USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=18 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 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD NoAdj-H: A 66 TPO H : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Set 1.1: A 22 THR OG1 : rot 176:sc= -0.617 USER MOD Set 1.2: A 25 ASN :FLIP amide:sc= -1.1 F(o=-3.5!,f=-1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.716 (180deg=0.278) USER MOD Single : A 2 GLN : amide:sc= -2.04! C(o=-2!,f=-2.1!) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc=-0.00123 (180deg=-0.219) USER MOD Single : A 7 THR OG1 : rot 85:sc= 0.00548 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -149:sc= -0.136 (180deg=-0.891) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -0.0332 (180deg=-0.338) USER MOD Single : A 29 LYS NZ :NH3+ 134:sc= -0.0341 (180deg=-0.236) USER MOD Single : A 31 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.49) USER MOD Single : A 33 LYS NZ :NH3+ -116:sc= -0.0355 (180deg=-1.34!) USER MOD Single : A 40 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.25) USER MOD Single : A 41 GLN : amide:sc= -0.195 K(o=-0.19,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 156:sc= -0.0771 (180deg=-0.787) USER MOD Single : A 49 GLN : amide:sc= -1.04 X(o=-1,f=-0.77) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.82 USER MOD Single : A 57 SER OG : rot 68:sc= -0.0459 USER MOD Single : A 59 TYR OH : rot 0:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.185 X(o=-0.19,f=-0.35) USER MOD Single : A 62 GLN : amide:sc= 0.3 X(o=0.3,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -0.0452 (180deg=-0.415) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.332 24.265 2.664 1.00 0.00 N ATOM 2 CA MET A 1 25.399 25.426 2.698 1.00 0.00 C ATOM 3 C MET A 1 26.160 26.677 3.137 1.00 0.00 C ATOM 4 O MET A 1 27.222 26.597 3.723 1.00 0.00 O ATOM 5 CB MET A 1 24.268 25.142 3.690 1.00 0.00 C ATOM 6 CG MET A 1 23.451 23.943 3.204 1.00 0.00 C ATOM 7 SD MET A 1 22.573 24.385 1.685 1.00 0.00 S ATOM 8 CE MET A 1 21.701 22.816 1.460 1.00 0.00 C ATOM 0 H1 MET A 1 25.896 23.484 2.133 1.00 0.00 H new ATOM 0 H2 MET A 1 27.219 24.546 2.200 1.00 0.00 H new ATOM 0 H3 MET A 1 26.533 23.953 3.635 1.00 0.00 H new ATOM 0 HA MET A 1 24.979 25.585 1.705 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.680 24.938 4.678 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.626 26.018 3.786 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.107 23.092 3.022 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.740 23.639 3.972 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.086 22.867 0.561 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.426 22.008 1.358 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.065 22.626 2.325 1.00 0.00 H new ATOM 20 N GLN A 2 25.631 27.839 2.852 1.00 0.00 N ATOM 21 CA GLN A 2 26.323 29.102 3.249 1.00 0.00 C ATOM 22 C GLN A 2 25.752 29.608 4.573 1.00 0.00 C ATOM 23 O GLN A 2 24.554 29.612 4.782 1.00 0.00 O ATOM 24 CB GLN A 2 26.096 30.160 2.166 1.00 0.00 C ATOM 25 CG GLN A 2 26.876 29.779 0.907 1.00 0.00 C ATOM 26 CD GLN A 2 26.276 28.508 0.301 1.00 0.00 C ATOM 27 OE1 GLN A 2 25.112 28.477 -0.045 1.00 0.00 O ATOM 28 NE2 GLN A 2 27.028 27.450 0.162 1.00 0.00 N ATOM 0 H GLN A 2 24.747 27.968 2.360 1.00 0.00 H new ATOM 0 HA GLN A 2 27.390 28.911 3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.033 30.239 1.938 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.419 31.137 2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.839 30.593 0.183 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.926 29.618 1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 2 28.005 27.477 0.453 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.638 26.596 -0.237 1.00 0.00 H new ATOM 37 N ILE A 3 26.597 30.049 5.468 1.00 0.00 N ATOM 38 CA ILE A 3 26.113 30.570 6.778 1.00 0.00 C ATOM 39 C ILE A 3 27.024 31.733 7.193 1.00 0.00 C ATOM 40 O ILE A 3 28.079 31.928 6.620 1.00 0.00 O ATOM 41 CB ILE A 3 26.154 29.440 7.819 1.00 0.00 C ATOM 42 CG1 ILE A 3 25.307 29.831 9.027 1.00 0.00 C ATOM 43 CG2 ILE A 3 27.591 29.180 8.271 1.00 0.00 C ATOM 44 CD1 ILE A 3 25.298 28.693 10.051 1.00 0.00 C ATOM 0 H ILE A 3 27.609 30.070 5.345 1.00 0.00 H new ATOM 0 HA ILE A 3 25.085 30.925 6.703 1.00 0.00 H new ATOM 0 HB ILE A 3 25.758 28.531 7.366 1.00 0.00 H new ATOM 0 HG12 ILE A 3 25.705 30.738 9.482 1.00 0.00 H new ATOM 0 HG13 ILE A 3 24.288 30.054 8.710 1.00 0.00 H new ATOM 0 HG21 ILE A 3 27.601 28.377 9.008 1.00 0.00 H new ATOM 0 HG22 ILE A 3 28.196 28.891 7.412 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.002 30.086 8.716 1.00 0.00 H new ATOM 0 HD11 ILE A 3 24.691 28.981 10.910 1.00 0.00 H new ATOM 0 HD12 ILE A 3 24.879 27.796 9.595 1.00 0.00 H new ATOM 0 HD13 ILE A 3 26.318 28.490 10.379 1.00 0.00 H new ATOM 56 N PHE A 4 26.623 32.522 8.163 1.00 0.00 N ATOM 57 CA PHE A 4 27.467 33.684 8.589 1.00 0.00 C ATOM 58 C PHE A 4 27.623 33.681 10.108 1.00 0.00 C ATOM 59 O PHE A 4 26.834 33.102 10.818 1.00 0.00 O ATOM 60 CB PHE A 4 26.786 34.982 8.150 1.00 0.00 C ATOM 61 CG PHE A 4 26.654 34.998 6.644 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.688 34.201 6.019 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.496 35.808 5.871 1.00 0.00 C ATOM 64 CE1 PHE A 4 25.562 34.215 4.624 1.00 0.00 C ATOM 65 CE2 PHE A 4 27.370 35.822 4.476 1.00 0.00 C ATOM 66 CZ PHE A 4 26.404 35.024 3.854 1.00 0.00 C ATOM 0 H PHE A 4 25.749 32.411 8.677 1.00 0.00 H new ATOM 0 HA PHE A 4 28.452 33.607 8.129 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.802 35.064 8.613 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.368 35.841 8.484 1.00 0.00 H new ATOM 0 HD1 PHE A 4 25.039 33.575 6.613 1.00 0.00 H new ATOM 0 HD2 PHE A 4 28.243 36.422 6.351 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.815 33.601 4.143 1.00 0.00 H new ATOM 0 HE2 PHE A 4 28.018 36.448 3.881 1.00 0.00 H new ATOM 0 HZ PHE A 4 26.308 35.033 2.778 1.00 0.00 H new ATOM 76 N VAL A 5 28.651 34.319 10.612 1.00 0.00 N ATOM 77 CA VAL A 5 28.868 34.366 12.092 1.00 0.00 C ATOM 78 C VAL A 5 29.007 35.827 12.518 1.00 0.00 C ATOM 79 O VAL A 5 29.877 36.539 12.056 1.00 0.00 O ATOM 80 CB VAL A 5 30.141 33.599 12.450 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.334 33.615 13.968 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.011 32.152 11.971 1.00 0.00 C ATOM 0 H VAL A 5 29.353 34.812 10.059 1.00 0.00 H new ATOM 0 HA VAL A 5 28.024 33.908 12.608 1.00 0.00 H new ATOM 0 HB VAL A 5 30.999 34.069 11.968 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.241 33.068 14.225 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.421 34.645 14.313 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.477 33.143 14.449 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.917 31.602 12.225 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.155 31.684 12.456 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.868 32.138 10.890 1.00 0.00 H new ATOM 92 N LYS A 6 28.152 36.281 13.397 1.00 0.00 N ATOM 93 CA LYS A 6 28.226 37.696 13.858 1.00 0.00 C ATOM 94 C LYS A 6 29.103 37.771 15.110 1.00 0.00 C ATOM 95 O LYS A 6 28.841 37.116 16.101 1.00 0.00 O ATOM 96 CB LYS A 6 26.815 38.186 14.189 1.00 0.00 C ATOM 97 CG LYS A 6 26.858 39.672 14.541 1.00 0.00 C ATOM 98 CD LYS A 6 25.436 40.173 14.804 1.00 0.00 C ATOM 99 CE LYS A 6 25.456 41.688 15.012 1.00 0.00 C ATOM 100 NZ LYS A 6 26.198 42.008 16.264 1.00 0.00 N ATOM 0 H LYS A 6 27.403 35.729 13.816 1.00 0.00 H new ATOM 0 HA LYS A 6 28.656 38.322 13.076 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.153 38.022 13.338 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.408 37.616 15.024 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.480 39.831 15.422 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.310 40.237 13.726 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.789 39.920 13.964 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.023 39.680 15.684 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.930 42.176 14.161 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.437 42.071 15.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.028 43.000 16.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.869 41.388 17.