0.00 N ATOM 611 CA ASP A 39 31.320 17.853 23.266 1.00 0.00 C ATOM 612 C ASP A 39 31.444 18.923 24.343 1.00 0.00 C ATOM 613 O ASP A 39 30.601 19.014 25.236 1.00 0.00 O ATOM 614 CB ASP A 39 31.719 16.496 23.847 1.00 0.00 C ATOM 615 CG ASP A 39 30.802 16.139 25.013 1.00 0.00 C ATOM 616 OD1 ASP A 39 29.616 15.977 24.780 1.00 0.00 O ATOM 617 OD2 ASP A 39 31.300 16.033 26.122 1.00 0.00 O ATOM 0 H ASP A 39 32.995 17.597 22.028 1.00 0.00 H new ATOM 0 HA ASP A 39 30.284 17.814 22.929 1.00 0.00 H new ATOM 0 HB2 ASP A 39 31.656 15.728 23.076 1.00 0.00 H new ATOM 0 HB3 ASP A 39 32.755 16.526 24.184 1.00 0.00 H new ATOM 622 N GLN A 40 32.503 19.731 24.266 1.00 0.00 N ATOM 623 CA GLN A 40 32.732 20.790 25.253 1.00 0.00 C ATOM 624 C GLN A 40 32.483 22.165 24.646 1.00 0.00 C ATOM 625 O GLN A 40 32.502 23.173 25.357 1.00 0.00 O ATOM 626 CB GLN A 40 34.178 20.725 25.749 1.00 0.00 C ATOM 627 CG GLN A 40 34.434 19.376 26.423 1.00 0.00 C ATOM 628 CD GLN A 40 33.687 19.306 27.750 1.00 0.00 C ATOM 629 OE1 GLN A 40 33.437 20.336 28.377 1.00 0.00 O ATOM 630 NE2 GLN A 40 33.313 18.147 28.218 1.00 0.00 N ATOM 0 H GLN A 40 33.212 19.674 23.535 1.00 0.00 H new ATOM 0 HA GLN A 40 32.040 20.638 26.081 1.00 0.00 H new ATOM 0 HB2 GLN A 40 34.865 20.861 24.914 1.00 0.00 H new ATOM 0 HB3 GLN A 40 34.368 21.535 26.453 1.00 0.00 H new ATOM 0 HG2 GLN A 40 34.108 18.566 25.770 1.00 0.00 H new ATOM 0 HG3 GLN A 40 35.503 19.241 26.590 1.00 0.00 H new ATOM 0 HE21 GLN A 40 33.521 17.295 27.697 1.00 0.00 H new ATOM 0 HE22 GLN A 40 32.812 18.093 29.105 1.00 0.00 H new ATOM 639 N GLN A 41 32.271 22.210 23.328 1.00 0.00 N ATOM 640 CA GLN A 41 32.049 23.481 22.632 1.00 0.00 C ATOM 641 C GLN A 41 30.588 23.682 22.250 1.00 0.00 C ATOM 642 O GLN A 41 29.922 22.766 21.768 1.00 0.00 O ATOM 643 CB GLN A 41 32.896 23.518 21.358 1.00 0.00 C ATOM 644 CG GLN A 41 34.379 23.393 21.717 1.00 0.00 C ATOM 645 CD GLN A 41 34.917 24.739 22.191 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.496 25.248 23.228 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.828 25.351 21.487 1.00 0.00 N ATOM 0 H GLN A 41 32.248 21.388 22.725 1.00 0.00 H new ATOM 0 HA GLN A 41 32.335 24.280 23.316 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.604 22.706 20.692 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.720 24.450 20.820 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.511 22.644 22.498 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.944 23.051 20.850 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.177 24.928 20.627 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.192 26.252 21.797 1.00 0.00 H new ATOM 656 N ARG A 42 30.116 24.909 22.455 1.00 0.00 N ATOM 657 CA ARG A 42 28.747 25.295 22.121 1.00 0.00 C ATOM 658 C ARG A 42 28.792 26.605 21.340 1.00 0.00 C ATOM 659 O ARG A 42 29.580 27.493 21.667 1.00 0.00 O ATOM 660 CB ARG A 42 27.918 25.477 23.400 1.00 0.00 C ATOM 661 CG ARG A 42 27.769 24.130 24.138 1.00 0.00 C ATOM 662 CD ARG A 42 26.544 23.369 23.614 1.00 0.00 C ATOM 663 NE ARG A 42 25.315 24.053 24.005 1.00 0.00 N ATOM 664 CZ ARG A 42 24.826 23.944 25.237 1.00 0.00 C ATOM 665 NH1 ARG A 42 23.719 24.558 25.557 1.00 0.00 N ATOM 666 NH2 ARG A 42 25.450 23.223 26.127 1.00 0.00 N ATOM 0 H ARG A 42 30.671 25.664 22.857 1.00 0.00 H new ATOM 0 HA ARG A 42 28.280 24.515 21.519 1.00 0.00 H new ATOM 0 HB2 ARG A 42 28.399 26.206 24.053 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.934 25.873 23.150 1.00 0.00 H new ATOM 0 HG2 ARG A 42 28.667 23.529 23.997 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.667 24.304 25.209 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.594 23.290 22.528 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.543 22.353 24.008 1.00 0.00 H new ATOM 0 HE ARG A 42 24.822 24.626 23.320 1.00 0.00 H new ATOM 0 HH11 ARG A 42 23.229 25.121 24.862 1.00 0.00 H new ATOM 0 HH12 ARG A 42 23.344 24.474 26.502 1.00 0.00 H new ATOM 0 HH21 ARG A 42 26.314 22.742 25.879 1.00 0.00 H new ATOM 0 HH22 ARG A 42 25.074 23.140 27.071 1.00 0.00 H new ATOM 680 N LEU A 43 27.966 26.725 20.298 1.00 0.00 N ATOM 681 CA LEU A 43 27.947 27.941 19.472 1.00 0.00 C ATOM 682 C LEU A 43 26.568 28.597 19.507 1.00 0.00 C ATOM 683 O LEU A 43 25.547 27.923 19.356 1.00 0.00 O ATOM 684 CB LEU A 43 28.308 27.588 18.025 1.00 0.00 C ATOM 685 CG LEU A 43 29.568 26.711 17.996 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.838 26.259 16.558 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.771 27.510 18.512 1.00 0.00 C ATOM 0 H LEU A 43 27.306 26.004 20.006 1.00 0.00 H new ATOM 0 HA LEU A 43 28.678 28.643 19.874 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.478 27.062 