USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=17 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 63 LYS NZ :NH3+ -127:sc= -0.314 (180deg=-0.9) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.382 K(o=-0.7,f=-2) USER MOD Set 2.1: A 55 THR OG1 : rot -175:sc= -2.65! USER MOD Set 2.2: A 57 SER OG : rot 180:sc= -0.225 USER MOD Set 3.1: A 25 ASN : amide:sc= -3.03! C(o=-3!,f=-6.2!) USER MOD Set 3.2: A 29 LYS NZ :NH3+ 142:sc= 0.0221 (180deg=0) USER MOD Set 4.1: A 7 THR OG1 : rot 122:sc= -0.118 USER MOD Set 4.2: A 9 THR OG1 : rot -144:sc= 0.196 USER MOD Set 4.3: A 11 LYS NZ :NH3+ -114:sc= -0.0291 (180deg=-0.454) USER MOD Set 5.1: A 2 GLN : amide:sc= -2.82! C(o=-8.2!,f=-7.2!) USER MOD Set 5.2: A 14 THR OG1 : rot -120:sc= -5.34! USER MOD Single : A 1 MET CE :methyl 157:sc= -0.0699 (180deg=-0.776) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.923 (180deg=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ 135:sc= -0.0577 (180deg=-0.544) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.739 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.855 K(o=-0.86,f=-2.3!) USER MOD Single : A 33 LYS NZ :NH3+ -129:sc= -0.0473 (180deg=-0.439) USER MOD Single : A 40 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 41 GLN : amide:sc= -4.81! K(o=-4.8!,f=-3.3) USER MOD Single : A 48 LYS NZ :NH3+ -117:sc= 0.147 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.612 K(o=-0.61,f=-3!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.5!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-8.1e-06) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.936 27.488 2.090 1.00 0.00 N ATOM 2 CA MET A 1 26.732 28.166 2.645 1.00 0.00 C ATOM 3 C MET A 1 27.168 29.271 3.608 1.00 0.00 C ATOM 4 O MET A 1 28.186 29.169 4.265 1.00 0.00 O ATOM 5 CB MET A 1 25.872 27.147 3.395 1.00 0.00 C ATOM 6 CG MET A 1 25.234 26.182 2.392 1.00 0.00 C ATOM 7 SD MET A 1 24.416 24.835 3.284 1.00 0.00 S ATOM 8 CE MET A 1 23.092 25.818 4.034 1.00 0.00 C ATOM 0 H1 MET A 1 27.685 27.005 1.204 1.00 0.00 H new ATOM 0 H2 MET A 1 28.676 28.194 1.902 1.00 0.00 H new ATOM 0 H3 MET A 1 28.289 26.791 2.776 1.00 0.00 H new ATOM 0 HA MET A 1 26.153 28.601 1.830 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.483 26.595 4.109 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.098 27.659 3.967 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.512 26.712 1.771 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.995 25.780 1.724 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.253 25.168 4.284 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.463 26.296 4.941 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.762 26.582 3.330 1.00 0.00 H new ATOM 20 N GLN A 2 26.408 30.328 3.698 1.00 0.00 N ATOM 21 CA GLN A 2 26.782 31.440 4.618 1.00 0.00 C ATOM 22 C GLN A 2 26.339 31.096 6.040 1.00 0.00 C ATOM 23 O GLN A 2 25.211 31.334 6.424 1.00 0.00 O ATOM 24 CB GLN A 2 26.088 32.728 4.167 1.00 0.00 C ATOM 25 CG GLN A 2 26.588 33.899 5.014 1.00 0.00 C ATOM 26 CD GLN A 2 25.958 35.199 4.510 1.00 0.00 C ATOM 27 OE1 GLN A 2 25.901 35.439 3.321 1.00 0.00 O ATOM 28 NE2 GLN A 2 25.477 36.054 5.371 1.00 0.00 N ATOM 0 H GLN A 2 25.544 30.470 3.174 1.00 0.00 H new ATOM 0 HA GLN A 2 27.863 31.581 4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.293 32.914 3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 2 25.008 32.627 4.269 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.331 33.740 6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.675 33.964 4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.524 35.853 6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.054 36.923 5.045 1.00 0.00 H new ATOM 37 N ILE A 3 27.216 30.533 6.827 1.00 0.00 N ATOM 38 CA ILE A 3 26.836 30.175 8.223 1.00 0.00 C ATOM 39 C ILE A 3 26.773 31.445 9.073 1.00 0.00 C ATOM 40 O ILE A 3 27.615 32.315 8.967 1.00 0.00 O ATOM 41 CB ILE A 3 27.874 29.212 8.806 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.260 29.862 8.764 1.00 0.00 C ATOM 43 CG2 ILE A 3 27.894 27.923 7.980 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.310 28.855 9.243 1.00 0.00 C ATOM 0 H ILE A 3 28.175 30.306 6.565 1.00 0.00 H new ATOM 0 HA ILE A 3 25.859 29.691 8.223 1.00 0.00 H new ATOM 0 HB ILE A 3 27.612 28.982 9.839 1.00 0.00 H new ATOM 0 HG12 ILE A 3 29.490 30.189 7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.277 30.750 9.396 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.633 27.237 8.394 1.00 0.00 H new ATOM 0 HG22 ILE A 3 26.909 27.457 8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.154 28.156 6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.297 29.317 9.213 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.082 28.550 10.264 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.299 27.981 8.592 1.00 0.00 H new ATOM 56 N PHE A 4 25.773 31.568 9.909 1.00 0.00 N ATOM 57 CA PHE A 4 25.648 32.789 10.760 1.00 0.00 C ATOM 58 C PHE A 4 26.244 32.519 12.143 1.00 0.00 C ATOM 59 O PHE A 4 26.419 31.388 12.547 1.00 0.00 O ATOM 60 CB PHE A 4 24.168 33.150 10.911 1.00 0.00 C ATOM 61 CG PHE A 4 23.602 33.528 9.563 1.00 0.00 C ATOM 62 CD1 PHE A 4 22.986 32.557 8.765 1.00 0.00 C ATOM 63 CD2 PHE A 4 23.693 34.850 9.112 1.00 0.00 C ATOM 64 CE1 PHE A 4 22.460 32.908 7.516 1.00 0.00 C ATOM 65 CE2 PHE A 4 23.167 35.201 7.863 1.00 0.00 C ATOM 66 CZ PHE A 4 22.551 34.231 7.064 1.00 0.00 C ATOM 0 H PHE A 4 25.037 30.874 10.039 1.00 0.00 H new ATOM 0 HA PHE A 4 26.184 33.613 10.290 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.617 32.305 11.325 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.054 33.978 11.610 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.916 31.537 9.113 1.00 0.00 H new ATOM 0 HD2 PHE A 4 24.169 35.599 9.727 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.984 32.159 6.901 1.00 0.00 H new ATOM 0 HE2 PHE A 4 23.237 36.221 7.516 1.00 0.00 H new ATOM 0 HZ PHE A 4 22.146 34.502 6.100 1.00 0.00 H new ATOM 76 N VAL A 5 26.549 33.560 12.873 1.00 0.00 N ATOM 77 CA VAL A 5 27.127 33.393 14.240 1.00 0.00 C ATOM 78 C VAL A 5 26.507 34.439 15.168 1.00 0.00 C ATOM 79 O VAL A 5 26.263 35.560 14.767 1.00 0.00 O ATOM 80 CB VAL A 5 28.642 33.595 14.183 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.232 33.438 15.585 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.262 32.553 13.250 1.00 0.00 C ATOM 0 H VAL A 5 26.421 34.528 12.578 1.00 0.00 H new ATOM 0 HA VAL A 5 26.913 32.392 14.613 1.00 0.00 H new ATOM 0 HB VAL A 5 28.860 34.595 13.807 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.312 33.582 15.544 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.792 34.181 16.250 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.013 32.439 15.962 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.342 32.697 13.210 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.043 31.553 13.625 1.00 0.00 H new ATOM 0 HG23 VAL A 5 28.843 32.665 12.250 1.00 0.00 H new ATOM 92 N LYS A 6 26.251 34.086 16.404 1.00 0.00 N ATOM 93 CA LYS A 6 25.647 35.061 17.369 1.00 0.00 C ATOM 94 C LYS A 6 26.480 35.079 18.652 1.00 0.00 C ATOM 95 O LYS A 6 26.614 34.079 19.330 1.00 0.00 O ATOM 96 CB LYS A 6 24.217 34.625 17.700 1.00 0.00 C ATOM 97 CG LYS A 6 23.566 35.660 18.619 1.00 0.00 C ATOM 98 CD LYS A 6 22.115 35.259 18.894 1.00 0.00 C ATOM 99 CE LYS A 6 21.476 36.272 19.845 1.00 0.00 C ATOM 100 NZ LYS A 6 21.451 37.614 19.197 1.00 0.00 N ATOM 0 H LYS A 6 26.435 33.160 16.789 1.00 0.00 H new ATOM 0 HA LYS A 6 25.632 36.057 16.926 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.636 34.521 16.784 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.226 33.648 18.184 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.119 35.729 19.556 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.600 36.646 18.155 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.555 35.218 17.960 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.079 34.261 19.331 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.463 35.960 20.099 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.039 36.317 20.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.519 38.052 19.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.186 38.217 19.