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.216 41.860 16.112 1.00 0.00 H new ATOM 114 N THR A 7 30.148 38.561 15.074 1.00 0.00 N ATOM 115 CA THR A 7 31.048 38.675 16.266 1.00 0.00 C ATOM 116 C THR A 7 30.646 39.898 17.097 1.00 0.00 C ATOM 117 O THR A 7 29.965 40.785 16.625 1.00 0.00 O ATOM 118 CB THR A 7 32.496 38.829 15.797 1.00 0.00 C ATOM 119 OG1 THR A 7 32.811 37.778 14.893 1.00 0.00 O ATOM 120 CG2 THR A 7 33.436 38.766 17.002 1.00 0.00 C ATOM 0 H THR A 7 30.417 39.131 14.272 1.00 0.00 H new ATOM 0 HA THR A 7 30.957 37.777 16.877 1.00 0.00 H new ATOM 0 HB THR A 7 32.616 39.790 15.297 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.518 38.024 13.991 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.467 38.876 16.665 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.193 39.571 17.696 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.319 37.806 17.505 1.00 0.00 H new ATOM 128 N LEU A 8 31.057 39.946 18.336 1.00 0.00 N ATOM 129 CA LEU A 8 30.692 41.103 19.204 1.00 0.00 C ATOM 130 C LEU A 8 31.285 42.396 18.634 1.00 0.00 C ATOM 131 O LEU A 8 30.808 43.480 18.909 1.00 0.00 O ATOM 132 CB LEU A 8 31.244 40.878 20.613 1.00 0.00 C ATOM 133 CG LEU A 8 30.902 39.462 21.084 1.00 0.00 C ATOM 134 CD1 LEU A 8 31.382 39.280 22.526 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.384 39.244 21.015 1.00 0.00 C ATOM 0 H LEU A 8 31.631 39.232 18.785 1.00 0.00 H new ATOM 0 HA LEU A 8 29.606 41.189 19.240 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.325 41.022 20.617 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.822 41.612 21.300 1.00 0.00 H new ATOM 0 HG LEU A 8 31.396 38.736 20.439 1.00 0.00 H new ATOM 0 HD11 LEU A 8 31.140 38.273 22.866 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.461 39.429 22.572 1.00 0.00 H new ATOM 0 HD13 LEU A 8 30.887 40.008 23.169 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.146 38.235 21.351 1.00 0.00 H new ATOM 0 HD22 LEU A 8 28.883 39.968 21.657 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.044 39.374 19.988 1.00 0.00 H new ATOM 147 N THR A 9 32.323 42.298 17.849 1.00 0.00 N ATOM 148 CA THR A 9 32.940 43.531 17.277 1.00 0.00 C ATOM 149 C THR A 9 32.149 43.983 16.049 1.00 0.00 C ATOM 150 O THR A 9 32.462 44.981 15.429 1.00 0.00 O ATOM 151 CB THR A 9 34.388 43.240 16.877 1.00 0.00 C ATOM 152 OG1 THR A 9 34.414 42.179 15.933 1.00 0.00 O ATOM 153 CG2 THR A 9 35.191 42.843 18.117 1.00 0.00 C ATOM 0 H THR A 9 32.770 41.422 17.579 1.00 0.00 H new ATOM 0 HA THR A 9 32.923 44.323 18.026 1.00 0.00 H new ATOM 0 HB THR A 9 34.828 44.132 16.432 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.341 41.993 15.675 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.222 42.636 17.832 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.171 43.659 18.840 1.00 0.00 H new ATOM 0 HG23 THR A 9 34.752 41.951 18.564 1.00 0.00 H new ATOM 161 N GLY A 10 31.120 43.261 15.693 1.00 0.00 N ATOM 162 CA GLY A 10 30.303 43.654 14.509 1.00 0.00 C ATOM 163 C GLY A 10 30.940 43.110 13.230 1.00 0.00 C ATOM 164 O GLY A 10 30.620 43.540 12.139 1.00 0.00 O ATOM 0 H GLY A 10 30.810 42.415 16.172 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.289 43.268 14.612 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.227 44.740 14.454 1.00 0.00 H new ATOM 168 N LYS A 11 31.837 42.166 13.346 1.00 0.00 N ATOM 169 CA LYS A 11 32.488 41.597 12.127 1.00 0.00 C ATOM 170 C LYS A 11 31.686 40.387 11.641 1.00 0.00 C ATOM 171 O LYS A 11 31.557 39.396 12.335 1.00 0.00 O ATOM 172 CB LYS A 11 33.916 41.151 12.472 1.00 0.00 C ATOM 173 CG LYS A 11 34.779 42.374 12.845 1.00 0.00 C ATOM 174 CD LYS A 11 35.392 43.011 11.580 1.00 0.00 C ATOM 175 CE LYS A 11 36.711 42.311 11.223 1.00 0.00 C ATOM 176 NZ LYS A 11 37.712 42.560 12.299 1.00 0.00 N ATOM 0 H LYS A 11 32.147 41.764 14.231 1.00 0.00 H new ATOM 0 HA LYS A 11 32.520 42.355 11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 11 33.894 40.445 13.302 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.358 40.630 11.622 1.00 0.00 H new ATOM 0 HG2 LYS A 11 34.170 43.109 13.371 1.00 0.00 H new ATOM 0 HG3 LYS A 11 35.573 42.071 13.528 1.00 0.00 H new ATOM 0 HD2 LYS A 11 34.692 42.932 10.748 1.00 0.00 H new ATOM 0 HD3 LYS A 11 35.569 44.073 11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 11 36.547 41.240 11.105 1.00 0.00 H new ATOM 0 HE3 LYS A 11 37.086 42.683 10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 38.667 42.578 11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 37.513 43.474 12.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 37.655 41.802 13.008 1.00 0.00 H new ATOM 190 N THR A 12 31.151 40.461 10.451 1.00 0.00 N ATOM 191 CA THR A 12 30.358 39.318 9.906 1.00 0.00 C ATOM 192 C THR A 12 31.275 38.423 9.073 1.00 0.00 C ATOM 193 O THR A 12 31.833 38.847 8.080 1.00 0.00 O ATOM 194 CB THR A 12 29.232 39.853 9.019 1.00 0.00 C ATOM 195 OG1 THR A 12 28.393 40.708 9.783 1.00 0.00 O ATOM 196 CG2 THR A 12 28.410 38.683 8.472 1.00 0.00 C ATOM 0 H THR A 12 31.229 41.267 9.830 1.00 0.00 H new ATOM 0 HA THR A 12 29.931 38.745 10.729 1.00 0.00 H new ATOM 0 HB THR A 12 29.660 40.413 8.188 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.673 41.052 9.215 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.608 39.066 7.840 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.054 38.029 7.884 1.00 0.00 H new ATOM 0 HG23 THR A 12 27.981 38.120 9.301 1.00 0.00 H new ATOM 204 N ILE A 13 31.429 37.183 9.468 1.00 0.00 N ATOM 205 CA ILE A 13 32.306 36.241 8.703 1.00 0.00 C ATOM 206 C ILE A 13 31.437 35.232 7.966 1.00 0.00 C ATOM 207 O ILE A 13 30.455 34.751 8.490 1.00 0.00 O ATOM 208 CB ILE A 13 33.222 35.496 9.671 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.859 36.500 10.631 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.314 34.773 8.875 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.929 35.801 11.467 1.00 0.00 C ATOM 0 H ILE A 13 30.983 36.780 10.292 1.00 0.00 H new ATOM 0 HA ILE A 13 32.907 36.804 7.989 1.00 0.00 H new ATOM 0 HB ILE A 13 32.648 34.766 10.241 1.00 0.00 H new ATOM 0 HG12 ILE A 13 34.301 37.324 10.071 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.098 36.930 11.282 1.00 0.00 H new ATOM 0 HG21 ILE A 13 34.971 34.239 9.561 1.00 0.00 H new ATOM 0 HG22 ILE A 13 33.854 34.063 8.187 1.00 0.00 H new ATOM 0 HG23 ILE A 13 34.895 35.502 8.309 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.382 36.518 12.151 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.473 34.992 12.039 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.696 35.393 10.809 1.00 0.00 H new ATOM 223 N THR A 14 31.788 34.911 6.746 1.00 0.00 N ATOM 224 CA THR A 14 30.982 33.928 5.951 1.00 0.00 C ATOM 225 C THR A 14 31.720 32.590 5.881 1.00 0.00 C ATOM 226 O THR A 14 32.888 32.524 5.553 1.00 0.00 O ATOM 227 CB THR A 14 30.769 34.467 4.532 1.00 0.00 C ATOM 228 OG1 THR A 14 30.375 33.403 3.679 1.00 0.00 O ATOM 229 CG2 THR A 14 32.066 35.086 4.009 1.00 0.00 C ATOM 0 H THR A 14 32.603 35.289 6.262 1.00 0.00 H new ATOM 0 HA THR A 14 30.016 33.783 6.435 1.00 0.00 H new ATOM 0 HB THR A 14 29.991 35.230 4.551 1.00 0.00 H new ATOM 0 HG1 THR A 14 30.237 33.746 2.771 1.00 0.00 H new ATOM 0 HG21 THR A 14 31.907 35.467 3.000 1.00 0.00 H new ATOM 0 HG22 THR A 14 32.368 35.905 4.662 1.00 0.00 H new ATOM 0 HG23 THR A 14 32.849 34.328 3.991 1.00 0.00 H new ATOM 237 N LEU A 15 31.042 31.522 6.209 1.00 0.00 N ATOM 238 CA LEU A 15 31.680 30.167 6.182 1.00 0.00 C ATOM 239 C LEU A 15 30.789 29.194 5.408 1.00 0.00 C ATOM 240 O LEU A 15 29.577 29.305 5.410 1.00 0.00 O ATOM 241 CB LEU A 15 31.831 29.646 7.618 1.00 0.00 C ATOM 242 CG LEU A 15 32.829 30.517 8.406 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.586 30.338 9.908 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.273 30.101 8.087 1.00 0.00 C ATOM 0 H LEU A 15 30.064 31.528 6.498 1.00 0.00 H new ATOM 0 HA LEU A 15 32.656 30.243 5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.862 29.651 8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.176 28.612 7.602 1.00 0.00 H new ATOM 0 HG LEU A 15 32.683 31.559 8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.291 30.953 10.467 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.568 30.642 10.151 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.726 29.291 10.177 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.965 30.726 8.652 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.420 29.057 8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.460 30.225 7.020 1.00 0.00 H new ATOM 256 N GLU A 16 31.387 28.217 4.778 1.00 0.00 N ATOM 257 CA GLU A 16 30.602 27.191 4.024 1.00 0.00 C ATOM 258 C GLU A 16 30.643 25.899 4.837 1.00 0.00 C ATOM 259 O GLU A 16 31.703 25.428 5.197 1.00 0.00 O ATOM 260 CB GLU A 16 31.236 26.959 2.650 1.00 0.00 C ATOM 261 CG GLU A 16 31.100 28.226 1.804 1.00 0.00 C ATOM 262 CD GLU A 16 31.494 27.920 0.357 1.00 0.00 C ATOM 263 OE1 GLU A 16 32.574 27.390 0.158 1.00 0.00 O ATOM 264 OE2 GLU A 16 30.708 28.220 -0.526 1.00 0.00 O ATOM 0 H GLU A 16 32.398 28.084 4.753 1.00 0.00 H new ATOM 0 HA GLU A 16 29.574 27.523 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.288 26.696 2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.750 26.121 2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.074 28.593 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.736 29.014 2.206 1.00 0.00 H new ATOM 271 N VAL A 17 29.508 25.321 5.142 1.00 0.00 N ATOM 272 CA VAL A 17 29.511 24.066 5.959 1.00 0.00 C ATOM 273 C VAL A 17 28.384 23.134 5.503 1.00 0.00 C ATOM 274 O VAL A 17 27.582 23.470 4.655 1.00 0.00 O ATOM 275 CB VAL A 17 29.331 24.425 7.451 1.00 0.00 C ATOM 276 CG1 VAL A 17 30.041 25.750 7.747 1.00 0.00 C ATOM 277 CG2 VAL A 17 27.839 24.564 7.804 1.00 0.00 C