17.553 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.476 28.499 17.451 1.00 0.00 H new ATOM 0 HG LEU A 43 29.415 25.840 18.634 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.732 25.636 16.534 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.987 25.686 16.191 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.988 27.133 15.924 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.662 26.882 18.489 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.926 28.384 17.879 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.581 27.833 19.536 1.00 0.00 H new ATOM 699 N ILE A 44 26.543 29.919 19.722 1.00 0.00 N ATOM 700 CA ILE A 44 25.279 30.664 19.791 1.00 0.00 C ATOM 701 C ILE A 44 25.304 31.890 18.872 1.00 0.00 C ATOM 702 O ILE A 44 26.333 32.554 18.716 1.00 0.00 O ATOM 703 CB ILE A 44 25.020 31.105 21.236 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.382 29.951 22.183 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.542 31.476 21.403 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.840 30.226 23.591 1.00 0.00 C ATOM 0 H ILE A 44 27.377 30.491 19.850 1.00 0.00 H new ATOM 0 HA ILE A 44 24.477 30.006 19.456 1.00 0.00 H new ATOM 0 HB ILE A 44 25.631 31.976 21.473 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.968 29.017 21.803 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.464 29.829 22.220 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.359 31.789 22.431 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.293 32.292 20.725 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.921 30.610 21.172 1.00 0.00 H new ATOM 0 HD11 ILE A 44 25.104 29.399 24.251 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.274 31.149 23.974 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.755 30.325 23.550 1.00 0.00 H new ATOM 718 N PHE A 45 24.143 32.181 18.286 1.00 0.00 N ATOM 719 CA PHE A 45 23.975 33.324 17.388 1.00 0.00 C ATOM 720 C PHE A 45 22.543 33.832 17.505 1.00 0.00 C ATOM 721 O PHE A 45 21.617 33.039 17.667 1.00 0.00 O ATOM 722 CB PHE A 45 24.247 32.903 15.942 1.00 0.00 C ATOM 723 CG PHE A 45 24.056 34.084 15.013 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.051 35.065 14.912 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.888 34.193 14.247 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.879 36.152 14.046 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.715 35.282 13.382 1.00 0.00 C ATOM 728 CZ PHE A 45 23.711 36.261 13.281 1.00 0.00 C ATOM 0 H PHE A 45 23.294 31.632 18.420 1.00 0.00 H new ATOM 0 HA PHE A 45 24.678 34.110 17.664 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.263 32.519 15.851 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.574 32.094 15.658 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.952 34.983 15.503 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.120 33.437 14.323 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.648 36.907 13.968 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.813 35.366 12.793 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.579 37.100 12.614 1.00 0.00 H new ATOM 738 N ALA A 46 22.350 35.143 17.434 1.00 0.00 N ATOM 739 CA ALA A 46 21.004 35.687 17.553 1.00 0.00 C ATOM 740 C ALA A 46 20.349 35.137 18.817 1.00 0.00 C ATOM 741 O ALA A 46 19.153 34.845 18.847 1.00 0.00 O ATOM 742 CB ALA A 46 20.174 35.315 16.321 1.00 0.00 C ATOM 0 H ALA A 46 23.088 35.834 17.298 1.00 0.00 H new ATOM 0 HA ALA A 46 21.056 36.774 17.618 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.170 35.727 16.421 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.646 35.723 15.427 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.114 34.230 16.237 1.00 0.00 H new ATOM 748 N GLY A 47 21.165 35.017 19.861 1.00 0.00 N ATOM 749 CA GLY A 47 20.713 34.529 21.161 1.00 0.00 C ATOM 750 C GLY A 47 20.171 33.096 21.120 1.00 0.00 C ATOM 751 O GLY A 47 19.583 32.640 22.101 1.00 0.00 O ATOM 0 H GLY A 47 22.156 35.255 19.830 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.543 34.575 21.866 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.935 35.193 21.539 1.00 0.00 H new ATOM 755 N LYS A 48 20.361 32.382 20.004 1.00 0.00 N ATOM 756 CA LYS A 48 19.865 30.994 19.894 1.00 0.00 C ATOM 757 C LYS A 48 21.004 29.998 19.706 1.00 0.00 C ATOM 758 O LYS A 48 21.971 30.266 18.991 1.00 0.00 O ATOM 759 CB LYS A 48 18.904 30.867 18.713 1.00 0.00 C ATOM 760 CG LYS A 48 18.268 29.473 18.712 1.00 0.00 C ATOM 761 CD LYS A 48 17.129 29.452 17.693 1.00 0.00 C ATOM 762 CE LYS A 48 16.445 28.085 17.702 1.00 0.00 C ATOM 763 NZ LYS A 48 15.792 27.865 19.023 1.00 0.00 N ATOM 0 H LYS A 48 20.845 32.729 19.176 1.00 0.00 H new ATOM 0 HA LYS A 48 19.350 30.764 20.827 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.129 31.631 18.779 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.438 31.034 17.778 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.013 28.718 18.461 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.890 29.230 19.705 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.405 30.232 17.929 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.517 29.667 16.697 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.704 28.032 16.905 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.176 27.299 17.