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.631 37.511 18.178 1.00 0.00 H new ATOM 114 N THR A 7 27.042 36.209 18.991 1.00 0.00 N ATOM 115 CA THR A 7 27.867 36.294 20.233 1.00 0.00 C ATOM 116 C THR A 7 26.971 36.685 21.410 1.00 0.00 C ATOM 117 O THR A 7 25.816 37.021 21.239 1.00 0.00 O ATOM 118 CB THR A 7 28.954 37.355 20.051 1.00 0.00 C ATOM 119 OG1 THR A 7 28.352 38.641 20.009 1.00 0.00 O ATOM 120 CG2 THR A 7 29.709 37.099 18.746 1.00 0.00 C ATOM 0 H THR A 7 26.966 37.078 18.462 1.00 0.00 H new ATOM 0 HA THR A 7 28.330 35.327 20.430 1.00 0.00 H new ATOM 0 HB THR A 7 29.654 37.307 20.885 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.727 39.201 20.720 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.483 37.856 18.619 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.170 36.112 18.780 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.014 37.146 17.908 1.00 0.00 H new ATOM 128 N LEU A 8 27.495 36.644 22.603 1.00 0.00 N ATOM 129 CA LEU A 8 26.675 37.013 23.791 1.00 0.00 C ATOM 130 C LEU A 8 26.284 38.492 23.698 1.00 0.00 C ATOM 131 O LEU A 8 25.219 38.890 24.127 1.00 0.00 O ATOM 132 CB LEU A 8 27.494 36.770 25.064 1.00 0.00 C ATOM 133 CG LEU A 8 26.678 37.142 26.312 1.00 0.00 C ATOM 134 CD1 LEU A 8 25.395 36.294 26.383 1.00 0.00 C ATOM 135 CD2 LEU A 8 27.533 36.886 27.558 1.00 0.00 C ATOM 0 H LEU A 8 28.456 36.371 22.807 1.00 0.00 H new ATOM 0 HA LEU A 8 25.771 36.404 23.821 1.00 0.00 H new ATOM 0 HB2 LEU A 8 27.792 35.723 25.117 1.00 0.00 H new ATOM 0 HB3 LEU A 8 28.409 37.361 25.032 1.00 0.00 H new ATOM 0 HG LEU A 8 26.398 38.194 26.260 1.00 0.00 H new ATOM 0 HD11 LEU A 8 24.827 36.568 27.272 1.00 0.00 H new ATOM 0 HD12 LEU A 8 24.790 36.475 25.495 1.00 0.00 H new ATOM 0 HD13 LEU A 8 25.659 35.238 26.433 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.963 37.147 28.450 1.00 0.00 H new ATOM 0 HD22 LEU A 8 27.810 35.833 27.599 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.435 37.496 27.512 1.00 0.00 H new ATOM 147 N THR A 9 27.139 39.309 23.144 1.00 0.00 N ATOM 148 CA THR A 9 26.817 40.761 23.028 1.00 0.00 C ATOM 149 C THR A 9 25.864 40.988 21.851 1.00 0.00 C ATOM 150 O THR A 9 25.390 42.084 21.629 1.00 0.00 O ATOM 151 CB THR A 9 28.109 41.550 22.798 1.00 0.00 C ATOM 152 OG1 THR A 9 28.747 41.078 21.620 1.00 0.00 O ATOM 153 CG2 THR A 9 29.041 41.365 23.996 1.00 0.00 C ATOM 0 H THR A 9 28.046 39.034 22.767 1.00 0.00 H new ATOM 0 HA THR A 9 26.339 41.100 23.947 1.00 0.00 H new ATOM 0 HB THR A 9 27.874 42.608 22.684 1.00 0.00 H new ATOM 0 HG1 THR A 9 29.719 41.103 21.742 1.00 0.00 H new ATOM 0 HG21 THR A 9 29.961 41.927 23.832 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.550 41.729 24.899 1.00 0.00 H new ATOM 0 HG23 THR A 9 29.278 40.307 24.113 1.00 0.00 H new ATOM 161 N GLY A 10 25.577 39.961 21.097 1.00 0.00 N ATOM 162 CA GLY A 10 24.649 40.114 19.933 1.00 0.00 C ATOM 163 C GLY A 10 25.456 40.391 18.663 1.00 0.00 C ATOM 164 O GLY A 10 24.948 40.295 17.562 1.00 0.00 O ATOM 0 H GLY A 10 25.945 39.020 21.235 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.055 39.209 19.808 1.00 0.00 H new ATOM 0 HA3 GLY A 10 23.951 40.931 20.117 1.00 0.00 H new ATOM 168 N LYS A 11 26.708 40.733 18.802 1.00 0.00 N ATOM 169 CA LYS A 11 27.540 41.012 17.594 1.00 0.00 C ATOM 170 C LYS A 11 27.353 39.873 16.586 1.00 0.00 C ATOM 171 O LYS A 11 27.744 38.748 16.827 1.00 0.00 O ATOM 172 CB LYS A 11 29.015 41.113 17.991 1.00 0.00 C ATOM 173 CG LYS A 11 29.240 42.402 18.784 1.00 0.00 C ATOM 174 CD LYS A 11 30.712 42.495 19.199 1.00 0.00 C ATOM 175 CE LYS A 11 30.956 43.825 19.914 1.00 0.00 C ATOM 176 NZ LYS A 11 30.133 43.880 21.156 1.00 0.00 N ATOM 0 H LYS A 11 27.190 40.831 19.695 1.00 0.00 H new ATOM 0 HA LYS A 11 27.230 41.956 17.146 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.302 40.249 18.591 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.644 41.106 17.101 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.966 43.266 18.179 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.601 42.415 19.667 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.969 41.664 19.856 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.354 42.418 18.322 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.013 43.929 20.160 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.698 44.656 19.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 29.415 44.627 21.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 29.663 42.964 21.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.746 44.088 21.970 1.00 0.00 H new ATOM 190 N THR A 12 26.743 40.154 15.465 1.00 0.00 N ATOM 191 CA THR A 12 26.511 39.089 14.443 1.00 0.00 C ATOM 192 C THR A 12 27.661 39.067 13.438 1.00 0.00 C ATOM 193 O THR A 12 28.224 40.087 13.094 1.00 0.00 O ATOM 194 CB THR A 12 25.201 39.373 13.704 1.00 0.00 C ATOM 195 OG1 THR A 12 24.124 39.365 14.630 1.00 0.00 O ATOM 196 CG2 THR A 12 24.970 38.299 12.638 1.00 0.00 C ATOM 0 H THR A 12 26.394 41.078 15.212 1.00 0.00 H new ATOM 0 HA THR A 12 26.454 38.122 14.943 1.00 0.00 H new ATOM 0 HB THR A 12 25.259 40.350 13.224 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.285 39.548 14.158 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.037 38.503 12.113 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.796 38.308 11.927 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.912 37.320 13.114 1.00 0.00 H new ATOM 204 N ILE A 13 28.007 37.901 12.954 1.00 0.00 N ATOM 205 CA ILE A 13 29.111 37.783 11.955 1.00 0.00 C ATOM 206 C ILE A 13 28.729 36.707 10.937 1.00 0.00 C ATOM 207 O ILE A 13 28.208 35.670 11.294 1.00 0.00 O ATOM 208 CB ILE A 13 30.408 37.377 12.663 1.00 0.00 C ATOM 209 CG1 ILE A 13 30.670 38.322 13.838 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.576 37.457 11.677 1.00 0.00 C ATOM 211 CD1 ILE A 13 31.987 37.942 14.517 1.00 0.00 C ATOM 0 H ILE A 13 27.567 37.017 13.211 1.00 0.00 H new ATOM 0 HA ILE A 13 29.264 38.739 11.455 1.00 0.00 H new ATOM 0 HB ILE A 13 30.312 36.356 13.033 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.715 39.353 13.486 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.850 38.265 14.554 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.498 37.168 12.181 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.393 36.782 10.841 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.670 38.478 11.306 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.173 38.616 15.354 1.00 0.00 H new ATOM 0 HD12 ILE A 13 31.925 36.917 14.883 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.803 38.022 13.799 1.00 0.00 H new ATOM 223 N THR A 14 28.981 36.943 9.671 1.00 0.00 N ATOM 224 CA THR A 14 28.631 35.937 8.616 1.00 0.00 C ATOM 225 C THR A 14 29.912 35.466 7.923 1.00 0.00 C ATOM 226 O THR A 14 30.714 36.265 7.484 1.00 0.00 O ATOM 227 CB THR A 14 27.705 36.586 7.584 1.00 0.00 C ATOM 228 OG1 THR A 14 27.741 35.833 6.380 1.00 0.00 O ATOM 229 CG2 THR A 14 28.167 38.018 7.307 1.00 0.00 C ATOM 0 H THR A 14 29.417 37.796 9.320 1.00 0.00 H new ATOM 0 HA THR A 14 28.128 35.085 9.074 1.00 0.00 H new ATOM 0 HB THR A 14 26.686 36.606 7.971 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.055 36.403 5.647 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.506 38.478 6.572 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.139 38.595 8.231 1.00 0.00 H new ATOM 0 HG23 THR A 14 29.186 38.003 6.920 1.00 0.00 H new ATOM 237 N LEU A 15 30.098 34.173 7.815 1.00 0.00 N ATOM 238 CA LEU A 15 31.320 33.623 7.145 1.00 0.00 C ATOM 239 C LEU A 15 30.894 32.775 5.945 1.00 0.00 C ATOM 240 O LEU A 15 30.239 31.760 6.087 1.00 0.00 O ATOM 241 CB LEU A 15 32.092 32.744 8.134 1.00 0.00 C ATOM 242 CG LEU A 15 32.406 33.537 9.409 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.201 32.652 10.376 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.228 34.790 9.059 1.00 0.00 C ATOM 0 H LEU A 15 29.450 33.468 8.166 1.00 0.00 H new ATOM 0 HA LEU A 15 31.956 34.443 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.505 31.860 8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 15 33.018 32.394 7.676 1.00 0.00 H new ATOM 0 HG LEU A 15 31.473 33.845 9.880 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.425 33.214 11.283 1.00 0.00 H new ATOM 0 HD12 LEU A 15 32.612 31.771 10.631 1.00 0.00 H new ATOM 0 HD13 LEU A 15 34.132 32.341 9.903 1.00 0.00 H new ATOM 0 HD21 LEU A 15 33.447 35.348 9.970 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.162 34.491 8.583 1.00 0.00 H new ATOM 0 HD23 LEU A 15 32.658 35.420 8.376 1.00 0.00 H new ATOM 256 N GLU A 16 31.256 33.188 4.755 1.00 0.00 N ATOM 257 CA GLU A 16 30.873 32.416 3.533 1.00 0.00 C ATOM 258 C GLU A 16 32.033 31.510 3.115 1.00 0.00 C ATOM 259 O GLU A 16 33.084 31.973 2.719 1.00 0.00 O ATOM 260 CB GLU A 16 30.556 33.391 2.398 1.00 0.00 C ATOM 261 CG GLU A 16 30.081 32.611 1.170 1.00 0.00 C ATOM 262 CD GLU A 16 29.684 33.592 0.066 1.00 0.00 C ATOM 263 OE1 GLU A 16 29.791 34.785 0.293 1.00 0.00 O ATOM 264 OE2 GLU A 16 29.278 33.134 -0.989 1.00 0.00 O ATOM 0 H GLU A 16 31.803 34.031 4.577 1.00 0.00 H new ATOM 0 HA GLU A 16 29.996 31.806 3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.787 34.095 2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 16 31.441 33.976 2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.873 31.950 0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.232 31.980 1.433 1.00 0.00 H new ATOM 271 N VAL A 17 31.845 30.222 3.190 1.00 0.00 N ATOM 272 CA VAL A 17 32.928 29.283 2.786 1.00 0.00 C ATOM 273 C VAL A 17 32.326 27.903 2.513 1.00 0.00 C ATOM 274 O VAL A 17 31.306 27.540 3.064 1.00 0.00 O ATOM 275 CB VAL A 17 33.967 29.185 3.906 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.272 28.851 5.227 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.984 28.090 3.569 1.00 0.00 C ATOM 0 H VAL A 17 30.986 29.778 3.514 1.00 0.00 H new ATOM 0 HA VAL A 17 33.413 29.651 1.882 1.00 0.00 H new ATOM 0 HB VAL A 17 34.483 30.140 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 17 34.015 28.782 6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.554 29.635 5.469 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.751 27.898 5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 17 35.723 28.022 4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.470 27.134 3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.484 28.334 2.632 1.00 0.00 H new ATOM 287 N GLU A 18 32.947 27.135 1.660 1.00 0.00 N ATOM 288 CA GLU A 18 32.411 25.778 1.340 1.00 0.00 C ATOM 289 C GLU A 18 32.009 25.058 2.644 1.00 0.00 C ATOM 290 O GLU