ATOM 0 H VAL A 17 28.587 25.659 4.864 1.00 0.00 H new ATOM 0 HA VAL A 17 30.462 23.552 5.823 1.00 0.00 H new ATOM 0 HB VAL A 17 29.762 23.625 8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.914 26.004 8.799 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.103 25.652 7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 17 29.611 26.539 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.737 24.817 8.859 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.393 25.352 7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.329 23.621 7.606 1.00 0.00 H new ATOM 287 N GLU A 18 28.328 21.966 6.085 1.00 0.00 N ATOM 288 CA GLU A 18 27.269 20.973 5.738 1.00 0.00 C ATOM 289 C GLU A 18 26.353 20.809 6.959 1.00 0.00 C ATOM 290 O GLU A 18 26.786 20.978 8.080 1.00 0.00 O ATOM 291 CB GLU A 18 27.944 19.634 5.417 1.00 0.00 C ATOM 292 CG GLU A 18 28.870 19.806 4.212 1.00 0.00 C ATOM 293 CD GLU A 18 28.037 20.085 2.961 1.00 0.00 C ATOM 294 OE1 GLU A 18 27.081 19.360 2.736 1.00 0.00 O ATOM 295 OE2 GLU A 18 28.369 21.017 2.247 1.00 0.00 O ATOM 0 H GLU A 18 28.984 21.652 6.800 1.00 0.00 H new ATOM 0 HA GLU A 18 26.688 21.304 4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.512 19.285 6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.190 18.876 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 18 29.565 20.627 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.469 18.906 4.069 1.00 0.00 H new ATOM 302 N PRO A 19 25.104 20.475 6.769 1.00 0.00 N ATOM 303 CA PRO A 19 24.157 20.286 7.909 1.00 0.00 C ATOM 304 C PRO A 19 24.597 19.113 8.788 1.00 0.00 C ATOM 305 O PRO A 19 24.410 19.110 9.989 1.00 0.00 O ATOM 306 CB PRO A 19 22.818 19.984 7.218 1.00 0.00 C ATOM 307 CG PRO A 19 23.212 19.433 5.893 1.00 0.00 C ATOM 308 CD PRO A 19 24.440 20.230 5.477 1.00 0.00 C ATOM 0 HA PRO A 19 24.105 21.152 8.570 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.227 19.267 7.789 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.212 20.884 7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.438 18.369 5.961 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.407 19.542 5.166 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.076 19.670 4.792 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.171 21.159 4.975 1.00 0.00 H new ATOM 316 N SER A 20 25.186 18.117 8.186 1.00 0.00 N ATOM 317 CA SER A 20 25.652 16.938 8.961 1.00 0.00 C ATOM 318 C SER A 20 27.050 17.219 9.513 1.00 0.00 C ATOM 319 O SER A 20 27.664 16.369 10.127 1.00 0.00 O ATOM 320 CB SER A 20 25.705 15.715 8.045 1.00 0.00 C ATOM 321 OG SER A 20 24.396 15.423 7.574 1.00 0.00 O ATOM 0 H SER A 20 25.365 18.071 7.183 1.00 0.00 H new ATOM 0 HA SER A 20 24.964 16.746 9.784 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.372 15.905 7.204 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.109 14.859 8.586 1.00 0.00 H new ATOM 0 HG SER A 20 24.427 14.640 6.985 1.00 0.00 H new ATOM 327 N ASP A 21 27.562 18.406 9.307 1.00 0.00 N ATOM 328 CA ASP A 21 28.923 18.713 9.835 1.00 0.00 C ATOM 329 C ASP A 21 28.888 18.659 11.366 1.00 0.00 C ATOM 330 O ASP A 21 27.875 18.943 11.984 1.00 0.00 O ATOM 331 CB ASP A 21 29.371 20.111 9.365 1.00 0.00 C ATOM 332 CG ASP A 21 30.902 20.189 9.349 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.529 19.278 9.866 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.421 21.159 8.821 1.00 0.00 O ATOM 0 H ASP A 21 27.103 19.165 8.803 1.00 0.00 H new ATOM 0 HA ASP A 21 29.635 17.978 9.459 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.977 20.313 8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 21 28.966 20.875 10.029 1.00 0.00 H new ATOM 339 N THR A 22 29.985 18.288 11.981 1.00 0.00 N ATOM 340 CA THR A 22 30.030 18.203 13.474 1.00 0.00 C ATOM 341 C THR A 22 30.630 19.487 14.045 1.00 0.00 C ATOM 342 O THR A 22 31.485 20.101 13.441 1.00 0.00 O ATOM 343 CB THR A 22 30.909 17.017 13.882 1.00 0.00 C ATOM 344 OG1 THR A 22 32.262 17.299 13.548 1.00 0.00 O ATOM 345 CG2 THR A 22 30.455 15.758 13.144 1.00 0.00 C ATOM 0 H THR A 22 30.855 18.039 11.510 1.00 0.00 H new ATOM 0 HA THR A 22 29.019 18.071 13.860 1.00 0.00 H new ATOM 0 HB THR A 22 30.821 16.854 14.956 1.00 0.00 H new ATOM 0 HG1 THR A 22 32.836 16.571 13.866 1.00 0.00 H new ATOM 0 HG21 THR A 22 31.084 14.917 13.438 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.417 15.541 13.398 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.540 15.916 12.069 1.00 0.00 H new ATOM 353 N ILE A 23 30.192 19.902 15.203 1.00 0.00 N ATOM 354 CA ILE A 23 30.747 21.150 15.801 1.00 0.00 C ATOM 355 C ILE A 23 32.276 21.057 15.834 1.00 0.00 C ATOM 356 O ILE A 23 32.971 22.007 15.541 1.00 0.00 O ATOM 357 CB ILE A 23 30.222 21.320 17.230 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.699 21.137 17.271 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.577 22.716 17.739 1.00 0.00 C ATOM 360 CD1 ILE A 23 28.036 22.010 16.205 1.00 0.00 C ATOM 0 H ILE A 23 29.477 19.433 15.759 1.00 0.00 H new ATOM 0 HA ILE A 23 30.439 22.005 15.199 1.00 0.00 H new ATOM 0 HB ILE A 23 30.684 20.563 17.864 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.446 20.090 17.104 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.319 21.403 18.258 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.204 22.838 18.756 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.660 22.841 17.732 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.121 23.466 17.093 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.955 21.873 16.243 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.275 23.057 16.392 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.404 21.724 15.220 1.00 0.00 H new ATOM 372 N GLU A 24 32.804 19.917 16.191 1.00 0.00 N ATOM 373 CA GLU A 24 34.286 19.759 16.247 1.00 0.00 C ATOM 374 C GLU A 24 34.883 19.989 14.860 1.00 0.00 C ATOM 375 O GLU A 24 35.868 20.681 14.700 1.00 0.00 O ATOM 376 CB GLU A 24 34.622 18.338 16.701 1.00 0.00 C ATOM 377 CG GLU A 24 36.100 18.259 17.085 1.00 0.00 C ATOM 378 CD GLU A 24 36.409 16.869 17.646 1.00 0.00 C ATOM 379 OE1 GLU A 24 35.484 16.216 18.100 1.00 0.00 O ATOM 380 OE2 GLU A 24 37.566 16.482 17.610 1.00 0.00 O ATOM 0 H GLU A 24 32.271 19.086 16.447 1.00 0.00 H new ATOM 0 HA GLU A 24 34.699 20.485 16.947 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.999 18.060 17.551 1.00 0.00 H new ATOM 0 HB3 GLU A 24 34.405 17.629 15.902 1.00 0.00 H new ATOM 0 HG2 GLU A 24 36.724 18.458 16.214 1.00 0.00 H new ATOM 0 HG3 GLU A 24 36.335 19.022 17.827 1.00 0.00 H new ATOM 387 N ASN A 25 34.284 19.415 13.857 1.00 0.00 N ATOM 388 CA ASN A 25 34.807 19.593 12.471 1.00 0.00 C ATOM 389 C ASN A 25 34.604 21.043 12.026 1.00 0.00 C ATOM 390 O ASN A 25 35.429 21.617 11.345 1.00 0.00 O ATOM 391 CB ASN A 25 34.054 18.659 11.517 1.00 0.00 C ATOM 392 CG ASN A 25 34.439 17.209 11.814 1.00 0.00 C ATOM 393 OD1 ASN A 25 35.298 16.958 12.766 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 33.957 16.296 11.176 1.00 0.00 N flip ATOM 0 H ASN A 25 33.453 18.829 13.935 1.00 0.00 H new ATOM 0 HA ASN A 25 35.870 19.354 12.454 1.00 0.00 H new ATOM 0 HB2 ASN A 25 32.979 18.792 11.634 1.00 0.00 H new ATOM 0 HB3 ASN A 25 34.295 18.906 10.483 1.00 0.00 H new ATOM 0 HD21 ASN A 25 33.286 16.492 10.433 1.00 0.00 H new ATOM 0 HD22 ASN A 25 34.223 15.333 11.383 1.00 0.00 H new ATOM 401 N VAL A 26 33.507 21.637 12.404 1.00 0.00 N ATOM 402 CA VAL A 26 33.244 23.044 11.998 1.00 0.00 C ATOM 403 C VAL A 26 34.195 23.987 12.740 1.00 0.00 C ATOM 404 O VAL A 26 34.589 25.014 12.220 1.00 0.00 O ATOM 405 CB VAL A 26 31.792 23.402 12.320 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.532 24.866 11.972 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.864 22.516 11.489 1.00 0.00 C ATOM 0 H VAL A 26 32.781 21.208 12.977 1.00 0.00 H new ATOM 0 HA VAL A 26 33.412 23.150 10.926 1.00 0.00 H new ATOM 0 HB VAL A 26 31.606 23.245 13.382 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.497 25.117 12.203 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.198 25.502 12.555 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.716 25.026 10.909 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.827 22.765 11.713 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.056 22.681 10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.046 21.469 11.732 1.00 0.00 H new ATOM 417 N LYS A 27 34.585 23.648 13.942 1.00 0.00 N ATOM 418 CA LYS A 27 35.523 24.527 14.696 1.00 0.00 C ATOM 419 C LYS A 27 36.887 24.438 14.025 1.00 0.00 C ATOM 420 O LYS A 27 37.638 25.393 13.966 1.00 0.00 O ATOM 421 CB LYS A 27 35.627 24.038 16.147 1.00 0.00 C ATOM 422 CG LYS A 27 34.417 24.523 16.949 1.00 0.00 C ATOM 423 CD LYS A 27 34.518 24.001 18.384 1.00 0.00 C ATOM 424 CE LYS A 27 33.498 24.725 19.267 1.00 0.00 C ATOM 425 NZ LYS A 27 33.945 26.128 19.494 1.00 0.00 N ATOM 0 H LYS A 27 34.294 22.802 14.432 1.00 0.00 H new ATOM 0 HA LYS A 27 35.167 25.557 14.697 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.677 22.949 16.170 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.547 24.409 16.600 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.379 25.612 16.948 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.495 24.171 16.486 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.334 22.927 18.405 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.525 24.160 18.769 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.518 24.717 18.790 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.393 24.207 20.