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.064 27.128 18.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.505 27.563 19.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.350 28.750 19.344 1.00 0.00 H new ATOM 777 N GLN A 49 20.860 28.835 20.339 1.00 0.00 N ATOM 778 CA GLN A 49 21.850 27.778 20.237 1.00 0.00 C ATOM 779 C GLN A 49 21.644 26.992 18.943 1.00 0.00 C ATOM 780 O GLN A 49 20.520 26.616 18.611 1.00 0.00 O ATOM 781 CB GLN A 49 21.719 26.833 21.429 1.00 0.00 C ATOM 782 CG GLN A 49 22.134 27.556 22.712 1.00 0.00 C ATOM 783 CD GLN A 49 21.807 26.694 23.929 1.00 0.00 C ATOM 784 OE1 GLN A 49 21.051 25.727 23.822 1.00 0.00 O ATOM 785 NE2 GLN A 49 22.332 26.988 25.088 1.00 0.00 N ATOM 0 H GLN A 49 20.061 28.606 20.930 1.00 0.00 H new ATOM 0 HA GLN A 49 22.844 28.225 20.232 1.00 0.00 H new ATOM 0 HB2 GLN A 49 20.691 26.482 21.515 1.00 0.00 H new ATOM 0 HB3 GLN A 49 22.345 25.953 21.278 1.00 0.00 H new ATOM 0 HG2 GLN A 49 23.202 27.774 22.687 1.00 0.00 H new ATOM 0 HG3 GLN A 49 21.616 28.512 22.784 1.00 0.00 H new ATOM 0 HE21 GLN A 49 22.958 27.789 25.176 1.00 0.00 H new ATOM 0 HE22 GLN A 49 22.116 26.417 25.905 1.00 0.00 H new ATOM 794 N LEU A 50 22.726 26.757 18.210 1.00 0.00 N ATOM 795 CA LEU A 50 22.632 26.023 16.948 1.00 0.00 C ATOM 796 C LEU A 50 22.467 24.524 17.200 1.00 0.00 C ATOM 797 O LEU A 50 23.242 23.917 17.939 1.00 0.00 O ATOM 798 CB LEU A 50 23.879 26.279 16.100 1.00 0.00 C ATOM 799 CG LEU A 50 24.193 27.779 16.094 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.351 28.056 15.132 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.954 28.567 15.644 1.00 0.00 C ATOM 0 H LEU A 50 23.668 27.058 18.461 1.00 0.00 H new ATOM 0 HA LEU A 50 21.753 26.378 16.409 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.725 25.721 16.501 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.718 25.926 15.081 1.00 0.00 H new ATOM 0 HG LEU A 50 24.473 28.091 17.100 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.574 29.123 15.128 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.233 27.502 15.455 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.072 27.740 14.127 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.182 29.633 15.641 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.669 28.254 14.639 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.130 28.374 16.331 1.00 0.00 H new ATOM 813 N GLU A 51 21.437 23.941 16.585 1.00 0.00 N ATOM 814 CA GLU A 51 21.149 22.515 16.747 1.00 0.00 C ATOM 815 C GLU A 51 21.969 21.659 15.785 1.00 0.00 C ATOM 816 O GLU A 51 22.163 22.003 14.614 1.00 0.00 O ATOM 817 CB GLU A 51 19.653 22.254 16.505 1.00 0.00 C ATOM 818 CG GLU A 51 18.860 22.568 17.775 1.00 0.00 C ATOM 819 CD GLU A 51 17.376 22.299 17.546 1.00 0.00 C ATOM 820 OE1 GLU A 51 16.938 22.426 16.414 1.00 0.00 O ATOM 821 OE2 GLU A 51 16.699 21.969 18.506 1.00 0.00 O ATOM 0 H GLU A 51 20.789 24.434 15.971 1.00 0.00 H new ATOM 0 HA GLU A 51 21.420 22.238 17.766 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.296 22.871 15.680 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.498 21.214 16.216 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.225 21.958 18.601 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.009 23.610 18.058 1.00 0.00 H new ATOM 828 N ASP A 52 22.428 20.526 16.294 1.00 0.00 N ATOM 829 CA ASP A 52 23.208 19.602 15.499 1.00 0.00 C ATOM 830 C ASP A 52 22.352 18.998 14.389 1.00 0.00 C ATOM 831 O ASP A 52 21.231 18.553 14.632 1.00 0.00 O ATOM 832 CB ASP A 52 23.757 18.485 16.389 1.00 0.00 C ATOM 833 CG ASP A 52 24.563 19.083 17.536 1.00 0.00 C ATOM 834 OD1 ASP A 52 23.956 19.489 18.513 1.00 0.00 O ATOM 835 OD2 ASP A 52 25.777 19.127 17.421 1.00 0.00 O ATOM 0 H ASP A 52 22.271 20.228 17.257 1.00 0.00 H new ATOM 0 HA ASP A 52 24.037 20.147 15.047 1.00 0.00 H new ATOM 0 HB2 ASP A 52 22.936 17.886 16.784 1.00 0.00 H new ATOM 0 HB3 ASP A 52 24.386 17.816 15.801 1.00 0.00 H new ATOM 840 N GLY A 53 22.891 18.976 13.170 1.00 0.00 N ATOM 841 CA GLY A 53 22.172 18.413 12.024 1.00 0.00 C ATOM 842 C