A 18 32.815 24.934 3.546 1.00 0.00 O ATOM 291 CB GLU A 18 33.502 24.966 0.639 1.00 0.00 C ATOM 292 CG GLU A 18 33.852 25.627 -0.695 1.00 0.00 C ATOM 293 CD GLU A 18 34.978 24.843 -1.374 1.00 0.00 C ATOM 294 OE1 GLU A 18 35.413 23.856 -0.804 1.00 0.00 O ATOM 295 OE2 GLU A 18 35.387 25.245 -2.452 1.00 0.00 O ATOM 0 H GLU A 18 33.805 27.388 1.169 1.00 0.00 H new ATOM 0 HA GLU A 18 31.539 25.874 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.388 24.906 1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.160 23.945 0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.974 25.655 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.161 26.659 -0.531 1.00 0.00 H new ATOM 302 N PRO A 19 30.784 24.578 2.763 1.00 0.00 N ATOM 303 CA PRO A 19 30.329 23.868 3.995 1.00 0.00 C ATOM 304 C PRO A 19 31.396 22.913 4.547 1.00 0.00 C ATOM 305 O PRO A 19 31.397 22.580 5.716 1.00 0.00 O ATOM 306 CB PRO A 19 29.101 23.088 3.517 1.00 0.00 C ATOM 307 CG PRO A 19 28.517 23.931 2.429 1.00 0.00 C ATOM 308 CD PRO A 19 29.698 24.654 1.762 1.00 0.00 C ATOM 0 HA PRO A 19 30.121 24.558 4.813 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.378 22.101 3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.388 22.937 4.327 1.00 0.00 H new ATOM 0 HG2 PRO A 19 27.980 23.316 1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 19 27.801 24.647 2.833 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.984 24.171 0.827 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.448 25.688 1.523 1.00 0.00 H new ATOM 316 N SER A 20 32.299 22.470 3.717 1.00 0.00 N ATOM 317 CA SER A 20 33.356 21.538 4.198 1.00 0.00 C ATOM 318 C SER A 20 34.402 22.316 4.997 1.00 0.00 C ATOM 319 O SER A 20 35.447 21.800 5.338 1.00 0.00 O ATOM 320 CB SER A 20 34.023 20.861 3.003 1.00 0.00 C ATOM 321 OG SER A 20 34.330 21.840 2.018 1.00 0.00 O ATOM 0 H SER A 20 32.351 22.713 2.728 1.00 0.00 H new ATOM 0 HA SER A 20 32.905 20.779 4.838 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.932 20.351 3.321 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.361 20.103 2.584 1.00 0.00 H new ATOM 0 HG SER A 20 34.760 21.408 1.250 1.00 0.00 H new ATOM 327 N ASP A 21 34.125 23.553 5.308 1.00 0.00 N ATOM 328 CA ASP A 21 35.106 24.351 6.093 1.00 0.00 C ATOM 329 C ASP A 21 35.479 23.564 7.350 1.00 0.00 C ATOM 330 O ASP A 21 34.792 22.636 7.731 1.00 0.00 O ATOM 331 CB ASP A 21 34.480 25.696 6.492 1.00 0.00 C ATOM 332 CG ASP A 21 35.585 26.705 6.820 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.567 26.733 6.097 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.429 27.431 7.787 1.00 0.00 O ATOM 0 H ASP A 21 33.267 24.042 5.054 1.00 0.00 H new ATOM 0 HA ASP A 21 35.996 24.541 5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 21 33.859 26.074 5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 21 33.829 25.563 7.356 1.00 0.00 H new ATOM 339 N THR A 22 36.550 23.921 8.006 1.00 0.00 N ATOM 340 CA THR A 22 36.955 23.191 9.244 1.00 0.00 C ATOM 341 C THR A 22 36.454 23.962 10.463 1.00 0.00 C ATOM 342 O THR A 22 36.065 25.111 10.364 1.00 0.00 O ATOM 343 CB THR A 22 38.481 23.086 9.301 1.00 0.00 C ATOM 344 OG1 THR A 22 39.045 24.386 9.238 1.00 0.00 O ATOM 345 CG2 THR A 22 38.980 22.249 8.122 1.00 0.00 C ATOM 0 H THR A 22 37.165 24.689 7.738 1.00 0.00 H new ATOM 0 HA THR A 22 36.525 22.190 9.237 1.00 0.00 H new ATOM 0 HB THR A 22 38.780 22.607 10.233 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.015 24.316 9.115 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.067 22.174 8.163 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.546 21.251 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.684 22.725 7.187 1.00 0.00 H new ATOM 353 N ILE A 23 36.484 23.359 11.618 1.00 0.00 N ATOM 354 CA ILE A 23 36.030 24.087 12.834 1.00 0.00 C ATOM 355 C ILE A 23 37.151 25.027 13.276 1.00 0.00 C ATOM 356 O ILE A 23 36.923 26.165 13.633 1.00 0.00 O ATOM 357 CB ILE A 23 35.729 23.086 13.951 1.00 0.00 C ATOM 358 CG1 ILE A 23 34.840 21.957 13.411 1.00 0.00 C ATOM 359 CG2 ILE A 23 35.012 23.799 15.098 1.00 0.00 C ATOM 360 CD1 ILE A 23 33.615 22.541 12.699 1.00 0.00 C ATOM 0 H ILE A 23 36.800 22.402 11.772 1.00 0.00 H new ATOM 0 HA ILE A 23 35.125 24.655 12.617 1.00 0.00 H new ATOM 0 HB ILE A 23 36.665 22.663 14.316 1.00 0.00 H new ATOM 0 HG12 ILE A 23 35.409 21.335 12.720 1.00 0.00 H new ATOM 0 HG13 ILE A 23 34.521 21.313 14.230 1.00 0.00 H new ATOM 0 HG21 ILE A 23 34.798 23.085 15.893 1.00 0.00 H new ATOM 0 HG22 ILE A 23 35.648 24.595 15.486 1.00 0.00 H new ATOM 0 HG23 ILE A 23 34.078 24.227 14.733 1.00 0.00 H new ATOM 0 HD11 ILE A 23 32.993 21.730 12.321 1.00 0.00 H new ATOM 0 HD12 ILE A 23 33.039 23.143 13.401 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.941 23.166 11.868 1.00 0.00 H new ATOM 372 N GLU A 24 38.368 24.556 13.237 1.00 0.00 N ATOM 373 CA GLU A 24 39.518 25.410 13.634 1.00 0.00 C ATOM 374 C GLU A 24 39.551 26.648 12.738 1.00 0.00 C ATOM 375 O GLU A 24 40.001 27.703 13.138 1.00 0.00 O ATOM 376 CB GLU A 24 40.819 24.622 13.468 1.00 0.00 C ATOM 377 CG GLU A 24 40.769 23.819 12.166 1.00 0.00 C ATOM 378 CD GLU A 24 42.164 23.280 11.844 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.128 23.944 12.187 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.244 22.211 11.261 1.00 0.00 O ATOM 0 H GLU A 24 38.614 23.610 12.945 1.00 0.00 H new ATOM 0 HA GLU A 24 39.412 25.713 14.676 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.670 25.303 13.455 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.961 23.952 14.316 1.00 0.00 H new ATOM 0 HG2 GLU A 24 40.062 22.995 12.262 1.00 0.00 H new ATOM 0 HG3 GLU A 24 40.414 24.450 11.351 1.00 0.00 H new ATOM 387 N ASN A 25 39.064 26.533 11.533 1.00 0.00 N ATOM 388 CA ASN A 25 39.054 27.712 10.625 1.00 0.00 C ATOM 389 C ASN A 25 38.087 28.739 11.199 1.00 0.00 C ATOM 390 O ASN A 25 38.403 29.906 11.321 1.00 0.00 O ATOM 391 CB ASN A 25 38.595 27.285 9.227 1.00 0.00 C ATOM 392 CG ASN A 25 38.368 28.523 8.356 1.00 0.00 C ATOM 393 OD1 ASN A 25 37.243 28.927 8.139 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.395 29.146 7.847 1.00 0.00 N ATOM 0 H ASN A 25 38.674 25.676 11.140 1.00 0.00 H new ATOM 0 HA ASN A 25 40.054 28.139 10.545 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.345 26.639 8.769 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.675 26.705 9.298 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.254 29.973 7.267 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.339 28.806 8.030 1.00 0.00 H new ATOM 401 N VAL A 26 36.915 28.310 11.578 1.00 0.00 N ATOM 402 CA VAL A 26 35.946 29.267 12.170 1.00 0.00 C ATOM 403 C VAL A 26 36.618 29.937 13.365 1.00 0.00 C ATOM 404 O VAL A 26 36.853 31.128 13.373 1.00 0.00 O ATOM 405 CB VAL A 26 34.705 28.509 12.643 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.659 29.506 13.136 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.132 27.695 11.483 1.00 0.00 C ATOM 0 H VAL A 26 36.590 27.346 11.503 1.00 0.00 H new ATOM 0 HA VAL A 26 35.647 30.012 11.433 1.00 0.00 H new ATOM 0 HB VAL A 26 34.976 27.836 13.457 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.774 28.967 13.474 1.00 0.00 H new ATOM 0 HG12 VAL A 26 34.069 30.084 13.964 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.386 30.179 12.323 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.247 27.155 11.820 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.859 28.365 10.668 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.880 26.984 11.133 1.00 0.00 H new ATOM 417 N LYS A 27 36.945 29.163 14.368 1.00 0.00 N ATOM 418 CA LYS A 27 37.621 29.719 15.575 1.00 0.00 C ATOM 419 C LYS A 27 38.699 30.727 15.153 1.00 0.00 C ATOM 420 O LYS A 27 38.968 31.686 15.845 1.00 0.00 O ATOM 421 CB LYS A 27 38.273 28.569 16.344 1.00 0.00 C ATOM 422 CG LYS A 27 37.186 27.649 16.900 1.00 0.00 C ATOM 423 CD LYS A 27 37.829 26.581 17.789 1.00 0.00 C ATOM 424 CE LYS A 27 36.740 25.691 18.389 1.00 0.00 C ATOM 425 NZ LYS A 27 37.367 24.658 19.260 1.00 0.00 N ATOM 0 H LYS A 27 36.770 28.159 14.401 1.00 0.00 H new ATOM 0 HA LYS A 27 36.890 30.226 16.205 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.938 28.009 15.687 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.884 28.961 17.157 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.463 28.228 17.474 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.640 27.177 16.083 1.00 0.00 H new ATOM 0 HD2 LYS A 27 38.525 25.978 17.206 1.00 0.00 H new ATOM 0 HD3 LYS A 27 38.406 27.054 18.584 1.00 0.00 H new ATOM 0 HE2 LYS A 27 36.040 26.294 18.968 1.00 0.00 H new ATOM 0 HE3 LYS A 27 36.167 25.213 17.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 36.627 24.052 19.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 38.018 24.076 18.