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.494 26.501 20.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.978 26.149 19.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.675 26.715 18.679 1.00 0.00 H new ATOM 439 N ALA A 28 37.192 23.291 13.497 1.00 0.00 N ATOM 440 CA ALA A 28 38.484 23.102 12.798 1.00 0.00 C ATOM 441 C ALA A 28 38.519 24.027 11.580 1.00 0.00 C ATOM 442 O ALA A 28 39.509 24.676 11.303 1.00 0.00 O ATOM 443 CB ALA A 28 38.574 21.645 12.350 1.00 0.00 C ATOM 0 H ALA A 28 36.592 22.466 13.521 1.00 0.00 H new ATOM 0 HA ALA A 28 39.323 23.337 13.453 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.519 21.481 11.832 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.520 20.992 13.221 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.747 21.420 11.677 1.00 0.00 H new ATOM 449 N LYS A 29 37.432 24.087 10.859 1.00 0.00 N ATOM 450 CA LYS A 29 37.374 24.964 9.658 1.00 0.00 C ATOM 451 C LYS A 29 37.624 26.414 10.082 1.00 0.00 C ATOM 452 O LYS A 29 38.370 27.137 9.452 1.00 0.00 O ATOM 453 CB LYS A 29 35.990 24.863 9.016 1.00 0.00 C ATOM 454 CG LYS A 29 35.791 23.459 8.442 1.00 0.00 C ATOM 455 CD LYS A 29 34.385 23.351 7.847 1.00 0.00 C ATOM 456 CE LYS A 29 34.198 21.969 7.220 1.00 0.00 C ATOM 457 NZ LYS A 29 34.295 20.925 8.279 1.00 0.00 N ATOM 0 H LYS A 29 36.578 23.563 11.053 1.00 0.00 H new ATOM 0 HA LYS A 29 38.133 24.649 8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.219 25.077 9.756 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.889 25.607 8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.539 23.258 7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.926 22.711 9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 29 33.637 23.513 8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 29 34.237 24.126 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 29 33.229 21.911 6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.957 21.799 6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 33.518 20.243 8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 35.206 20.430 8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 34.229 21.373 9.215 1.00 0.00 H new ATOM 471 N ILE A 30 36.997 26.844 11.145 1.00 0.00 N ATOM 472 CA ILE A 30 37.189 28.245 11.610 1.00 0.00 C ATOM 473 C ILE A 30 38.638 28.447 12.050 1.00 0.00 C ATOM 474 O ILE A 30 39.237 29.467 11.788 1.00 0.00 O ATOM 475 CB ILE A 30 36.254 28.520 12.789 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.802 28.428 12.314 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.519 29.929 13.339 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.866 28.439 13.524 1.00 0.00 C ATOM 0 H ILE A 30 36.360 26.283 11.711 1.00 0.00 H new ATOM 0 HA ILE A 30 36.962 28.932 10.795 1.00 0.00 H new ATOM 0 HB ILE A 30 36.433 27.785 13.573 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.571 29.264 11.655 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.655 27.516 11.736 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.852 30.123 14.179 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.554 30.000 13.674 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.339 30.665 12.555 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.832 28.373 13.185 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.092 27.588 14.166 1.00 0.00 H new ATOM 0 HD13 ILE A 30 34.006 29.364 14.084 1.00 0.00 H new ATOM 490 N GLN A 31 39.201 27.485 12.726 1.00 0.00 N ATOM 491 CA GLN A 31 40.609 27.620 13.194 1.00 0.00 C ATOM 492 C GLN A 31 41.547 27.744 11.990 1.00 0.00 C ATOM 493 O GLN A 31 42.437 28.566 11.966 1.00 0.00 O ATOM 494 CB GLN A 31 40.988 26.374 14.001 1.00 0.00 C ATOM 495 CG GLN A 31 42.395 26.536 14.581 1.00 0.00 C ATOM 496 CD GLN A 31 42.757 25.290 15.393 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.498 24.180 14.971 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.348 25.427 16.549 1.00 0.00 N ATOM 0 H GLN A 31 38.745 26.607 12.976 1.00 0.00 H new ATOM 0 HA GLN A 31 40.701 28.511 13.815 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.269 26.219 14.806 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.948 25.491 13.363 1.00 0.00 H new ATOM 0 HG2 GLN A 31 43.117 26.682 13.777 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.439 27.422 15.214 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.565 26.358 16.903 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.592 24.603 17.098 1.00 0.00 H new ATOM 507 N ASP A 32 41.362 26.920 11.000 1.00 0.00 N ATOM 508 CA ASP A 32 42.252 26.965 9.805 1.00 0.00 C ATOM 509 C ASP A 32 42.128 28.306 9.068 1.00 0.00 C ATOM 510 O ASP A 32 43.087 28.801 8.511 1.00 0.00 O ATOM 511 CB ASP A 32 41.867 25.831 8.852 1.00 0.00 C ATOM 512 CG ASP A 32 42.945 25.677 7.778 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.006 26.523 6.901 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.691 24.714 7.849 1.00 0.00 O ATOM 0 H ASP A 32 40.629 26.212 10.965 1.00 0.00 H new ATOM 0 HA ASP A 32 43.283 26.851 10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.755 24.899 9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.904 26.043 8.388 1.00 0.00 H new ATOM 519 N LYS A 33 40.955 28.883 9.024 1.00 0.00 N ATOM 520 CA LYS A 33 40.784 30.171 8.281 1.00 0.00 C ATOM 521 C LYS A 33 41.053 31.384 9.184 1.00 0.00 C ATOM 522 O LYS A 33 41.709 32.324 8.782 1.00 0.00 O ATOM 523 CB LYS A 33 39.352 30.247 7.749 1.00 0.00 C ATOM 524 CG LYS A 33 39.061 29.005 6.902 1.00 0.00 C ATOM 525 CD LYS A 33 37.579 28.978 6.509 1.00 0.00 C ATOM 526 CE LYS A 33 37.240 30.201 5.649 1.00 0.00 C ATOM 527 NZ LYS A 33 35.998 29.927 4.872 1.00 0.00 N ATOM 0 H LYS A 33 40.111 28.521 9.468 1.00 0.00 H new ATOM 0 HA LYS A 33 41.503 30.194 7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.647 30.310 8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 33 39.221 31.148 7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.684 29.010 6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.314 28.105 7.462 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.357 28.064 5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.957 28.970 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.101 31.078 6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.065 30.424 4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 36.218 29.925 3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 35.615 28.999 5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 35.293 30.665 5.072 1.00 0.00 H new ATOM 541 N GLU A 34 40.545 31.390 10.388 1.00 0.00 N ATOM 542 CA GLU A 34 40.769 32.566 11.286 1.00 0.00 C ATOM 543 C GLU A 34 42.077 32.391 12.065 1.00 0.00 C ATOM 544 O GLU A 34 42.720 33.351 12.435 1.00 0.00 O ATOM 545 CB GLU A 34 39.593 32.693 12.258 1.00 0.00 C ATOM 546 CG GLU A 34 38.372 33.230 11.504 1.00 0.00 C ATOM 547 CD GLU A 34 37.182 33.344 12.458 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.396 33.721 13.599 1.00 0.00 O ATOM 549 OE2 GLU A 34 36.076 33.056 12.030 1.00 0.00 O ATOM 0 H GLU A 34 39.987 30.636 10.789 1.00 0.00 H new ATOM 0 HA GLU A 34 40.840 33.472 10.684 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.365 31.723 12.700 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.853 33.363 13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 34 38.599 34.205 11.073 1.00 0.00 H new ATOM 0 HG3 GLU A 34 38.124 32.566 10.676 1.00 0.00 H new ATOM 556 N GLY A 35 42.487 31.175 12.291 1.00 0.00 N ATOM 557 CA GLY A 35 43.770 30.944 13.018 1.00 0.00 C ATOM 558 C GLY A 35 43.583 31.110 14.531 1.00 0.00 C ATOM 559 O GLY A 35 44.520 30.969 15.293 1.00 0.00 O ATOM 0 H GLY A 35 41.991 30.331 12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 35 44.139 29.941 12.802 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.525 31.645 12.662 1.00 0.00 H new ATOM 563 N ILE A 36 42.393 31.412 14.984 1.00 0.00 N ATOM 564 CA ILE A 36 42.180 31.582 16.457 1.00 0.00 C ATOM 565 C ILE A 36 41.766 30.229 17.073 1.00 0.00 C ATOM 566 O ILE A 36 40.746 29.682 16.703 1.00 0.00 O ATOM 567 CB ILE A 36 41.062 32.601 16.692 1.00 0.00 C ATOM 568 CG1 ILE A 36 41.335 33.861 15.865 1.00 0.00 C ATOM 569 CG2 ILE A 36 41.021 32.971 18.177 1.00 0.00 C ATOM 570 CD1 ILE A 36 40.191 34.859 16.059 1.00 0.00 C ATOM 0 H ILE A 36 41.564 31.548 14.405 1.00 0.00 H new ATOM 0 HA ILE A 36 43.102 31.932 16.921 1.00 0.00 H new ATOM 0 HB ILE A 36 40.107 32.169 16.392 1.00 0.00 H new ATOM 0 HG12 ILE A 36 42.280 34.311 16.170 1.00 0.00 H new ATOM 0 HG13 ILE A 36 41.431 33.603 14.810 1.00 0.00 H new ATOM 0 HG21 