GLY A 53 21.601 19.505 11.120 1.00 0.00 C ATOM 843 O GLY A 53 21.149 19.218 10.011 1.00 0.00 O ATOM 0 H GLY A 53 23.818 19.339 12.950 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.846 17.780 11.447 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.363 17.776 12.380 1.00 0.00 H new ATOM 847 N ARG A 54 21.632 20.760 11.579 1.00 0.00 N ATOM 848 CA ARG A 54 21.118 21.869 10.764 1.00 0.00 C ATOM 849 C ARG A 54 22.248 22.531 9.976 1.00 0.00 C ATOM 850 O ARG A 54 23.418 22.431 10.344 1.00 0.00 O ATOM 851 CB ARG A 54 20.441 22.912 11.658 1.00 0.00 C ATOM 852 CG ARG A 54 19.112 22.359 12.184 1.00 0.00 C ATOM 853 CD ARG A 54 18.295 23.496 12.795 1.00 0.00 C ATOM 854 NE ARG A 54 16.997 23.003 13.238 1.00 0.00 N ATOM 855 CZ ARG A 54 16.039 23.841 13.619 1.00 0.00 C ATOM 856 NH1 ARG A 54 14.896 23.378 14.045 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.239 25.129 13.556 1.00 0.00 N ATOM 0 H ARG A 54 21.999 21.032 12.491 1.00 0.00 H new ATOM 0 HA ARG A 54 20.389 21.464 10.062 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.094 23.169 12.492 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.267 23.829 11.095 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.554 21.891 11.373 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.297 21.587 12.931 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.834 23.929 13.638 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.159 24.291 12.061 1.00 0.00 H new ATOM 0 HE ARG A 54 16.821 21.998 13.256 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.737 22.371 14.086 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.162 24.023 14.337 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.130 25.491 13.215 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.505 25.774 13.848 1.00 0.00 H new ATOM 871 N THR A 55 21.887 23.213 8.888 1.00 0.00 N ATOM 872 CA THR A 55 22.871 23.904 8.047 1.00 0.00 C ATOM 873 C THR A 55 22.865 25.394 8.365 1.00 0.00 C ATOM 874 O THR A 55 21.895 25.904 8.918 1.00 0.00 O ATOM 875 CB THR A 55 22.527 23.698 6.569 1.00 0.00 C ATOM 876 OG1 THR A 55 21.156 24.008 6.359 1.00 0.00 O ATOM 877 CG2 THR A 55 22.790 22.242 6.175 1.00 0.00 C ATOM 0 H THR A 55 20.923 23.303 8.567 1.00 0.00 H new ATOM 0 HA THR A 55 23.861 23.494 8.249 1.00 0.00 H new ATOM 0 HB THR A 55 23.148 24.352 5.957 1.00 0.00 H new ATOM 0 HG1 THR A 55 20.932 23.879 5.414 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.544 22.100 5.123 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.842 22.006 6.337 1.00 0.00 H new ATOM 0 HG23 THR A 55 22.172 21.583 6.784 1.00 0.00 H new ATOM 885 N LEU A 56 23.937 26.100 8.013 1.00 0.00 N ATOM 886 CA LEU A 56 23.987 27.534 8.283 1.00 0.00 C ATOM 887 C LEU A 56 22.818 28.234 7.583 1.00 0.00 C ATOM 888 O LEU A 56 22.205 29.133 8.155 1.00 0.00 O ATOM 889 CB LEU A 56 25.340 28.136 7.828 1.00 0.00 C ATOM 890 CG LEU A 56 26.334 28.199 9.004 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.746 26.779 9.411 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.574 28.998 8.582 1.00 0.00 C ATOM 0 H LEU A 56 24.762 25.716 7.552 1.00 0.00 H new ATOM 0 HA LEU A 56 23.900 27.691 9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.760 27.532 7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.181 29.137 7.426 1.00 0.00 H new ATOM 0 HG LEU A 56 25.859 28.690 9.854 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.449 26.828 10.243 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.863 26.217 9.715 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.220 26.281 8.565 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.278 29.043 9.413 1.00 0.00 H new ATOM 0 HD22 LEU A 56 28.049 28.510 7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.278 30.009 8.302 1.00 0.00 H new ATOM 904 N SER A 57 22.514 27.833 6.345 1.00 0.00 N ATOM 905 CA SER A 57 21.419 28.456 5.605 1.00 0.00 C ATOM 906 C SER A 57 20.161 28.505 6.459 1.00 0.00 C ATOM 907 O SER A 57 19.411 29.481 6.417 1.00 0.00 O ATOM 908 CB SER A 57 21.124 27.676 4.322 1.00 0.00 C ATOM 909 OG SER A 57 22.249 27.750 3.456 1.00 0.00 O ATOM 0 H SER A 57 23.003 27.092 5.843 1.00 0.00 H new ATOM 0 HA SER A 57 21.722 29.471 5.347 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.901 26.636 4.559 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.243 28.086 3.828 1.00 0.00 H new ATOM 0 HG SER A 57 23.046 27.431 3.928 1.00 0.00 H new ATOM 915 N ASP A 58 19.940 27.457 7.245 1.00 0.00 N ATOM 916 CA ASP A 58 18.774 27.411 8.113 1.00 0.00 C ATOM 917 C ASP A 58 18.757 28.656 8.989 1.00 0.00 C ATOM 918 O ASP A 58 17.718 29.285 9.185 1.00 0.00 O ATOM 919 CB ASP A 58 18.828 26.158 8.995 1.00 0.00 C ATOM 920 