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 37.895 25.123 20.026 1.00 0.00 H new ATOM 439 N ALA A 28 39.317 30.507 14.025 1.00 0.00 N ATOM 440 CA ALA A 28 40.378 31.449 13.564 1.00 0.00 C ATOM 441 C ALA A 28 39.746 32.794 13.183 1.00 0.00 C ATOM 442 O ALA A 28 40.091 33.827 13.725 1.00 0.00 O ATOM 443 CB ALA A 28 41.089 30.851 12.346 1.00 0.00 C ATOM 0 H ALA A 28 39.135 29.719 13.404 1.00 0.00 H new ATOM 0 HA ALA A 28 41.098 31.608 14.367 1.00 0.00 H new ATOM 0 HB1 ALA A 28 41.865 31.536 12.005 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.541 29.898 12.620 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.367 30.693 11.545 1.00 0.00 H new ATOM 449 N LYS A 29 38.827 32.792 12.257 1.00 0.00 N ATOM 450 CA LYS A 29 38.178 34.070 11.844 1.00 0.00 C ATOM 451 C LYS A 29 37.662 34.800 13.086 1.00 0.00 C ATOM 452 O LYS A 29 37.624 36.013 13.141 1.00 0.00 O ATOM 453 CB LYS A 29 37.019 33.758 10.899 1.00 0.00 C ATOM 454 CG LYS A 29 37.584 33.319 9.538 1.00 0.00 C ATOM 455 CD LYS A 29 36.551 32.475 8.793 1.00 0.00 C ATOM 456 CE LYS A 29 37.171 31.938 7.503 1.00 0.00 C ATOM 457 NZ LYS A 29 36.099 31.385 6.629 1.00 0.00 N ATOM 0 H LYS A 29 38.497 31.960 11.768 1.00 0.00 H new ATOM 0 HA LYS A 29 38.899 34.707 11.331 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.394 32.970 11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.386 34.637 10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.847 34.194 8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.499 32.745 9.683 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.218 31.649 9.421 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.671 33.076 8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 29 37.703 32.735 6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.903 31.164 7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 36.310 31.611 5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.053 30.353 6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 35.185 31.805 6.893 1.00 0.00 H new ATOM 471 N ILE A 30 37.292 34.063 14.091 1.00 0.00 N ATOM 472 CA ILE A 30 36.805 34.701 15.343 1.00 0.00 C ATOM 473 C ILE A 30 38.029 35.211 16.118 1.00 0.00 C ATOM 474 O ILE A 30 38.195 36.394 16.317 1.00 0.00 O ATOM 475 CB ILE A 30 36.014 33.664 16.167 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.556 33.611 15.676 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.019 34.050 17.653 1.00 0.00 C ATOM 478 CD1 ILE A 30 34.511 33.466 14.152 1.00 0.00 C ATOM 0 H ILE A 30 37.305 33.043 14.101 1.00 0.00 H new ATOM 0 HA ILE A 30 36.140 35.537 15.129 1.00 0.00 H new ATOM 0 HB ILE A 30 36.486 32.690 16.041 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.039 32.773 16.143 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.031 34.517 15.977 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.457 33.310 18.223 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.046 34.085 18.016 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.557 35.030 17.776 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.473 33.430 13.820 1.00 0.00 H new ATOM 0 HD12 ILE A 30 35.010 34.318 13.691 1.00 0.00 H new ATOM 0 HD13 ILE A 30 35.018 32.547 13.859 1.00 0.00 H new ATOM 490 N GLN A 31 38.873 34.316 16.556 1.00 0.00 N ATOM 491 CA GLN A 31 40.090 34.707 17.323 1.00 0.00 C ATOM 492 C GLN A 31 40.700 35.993 16.746 1.00 0.00 C ATOM 493 O GLN A 31 41.036 36.907 17.468 1.00 0.00 O ATOM 494 CB GLN A 31 41.108 33.569 17.221 1.00 0.00 C ATOM 495 CG GLN A 31 42.349 33.904 18.048 1.00 0.00 C ATOM 496 CD GLN A 31 43.390 32.794 17.886 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.159 31.826 17.191 1.00 0.00 O ATOM 498 NE2 GLN A 31 44.534 32.895 18.505 1.00 0.00 N ATOM 0 H GLN A 31 38.768 33.312 16.411 1.00 0.00 H new ATOM 0 HA GLN A 31 39.822 34.890 18.364 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.664 32.639 17.577 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.387 33.411 16.179 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.767 34.858 17.725 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.080 34.013 19.099 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.728 33.709 19.089 1.00 0.00 H new ATOM 0 HE22 GLN A 31 45.235 32.160 18.405 1.00 0.00 H new ATOM 507 N ASP A 32 40.856 36.060 15.457 1.00 0.00 N ATOM 508 CA ASP A 32 41.463 37.281 14.842 1.00 0.00 C ATOM 509 C ASP A 32 40.477 38.458 14.885 1.00 0.00 C ATOM 510 O ASP A 32 40.802 39.536 15.343 1.00 0.00 O ATOM 511 CB ASP A 32 41.830 36.983 13.388 1.00 0.00 C ATOM 512 CG ASP A 32 43.019 36.023 13.347 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.627 35.818 14.385 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.302 35.507 12.279 1.00 0.00 O ATOM 0 H ASP A 32 40.592 35.327 14.799 1.00 0.00 H new ATOM 0 HA ASP A 32 42.355 37.551 15.407 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.977 36.545 12.869 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.078 37.908 12.868 1.00 0.00 H new ATOM 519 N LYS A 33 39.290 38.268 14.384 1.00 0.00 N ATOM 520 CA LYS A 33 38.293 39.378 14.359 1.00 0.00 C ATOM 521 C LYS A 33 37.958 39.873 15.774 1.00 0.00 C ATOM 522 O LYS A 33 37.797 41.056 15.996 1.00 0.00 O ATOM 523 CB LYS A 33 37.022 38.885 13.682 1.00 0.00 C ATOM 524 CG LYS A 33 37.293 38.674 12.192 1.00 0.00 C ATOM 525 CD LYS A 33 36.069 38.034 11.537 1.00 0.00 C ATOM 526 CE LYS A 33 36.344 37.814 10.048 1.00 0.00 C ATOM 527 NZ LYS A 33 36.482 39.131 9.367 1.00 0.00 N ATOM 0 H LYS A 33 38.963 37.387 13.988 1.00 0.00 H new ATOM 0 HA LYS A 33 38.724 40.213 13.807 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.691 37.952 14.139 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.219 39.609 13.818 1.00 0.00 H new ATOM 0 HG2 LYS A 33 37.518 39.627 11.714 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.166 38.036 12.057 1.00 0.00 H new ATOM 0 HD2 LYS A 33 35.840 37.084 12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 33 35.197 38.675 11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.254 37.229 9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 33 35.532 37.244 9.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 35.862 39.157 8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 36.211 39.891 10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 37.469 39.266 9.070 1.00 0.00 H new ATOM 541 N GLU A 34 37.823 38.986 16.729 1.00 0.00 N ATOM 542 CA GLU A 34 37.469 39.420 18.117 1.00 0.00 C ATOM 543 C GLU A 34 38.727 39.547 18.980 1.00 0.00 C ATOM 544 O GLU A 34 38.781 40.351 19.889 1.00 0.00 O ATOM 545 CB GLU A 34 36.527 38.386 18.741 1.00 0.00 C ATOM 546 CG GLU A 34 35.388 38.083 17.765 1.00 0.00 C ATOM 547 CD GLU A 34 34.355 37.180 18.446 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.328 37.160 19.665 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.610 36.525 17.736 1.00 0.00 O ATOM 0 H GLU A 34 37.943 37.980 16.608 1.00 0.00 H new ATOM 0 HA GLU A 34 36.980 40.393 18.069 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.074 37.473 18.973 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.125 38.764 19.681 1.00 0.00 H new ATOM 0 HG2 GLU A 34 34.917 39.011 17.440 1.00 0.00 H new ATOM 0 HG3 GLU A 34 35.780 37.595 16.873 1.00 0.00 H new ATOM 556 N GLY A 35 39.736 38.759 18.721 1.00 0.00 N ATOM 557 CA GLY A 35 40.976 38.844 19.551 1.00 0.00 C ATOM 558 C GLY A 35 40.796 37.985 20.806 1.00 0.00 C ATOM 559 O GLY A 35 41.446 38.188 21.810 1.00 0.00 O ATOM 0 H GLY A 35 39.757 38.063 17.975 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.837 38.498 18.978 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.173 39.879 19.829 1.00 0.00 H new ATOM 563 N ILE A 36 39.896 37.039 20.752 1.00 0.00 N ATOM 564 CA ILE A 36 39.627 36.160 21.918 1.00 0.00 C ATOM 565 C ILE A 36 40.250 34.771 21.681 1.00 0.00 C ATOM 566 O ILE A 36 39.724 33.987 20.916 1.00 0.00 O ATOM 567 CB ILE A 36 38.119 36.022 22.038 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.509 37.422 22.083 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.775 35.267 23.317 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.005 37.311 22.275 1.00 0.00 C ATOM 0 H ILE A 36 39.327 36.838 19.930 1.00 0.00 H new ATOM 0 HA ILE A 36 40.057 36.583 22.826 1.00 0.00 H new ATOM 0 HB ILE A 36 37.722 35.470 21.186 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.949 37.997 22.898 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.730 37.957 21.160 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.693 35.169 23.402 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.228 34.276 23.288 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.158 35.816 24.178 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.568 38.309 22.307 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.573 36.752 21.445 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.795 36.792 23.210 1.00 0.00 H new ATOM 582 N PRO A 37 41.354 34.450 22.321 1.00 0.00 N ATOM 583 CA PRO A 37 42.016 33.120 22.147 1.00 0.00 C ATOM 584 C PRO A 37 41.014 31.949 22.290 1.00 0.00 C ATOM 585 O PRO A 37 40.242 31.918 23.228 1.00 0.00 O ATOM 586 CB PRO A 37 43.048 33.085 23.284 1.00 0.00 C ATOM 587 CG PRO A 37 43.387 34.518 23.531 1.00 0.00 C ATOM 588 CD PRO A 37 42.100 35.304 23.269 1.00 0.00 C ATOM 0 HA PRO A 37 42.453 33.005 21.155 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.637 32.615 24.178 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.931 32.512 23.000 1.00 0.00 H new ATOM 0 HG2 PRO A 37 43.734 34.667 24.553 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.188 34.849 22.871 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.537 35.468 24.188 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.310 36.285 22.844 1.00 0.00 H new ATOM 596 N PRO A 38 41.019 30.991 21.384 1.00 0.00 N ATOM 597 CA PRO A 38 40.095 29.823 21.446 1.00 0.00 C ATOM 598 C PRO A 38 39.839 29.336 22.879 1.00 0.00 C ATOM 599 O PRO A 38 38.713 29.189 23.310 1.00 0.00 O ATOM 600 CB PRO A 38 40.840 28.772 20.645 1.00 0.00 C ATOM 601 CG PRO A 38 