ILE A 36 40.226 33.697 18.349 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.830 32.076 18.770 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.977 33.404 18.471 1.00 0.00 H new ATOM 0 HD11 ILE A 36 40.386 35.755 15.470 1.00 0.00 H new ATOM 0 HD12 ILE A 36 39.255 34.407 15.732 1.00 0.00 H new ATOM 0 HD13 ILE A 36 40.116 35.127 17.113 1.00 0.00 H new ATOM 582 N PRO A 37 42.527 29.675 18.005 1.00 0.00 N ATOM 583 CA PRO A 37 42.169 28.365 18.637 1.00 0.00 C ATOM 584 C PRO A 37 40.700 28.323 19.107 1.00 0.00 C ATOM 585 O PRO A 37 40.132 29.334 19.477 1.00 0.00 O ATOM 586 CB PRO A 37 43.118 28.268 19.839 1.00 0.00 C ATOM 587 CG PRO A 37 44.315 29.074 19.451 1.00 0.00 C ATOM 588 CD PRO A 37 43.799 30.202 18.549 1.00 0.00 C ATOM 0 HA PRO A 37 42.269 27.538 17.934 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.653 28.662 20.742 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.389 27.233 20.046 1.00 0.00 H new ATOM 0 HG2 PRO A 37 44.814 29.478 20.332 1.00 0.00 H new ATOM 0 HG3 PRO A 37 45.045 28.458 18.925 1.00 0.00 H new ATOM 0 HD2 PRO A 37 43.641 31.122 19.112 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.508 30.432 17.754 1.00 0.00 H new ATOM 596 N PRO A 38 40.087 27.163 19.100 1.00 0.00 N ATOM 597 CA PRO A 38 38.664 27.005 19.527 1.00 0.00 C ATOM 598 C PRO A 38 38.481 27.198 21.035 1.00 0.00 C ATOM 599 O PRO A 38 37.406 27.515 21.501 1.00 0.00 O ATOM 600 CB PRO A 38 38.326 25.571 19.110 1.00 0.00 C ATOM 601 CG PRO A 38 39.629 24.869 19.199 1.00 0.00 C ATOM 602 CD PRO A 38 40.664 25.870 18.698 1.00 0.00 C ATOM 0 HA PRO A 38 38.014 27.753 19.074 1.00 0.00 H new ATOM 0 HB2 PRO A 38 37.584 25.125 19.772 1.00 0.00 H new ATOM 0 HB3 PRO A 38 37.917 25.532 18.100 1.00 0.00 H new ATOM 0 HG2 PRO A 38 39.842 24.564 20.224 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.630 23.965 18.590 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.641 25.704 19.153 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.800 25.806 17.618 1.00 0.00 H new ATOM 610 N ASP A 39 39.519 27.011 21.803 1.00 0.00 N ATOM 611 CA ASP A 39 39.390 27.185 23.275 1.00 0.00 C ATOM 612 C ASP A 39 39.316 28.674 23.616 1.00 0.00 C ATOM 613 O ASP A 39 39.099 29.043 24.754 1.00 0.00 O ATOM 614 CB ASP A 39 40.609 26.569 23.967 1.00 0.00 C ATOM 615 CG ASP A 39 40.360 26.496 25.475 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.408 25.844 25.866 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.127 27.093 26.212 1.00 0.00 O ATOM 0 H ASP A 39 40.448 26.746 21.475 1.00 0.00 H new ATOM 0 HA ASP A 39 38.481 26.690 23.617 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.799 25.572 23.571 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.497 27.168 23.763 1.00 0.00 H new ATOM 622 N GLN A 40 39.493 29.538 22.645 1.00 0.00 N ATOM 623 CA GLN A 40 39.432 31.005 22.928 1.00 0.00 C ATOM 624 C GLN A 40 38.048 31.545 22.568 1.00 0.00 C ATOM 625 O GLN A 40 37.764 32.709 22.766 1.00 0.00 O ATOM 626 CB GLN A 40 40.480 31.729 22.084 1.00 0.00 C ATOM 627 CG GLN A 40 41.877 31.258 22.490 1.00 0.00 C ATOM 628 CD GLN A 40 42.186 31.738 23.909 1.00 0.00 C ATOM 629 OE1 GLN A 40 42.056 30.991 24.858 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.595 32.964 24.094 1.00 0.00 N ATOM 0 H GLN A 40 39.676 29.291 21.673 1.00 0.00 H new ATOM 0 HA GLN A 40 39.626 31.172 23.988 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.311 31.530 21.026 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.393 32.807 22.223 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.934 30.171 22.442 1.00 0.00 H new ATOM 0 HG3 GLN A 40 42.620 31.647 21.794 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.704 33.591 23.297 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.805 33.295 25.036 1.00 0.00 H new ATOM 639 N GLN A 41 37.190 30.724 22.009 1.00 0.00 N ATOM 640 CA GLN A 41 35.834 31.217 21.611 1.00 0.00 C ATOM 641 C GLN A 41 34.752 30.181 21.920 1.00 0.00 C ATOM 642 O GLN A 41 34.999 28.992 21.972 1.00 0.00 O ATOM 643 CB GLN A 41 35.830 31.477 20.104 1.00 0.00 C ATOM 644 CG GLN A 41 36.311 30.219 19.370 1.00 0.00 C ATOM 645 CD GLN A 41 36.295 30.468 17.860 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.275 30.307 17.215 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.389 30.854 17.266 1.00 0.00 N ATOM 0 H GLN A 41 37.369 29.739 21.812 1.00 0.00 H new ATOM 0 HA GLN A 41 35.621 32.126 22.173 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.827 31.744 19.772 1.00 0.00 H new ATOM 0 HB3 GLN A 41 36.479 32.320 19.867 1.00 0.00 H new ATOM 0 HG2 GLN A 41 37.318 29.959 19.695 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.668 29.374 19.616 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.243 30.989 17.807 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.391 31.022 16.260 1.00 0.00 H new ATOM 656 N ARG A 42 33.539 30.640 22.084 1.00 0.00 N ATOM 657 CA ARG A 42 32.386 29.731 22.345 1.00 0.00 C ATOM 658 C ARG A 42 31.296 30.062 21.332 1.00 0.00 C ATOM 659 O ARG A 42 30.982 31.215 21.109 1.00 0.00 O ATOM 660 CB ARG A 42 31.831 29.982 23.725 1.00 0.00 C ATOM 661 CG ARG A 42 32.768 29.454 24.800 1.00 0.00 C ATOM 662 CD ARG A 42 32.214 29.936 26.160 1.00 0.00 C ATOM 663 NE ARG A 42 32.438 28.934 27.278 1.00 0.00 N ATOM 664 CZ ARG A 42 31.507 28.739 28.186 1.00 0.00 C ATOM 665 NH1 ARG A 42 31.814 28.169 29.316 1.00 0.00 N ATOM 666 NH2 ARG A 42 30.250 29.018 27.933 1.00 0.00 N ATOM 0 H ARG A 42 33.295 31.630 22.047 1.00 0.00 H new ATOM 0 HA ARG A 42 32.710 28.693 22.266 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.675 31.051 23.868 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.857 29.502 23.821 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.817 28.366 24.768 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.781 29.824 24.644 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.688 30.881 26.425 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.146 30.132 26.063 1.00 0.00 H new ATOM 0 HE ARG A 42 33.312 28.411 27.325 1.00 0.00 H new ATOM 0 HH11 ARG A 42 32.774 27.875 29.495 1.00 0.00 H new ATOM 0 HH12 ARG A 42 31.094 28.016 30.022 1.00 0.00 H new ATOM 0 HH21 ARG A 42 29.984 29.391 27.022 1.00 0.00 H new ATOM 0 HH22 ARG A 42 29.539 28.861 28.647 1.00 0.00 H new ATOM 680 N LEU A 43 30.720 29.080 20.708 1.00 0.00 N ATOM 681 CA LEU A 43 29.659 29.355 19.701 1.00 0.00 C ATOM 682 C LEU A 43 28.279 29.210 20.349 1.00 0.00 C ATOM 683 O LEU A 43 27.943 28.174 20.892 1.00 0.00 O ATOM 684 CB LEU A 43 29.800 28.345 18.569 1.00 0.00 C ATOM 685 CG LEU A 43 31.264 28.288 18.119 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.405 27.286 16.970 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.716 29.680 17.652 1.00 0.00 C ATOM 0 H LEU A 43 30.937 28.094 20.850 1.00 0.00 H new ATOM 0 HA LEU A 43 29.762 30.370 19.317 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.472 27.360 18.902 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.161 28.628 17.732 1.00 0.00 H new ATOM 0 HG LEU A 43 31.888 27.971 18.954 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.446 27.245 16.649 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.090 26.299 17.308 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.780 27.600 16.134 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.757 29.636 17.333 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.094 30.004 16.818 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.618 30.389 18.474 1.00 0.00 H new ATOM 699 N ILE A 44 27.477 30.242 20.281 1.00 0.00 N ATOM 700 CA ILE A 44 26.101 30.191 20.872 1.00 0.00 C ATOM 701 C ILE A 44 25.078 30.245 19.733 1.00 0.00 C ATOM 702 O ILE A 44 25.229 30.992 18.784 1.00 0.00 O ATOM 703 CB ILE A 44 25.888 31.397 21.803 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.723 31.221 23.080 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.407 31.503 22.192 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.227 31.322 22.773 1.00 0.00 C ATOM 0 H ILE A 44 27.718 31.128 19.837 1.00 0.00 H new ATOM 0 HA ILE A 44 25.980 29.272 21.446 1.00 0.00 H new ATOM 0 HB ILE A 44 26.197 32.302 21.280 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.445 31.983 23.809 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.504 30.253 23.531 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.264 32.359 22.851 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.803 31.632 21.294 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.100 30.593 22.708 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.796 31.194 23.694 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.506 30.544 22.063 1.00 0.00 H new ATOM 0 HD13 ILE A 44 28.446 32.300 22.344 1.00 0.00 H new ATOM 718 N PHE A 45 24.033 29.464 19.817 1.00 0.00 N ATOM 719 CA PHE A 45 22.998 29.477 18.740 1.00 0.00 C ATOM 720 C PHE A 45 21.632 29.191 19.358 1.00 0.00 C ATOM 721 O PHE A 45 21.490 28.335 20.209 1.00 0.00 O ATOM 722 CB PHE A 45 23.317 28.403 17.702 1.00 0.00 C ATOM 723 CG PHE A 45 22.233 28.393 16.646 