CG ASP A 58 18.882 24.904 8.126 1.00 0.00 C ATOM 921 OD1 ASP A 58 18.573 25.006 6.950 1.00 0.00 O ATOM 922 OD2 ASP A 58 19.231 23.858 8.650 1.00 0.00 O ATOM 0 H ASP A 58 20.546 26.638 7.298 1.00 0.00 H new ATOM 0 HA ASP A 58 17.869 27.376 7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.703 26.198 9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.953 26.123 9.643 1.00 0.00 H new ATOM 927 N TYR A 59 19.936 29.006 9.497 1.00 0.00 N ATOM 928 CA TYR A 59 20.108 30.181 10.348 1.00 0.00 C ATOM 929 C TYR A 59 20.723 31.321 9.537 1.00 0.00 C ATOM 930 O TYR A 59 21.884 31.235 9.175 1.00 0.00 O ATOM 931 CB TYR A 59 21.058 29.832 11.495 1.00 0.00 C ATOM 932 CG TYR A 59 20.430 28.786 12.386 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.897 27.463 12.359 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.385 29.141 13.243 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.314 26.499 13.190 1.00 0.00 C ATOM 936 CE2 TYR A 59 18.802 28.177 14.073 1.00 0.00 C ATOM 937 CZ TYR A 59 19.267 26.856 14.048 1.00 0.00 C ATOM 938 OH TYR A 59 18.691 25.908 14.869 1.00 0.00 O ATOM 0 H TYR A 59 20.797 28.485 9.331 1.00 0.00 H new ATOM 0 HA TYR A 59 19.137 30.488 10.737 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.003 29.462 11.096 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.285 30.727 12.075 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.706 27.189 11.698 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.027 30.160 13.265 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.672 25.480 13.169 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.993 28.452 14.733 1.00 0.00 H new ATOM 0 HH TYR A 59 17.980 26.324 15.400 1.00 0.00 H new ATOM 948 N ASN A 60 19.914 32.335 9.199 1.00 0.00 N ATOM 949 CA ASN A 60 20.369 33.469 8.365 1.00 0.00 C ATOM 950 C ASN A 60 21.713 34.078 8.819 1.00 0.00 C ATOM 951 O ASN A 60 21.783 35.251 9.189 1.00 0.00 O ATOM 952 CB ASN A 60 19.301 34.568 8.341 1.00 0.00 C ATOM 953 CG ASN A 60 17.921 33.961 8.100 1.00 0.00 C ATOM 954 OD1 ASN A 60 16.988 34.219 8.860 1.00 0.00 O ATOM 955 ND2 ASN A 60 17.732 33.170 7.078 1.00 0.00 N ATOM 0 H ASN A 60 18.938 32.398 9.489 1.00 0.00 H new ATOM 0 HA ASN A 60 20.528 33.060 7.367 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.307 35.111 9.286 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.530 35.290 7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.811 32.766 6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.506 32.957 6.448 1.00 0.00 H new ATOM 962 N ILE A 61 22.765 33.267 8.765 1.00 0.00 N ATOM 963 CA ILE A 61 24.117 33.688 9.136 1.00 0.00 C ATOM 964 C ILE A 61 24.908 33.990 7.863 1.00 0.00 C ATOM 965 O ILE A 61 25.377 33.071 7.195 1.00 0.00 O ATOM 966 CB ILE A 61 24.821 32.557 9.895 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.071 32.244 11.193 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.259 32.971 10.226 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.625 30.947 11.790 1.00 0.00 C ATOM 0 H ILE A 61 22.706 32.295 8.462 1.00 0.00 H new ATOM 0 HA ILE A 61 24.060 34.574 9.769 1.00 0.00 H new ATOM 0 HB ILE A 61 24.833 31.667 9.265 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.187 33.064 11.902 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.004 32.142 10.996 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.755 32.164 10.765 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.800 33.177 9.302 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.246 33.867 10.846 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.096 30.717 12.715 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.486 30.131 11.080 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.688 31.068 12.000 1.00 0.00 H new ATOM 981 N GLN A 62 25.035 35.269 7.508 1.00 0.00 N ATOM 982 CA GLN A 62 25.753 35.636 6.281 1.00 0.00 C ATOM 983 C GLN A 62 27.250 35.794 6.517 1.00 0.00 C ATOM 984 O GLN A 62 27.733 35.702 7.646 1.00 0.00 O ATOM 985 CB GLN A 62 25.192 36.928 5.694 1.00 0.00 C ATOM 986 CG GLN A 62 23.673 36.816 5.572 1.00 0.00 C ATOM 987 CD GLN A 62 23.308 35.657 4.650 1.00 0.00 C ATOM 988 OE1 GLN A 62 23.640 35.677 3.465 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.643 34.642 5.127 1.00 0.00 N ATOM 0 H GLN A 62 24.660 36.056 8.038 1.00 0.00 H new ATOM 0 HA GLN A 62 25.606 34.819 5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 62 25.455 37.773 6.330 1.00 0.00 H new ATOM 0 HB3 GLN A 62 25.633 37.117 4.715 1.00 0.00 H new ATOM 0 HG2 GLN A 62 23.231 36.661 6.556 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.262 37.746 5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.369 34.628 