41.485 29.557 19.561 1.00 0.00 C ATOM 602 CD PRO A 38 41.888 30.899 20.195 1.00 0.00 C ATOM 0 HA PRO A 38 39.102 30.061 21.063 1.00 0.00 H new ATOM 0 HB2 PRO A 38 41.577 28.249 21.255 1.00 0.00 H new ATOM 0 HB3 PRO A 38 40.163 28.017 20.246 1.00 0.00 H new ATOM 0 HG2 PRO A 38 42.356 29.035 19.166 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.799 29.709 18.728 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.943 30.914 20.467 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.723 31.732 19.511 1.00 0.00 H new ATOM 610 N ASP A 39 40.888 29.061 23.598 1.00 0.00 N ATOM 611 CA ASP A 39 40.741 28.557 24.994 1.00 0.00 C ATOM 612 C ASP A 39 39.735 29.408 25.776 1.00 0.00 C ATOM 613 O ASP A 39 39.004 28.906 26.607 1.00 0.00 O ATOM 614 CB ASP A 39 42.101 28.608 25.693 1.00 0.00 C ATOM 615 CG ASP A 39 43.014 27.525 25.116 1.00 0.00 C ATOM 616 OD1 ASP A 39 42.510 26.663 24.415 1.00 0.00 O ATOM 617 OD2 ASP A 39 44.203 27.574 25.387 1.00 0.00 O ATOM 0 H ASP A 39 41.851 29.164 23.278 1.00 0.00 H new ATOM 0 HA ASP A 39 40.375 27.531 24.959 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.554 29.590 25.558 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.976 28.459 26.766 1.00 0.00 H new ATOM 622 N GLN A 40 39.704 30.688 25.540 1.00 0.00 N ATOM 623 CA GLN A 40 38.763 31.573 26.289 1.00 0.00 C ATOM 624 C GLN A 40 37.370 31.557 25.645 1.00 0.00 C ATOM 625 O GLN A 40 36.535 32.384 25.950 1.00 0.00 O ATOM 626 CB GLN A 40 39.313 33.001 26.275 1.00 0.00 C ATOM 627 CG GLN A 40 40.486 33.108 27.250 1.00 0.00 C ATOM 628 CD GLN A 40 39.957 33.111 28.686 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.123 32.147 29.407 1.00 0.00 O ATOM 630 NE2 GLN A 40 39.324 34.159 29.134 1.00 0.00 N ATOM 0 H GLN A 40 40.292 31.165 24.857 1.00 0.00 H new ATOM 0 HA GLN A 40 38.673 31.210 27.313 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.638 33.267 25.269 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.530 33.706 26.554 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.171 32.272 27.105 1.00 0.00 H new ATOM 0 HG3 GLN A 40 41.051 34.020 27.057 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.185 34.968 28.529 1.00 0.00 H new ATOM 0 HE22 GLN A 40 38.968 34.170 30.090 1.00 0.00 H new ATOM 639 N GLN A 41 37.108 30.632 24.759 1.00 0.00 N ATOM 640 CA GLN A 41 35.766 30.588 24.112 1.00 0.00 C ATOM 641 C GLN A 41 35.380 29.145 23.777 1.00 0.00 C ATOM 642 O GLN A 41 36.207 28.323 23.440 1.00 0.00 O ATOM 643 CB GLN A 41 35.807 31.412 22.829 1.00 0.00 C ATOM 644 CG GLN A 41 37.052 31.046 22.028 1.00 0.00 C ATOM 645 CD GLN A 41 37.065 31.828 20.714 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.674 31.314 19.684 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.504 33.057 20.704 1.00 0.00 N ATOM 0 H GLN A 41 37.762 29.910 24.458 1.00 0.00 H new ATOM 0 HA GLN A 41 35.025 30.997 24.799 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.912 31.225 22.236 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.815 32.476 23.068 1.00 0.00 H new ATOM 0 HG2 GLN A 41 37.948 31.272 22.606 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.065 29.975 21.826 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.832 33.488 21.568 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.519 33.586 19.832 1.00 0.00 H new ATOM 656 N ARG A 42 34.106 28.854 23.845 1.00 0.00 N ATOM 657 CA ARG A 42 33.603 27.487 23.510 1.00 0.00 C ATOM 658 C ARG A 42 32.393 27.649 22.602 1.00 0.00 C ATOM 659 O ARG A 42 31.524 28.459 22.857 1.00 0.00 O ATOM 660 CB ARG A 42 33.194 26.751 24.794 1.00 0.00 C ATOM 661 CG ARG A 42 34.437 26.450 25.655 1.00 0.00 C ATOM 662 CD ARG A 42 35.077 25.124 25.225 1.00 0.00 C ATOM 663 NE ARG A 42 36.487 25.075 25.707 1.00 0.00 N ATOM 664 CZ ARG A 42 37.301 24.162 25.253 1.00 0.00 C ATOM 665 NH1 ARG A 42 38.536 24.122 25.674 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.881 23.289 24.379 1.00 0.00 N ATOM 0 H ARG A 42 33.382 29.516 24.123 1.00 0.00 H new ATOM 0 HA ARG A 42 34.380 26.906 23.013 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.489 27.359 25.361 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.684 25.821 24.542 1.00 0.00 H new ATOM 0 HG2 ARG A 42 35.160 27.259 25.556 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.155 26.401 26.707 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.512 24.286 25.633 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.049 25.029 24.140 1.00 0.00 H new ATOM 0 HE ARG A 42 36.815 25.756 26.392 1.00 0.00 H new ATOM 0 HH11 ARG A 42 38.864 24.804 26.358 1.00 0.00 H new ATOM 0 HH12 ARG A 42 39.173 23.408 25.319 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.916 23.320 24.050 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.518 22.575 24.024 1.00 0.00 H new ATOM 680 N LEU A 43 32.324 26.912 21.531 1.00 0.00 N ATOM 681 CA LEU A 43 31.166 27.058 20.608 1.00 0.00 C ATOM 682 C LEU A 43 30.041 26.107 21.020 1.00 0.00 C ATOM 683 O LEU A 43 30.278 24.993 21.440 1.00 0.00 O ATOM 684 CB LEU A 43 31.615 26.714 19.187 1.00 0.00 C ATOM 685 CG LEU A 43 32.466 27.852 18.616 1.00 0.00 C ATOM 686 CD1 LEU A 43 33.686 28.104 19.512 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.940 27.454 17.221 1.00 0.00 C ATOM 0 H LEU A 43 33.017 26.216 21.255 1.00 0.00 H new ATOM 0 HA LEU A 43 30.801 28.084 20.651 1.00 0.00 H new ATOM 0 HB2 LEU A 43 32.189 25.787 19.193 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.745 26.546 18.553 1.00 0.00 H new ATOM 0 HG LEU A 43 31.869 28.763 18.570 1.00 0.00 H new ATOM 0 HD11 LEU A 43 34.282 28.915 19.095 1.00 0.00 H new ATOM 0 HD12 LEU A 43 33.352 28.377 20.513 1.00 0.00 H new ATOM 0 HD13 LEU A 43 34.291 27.199 19.565 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.548 28.255 16.801 1.00 0.00 H new ATOM 0 HD22 LEU A 43 33.535 26.543 17.285 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.076 27.279 16.579 1.00 0.00 H new ATOM 699 N ILE A 44 28.814 26.539 20.872 1.00 0.00 N ATOM 700 CA ILE A 44 27.638 25.679 21.221 1.00 0.00 C ATOM 701 C ILE A 44 26.818 25.464 19.950 1.00 0.00 C ATOM 702 O ILE A 44 26.518 26.403 19.238 1.00 0.00 O ATOM 703 CB ILE A 44 26.768 26.393 22.262 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.611 26.749 23.498 1.00 0.00 C ATOM 705 CG2 ILE A 44 25.605 25.478 22.674 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.312 25.504 24.056 1.00 0.00 C ATOM 0 H ILE A 44 28.572 27.465 20.519 1.00 0.00 H new ATOM 0 HA ILE A 44 27.976 24.727 21.630 1.00 0.00 H new ATOM 0 HB ILE A 44 26.372 27.311 21.828 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.353 27.502 23.233 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.973 27.187 24.265 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.987 25.986 23.414 1.00 0.00 H new ATOM 0 HG22 ILE A 44 25.001 25.240 21.798 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.001 24.557 23.102 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.902 25.780 24.930 1.00 0.00 H new ATOM 0 HD12 ILE A 44 27.565 24.763 24.342 1.00 0.00 H new ATOM 0 HD13 ILE A 44 28.967 25.083 23.293 1.00 0.00 H new ATOM 718 N PHE A 45 26.451 24.246 19.643 1.00 0.00 N ATOM 719 CA PHE A 45 25.657 24.004 18.405 1.00 0.00 C ATOM 720 C PHE A 45 24.770 22.766 18.586 1.00 0.00 C ATOM 721 O PHE A 45 25.246 21.679 18.852 1.00 0.00 O ATOM 722 CB PHE A 45 26.619 23.790 17.232 1.00 0.00 C ATOM 723 CG PHE A 45 25.858 23.289 16.027 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.333 24.195 15.101 1.00 0.00 C ATOM 725 CD2 PHE A 45 25.677 21.914 15.845 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.626 23.726 13.987 1.00 0.00 C ATOM 727 CE2 PHE A 45 24.971 21.444 14.733 1.00 0.00 C ATOM 728 CZ PHE A 45 24.445 22.350 13.803 1.00 0.00 C ATOM 0 H PHE A 45 26.666 23.415 20.193 1.00 0.00 H new ATOM 0 HA PHE A 45 25.018 24.864 18.204 1.00 0.00 H new ATOM 0 HB2 PHE A 45 27.125 24.725 16.990 1.00 0.00 H new ATOM 0 HB3 PHE A 45 27.391 23.072 17.510 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.473 25.256 15.245 1.00 0.00 H new ATOM 0 HD2 PHE A 45 26.082 21.216 16.563 1.00 0.00 H new ATOM 0 HE1 PHE A 45 24.221 24.425 13.270 1.00 0.00 H new ATOM 0 HE2 PHE A 45 24.831 20.382 14.591 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.900 21.987 12.944 1.00 0.00 H new ATOM 738 N ALA A 46 23.489 22.923 18.415 1.00 0.00 N ATOM 739 CA ALA A 46 22.557 21.765 18.541 1.00 0.00 C ATOM 740 C ALA A 46 22.802 20.997 19.846 1.00 0.00 C ATOM 741 O ALA A 46 22.402 19.857 19.977 1.00 0.00 O ATOM 742 CB ALA A 46 22.765 20.821 17.356 1.00 0.00 C ATOM 0 H ALA A 46 23.041 23.812 18.191 1.00 0.00 H new ATOM 0 HA ALA A 46 21.535 22.144 18.551 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.086 19.973 17.443 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.563 21.354 16.427 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.795 20.463 17.352 1.00 0.00 H new ATOM 748 N GLY A 47 23.434 21.598 20.819 1.00 0.00 N ATOM 749 CA GLY A 47 23.669 20.878 22.112 1.00 0.00 C ATOM 750 C GLY A 47 25.034 20.181 22.099 1.00 0.00 C ATOM 751 O GLY A 47 25.439 19.590 23.080 1.00 0.00 O ATOM 0 H GLY A 47 23.797 22.550 20.779 1.00 0.00 H new ATOM 0 HA2 GLY A 47 23.622 21.584 22.941 1.00 0.00 H new ATOM 0 HA3 GLY A 47 22.881 20.143 22.274 1.00 0.00 H new ATOM 755 N LYS A 48 25.752 20.250 21.006 1.00 0.00 N ATOM 756 CA LYS A 48 27.093 19.606 20.923 1.00 0.00 C ATOM 757 C LYS A 48 28.144 20.712 20.846 1.00 0.00 C ATOM 758 O LYS A 48 27.914 21.742 20.247 1.00 0.00 O ATOM 759 CB LYS A 48 27.150 18.758 19.650 1.00 0.00 C ATOM 760 CG LYS A 48 28.536 18.144 19.507 1.00 0.00 C ATOM 761 CD LYS A 48 28.568 17.226 18.284 1.00 0.00 C ATOM 762 CE LYS A 48 29.966 16.625 18.132 1.00 0.00 C ATOM 763 NZ LYS A 48 29.991 15.716 16.950 1.00 0.00 N ATOM 0 H LYS A 48 25.459 20.733 20.157 1.00 0.00 H new ATOM 0 HA LYS A 48 27.277 18.973 21.791 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.396 17.972 19.690 1.00 0.00 H new ATOM 0 HB3 LYS A 48 26.923 19.374 18.780 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.284 18.930 19.404 1.00 0.00 H new ATOM 0 HG3 LYS A 48 28.789 17.579 20.404 1.00 0.00 H new ATOM 0 HD2 LYS A 48 27.829 16.432 18.393 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.303 17.787 17.388 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.703 17.419 18.009 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.237 16.075 19.