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.180 29.412 15.688 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.278 27.367 16.630 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.177 29.404 14.711 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.275 27.361 15.652 1.00 0.00 C ATOM 728 CZ PHE A 45 20.224 28.380 14.694 1.00 0.00 C ATOM 0 H PHE A 45 23.851 28.818 20.585 1.00 0.00 H new ATOM 0 HA PHE A 45 22.991 30.453 18.255 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.286 28.600 17.243 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.384 27.426 18.181 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.913 30.205 15.702 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.315 26.582 17.371 1.00 0.00 H new ATOM 0 HE1 PHE A 45 21.139 30.189 13.970 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.540 26.569 15.637 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.449 28.376 13.942 1.00 0.00 H new ATOM 738 N ALA A 46 20.625 29.904 18.941 1.00 0.00 N ATOM 739 CA ALA A 46 19.268 29.673 19.509 1.00 0.00 C ATOM 740 C ALA A 46 19.350 29.677 21.037 1.00 0.00 C ATOM 741 O ALA A 46 18.413 29.312 21.718 1.00 0.00 O ATOM 742 CB ALA A 46 18.733 28.324 19.029 1.00 0.00 C ATOM 0 H ALA A 46 20.682 30.636 18.233 1.00 0.00 H new ATOM 0 HA ALA A 46 18.596 30.465 19.178 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.740 28.157 19.446 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.675 28.322 17.941 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.403 27.529 19.358 1.00 0.00 H new ATOM 748 N GLY A 47 20.465 30.091 21.585 1.00 0.00 N ATOM 749 CA GLY A 47 20.605 30.128 23.071 1.00 0.00 C ATOM 750 C GLY A 47 21.221 28.822 23.582 1.00 0.00 C ATOM 751 O GLY A 47 21.051 28.468 24.732 1.00 0.00 O ATOM 0 H GLY A 47 21.285 30.405 21.066 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.231 30.971 23.363 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.629 30.281 23.531 1.00 0.00 H new ATOM 755 N LYS A 48 21.955 28.110 22.752 1.00 0.00 N ATOM 756 CA LYS A 48 22.602 26.833 23.210 1.00 0.00 C ATOM 757 C LYS A 48 24.080 26.867 22.875 1.00 0.00 C ATOM 758 O LYS A 48 24.500 27.416 21.877 1.00 0.00 O ATOM 759 CB LYS A 48 21.983 25.598 22.513 1.00 0.00 C ATOM 760 CG LYS A 48 20.655 25.203 23.187 1.00 0.00 C ATOM 761 CD LYS A 48 19.488 25.968 22.551 1.00 0.00 C ATOM 762 CE LYS A 48 18.204 25.685 23.331 1.00 0.00 C ATOM 763 NZ LYS A 48 18.348 26.191 24.725 1.00 0.00 N ATOM 0 H LYS A 48 22.133 28.358 21.779 1.00 0.00 H new ATOM 0 HA LYS A 48 22.443 26.752 24.285 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.811 25.817 21.459 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.681 24.762 22.555 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.493 24.130 23.086 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.702 25.420 24.254 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.698 27.038 22.552 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.367 25.668 21.510 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.356 26.167 22.844 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.000 24.614 23.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.407 26.379 25.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.835 25.478 25.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.903 27.070 24.720 1.00 0.00 H new ATOM 777 N GLN A 49 24.867 26.252 23.704 1.00 0.00 N ATOM 778 CA GLN A 49 26.327 26.198 23.450 1.00 0.00 C ATOM 779 C GLN A 49 26.618 24.952 22.628 1.00 0.00 C ATOM 780 O GLN A 49 26.473 23.838 23.091 1.00 0.00 O ATOM 781 CB GLN A 49 27.083 26.127 24.764 1.00 0.00 C ATOM 782 CG GLN A 49 26.586 27.237 25.687 1.00 0.00 C ATOM 783 CD GLN A 49 27.356 27.194 27.009 1.00 0.00 C ATOM 784 OE1 GLN A 49 27.441 28.186 27.707 1.00 0.00 O ATOM 785 NE2 GLN A 49 27.921 26.080 27.387 1.00 0.00 N ATOM 0 H GLN A 49 24.559 25.780 24.554 1.00 0.00 H new ATOM 0 HA GLN A 49 26.645 27.093 22.915 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.933 25.154 25.232 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.153 26.235 24.588 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.720 28.207 25.209 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.519 27.118 25.873 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.850 25.248 26.802 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.434 26.042 28.268 1.00 0.00 H new ATOM 794 N LEU A 50 27.008 25.132 21.411 1.00 0.00 N ATOM 795 CA LEU A 50 27.292 23.959 20.540 1.00 0.00 C ATOM 796 C LEU A 50 28.241 23.006 21.270 1.00 0.00 C ATOM 797 O LEU A 50 29.357 23.358 21.591 1.00 0.00 O ATOM 798 CB LEU A 50 27.928 24.448 19.233 1.00 0.00 C ATOM 799 CG LEU A 50 27.133 25.642 18.685 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.601 25.965 17.263 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.638 25.301 18.652 1.00 0.00 C ATOM 0 H LEU A 50 27.145 26.042 20.972 1.00 0.00 H new ATOM 0 HA LEU A 50 26.368 23.429 20.310 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.964 24.738 19.408 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.942 23.641 18.500 1.00 0.00 H new ATOM 0 HG LEU A 50 27.298 26.503 19.332 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.035 26.813 16.877 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.662 26.214 17.277 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.440 25.099 16.621 1.00 0.00 H new ATOM 0 HD21 LEU A 50 25.079 26.152 18.262 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.476 24.436 18.009 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.295 25.073 19.661 1.00 0.00 H new ATOM 813 N GLU A 51 27.809 21.795 21.532 1.00 0.00 N ATOM 814 CA GLU A 51 28.698 20.821 22.241 1.00 0.00 C ATOM 815 C GLU A 51 29.417 19.959 21.208 1.00 0.00 C ATOM 816 O GLU A 51 28.868 19.585 20.183 1.00 0.00 O ATOM 817 CB GLU A 51 27.879 19.918 23.168 1.00 0.00 C ATOM 818 CG GLU A 51 26.925 20.767 24.013 1.00 0.00 C ATOM 819 CD GLU A 51 26.004 19.851 24.821 1.00 0.00 C ATOM 820 OE1 GLU A 51 24.979 19.456 24.288 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.336 19.564 25.958 1.00 0.00 O ATOM 0 H GLU A 51 26.884 21.441 21.287 1.00 0.00 H new ATOM 0 HA GLU A 51 29.420 21.375 22.840 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.313 19.196 22.580 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.545 19.349 23.817 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.493 21.412 24.684 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.334 21.418 23.369 1.00 0.00 H new ATOM 828 N ASP A 52 30.648 19.641 21.474 1.00 0.00 N ATOM 829 CA ASP A 52 31.426 18.812 20.525 1.00 0.00 C ATOM 830 C ASP A 52 30.731 17.468 20.314 1.00 0.00 C ATOM 831 O ASP A 52 30.270 16.839 21.251 1.00 0.00 O ATOM 832 CB ASP A 52 32.820 18.583 21.105 1.00 0.00 C ATOM 833 CG ASP A 52 33.504 19.933 21.327 1.00 0.00 C ATOM 834 OD1 ASP A 52 33.536 20.721 20.397 1.00 0.00 O ATOM 835 OD2 ASP A 52 33.980 20.160 22.429 1.00 0.00 O ATOM 0 H ASP A 52 31.151 19.923 22.315 1.00 0.00 H new ATOM 0 HA ASP A 52 31.499 19.323 19.565 1.00 0.00 H new ATOM 0 HB2 ASP A 52 32.749 18.039 22.047 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.412 17.970 20.426 1.00 0.00 H new ATOM 840 N GLY A 53 30.677 17.012 19.084 1.00 0.00 N ATOM 841 CA GLY A 53 30.042 15.688 18.783 1.00 0.00 C ATOM 842 C GLY A 53 28.625 15.838 18.204 1.00 0.00 C ATOM 843 O GLY A 53 28.074 14.877 17.705 1.00 0.00 O ATOM 0 H GLY A 53 31.048 17.503 18.271 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.665 15.141 18.075 1.00 0.00 H new ATOM 0 HA3 GLY A 53 29.998 15.093 19.695 1.00 0.00 H new ATOM 847 N ARG A 54 28.007 17.004 18.266 1.00 0.00 N ATOM 848 CA ARG A 54 26.615 17.133 17.719 1.00 0.00 C ATOM 849 C ARG A 54 26.652 17.685 16.303 1.00 0.00 C ATOM 850 O ARG A 54 27.590 18.343 15.896 1.00 0.00 O ATOM 851 CB ARG A 54 25.801 18.022 18.685 1.00 0.00 C ATOM 852 CG ARG A 54 25.924 17.317 20.034 1.00 0.00 C ATOM 853 CD ARG A 54 25.040 17.871 21.152 1.00 0.00 C ATOM 854 NE ARG A 54 25.173 16.805 22.180 1.00 0.00 N ATOM 855 CZ ARG A 54 24.119 16.272 22.688 1.00 0.00 C ATOM 856 NH1 ARG A 54 24.054 14.980 22.784 1.00 0.00 N ATOM 857 NH2 ARG A 54 23.248 17.028 23.301 1.00 0.00 N ATOM 0 H ARG A 54 28.401 17.856 18.665 1.00 0.00 H new ATOM 0 HA ARG A 54 26.130 16.159 17.652 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.201 19.035 18.727 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.760 18.103 18.371 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.686 16.262 19.896 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.964 17.369 20.358 1.00 0.00 H new ATOM 0 HD2 ARG A 54 25.391 18.838 21.514 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.007 18.007 20.831 1.00 0.00 H new ATOM 0 HE ARG A 54 26.098 16.497 22.481 1.00 0.00 H new ATOM 0 HH11 ARG A 54 24.831 14.405 22.459 1.00 0.00 H new ATOM 0 HH12 ARG A 54 23.226 14.539 23.184 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.407 18.033 23.374 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.409 16.613 23.707 