6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.397 33.862 4.518 1.00 0.00 H new ATOM 998 N LYS A 63 27.972 36.008 5.422 1.00 0.00 N ATOM 999 CA LYS A 63 29.421 36.150 5.483 1.00 0.00 C ATOM 1000 C LYS A 63 29.847 37.318 6.363 1.00 0.00 C ATOM 1001 O LYS A 63 29.160 38.336 6.461 1.00 0.00 O ATOM 1002 CB LYS A 63 30.007 36.305 4.075 1.00 0.00 C ATOM 1003 CG LYS A 63 29.586 37.636 3.438 1.00 0.00 C ATOM 1004 CD LYS A 63 30.011 37.639 1.953 1.00 0.00 C ATOM 1005 CE LYS A 63 28.900 37.033 1.086 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.823 38.041 0.887 1.00 0.00 N ATOM 0 H LYS A 63 27.578 36.087 4.484 1.00 0.00 H new ATOM 0 HA LYS A 63 29.814 35.239 5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.095 36.251 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 63 29.674 35.478 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.507 37.769 3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.051 38.469 3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.221 38.658 1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.932 37.069 1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.304 36.722 0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.495 36.142 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.903 37.559 0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.815 38.703 1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.997 38.566 0.006 1.00 0.00 H new ATOM 1020 N GLU A 64 31.007 37.145 6.990 1.00 0.00 N ATOM 1021 CA GLU A 64 31.583 38.160 7.864 1.00 0.00 C ATOM 1022 C GLU A 64 30.645 38.532 9.011 1.00 0.00 C ATOM 1023 O GLU A 64 30.156 39.660 9.086 1.00 0.00 O ATOM 1024 CB GLU A 64 31.946 39.401 7.049 1.00 0.00 C ATOM 1025 CG GLU A 64 32.965 39.005 5.977 1.00 0.00 C ATOM 1026 CD GLU A 64 33.373 40.223 5.157 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.863 41.172 5.746 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.192 40.187 3.951 1.00 0.00 O ATOM 0 H GLU A 64 31.572 36.300 6.906 1.00 0.00 H new ATOM 0 HA GLU A 64 32.485 37.740 8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 64 31.054 39.822 6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 64 32.361 40.171 7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.844 38.564 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.538 38.245 5.323 1.00 0.00 H new HETATM 1035 N SEP A 65 30.434 37.582 9.927 1.00 0.00 N HETATM 1036 CA SEP A 65 29.593 37.804 11.106 1.00 0.00 C HETATM 1037 CB SEP A 65 28.270 37.045 10.964 1.00 0.00 C HETATM 1038 OG SEP A 65 27.541 37.565 9.857 1.00 0.00 O HETATM 1039 C SEP A 65 30.346 37.300 12.334 1.00 0.00 C HETATM 1040 O SEP A 65 31.231 36.452 12.207 1.00 0.00 O HETATM 1041 P SEP A 65 26.587 38.757 10.044 1.00 0.00 P HETATM 1042 O1P SEP A 65 27.076 39.481 11.345 1.00 0.00 O HETATM 1043 O2P SEP A 65 25.159 38.127 10.186 1.00 0.00 O HETATM 1044 O3P SEP A 65 26.754 39.626 8.751 1.00 0.00 O HETATM 0 HB3 SEP A 65 28.462 35.982 10.820 1.00 0.00 H new HETATM 0 HB2 SEP A 65 27.683 37.142 11.877 1.00 0.00 H new HETATM 0 HA SEP A 65 29.371 38.866 11.207 1.00 0.00 H new ATOM 1049 N THR A 66 30.011 37.803 13.523 1.00 0.00 N ATOM 1050 CA THR A 66 30.693 37.355 14.742 1.00 0.00 C ATOM 1051 C THR A 66 29.876 36.279 15.451 1.00 0.00 C ATOM 1052 O THR A 66 28.722 36.501 15.821 1.00 0.00 O ATOM 1053 CB THR A 66 30.910 38.537 15.690 1.00 0.00 C ATOM 1054 OG1 THR A 66 31.716 39.513 15.044 1.00 0.00 O ATOM 1055 CG2 THR A 66 31.614 38.049 16.960 1.00 0.00 C ATOM 0 H THR A 66 29.287 38.506 13.669 1.00 0.00 H new ATOM 0 HA THR A 66 31.658 36.936 14.458 1.00 0.00 H new ATOM 0 HB THR A 66 29.948 38.976 15.956 1.00 0.00 H new ATOM 0 HG1 THR A 66 31.856 40.273 15.647 1.00 0.00 H new ATOM 0 HG21 THR A 66 31.769 38.890 17.636 1.00 0.00 H new ATOM 0 HG22 THR A 66 30.997 37.297 17.452 1.00 0.00 H new ATOM 0 HG23 THR A 66 32.577 37.612 16.697 1.00 0.00 H new ATOM 1063 N LEU A 67 30.490 35.110 15.641 1.00 0.00 N ATOM 1064 CA LEU A 67 29.829 33.988 16.313 1.00 0.00 C ATOM 1065 C LEU A 67 30.303 33.904 17.763 1.00 0.00 C ATOM 1066 O LEU A 67 31.453 34.230 18.058 1.00 0.00 O ATOM 1067 CB LEU A 67 30.174 32.678 15.581 1.00 0.00 C ATOM 1068 CG LEU A 67 29.256 32.488 14.363 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.802 32.233 14.817 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.318 33.744 13.480 1.00 0.00 C ATOM 0 H LEU A 67 31.445 34.915 15.339 1.00 0.00 H new ATOM 0 HA LEU A 67 28.750 34.141 16.296 1.00 0.00 H new ATOM 0 HB2 LEU A 67 31.216 32.697 15.260 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.065 31.834 16.262 1.00 0.00 H new ATOM 0 HG LEU A 67 29.595 31.623 13.793 1.00 0.00 H new ATOM 0 HD11 LEU A 67 27.166 32.101 