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 30.193 14.745 17.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 29.067 15.741 16.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 30.730 16.027 16.288 1.00 0.00 H new ATOM 777 N GLN A 49 29.301 20.522 21.430 1.00 0.00 N ATOM 778 CA GLN A 49 30.349 21.574 21.363 1.00 0.00 C ATOM 779 C GLN A 49 31.262 21.286 20.172 1.00 0.00 C ATOM 780 O GLN A 49 31.831 20.219 20.058 1.00 0.00 O ATOM 781 CB GLN A 49 31.173 21.544 22.653 1.00 0.00 C ATOM 782 CG GLN A 49 32.088 22.767 22.709 1.00 0.00 C ATOM 783 CD GLN A 49 33.131 22.573 23.812 1.00 0.00 C ATOM 784 OE1 GLN A 49 34.273 22.264 23.536 1.00 0.00 O ATOM 785 NE2 GLN A 49 32.783 22.742 25.058 1.00 0.00 N ATOM 0 H GLN A 49 29.560 19.683 21.949 1.00 0.00 H new ATOM 0 HA GLN A 49 29.888 22.555 21.247 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.511 21.534 23.519 1.00 0.00 H new ATOM 0 HB3 GLN A 49 31.767 20.631 22.695 1.00 0.00 H new ATOM 0 HG2 GLN A 49 32.582 22.910 21.748 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.501 23.665 22.902 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.824 23.001 25.289 1.00 0.00 H new ATOM 0 HE22 GLN A 49 33.470 22.615 25.801 1.00 0.00 H new ATOM 794 N LEU A 50 31.402 22.223 19.282 1.00 0.00 N ATOM 795 CA LEU A 50 32.272 21.992 18.096 1.00 0.00 C ATOM 796 C LEU A 50 33.729 21.875 18.553 1.00 0.00 C ATOM 797 O LEU A 50 34.141 22.491 19.514 1.00 0.00 O ATOM 798 CB LEU A 50 32.116 23.154 17.113 1.00 0.00 C ATOM 799 CG LEU A 50 30.626 23.427 16.870 1.00 0.00 C ATOM 800 CD1 LEU A 50 30.477 24.460 15.749 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.910 22.126 16.468 1.00 0.00 C ATOM 0 H LEU A 50 30.953 23.138 19.322 1.00 0.00 H new ATOM 0 HA LEU A 50 31.980 21.068 17.597 1.00 0.00 H new ATOM 0 HB2 LEU A 50 32.599 24.047 17.510 1.00 0.00 H new ATOM 0 HB3 LEU A 50 32.611 22.916 16.171 1.00 0.00 H new ATOM 0 HG LEU A 50 30.177 23.810 17.787 1.00 0.00 H new ATOM 0 HD11 LEU A 50 29.419 24.656 15.574 1.00 0.00 H new ATOM 0 HD12 LEU A 50 30.975 25.385 16.038 1.00 0.00 H new ATOM 0 HD13 LEU A 50 30.931 24.074 14.836 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.853 22.330 16.298 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.355 21.733 15.554 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.014 21.392 17.267 1.00 0.00 H new ATOM 813 N GLU A 51 34.504 21.069 17.867 1.00 0.00 N ATOM 814 CA GLU A 51 35.942 20.874 18.245 1.00 0.00 C ATOM 815 C GLU A 51 36.835 21.087 17.021 1.00 0.00 C ATOM 816 O GLU A 51 36.402 20.957 15.894 1.00 0.00 O ATOM 817 CB GLU A 51 36.135 19.448 18.765 1.00 0.00 C ATOM 818 CG GLU A 51 35.044 19.126 19.788 1.00 0.00 C ATOM 819 CD GLU A 51 35.404 17.837 20.527 1.00 0.00 C ATOM 820 OE1 GLU A 51 35.944 16.945 19.894 1.00 0.00 O ATOM 821 OE2 GLU A 51 35.131 17.764 21.715 1.00 0.00 O ATOM 0 H GLU A 51 34.200 20.533 17.054 1.00 0.00 H new ATOM 0 HA GLU A 51 36.212 21.593 19.018 1.00 0.00 H new ATOM 0 HB2 GLU A 51 36.094 18.739 17.938 1.00 0.00 H new ATOM 0 HB3 GLU A 51 37.119 19.346 19.223 1.00 0.00 H new ATOM 0 HG2 GLU A 51 34.941 19.948 20.497 1.00 0.00 H new ATOM 0 HG3 GLU A 51 34.082 19.014 19.287 1.00 0.00 H new ATOM 828 N ASP A 52 38.081 21.411 17.239 1.00 0.00 N ATOM 829 CA ASP A 52 39.010 21.633 16.094 1.00 0.00 C ATOM 830 C ASP A 52 39.075 20.370 15.233 1.00 0.00 C ATOM 831 O ASP A 52 38.811 19.277 15.694 1.00 0.00 O ATOM 832 CB ASP A 52 40.407 21.955 16.631 1.00 0.00 C ATOM 833 CG ASP A 52 40.919 20.779 17.464 1.00 0.00 C ATOM 834 OD1 ASP A 52 40.202 19.798 17.573 1.00 0.00 O ATOM 835 OD2 ASP A 52 42.021 20.881 17.981 1.00 0.00 O ATOM 0 H ASP A 52 38.496 21.532 18.163 1.00 0.00 H new ATOM 0 HA ASP A 52 38.649 22.465 15.489 1.00 0.00 H new ATOM 0 HB2 ASP A 52 41.089 22.152 15.804 1.00 0.00 H new ATOM 0 HB3 ASP A 52 40.374 22.858 17.240 1.00 0.00 H new ATOM 840 N GLY A 53 39.430 20.512 13.984 1.00 0.00 N ATOM 841 CA GLY A 53 39.514 19.321 13.090 1.00 0.00 C ATOM 842 C GLY A 53 38.123 18.982 12.553 1.00 0.00 C ATOM 843 O GLY A 53 37.133 19.554 12.963 1.00 0.00 O ATOM 0 H GLY A 53 39.666 21.402 13.544 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.195 19.522 12.263 1.00 0.00 H new ATOM 0 HA3 GLY A 53 39.920 18.471 13.638 1.00 0.00 H new ATOM 847 N ARG A 54 38.040 18.050 11.644 1.00 0.00 N ATOM 848 CA ARG A 54 36.715 17.665 11.081 1.00 0.00 C ATOM 849 C ARG A 54 36.045 18.892 10.448 1.00 0.00 C ATOM 850 O ARG A 54 36.350 20.023 10.784 1.00 0.00 O ATOM 851 CB ARG A 54 35.828 17.093 12.203 1.00 0.00 C ATOM 852 CG ARG A 54 34.796 16.104 11.622 1.00 0.00 C ATOM 853 CD ARG A 54 35.418 14.705 11.488 1.00 0.00 C ATOM 854 NE ARG A 54 34.367 13.739 11.057 1.00 0.00 N ATOM 855 CZ ARG A 54 34.605 12.456 11.098 1.00 0.00 C ATOM 856 NH1 ARG A 54 33.686 11.611 10.719 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.760 12.020 11.519 1.00 0.00 N ATOM 0 H ARG A 54 38.836 17.537 11.265 1.00 0.00 H new ATOM 0 HA ARG A 54 36.852 16.904 10.312 1.00 0.00 H new ATOM 0 HB2 ARG A 54 36.448 16.588 12.944 1.00 0.00 H new ATOM 0 HB3 ARG A 54 35.314 17.904 12.718 1.00 0.00 H new ATOM 0 HG2 ARG A 54 33.920 16.060 12.269 1.00 0.00 H new ATOM 0 HG3 ARG A 54 34.455 16.453 10.647 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.231 14.724 10.762 1.00 0.00 H new ATOM 0 HD3 ARG A 54 35.848 14.392 12.440 1.00 0.00 H new ATOM 0 HE ARG A 54 33.463 14.080 10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 54 32.783 11.953 10.391 1.00 0.00 H new ATOM 0 HH12 ARG A 54 33.871 10.608 10.751 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.477 12.681 11.816 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.946 11.018 11.551 1.00 0.00 H new ATOM 871 N THR A 55 35.121 18.669 9.544 1.00 0.00 N ATOM 872 CA THR A 55 34.394 19.795 8.878 1.00 0.00 C ATOM 873 C THR A 55 32.894 19.643 9.142 1.00 0.00 C ATOM 874 O THR A 55 32.442 18.617 9.609 1.00 0.00 O ATOM 875 CB THR A 55 34.650 19.742 7.370 1.00 0.00 C ATOM 876 OG1 THR A 55 34.194 18.500 6.856 1.00 0.00 O ATOM 877 CG2 THR A 55 36.149 19.890 7.099 1.00 0.00 C ATOM 0 H THR A 55 34.836 17.740 9.235 1.00 0.00 H new ATOM 0 HA THR A 55 34.746 20.748 9.273 1.00 0.00 H new ATOM 0 HB THR A 55 34.113 20.555 6.882 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.428 18.433 5.907 1.00 0.00 H new ATOM 0 HG21 THR A 55 36.330 19.852 6.025 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.497 20.845 7.492 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.689 19.078 7.587 1.00 0.00 H new ATOM 885 N LEU A 56 32.118 20.648 8.845 1.00 0.00 N ATOM 886 CA LEU A 56 30.649 20.555 9.080 1.00 0.00 C ATOM 887 C LEU A 56 30.066 19.421 8.227 1.00 0.00 C ATOM 888 O LEU A 56 29.306 18.595 8.700 1.00 0.00 O ATOM 889 CB LEU A 56 29.987 21.879 8.682 1.00 0.00 C ATOM 890 CG LEU A 56 30.627 23.046 9.459 1.00 0.00 C ATOM 891 CD1 LEU A 56 30.342 24.368 8.740 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.046 23.116 10.878 1.00 0.00 C ATOM 0 H LEU A 56 32.438 21.532 8.449 1.00 0.00 H new ATOM 0 HA LEU A 56 30.461 20.352 10.134 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.097 22.042 7.610 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.918 21.837 8.890 1.00 0.00 H new ATOM 0 HG LEU A 56 31.703 22.880 9.513 1.00 0.00 H new ATOM 0 HD11 LEU A 56 30.797 25.189 9.294 1.00 0.00 H new ATOM 0 HD12 LEU A 56 30.761 24.333 7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 56 29.265 24.524 8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.505 23.944 11.419 1.00 0.00 H new ATOM 0 HD22 LEU A 56 28.969 23.271 10.823 1.00 0.00 H new ATOM 0 HD23 LEU A 56 30.251 22.182 11.402 1.00 0.00 H new ATOM 904 N SER A 57 30.429 19.363 6.975 1.00 0.00 N ATOM 905 CA SER A 57 29.906 18.275 6.106 1.00 0.00 C ATOM 906 C SER A 57 30.417 16.941 6.646 1.00 0.00 C ATOM 907 O SER A 57 29.669 16.002 6.836 1.00 0.00 O ATOM 908 CB SER A 57 30.400 18.475 4.674 1.00 0.00 C ATOM 909 OG SER A 57 31.821 18.436 4.658 1.00 0.00 O ATOM 0 H SER A 57 31.063 20.020 6.519 1.00 0.00 H new ATOM 0 HA SER A 57 28.816 18.287 6.105 1.00 0.00 H new ATOM 0 HB2 SER A 57 29.996 17.697 4.026 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.046 19.430 4.285 1.00 0.00 H new ATOM 0 HG SER A 57 32.141 18.562 3.741 1.00 0.00 H new ATOM 915 N ASP A 58 31.692 16.859 6.892 1.00 0.00 N ATOM 916 CA ASP A 58 32.272 15.596 7.420 1.00 0.00 C ATOM 917 C ASP A 58 31.486 15.146 8.654 1.00 0.00 C ATOM 918 O ASP A 58 31.377 13.968 8.926 1.00 0.00 O ATOM 919 CB ASP