1.00 0.00 H new ATOM 871 N THR A 55 25.648 17.394 15.527 1.00 0.00 N ATOM 872 CA THR A 55 25.615 17.871 14.118 1.00 0.00 C ATOM 873 C THR A 55 24.740 19.110 14.035 1.00 0.00 C ATOM 874 O THR A 55 23.837 19.300 14.822 1.00 0.00 O ATOM 875 CB THR A 55 25.032 16.762 13.245 1.00 0.00 C ATOM 876 OG1 THR A 55 23.837 16.273 13.840 1.00 0.00 O ATOM 877 CG2 THR A 55 26.046 15.621 13.130 1.00 0.00 C ATOM 0 H THR A 55 24.840 16.840 15.812 1.00 0.00 H new ATOM 0 HA THR A 55 26.619 18.119 13.774 1.00 0.00 H new ATOM 0 HB THR A 55 24.811 17.156 12.253 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.460 15.562 13.281 1.00 0.00 H new ATOM 0 HG21 THR A 55 25.632 14.828 12.507 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.965 15.995 12.678 1.00 0.00 H new ATOM 0 HG23 THR A 55 26.264 15.227 14.122 1.00 0.00 H new ATOM 885 N LEU A 56 25.005 19.961 13.092 1.00 0.00 N ATOM 886 CA LEU A 56 24.189 21.201 12.968 1.00 0.00 C ATOM 887 C LEU A 56 22.704 20.823 12.843 1.00 0.00 C ATOM 888 O LEU A 56 21.839 21.495 13.367 1.00 0.00 O ATOM 889 CB LEU A 56 24.644 21.987 11.726 1.00 0.00 C ATOM 890 CG LEU A 56 25.771 22.958 12.097 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.002 22.175 12.562 1.00 0.00 C ATOM 892 CD2 LEU A 56 26.136 23.796 10.873 1.00 0.00 C ATOM 0 H LEU A 56 25.748 19.856 12.401 1.00 0.00 H new ATOM 0 HA LEU A 56 24.323 21.824 13.852 1.00 0.00 H new ATOM 0 HB2 LEU A 56 24.988 21.297 10.956 1.00 0.00 H new ATOM 0 HB3 LEU A 56 23.802 22.538 11.307 1.00 0.00 H new ATOM 0 HG LEU A 56 25.435 23.609 12.904 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.799 22.871 12.824 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.743 21.575 13.434 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.342 21.521 11.759 1.00 0.00 H new ATOM 0 HD21 LEU A 56 26.937 24.488 11.132 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.469 23.140 10.069 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.263 24.359 10.544 1.00 0.00 H new ATOM 904 N SER A 57 22.399 19.761 12.149 1.00 0.00 N ATOM 905 CA SER A 57 20.971 19.357 11.994 1.00 0.00 C ATOM 906 C SER A 57 20.352 19.105 13.373 1.00 0.00 C ATOM 907 O SER A 57 19.150 19.138 13.539 1.00 0.00 O ATOM 908 CB SER A 57 20.893 18.077 11.161 1.00 0.00 C ATOM 909 OG SER A 57 21.440 18.321 9.871 1.00 0.00 O ATOM 0 H SER A 57 23.075 19.156 11.683 1.00 0.00 H new ATOM 0 HA SER A 57 20.423 20.155 11.493 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.441 17.274 11.655 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.857 17.749 11.073 1.00 0.00 H new ATOM 0 HG SER A 57 22.405 18.476 9.949 1.00 0.00 H new ATOM 915 N ASP A 58 21.164 18.846 14.360 1.00 0.00 N ATOM 916 CA ASP A 58 20.617 18.583 15.720 1.00 0.00 C ATOM 917 C ASP A 58 20.063 19.882 16.309 1.00 0.00 C ATOM 918 O ASP A 58 19.313 19.868 17.265 1.00 0.00 O ATOM 919 CB ASP A 58 21.723 18.041 16.625 1.00 0.00 C ATOM 920 CG ASP A 58 22.272 16.739 16.035 1.00 0.00 C ATOM 921 OD1 ASP A 58 21.631 16.196 15.151 1.00 0.00 O ATOM 922 OD2 ASP A 58 23.324 16.308 16.479 1.00 0.00 O ATOM 0 H ASP A 58 22.180 18.805 14.284 1.00 0.00 H new ATOM 0 HA ASP A 58 19.817 17.846 15.650 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.523 18.776 16.720 1.00 0.00 H new ATOM 0 HB3 ASP A 58 21.333 17.863 17.627 1.00 0.00 H new ATOM 927 N TYR A 59 20.437 21.007 15.750 1.00 0.00 N ATOM 928 CA TYR A 59 19.951 22.323 16.273 1.00 0.00 C ATOM 929 C TYR A 59 18.890 22.912 15.332 1.00 0.00 C ATOM 930 O TYR A 59 18.499 24.053 15.478 1.00 0.00 O ATOM 931 CB TYR A 59 21.145 23.289 16.365 1.00 0.00 C ATOM 932 CG TYR A 59 21.875 23.085 17.674 1.00 0.00 C ATOM 933 CD1 TYR A 59 23.173 22.558 17.689 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.251 23.441 18.875 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.842 22.386 18.909 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.920 23.266 20.090 1.00 0.00 C ATOM 937 CZ TYR A 59 23.214 22.740 20.108 1.00 0.00 C ATOM 938 OH TYR A 59 23.875 22.572 21.308 1.00 0.00 O ATOM 0 H TYR A 59 21.063 21.071 14.947 1.00 0.00 H new ATOM 0 HA TYR A 59 19.504 22.179 17.257 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.825 23.121 15.530 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.797 24.319 16.290 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.657 22.285 16.763 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.252 23.851 18.863 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.843 21.980 18.923 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.436 23.538 21.016 1.00 0.00 H new ATOM 0 HH TYR A 59 24.765 22.198 21.141 1.00 0.00 H new ATOM 948 N ASN A 60 18.423 22.164 14.372 1.00 0.00 N ATOM 949 CA ASN A 60 17.395 22.721 13.446 1.00 0.00 C ATOM 950 C ASN A 60 17.896 24.052 12.878 1.00 0.00 C ATOM 951 O ASN A 60 17.191 25.041 12.866 1.00 0.00 O ATOM 952 CB ASN A 60 16.090 22.951 14.212 1.00 0.00 C ATOM 953 CG ASN A 60 14.960 23.240 13.223 1.00 0.00 C ATOM 954 OD1 ASN A 60 14.719 22.469 12.315 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.252 24.327 13.361 1.00 0.00 N ATOM 0 H ASN A 60 18.704 21.201 14.188 1.00 0.00 H new ATOM 0 HA ASN A 60 17.217 22.019 12.631 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.848 22.073 14.810 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.204 23.786 14.903 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.496 24.530 12.707 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.454 24.974 14.123 1.00 0.00 H new ATOM 962 N ILE A 61 19.116 24.081 12.415 1.00 0.00 N ATOM 963 CA ILE A 61 19.684 25.339 11.849 1.00 0.00 C ATOM 964 C ILE A 61 19.175 25.528 10.412 1.00 0.00 C ATOM 965 O ILE A 61 18.525 24.663 9.860 1.00 0.00 O ATOM 966 CB ILE A 61 21.215 25.231 11.884 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.684 25.309 13.343 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.858 26.368 11.084 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.120 24.797 13.450 1.00 0.00 C ATOM 0 H ILE A 61 19.749 23.281 12.404 1.00 0.00 H new ATOM 0 HA ILE A 61 19.372 26.205 12.433 1.00 0.00 H new ATOM 0 HB ILE A 61 21.514 24.282 11.438 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.627 26.338 13.699 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.027 24.715 13.979 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.943 26.272 11.123 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.526 26.317 10.047 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.563 27.326 11.512 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.450 24.854 14.487 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.163 23.762 13.111 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.772 25.410 12.828 1.00 0.00 H new ATOM 981 N GLN A 62 19.456 26.656 9.803 1.00 0.00 N ATOM 982 CA GLN A 62 18.980 26.897 8.404 1.00 0.00 C ATOM 983 C GLN A 62 20.033 27.693 7.619 1.00 0.00 C ATOM 984 O GLN A 62 20.757 28.511 8.161 1.00 0.00 O ATOM 985 CB GLN A 62 17.663 27.676 8.449 1.00 0.00 C ATOM 986 CG GLN A 62 16.689 26.961 9.389 1.00 0.00 C ATOM 987 CD GLN A 62 15.300 27.591 9.271 1.00 0.00 C ATOM 988 OE1 GLN A 62 14.376 26.966 8.788 1.00 0.00 O ATOM 989 NE2 GLN A 62 15.112 28.810 9.696 1.00 0.00 N ATOM 0 H GLN A 62 19.994 27.419 10.214 1.00 0.00 H new ATOM 0 HA GLN A 62 18.822 25.941 7.905 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.840 28.694 8.795 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.235 27.749 7.449 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.640 25.901 9.140 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.044 27.031 10.417 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.888 29.334 10.101 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.189 29.239 9.623 1.00 0.00 H new ATOM 998 N LYS A 63 20.133 27.437 6.343 1.00 0.00 N ATOM 999 CA LYS A 63 21.144 28.150 5.513 1.00 0.00 C ATOM 1000 C LYS A 63 21.019 29.664 5.698 1.00 0.00 C ATOM 1001 O LYS A 63 19.948 30.196 5.907 1.00 0.00 O ATOM 1002 CB LYS A 63 20.945 27.794 4.036 1.00 0.00 C ATOM 1003 CG LYS A 63 19.471 27.939 3.650 1.00 0.00 C ATOM 1004 CD LYS A 63 19.315 27.670 2.150 1.00 0.00 C ATOM 1005 CE LYS A 63 17.838 27.746 1.760 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.326 29.123 2.013 1.00 0.00 N ATOM 0 H LYS A 63 19.557 26.763 5.839 1.00 0.00 H new ATOM 0 HA LYS A 63 22.139 27.839 5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.557 28.445 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.277 26.772 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.862 27.239 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.116 28.941 3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.889 28.400 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.715 26.686 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.715 27.489 0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.262 27.021 2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.426 29.257 1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.175 29.255 3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.020 