13.942 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.765 31.334 15.432 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.448 33.084 15.398 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.668 33.613 12.615 1.00 0.00 H new ATOM 0 HD22 LEU A 67 28.987 34.609 14.054 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.343 33.902 13.143 1.00 0.00 H new ATOM 1082 N HIS A 68 29.426 33.464 18.673 1.00 0.00 N ATOM 1083 CA HIS A 68 29.802 33.349 20.081 1.00 0.00 C ATOM 1084 C HIS A 68 30.245 31.917 20.391 1.00 0.00 C ATOM 1085 O HIS A 68 29.465 30.976 20.235 1.00 0.00 O ATOM 1086 CB HIS A 68 28.611 33.720 20.966 1.00 0.00 C ATOM 1087 CG HIS A 68 28.170 35.126 20.654 1.00 0.00 C ATOM 1088 ND1 HIS A 68 28.648 36.225 21.353 1.00 0.00 N ATOM 1089 CD2 HIS A 68 27.297 35.627 19.721 1.00 0.00 C ATOM 1090 CE1 HIS A 68 28.064 37.321 20.834 1.00 0.00 C ATOM 1091 NE2 HIS A 68 27.231 37.013 19.836 1.00 0.00 N ATOM 0 H HIS A 68 28.467 33.187 18.462 1.00 0.00 H new ATOM 0 HA HIS A 68 30.629 34.030 20.283 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.789 33.024 20.798 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.887 33.639 22.017 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.745 35.036 19.006 1.00 0.00 H new ATOM 0 HE1 HIS A 68 28.247 38.327 21.182 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.668 37.655 19.278 1.00 0.00 H new ATOM 1100 N LEU A 69 31.497 31.748 20.837 1.00 0.00 N ATOM 1101 CA LEU A 69 32.029 30.442 21.169 1.00 0.00 C ATOM 1102 C LEU A 69 32.180 30.346 22.673 1.00 0.00 C ATOM 1103 O LEU A 69 33.034 30.996 23.277 1.00 0.00 O ATOM 1104 CB LEU A 69 33.385 30.245 20.485 1.00 0.00 C ATOM 1105 CG LEU A 69 33.790 28.759 20.514 1.00 0.00 C ATOM 1106 CD1 LEU A 69 35.035 28.551 19.643 1.00 0.00 C ATOM 1107 CD2 LEU A 69 34.094 28.318 21.958 1.00 0.00 C ATOM 0 H LEU A 69 32.157 32.514 20.973 1.00 0.00 H new ATOM 0 HA LEU A 69 31.351 29.663 20.821 1.00 0.00 H new ATOM 0 HB2 LEU A 69 33.334 30.594 19.454 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.144 30.845 20.987 1.00 0.00 H new ATOM 0 HG LEU A 69 32.966 28.160 20.127 1.00 0.00 H new ATOM 0 HD11 LEU A 69 35.322 27.500 19.663 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.815 28.847 18.617 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.854 29.158 20.028 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.379 27.266 21.965 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.912 28.918 22.357 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.207 28.458 22.575 1.00 0.00 H new ATOM 1119 N VAL A 70 31.334 29.526 23.261 1.00 0.00 N ATOM 1120 CA VAL A 70 31.334 29.309 24.706 1.00 0.00 C ATOM 1121 C VAL A 70 31.440 27.820 25.006 1.00 0.00 C ATOM 1122 O VAL A 70 31.017 26.982 24.209 1.00 0.00 O ATOM 1123 CB VAL A 70 30.048 29.876 25.309 1.00 0.00 C ATOM 1124 CG1 VAL A 70 28.840 29.107 24.763 1.00 0.00 C ATOM 1125 CG2 VAL A 70 30.097 29.740 26.832 1.00 0.00 C ATOM 0 H VAL A 70 30.626 28.989 22.759 1.00 0.00 H new ATOM 0 HA VAL A 70 32.191 29.818 25.148 1.00 0.00 H new ATOM 0 HB VAL A 70 29.955 30.928 25.041 1.00 0.00 H new ATOM 0 HG11 VAL A 70 27.925 29.513 25.194 1.00 0.00 H new ATOM 0 HG12 VAL A 70 28.805 29.207 23.678 1.00 0.00 H new ATOM 0 HG13 VAL A 70 28.929 28.053 25.028 1.00 0.00 H new ATOM 0 HG21 VAL A 70 29.181 30.144 27.263 1.00 0.00 H new ATOM 0 HG22 VAL A 70 30.191 28.688 27.100 1.00 0.00 H new ATOM 0 HG23 VAL A 70 30.954 30.291 27.219 1.00 0.00 H new ATOM 1135 N LEU A 71 32.017 27.494 26.157 1.00 0.00 N ATOM 1136 CA LEU A 71 32.182 26.101 26.546 1.00 0.00 C ATOM 1137 C LEU A 71 30.880 25.532 27.087 1.00 0.00 C ATOM 1138 O LEU A 71 29.855 26.214 27.124 1.00 0.00 O ATOM 1139 CB LEU A 71 33.278 25.978 27.610 1.00 0.00 C ATOM 1140 CG LEU A 71 34.472 26.876 27.246 1.00 0.00 C ATOM 1141 CD1 LEU A 71 35.668 26.525 28.136 1.00 0.00 C ATOM 1142 CD2 LEU A 71 34.854 26.672 25.773 1.00 0.00 C ATOM 0 H LEU A 71 32.375 28.170 26.831 1.00 0.00 H new ATOM 0 HA LEU A 71 32.470 25.533 25.661 1.00 0.00 H new ATOM 0 HB2 LEU A 71 32.883 26.263 28.585 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.604 24.941 27.689 1.00 0.00 H new ATOM 0 HG LEU A 71 34.193 27.918 27.402 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.514 27.162 27.877 1.00 0.00 H new ATOM 0 HD12 LEU A 71 35.402 26.682 29.181 1.00 0.00 H new ATOM 0 HD13 LEU A 71 35.941 25.481 27.984 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.701 27.312 25.525 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.127 25.630 25.609 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.006 26.929 25.138 1.00 0.00 H new ATOM 1154 N ARG A 72 30.932 24.277 27.508 1.00 0.00 N ATOM 