A 58 33.735 15.821 7.801 1.00 0.00 C ATOM 920 CG ASP A 58 34.587 15.928 6.534 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.067 15.641 5.467 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.744 16.296 6.651 1.00 0.00 O ATOM 0 H ASP A 58 32.361 17.616 6.749 1.00 0.00 H new ATOM 0 HA ASP A 58 32.213 14.825 6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.831 16.731 8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.090 14.998 8.421 1.00 0.00 H new ATOM 927 N TYR A 59 30.928 16.063 9.408 1.00 0.00 N ATOM 928 CA TYR A 59 30.155 15.637 10.608 1.00 0.00 C ATOM 929 C TYR A 59 28.829 15.028 10.136 1.00 0.00 C ATOM 930 O TYR A 59 28.197 14.274 10.847 1.00 0.00 O ATOM 931 CB TYR A 59 29.874 16.855 11.511 1.00 0.00 C ATOM 932 CG TYR A 59 31.016 17.066 12.490 1.00 0.00 C ATOM 933 CD1 TYR A 59 31.765 18.252 12.454 1.00 0.00 C ATOM 934 CD2 TYR A 59 31.317 16.079 13.437 1.00 0.00 C ATOM 935 CE1 TYR A 59 32.810 18.446 13.365 1.00 0.00 C ATOM 936 CE2 TYR A 59 32.365 16.274 14.345 1.00 0.00 C ATOM 937 CZ TYR A 59 33.110 17.457 14.309 1.00 0.00 C ATOM 938 OH TYR A 59 34.143 17.650 15.205 1.00 0.00 O ATOM 0 H TYR A 59 30.975 17.069 9.246 1.00 0.00 H new ATOM 0 HA TYR A 59 30.725 14.904 11.178 1.00 0.00 H new ATOM 0 HB2 TYR A 59 29.743 17.747 10.898 1.00 0.00 H new ATOM 0 HB3 TYR A 59 28.943 16.703 12.057 1.00 0.00 H new ATOM 0 HD1 TYR A 59 31.536 19.014 11.724 1.00 0.00 H new ATOM 0 HD2 TYR A 59 30.740 15.166 13.467 1.00 0.00 H new ATOM 0 HE1 TYR A 59 33.385 19.360 13.339 1.00 0.00 H new ATOM 0 HE2 TYR A 59 32.598 15.511 15.073 1.00 0.00 H new ATOM 0 HH TYR A 59 34.217 16.869 15.792 1.00 0.00 H new ATOM 948 N ASN A 60 28.410 15.353 8.941 1.00 0.00 N ATOM 949 CA ASN A 60 27.129 14.794 8.417 1.00 0.00 C ATOM 950 C ASN A 60 25.968 15.213 9.324 1.00 0.00 C ATOM 951 O ASN A 60 25.205 14.390 9.788 1.00 0.00 O ATOM 952 CB ASN A 60 27.216 13.264 8.365 1.00 0.00 C ATOM 953 CG ASN A 60 26.119 12.717 7.448 1.00 0.00 C ATOM 954 OD1 ASN A 60 25.782 13.330 6.453 1.00 0.00 O ATOM 955 ND2 ASN A 60 25.542 11.585 7.742 1.00 0.00 N ATOM 0 H ASN A 60 28.900 15.982 8.305 1.00 0.00 H new ATOM 0 HA ASN A 60 26.956 15.180 7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 60 28.196 12.958 7.999 1.00 0.00 H new ATOM 0 HB3 ASN A 60 27.106 12.849 9.367 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.809 11.214 7.138 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.824 11.070 8.576 1.00 0.00 H new ATOM 962 N ILE A 61 25.824 16.486 9.571 1.00 0.00 N ATOM 963 CA ILE A 61 24.704 16.959 10.438 1.00 0.00 C ATOM 964 C ILE A 61 23.436 17.096 9.592 1.00 0.00 C ATOM 965 O ILE A 61 23.392 17.856 8.645 1.00 0.00 O ATOM 966 CB ILE A 61 25.063 18.320 11.040 1.00 0.00 C ATOM 967 CG1 ILE A 61 26.424 18.241 11.749 1.00 0.00 C ATOM 968 CG2 ILE A 61 23.984 18.742 12.042 1.00 0.00 C ATOM 969 CD1 ILE A 61 26.436 17.084 12.759 1.00 0.00 C ATOM 0 H ILE A 61 26.433 17.221 9.210 1.00 0.00 H new ATOM 0 HA ILE A 61 24.535 16.241 11.241 1.00 0.00 H new ATOM 0 HB ILE A 61 25.122 19.057 10.239 1.00 0.00 H new ATOM 0 HG12 ILE A 61 27.216 18.099 11.014 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.629 19.181 12.261 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.243 19.711 12.469 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.023 18.815 11.533 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.917 18.001 12.839 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.407 17.042 13.252 1.00 0.00 H new ATOM 0 HD12 ILE A 61 25.657 17.244 13.504 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.253 16.144 12.238 1.00 0.00 H new ATOM 981 N GLN A 62 22.406 16.367 9.925 1.00 0.00 N ATOM 982 CA GLN A 62 21.137 16.453 9.141 1.00 0.00 C ATOM 983 C GLN A 62 20.244 17.547 9.730 1.00 0.00 C ATOM 984 O GLN A 62 19.177 17.279 10.246 1.00 0.00 O ATOM 985 CB GLN A 62 20.407 15.110 9.208 1.00 0.00 C ATOM 986 CG GLN A 62 21.292 14.016 8.610 1.00 0.00 C ATOM 987 CD GLN A 62 20.547 12.679 8.647 1.00 0.00 C ATOM 988 OE1 GLN A 62 19.476 12.553 8.087 1.00 0.00 O ATOM 989 NE2 GLN A 62 21.073 11.671 9.286 1.00 0.00 N ATOM 0 H GLN A 62 22.387 15.713 10.708 1.00 0.00 H new ATOM 0 HA GLN A 62 21.367 16.693 8.103 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.162 14.869 10.242 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.465 15.169 8.663 1.00 0.00 H new ATOM 0 HG2 GLN A 62 21.557 14.269 7.583 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.224 13.941 9.170 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.972 11.778 9.756 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.585 10.776 9.316 1.00 0.00 H new ATOM 998 N LYS A 63 20.669 18.779 9.658 1.00 0.00 N ATOM 999 CA LYS A 63 19.842 19.888 10.214 1.00 0.00 C ATOM 1000 C LYS A 63 18.748 20.261 9.210 1.00 0.00 C ATOM 1001 O LYS A 63 17.676 20.696 9.580 1.00 0.00 O ATOM 1002 CB LYS A 63 20.729 21.106 10.477 1.00 0.00 C ATOM 1003 CG LYS A 63 19.934 22.162 11.248 1.00 0.00 C ATOM 1004 CD LYS A 63 20.844 23.345 11.581 1.00 0.00 C ATOM 1005 CE LYS A 63 20.087 24.339 12.465 1.00 0.00 C ATOM 1006 NZ LYS A 63 18.911 24.872 11.721 1.00 0.00 N ATOM 0 H LYS A 63 21.553 19.066 9.238 1.00 0.00 H new ATOM 0 HA LYS A 63 19.384 19.565 11.149 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.610 20.811 11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.084 21.520 9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.085 22.499 10.653 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.530 21.731 12.164 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.740 22.995 12.094 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.172 23.834 10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.759 23.850 13.382 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.746 25.156 12.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.934 25.912 11.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.943 24.538 10.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.035 24.539 12.172 1.00 0.00 H new ATOM 1020 N GLU A 64 19.012 20.096 7.944 1.00 0.00 N ATOM 1021 CA GLU A 64 17.990 20.441 6.916 1.00 0.00 C ATOM 1022 C GLU A 64 17.491 21.869 7.149 1.00 0.00 C ATOM 1023 O GLU A 64 16.309 22.106 7.307 1.00 0.00 O ATOM 1024 CB GLU A 64 16.814 19.465 7.018 1.00 0.00 C ATOM 1025 CG GLU A 64 15.945 19.577 5.764 1.00 0.00 C ATOM 1026 CD GLU A 64 14.812 18.550 5.832 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.739 17.845 6.825 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.039 18.485 4.892 1.00 0.00 O ATOM 0 H GLU A 64 19.893 19.737 7.576 1.00 0.00 H new ATOM 0 HA GLU A 64 18.435 20.371 5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.183 18.445 7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.221 19.686 7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.533 20.583 5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.550 19.408 4.873 1.00 0.00 H new HETATM 1035 N SEP A 65 18.382 22.823 7.172 1.00 0.00 N HETATM 1036 CA SEP A 65 17.960 24.236 7.396 1.00 0.00 C HETATM 1037 CB SEP A 65 17.100 24.321 8.660 1.00 0.00 C HETATM 1038 OG SEP A 65 17.253 25.607 9.246 1.00 0.00 O HETATM 1039 C SEP A 65 19.201 25.115 7.565 1.00 0.00 C HETATM 1040 O SEP A 65 20.305 24.627 7.707 1.00 0.00 O HETATM 1041 P SEP A 65 16.235 26.105 10.286 1.00 0.00 P HETATM 1042 O1P SEP A 65 14.843 26.030 9.570 1.00 0.00 O HETATM 1043 O2P SEP A 65 16.363 25.117 11.494 1.00 0.00 O HETATM 1044 O3P SEP A 65 16.676 27.567 10.629 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.053 24.143 8.414 1.00 0.00 H new HETATM 0 HB2 SEP A 65 17.397 23.548 9.369 1.00 0.00 H new HETATM 0 HA SEP A 65 17.380 24.582 6.540 1.00 0.00 H new HETATM 1049 N TPO A 66 19.031 26.408 7.552 1.00 0.00 N HETATM 1050 CA TPO A 66 20.201 27.316 7.714 1.00 0.00 C HETATM 1051 CB TPO A 66 19.709 28.752 7.914 1.00 0.00 C HETATM 1052 CG2 TPO A 66 20.879 29.723 7.737 1.00 0.00 C HETATM 1053 OG1 TPO A 66 18.699 29.043 6.958 1.00 0.00 O HETATM 1054 P TPO A 66 17.738 30.220 7.190 1.00 0.00 P HETATM 1055 O1P TPO A 66 18.612 31.507 7.018 1.00 0.00 O HETATM 1056 O2P TPO A 66 17.194 30.029 8.647 1.00 0.00 O HETATM 1057 O3P TPO A 66 16.631 30.070 6.091 1.00 0.00 O HETATM 1058 C TPO A 66 21.016 26.881 8.933 1.00 0.00 C HETATM 1059 O TPO A 66 20.472 26.516 9.956 1.00 0.00 O HETATM 0 HG23 TPO A 66 21.652 29.499 8.472 1.00 0.00 H new HETATM 0 HG22 TPO A 66 21.291 29.617 6.733 1.00 0.00 H new HETATM 0 HG21 TPO A 66 20.528 30.745 7.879 1.00 0.00 H new HETATM 0 HB TPO A 66 19.299 28.860 8.918 1.00 0.00 H new HETATM 0 HA TPO A 66 20.826 27.268 6.822 1.00 0.00 H new HETATM 0 H TPO A 66 18.084 26.786 7.585 1.00 0.00 H new ATOM 1066 N LEU A 67 22.317 26.913 8.833 1.00 0.00 N ATOM 1067 CA LEU A 67 23.166 26.497 9.988 1.00 0.00 C ATOM 1068 C LEU A 67 23.348 27.681 10.940 1.00 0.00 C ATOM 1069 O LEU A 67 23.909 28.700 10.582 1.00 0.00 O ATOM 1070 CB LEU A 67 24.533 26.040 9.476 1.00 0.00 C ATOM 1071 CG LEU A 67 24.349 25.094 8.285 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.719 24.619 7.794 1.00 0.00 C ATOM 1073 CD2 LEU A 67 23.510 23.882 8.712 1.00 0.00 C ATOM 0 H LEU A 67 22.829 27.209 8.002 1.00 0.00 H new ATOM 0 HA LEU A 67 22.683 25.676 10.518 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.128 26.904 9.178 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.080 25.535 10.272 1.00 0.00 H new ATOM 0 HG LEU A 67 23.837 25.622 7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.589 23.946 6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.313 25.479 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.232 24.093 8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.381 23.211 7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.019 23.353 9.518 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.533 24.220 9.059 1.00 0.00 H new ATOM 1085 N HIS A 68 22.877 27.549 12.156 1.00 0.00 N ATOM 1086 CA HIS A 68 23.011 28.654 13.158 1.00 0.00 C ATOM 1087 C HIS A 68 24.036 28.251 14.221 1.00 0.00 C ATOM 1088 O HIS A 68 23.975 27.170 14.773 1.00 0.00 O ATOM 1089 CB HIS A 68 21.657 28.894 13.830 1.00 0.00 C ATOM 1090 CG HIS A 68 20.650 29.312 12.793 1.00 0.00 C ATOM 1091 ND1 HIS A 68 20.688 30.558 12.184 1.00 0.00 N ATOM 1092 CD2 HIS A 68 19.571 28.659 12.248 1.00 0.00 C ATOM 1093 CE1 HIS A 68 19.662 30.617 11.316 1.00 0.00 C ATOM 1094 NE2 HIS A 68 18.953 29.487 11.317 1.00 0.00 N ATOM 0 H HIS A 68 22.401 26.715 12.501 1.00 0.00 H new ATOM 0 HA HIS A 68 23.339 29.565 12.657 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.322 27.986 14.332 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.750 29.666 14.594 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.253 27.659 12.503 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.440 31.473 10.696 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.130 29.275 10.753 1.00 0.00 H new ATOM 1103 N LEU A 69 24.976 29.116 14.512 1.00 0.00 N ATOM 1104 CA LEU A 69 26.020 28.807 15.541 1.00 0.00 C ATOM 1105 C LEU A 69 26.001 29.899 16.612 1.00 0.00 C ATOM 1106 O LEU A 69 25.691 31.042 16.336 1.00 0.00 O ATOM 1107 CB LEU A 69 27.407 28.782 14.883 1.00 0.00 C ATOM 1108 CG LEU A 69 27.503 27.621 13.862 1.00 0.00 C ATOM 1109 CD1 LEU A 69 27.040 28.086 12.474 1.00 0.00 C ATOM 1110 CD2 LEU A 69 28.957 27.142 13.758 1.00 0.00 C ATOM 0 H LEU A 69 25.066 30.034 14.076 1.00 0.00 H new ATOM 0 HA LEU A 69 25.811 27.835 15.988 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.595 29.731 14.382 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.176 28.667 15.647 1.00 0.00 H new ATOM 0 HG LEU A 69 26.862 26.809 14.205 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.114 27.258 11.769 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.005 28.423 12.530 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.672 28.907 12.136 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.020 26.325 13.039 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.589 27.966 13.428 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.296 26.794 14.734 1.00 0.00 H new ATOM 1122 N VAL A 70 26.341 29.562 17.833 1.00 0.00 N ATOM 1123 CA VAL A 70 26.357 30.579 18.933 1.00 0.00 C ATOM 1124 C VAL A 70 27.668 30.433 19.707 1.00 0.00 C ATOM 1125 O VAL A 70 27.909 29.431 20.349 1.00 0.00 O ATOM 1126 CB VAL A 70 25.179 30.331 19.877 1.00 0.00 C ATOM 1127 CG1 VAL A 70 25.187 31.378 20.991 1.00 0.00 C ATOM 1128 CG2 VAL A 70 23.868 30.432 19.091 1.00 0.00 C ATOM 0 H VAL A 70 26.610 28.620 18.117 1.00 0.00 H new ATOM 0 HA VAL A 70 26.275 31.583 18.516 1.00 0.00 H new ATOM 0 HB VAL A 70 25.267 29.336 20.314 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.347 31.201 21.663 1.00 0.00 H new ATOM 0 HG12 VAL A 70 26.120 31.308 21.550 1.00 0.00 H new ATOM 0 HG13 VAL A 70 25.099 32.373 20.555 1.00 0.00 H new ATOM 0 HG21 VAL A 70 23.027 30.256 19.762 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.781 31.427 18.654 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.861 29.685 18.297 1.00 0.00 H new ATOM 1138 N LEU A 71 28.527 31.417 19.641 1.00 0.00 N ATOM 1139 CA LEU A 71 29.837 31.331 20.359 1.00 0.00 C ATOM 1140 C LEU A 71 29.742 32.053 21.702 1.00 0.00 C ATOM 1141 O LEU A 71 29.045 33.038 21.840 1.00 0.00 O ATOM 1142 CB LEU A 71 30.921 31.993 19.496 1.00 0.00 C ATOM 1143 CG LEU A 71 32.327 31.810 20.136 1.00 0.00 C ATOM 1144 CD1 LEU A 71 33.378 31.608 19.038 1.00 0.00 C ATOM 1145 CD2 LEU A 71 32.716 33.054 20.957 1.00 0.00 C ATOM 0 H LEU A 71 28.378 32.281 19.119 1.00 0.00 H new ATOM 0 HA LEU A 71 30.089 30.285 20.536 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.912 31.558 18.497 1.00 0.00 H new ATOM 0 HB3 LEU A 71 30.704 33.055 19.383 1.00 0.00 H new ATOM 0 HG LEU A 71 32.289 30.938 20.789 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.360 31.481 19.493 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.130 30.720 18.456 1.00 0.00 H new ATOM 0 HD13 LEU A 71 33.392 32.479 18.383 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.702 32.906 21.396 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.736 33.928 20.306 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.985 33.209 21.750 1.00 0.00 H new ATOM 1157 N ARG A 72 30.460 31.576 22.690 1.00 0.00 N ATOM 1158 CA ARG A 72 30.454 32.225 24.039 1.00 0.00 C ATOM 1159 C ARG A 72 31.887 32.649 24.371 1.00 0.00 C ATOM 1160 O ARG A 72 32.829 31.969 24.015 1.00 0.00 O ATOM 1161 CB ARG A 72 29.967 31.217 25.085 1.00 0.00 C ATOM 1162 CG ARG A 72 29.600 31.952 26.375 1.00 0.00 C ATOM 1163 CD ARG A 72 29.445 30.939 27.512 1.00 0.00 C ATOM 1164 NE ARG A 72 28.537 29.842 27.078 1.00 0.00 N ATOM 1165 CZ ARG A 72 28.550 28.698 27.707 1.00 0.00 C ATOM 1166 NH1 ARG A 72 27.751 27.737 27.329 1.00 0.00 N ATOM 1167 NH2 ARG A 72 29.362 28.514 28.712 1.00 0.00 N ATOM 0 H ARG A 72 31.058 30.753 22.618 1.00 0.00 H new ATOM 0 HA ARG A 72 29.792 33.091 24.041 1.00 0.00 H new ATOM 0 HB2 ARG A 72 29.102 30.674 24.706 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.745 30.479 25.284 1.00 0.00 H new ATOM 0 HG2 ARG A 72 30.373 32.679 26.624 1.00 0.00 H new ATOM 0 HG3 ARG A 72 28.672 32.507 26.239 1.00 0.00 H new ATOM 0 HD2 ARG A 72 30.418 30.533 27.787 1.00 0.00 H new ATOM 0 HD3 ARG A 72 29.043 31.430 28.398 1.00 0.00 H new ATOM 0 HE ARG A 72 27.905 29.984 26.290 1.00 0.00 H new ATOM 0 HH11 ARG A 72 27.117 27.880 26.543 1.00 0.00 H new ATOM 0 HH12 ARG A 72 27.761 26.843 27.820 1.00 0.00 H new ATOM 0 HH21 ARG A 72 29.987 29.264 29.007 1.00 0.00 H new ATOM 0 HH22 ARG A 72 29.372 27.620 29.203 1.00 0.00 H new ATOM 1181 N LEU A 73 32.065 33.756 25.054 1.00 0.00 N ATOM 1182 CA LEU A 73 33.447 34.217 25.414 1.00 0.00 C ATOM 1183 C LEU A 73 33.586 34.240 26.939 1.00 0.00 C ATOM 1184 O LEU A 73 32.809 34.867 27.631 1.00 0.00 O ATOM 1185 CB LEU A 73 33.678 35.635 24.857 1.00 0.00 C ATOM 1186 CG LEU A 73 32.401 36.499 25.032 1.00 0.00 C ATOM 1187 CD1 LEU A 73 32.790 37.966 25.260 1.00 0.00 C ATOM 1188 CD2 LEU A 73 31.521 36.406 23.774 1.00 0.00 C ATOM 0 H LEU A 73 31.312 34.362 25.379 1.00 0.00 H new ATOM 0 HA LEU A 73 34.184 33.537 24.987 1.00 0.00 H new ATOM 0 HB2 LEU A 73 34.516 36.104 25.374 1.00 0.00 H new ATOM 0 HB3 LEU A 73 33.945 35.579 23.802 1.00 0.00 H new ATOM 0 HG LEU A 73 31.846 36.126 25.893 1.00 0.00 H new ATOM 0 HD11 LEU A 73 31.889 38.567 25.382 1.00 0.00 H new ATOM 0 HD12 LEU A 73 33.403 38.045 26.158 1.00 0.00 H new ATOM 0 HD13 LEU A 73 33.355 38.330 24.402 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.628 37.016 23.909 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.081 36.767 22.911 1.00 0.00 H new ATOM 0 HD23 LEU A 73 31.230 35.369 23.609 1.00 0.00 H new ATOM 1200 N ARG A 74 34.569 33.565 27.468 1.00 0.00 N ATOM 1201 CA ARG A 74 34.752 33.554 28.947 1.00 0.00 C ATOM 1202 C ARG A 74 35.206 34.939 29.414 1.00 0.00 C ATOM 1203 O ARG A 74 35.701 35.735 28.640 1.00 0.00 O ATOM 1204 CB ARG A 74 35.812 32.517 29.324 1.00 0.00 C ATOM 1205 CG ARG A 74 35.233 31.110 29.150 1.00 0.00 C ATOM 1206 CD ARG A 74 36.253 30.074 29.626 1.00 0.00 C ATOM 1207 NE ARG A 74 35.645 28.716 29.572 1.00 0.00 N ATOM 1208 CZ ARG A 74 36.262 27.700 30.112 1.00 0.00 C ATOM 1209 NH1 ARG A 74 35.725 26.512 30.067 1.00 0.00 N ATOM 1210 NH2 ARG A 74 37.416 27.874 30.697 1.00 0.00 N ATOM 0 H ARG A 74 35.253 33.021 26.941 1.00 0.00 H new ATOM 0 HA ARG A 74 33.808 33.298 29.427 1.00 0.00 H new ATOM 0 HB2 ARG A 74 36.695 32.639 28.696 1.00 0.00 H new ATOM 0 HB3 ARG A 74 36.131 32.666 30.356 1.00 0.00 H new ATOM 0 HG2 ARG A 74 34.308 31.013 29.719 1.00 0.00 H new ATOM 0 HG3 ARG A 74 34.983 30.935 28.104 1.00 0.00 H new ATOM 0 HD2 ARG A 74 37.144 30.110 28.999 1.00 0.00 H new ATOM 0 HD3 ARG A 74 36.570 30.302 30.644 1.00 0.00 H new ATOM 0 HE ARG A 74 34.745 28.579 29.112 1.00 0.00 H new ATOM 0 HH11 ARG A 74 34.823 26.377 29.610 1.00 0.00 H new ATOM 0 HH12 ARG A 74 36.207 25.718 30.489 1.00 0.00 H new ATOM 0 HH21 ARG A 74 37.835 28.803 30.732 1.00 0.00 H new ATOM 0 HH22 ARG A 74 37.899 27.081 31.119 1.00 0.00 H new ATOM 1224 N GLY A 75 35.041 35.234 30.674 1.00 0.00 N ATOM 1225 CA GLY A 75 35.462 36.568 31.192 1.00 0.00 C ATOM 1226 C GLY A 75 34.370 37.598 30.900 1.00 0.00 C ATOM 1227 O GLY A 75 34.523 38.773 31.169 1.00 0.00 O ATOM 0 H GLY A 75 34.632 34.609 31.369 1.00 0.00 H new ATOM 0 HA2 GLY A 75 35.646 36.512 32.265 1.00 0.00 H new ATOM 0 HA3 GLY A 75 36.398 36.873 30.724 1.00 0.00 H new ATOM 1231 N GLY A 76 33.266 37.167 30.353 1.00 0.00 N ATOM 1232 CA GLY A 76 32.163 38.123 30.044 1.00 0.00 C ATOM 1233 C GLY A 76 30.842 37.361 29.933 1.00 0.00 C ATOM 1234 O GLY A 76 30.837 36.314 29.306 1.00 0.00 O ATOM 1235 OXT GLY A 76 29.858 37.836 30.474 1.00 0.00 O ATOM 0 H GLY A 76 33.080 36.195 30.107 1.00 0.00 H new ATOM 0 HA2 GLY A 76 32.094 38.880 30.826 1.00 0.00 H new ATOM 0 HA3 GLY A 76 32.372 38.647 29.111 1.00 0.00 H new TER 1239 GLY A 76