1155 CA ARG A 72 29.752 23.616 28.053 1.00 0.00 C ATOM 1156 C ARG A 72 29.506 24.074 29.486 1.00 0.00 C ATOM 1157 O ARG A 72 28.368 24.313 29.888 1.00 0.00 O ATOM 1158 CB ARG A 72 29.941 22.099 28.024 1.00 0.00 C ATOM 1159 CG ARG A 72 28.648 21.412 28.466 1.00 0.00 C ATOM 1160 CD ARG A 72 28.804 19.897 28.326 1.00 0.00 C ATOM 1161 NE ARG A 72 27.599 19.220 28.793 1.00 0.00 N ATOM 1162 CZ ARG A 72 26.523 19.121 28.020 1.00 0.00 C ATOM 1163 NH1 ARG A 72 25.458 18.508 28.459 1.00 0.00 N ATOM 1164 NH2 ARG A 72 26.530 19.637 26.821 1.00 0.00 N ATOM 0 H ARG A 72 31.771 23.698 27.484 1.00 0.00 H new ATOM 0 HA ARG A 72 28.890 23.882 27.441 1.00 0.00 H new ATOM 0 HB2 ARG A 72 30.211 21.775 27.019 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.761 21.812 28.683 1.00 0.00 H new ATOM 0 HG2 ARG A 72 28.421 21.671 29.500 1.00 0.00 H new ATOM 0 HG3 ARG A 72 27.812 21.760 27.859 1.00 0.00 H new ATOM 0 HD2 ARG A 72 28.994 19.639 27.284 1.00 0.00 H new ATOM 0 HD3 ARG A 72 29.666 19.558 28.901 1.00 0.00 H new ATOM 0 HE ARG A 72 27.582 18.816 29.729 1.00 0.00 H new ATOM 0 HH11 ARG A 72 25.451 18.105 29.396 1.00 0.00 H new ATOM 0 HH12 ARG A 72 24.632 18.432 27.865 1.00 0.00 H new ATOM 0 HH21 ARG A 72 27.362 20.117 26.477 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.704 19.561 26.228 1.00 0.00 H new ATOM 1178 N LEU A 73 30.583 24.193 30.253 1.00 0.00 N ATOM 1179 CA LEU A 73 30.475 24.621 31.640 1.00 0.00 C ATOM 1180 C LEU A 73 29.546 23.688 32.411 1.00 0.00 C ATOM 1181 O LEU A 73 28.333 23.692 32.203 1.00 0.00 O ATOM 1182 CB LEU A 73 29.944 26.059 31.710 1.00 0.00 C ATOM 1183 CG LEU A 73 30.085 26.604 33.143 1.00 0.00 C ATOM 1184 CD1 LEU A 73 31.550 26.968 33.437 1.00 0.00 C ATOM 1185 CD2 LEU A 73 29.210 27.854 33.302 1.00 0.00 C ATOM 0 H LEU A 73 31.534 24.000 29.940 1.00 0.00 H new ATOM 0 HA LEU A 73 31.466 24.585 32.092 1.00 0.00 H new ATOM 0 HB2 LEU A 73 30.495 26.693 31.015 1.00 0.00 H new ATOM 0 HB3 LEU A 73 28.898 26.084 31.404 1.00 0.00 H new ATOM 0 HG LEU A 73 29.764 25.834 33.845 1.00 0.00 H new ATOM 0 HD11 LEU A 73 31.633 27.352 34.454 1.00 0.00 H new ATOM 0 HD12 LEU A 73 32.174 26.080 33.332 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.884 27.731 32.733 1.00 0.00 H new ATOM 0 HD21 LEU A 73 29.309 28.241 34.316 1.00 0.00 H new ATOM 0 HD22 LEU A 73 29.530 28.615 32.590 1.00 0.00 H new ATOM 0 HD23 LEU A 73 28.168 27.595 33.112 1.00 0.00 H new ATOM 1197 N ARG A 74 30.127 22.887 33.299 1.00 0.00 N ATOM 1198 CA ARG A 74 29.348 21.947 34.097 1.00 0.00 C ATOM 1199 C ARG A 74 28.511 22.685 35.138 1.00 0.00 C ATOM 1200 O ARG A 74 27.357 22.334 35.382 1.00 0.00 O ATOM 1201 CB ARG A 74 30.288 20.966 34.800 1.00 0.00 C ATOM 1202 CG ARG A 74 31.005 20.108 33.756 1.00 0.00 C ATOM 1203 CD ARG A 74 31.986 19.166 34.456 1.00 0.00 C ATOM 1204 NE ARG A 74 32.818 18.481 33.473 1.00 0.00 N ATOM 1205 CZ ARG A 74 33.796 17.664 33.851 1.00 0.00 C ATOM 1206 NH1 ARG A 74 34.529 17.064 32.953 1.00 0.00 N ATOM 1207 NH2 ARG A 74 34.022 17.461 35.120 1.00 0.00 N ATOM 0 H ARG A 74 31.130 22.870 33.483 1.00 0.00 H new ATOM 0 HA ARG A 74 28.677 21.403 33.432 1.00 0.00 H new ATOM 0 HB2 ARG A 74 31.016 21.511 35.401 1.00 0.00 H new ATOM 0 HB3 ARG A 74 29.723 20.331 35.483 1.00 0.00 H new ATOM 0 HG2 ARG A 74 30.279 19.533 33.182 1.00 0.00 H new ATOM 0 HG3 ARG A 74 31.537 20.745 33.050 1.00 0.00 H new ATOM 0 HD2 ARG A 74 32.615 19.731 35.145 1.00 0.00 H new ATOM 0 HD3 ARG A 74 31.438 18.436 35.051 1.00 0.00 H new ATOM 0 HE ARG A 74 32.646 18.631 32.479 1.00 0.00 H new ATOM 0 HH11 ARG A 74 34.351 17.222 31.961 1.00 0.00 H new ATOM 0 HH12 ARG A 74 35.279 16.437 33.243 1.00 0.00 H new ATOM 0 HH21 ARG A 74 33.448 17.929 35.821 1.00 0.00 H new ATOM 0 HH22 ARG A 74 34.772 16.834 35.410 1.00 0.00 H new ATOM 1221 N GLY A 75 29.102 23.708 35.748 1.00 0.00 N ATOM 1222 CA GLY A 75 28.401 24.487 36.761 1.00 0.00 C ATOM 1223 C GLY A 75 28.163 23.659 38.019 1.00 0.00 C ATOM 1224 O GLY A 75 27.309 23.991 38.840 1.00 0.00 O ATOM 0 H GLY A 75 30.057 24.014 35.560 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.983 25.374 37.010 1.00 0.00 H new ATOM 0 HA3 GLY A 75 27.447 24.833 36.363 1.00 0.00 H new ATOM 1228 N GLY A 76 28.923 22.578 38.163 1.00 0.00 N ATOM 1229 CA GLY A 76 28.783 21.708 39.326 1.00 0.00 C ATOM 1230 C GLY A 76 29.214 22.427 40.600 1.00 0.00 C ATOM 1231 O GLY A 76 28.611 22.178 41.630 1.00 0.00 O ATOM 1232 OXT GLY A 76 30.141 23.217 40.526 1.00 0.00 O ATOM 0 H GLY A 76 29.636 22.285 37.495 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.747 21.384 39.420 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.386 20.811 39.188 1.00 0.00 H new TER 1236 GLY A 76