29.819 1.673 1.00 0.00 H new ATOM 1020 N GLU A 64 22.122 30.357 5.610 1.00 0.00 N ATOM 1021 CA GLU A 64 22.116 31.838 5.764 1.00 0.00 C ATOM 1022 C GLU A 64 21.759 32.225 7.205 1.00 0.00 C ATOM 1023 O GLU A 64 21.435 33.363 7.483 1.00 0.00 O ATOM 1024 CB GLU A 64 21.106 32.464 4.787 1.00 0.00 C ATOM 1025 CG GLU A 64 21.511 33.911 4.480 1.00 0.00 C ATOM 1026 CD GLU A 64 20.374 34.622 3.743 1.00 0.00 C ATOM 1027 OE1 GLU A 64 20.015 34.167 2.669 1.00 0.00 O ATOM 1028 OE2 GLU A 64 19.886 35.611 4.263 1.00 0.00 O ATOM 0 H GLU A 64 23.041 29.951 5.435 1.00 0.00 H new ATOM 0 HA GLU A 64 23.113 32.216 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 64 21.069 31.883 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.105 32.440 5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.742 34.438 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.415 33.924 3.872 1.00 0.00 H new HETATM 1035 N SEP A 65 21.832 31.306 8.133 1.00 0.00 N HETATM 1036 CA SEP A 65 21.518 31.669 9.547 1.00 0.00 C HETATM 1037 CB SEP A 65 21.160 30.408 10.335 1.00 0.00 C HETATM 1038 OG SEP A 65 19.849 29.988 9.979 1.00 0.00 O HETATM 1039 C SEP A 65 22.758 32.322 10.156 1.00 0.00 C HETATM 1040 O SEP A 65 23.857 32.098 9.696 1.00 0.00 O HETATM 1041 P SEP A 65 18.627 30.816 10.412 1.00 0.00 P HETATM 1042 O1P SEP A 65 18.037 31.406 9.085 1.00 0.00 O HETATM 1043 O2P SEP A 65 17.667 29.798 11.118 1.00 0.00 O HETATM 1044 O3P SEP A 65 19.189 31.912 11.381 1.00 0.00 O HETATM 0 HB3 SEP A 65 21.878 29.616 10.122 1.00 0.00 H new HETATM 0 HB2 SEP A 65 21.212 30.607 11.405 1.00 0.00 H new HETATM 0 HA SEP A 65 20.673 32.356 9.583 1.00 0.00 H new HETATM 0 H SEP A 65 21.786 30.332 7.834 1.00 0.00 H new HETATM 1049 N TPO A 66 22.605 33.141 11.174 1.00 0.00 N HETATM 1050 CA TPO A 66 23.804 33.810 11.787 1.00 0.00 C HETATM 1051 CB TPO A 66 23.594 35.327 11.833 1.00 0.00 C HETATM 1052 CG2 TPO A 66 22.711 35.765 10.667 1.00 0.00 C HETATM 1053 OG1 TPO A 66 22.974 35.682 13.063 1.00 0.00 O HETATM 1054 P TPO A 66 23.125 37.104 13.627 1.00 0.00 P HETATM 1055 O1P TPO A 66 24.096 36.962 14.849 1.00 0.00 O HETATM 1056 O2P TPO A 66 23.724 37.954 12.455 1.00 0.00 O HETATM 1057 O3P TPO A 66 21.677 37.543 14.035 1.00 0.00 O HETATM 1058 C TPO A 66 24.044 33.291 13.205 1.00 0.00 C HETATM 1059 O TPO A 66 23.174 33.325 14.052 1.00 0.00 O HETATM 0 HG23 TPO A 66 23.192 35.497 9.726 1.00 0.00 H new HETATM 0 HG22 TPO A 66 21.744 35.266 10.735 1.00 0.00 H new HETATM 0 HG21 TPO A 66 22.566 36.845 10.706 1.00 0.00 H new HETATM 0 HB TPO A 66 24.560 35.826 11.755 1.00 0.00 H new HETATM 0 HA TPO A 66 24.674 33.580 11.172 1.00 0.00 H new ATOM 1066 N LEU A 67 25.237 32.817 13.464 1.00 0.00 N ATOM 1067 CA LEU A 67 25.576 32.294 14.823 1.00 0.00 C ATOM 1068 C LEU A 67 26.269 33.403 15.626 1.00 0.00 C ATOM 1069 O LEU A 67 26.987 34.217 15.081 1.00 0.00 O ATOM 1070 CB LEU A 67 26.536 31.098 14.676 1.00 0.00 C ATOM 1071 CG LEU A 67 25.744 29.806 14.463 1.00 0.00 C ATOM 1072 CD1 LEU A 67 24.842 29.944 13.235 1.00 0.00 C ATOM 1073 CD2 LEU A 67 26.718 28.645 14.249 1.00 0.00 C ATOM 0 H LEU A 67 25.997 32.770 12.786 1.00 0.00 H new ATOM 0 HA LEU A 67 24.669 31.977 15.338 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.208 31.264 13.834 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.157 31.009 15.567 1.00 0.00 H new ATOM 0 HG LEU A 67 25.127 29.614 15.341 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.281 29.021 13.090 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.147 30.770 13.385 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.454 30.139 12.354 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.157 27.723 14.097 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.334 28.844 13.372 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.358 28.540 15.125 1.00 0.00 H new ATOM 1085 N HIS A 68 26.069 33.431 16.919 1.00 0.00 N ATOM 1086 CA HIS A 68 26.732 34.477 17.759 1.00 0.00 C ATOM 1087 C HIS A 68 28.047 33.918 18.291 1.00 0.00 C ATOM 1088 O HIS A 68 28.091 32.817 18.805 1.00 0.00 O ATOM 1089 CB HIS A 68 25.839 34.831 18.947 1.00 0.00 C ATOM 1090 CG HIS A 68 24.415 34.971 18.485 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.463 33.986 18.707 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.765 35.976 17.813 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.302 34.417 18.177 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.435 35.622 17.621 1.00 0.00 N ATOM 0 H HIS A 68 25.476 32.776 17.430 1.00 0.00 H new ATOM 0 HA HIS A 68 26.908 35.367 17.156 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.909 34.057 19.711 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.177 35.761 19.404 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.218 36.900 17.484 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.379 33.857 18.199 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.712 36.169 17.153 1.00 0.00 H new ATOM 1103 N LEU A 69 29.115 34.662 18.173 1.00 0.00 N ATOM 1104 CA LEU A 69 30.436 34.169 18.673 1.00 0.00 C ATOM 1105 C LEU A 69 30.863 34.978 19.896 1.00 0.00 C ATOM 1106 O LEU A 69 30.885 36.192 19.874 1.00 0.00 O ATOM 1107 CB LEU A 69 31.489 34.315 17.563 1.00 0.00 C ATOM 1108 CG LEU A 69 32.859 33.743 18.032 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.541 32.998 16.878 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.786 34.879 18.492 1.00 0.00 C ATOM 0 H LEU A 69 29.131 35.591 17.752 1.00 0.00 H new ATOM 0 HA LEU A 69 30.346 33.120 18.954 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.157 33.790 16.667 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.600 35.366 17.295 1.00 0.00 H new ATOM 0 HG LEU A 69 32.674 33.060 18.861 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.498 32.602 17.216 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.904 32.177 16.548 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.706 33.685 16.048 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.739 34.462 18.817 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.954 35.569 17.665 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.323 35.413 19.321 1.00 0.00 H new ATOM 1122 N VAL A 70 31.214 34.300 20.962 1.00 0.00 N ATOM 1123 CA VAL A 70 31.658 34.998 22.212 1.00 0.00 C ATOM 1124 C VAL A 70 33.104 34.600 22.513 1.00 0.00 C ATOM 1125 O VAL A 70 33.538 33.516 22.177 1.00 0.00 O ATOM 1126 CB VAL A 70 30.763 34.573 23.376 1.00 0.00 C ATOM 1127 CG1 VAL A 70 31.187 35.314 24.645 1.00 0.00 C ATOM 1128 CG2 VAL A 70 29.308 34.914 23.049 1.00 0.00 C ATOM 0 H VAL A 70 31.212 33.282 21.021 1.00 0.00 H new ATOM 0 HA VAL A 70 31.590 36.078 22.078 1.00 0.00 H new ATOM 0 HB VAL A 70 30.859 33.499 23.535 1.00 0.00 H new ATOM 0 HG11 VAL A 70 30.548 35.010 25.474 1.00 0.00 H new ATOM 0 HG12 VAL A 70 32.224 35.072 24.878 1.00 0.00 H new ATOM 0 HG13 VAL A 70 31.091 36.388 24.488 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.668 34.612 23.878 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.213 35.988 22.890 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.005 34.386 22.145 1.00 0.00 H new ATOM 1138 N LEU A 71 33.853 35.461 23.143 1.00 0.00 N ATOM 1139 CA LEU A 71 35.272 35.122 23.457 1.00 0.00 C ATOM 1140 C LEU A 71 35.301 34.227 24.696 1.00 0.00 C ATOM 1141 O LEU A 71 35.423 33.022 24.598 1.00 0.00 O ATOM 1142 CB LEU A 71 36.056 36.412 23.711 1.00 0.00 C ATOM 1143 CG LEU A 71 36.387 37.087 22.374 1.00 0.00 C ATOM 1144 CD1 LEU A 71 35.113 37.243 21.537 1.00 0.00 C ATOM 1145 CD2 LEU A 71 36.991 38.467 22.643 1.00 0.00 C ATOM 0 H LEU A 71 33.547 36.383 23.454 1.00 0.00 H new ATOM 0 HA LEU A 71 35.730 34.593 22.621 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.471 37.087 24.336 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.974 36.190 24.255 1.00 0.00 H new ATOM 0 HG LEU A 71 37.100 36.471 21.826 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.357 37.723 20.589 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.681 36.261 21.346 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.394 37.856 22.080 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.228 38.951 21.696 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.274 39.077 23.193 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.901 38.357 23.232 1.00 0.00 H new ATOM 1157 N ARG A 72 35.159 34.798 25.859 1.00 0.00 N ATOM 1158 CA ARG A 72 35.144 33.958 27.092 1.00 0.00 C ATOM 1159 C ARG A 72 34.677 34.767 28.292 1.00 0.00 C ATOM 1160 O ARG A 72 34.104 35.833 28.160 1.00 0.00 O ATOM 1161 CB ARG A 72 36.527 33.361 27.368 1.00 0.00 C ATOM 1162 CG ARG A 72 37.607 34.444 27.608 1.00 0.00 C ATOM 1163 CD ARG A 72 39.016 33.814 27.335 1.00 0.00 C ATOM 1164 NE ARG A 72 40.061 34.261 28.350 1.00 0.00 N ATOM 1165 CZ ARG A 72 40.832 33.369 28.938 1.00 0.00 C ATOM 1166 NH1 ARG A 72 41.976 33.734 29.460 1.00 0.00 N ATOM 1167 NH2 ARG A 72 40.419 32.135 29.107 1.00 0.00 N ATOM 0 H ARG A 72 35.053 35.801 26.011 1.00 0.00 H new ATOM 0 HA ARG A 72 34.442 33.141 26.926 1.00 0.00 H new ATOM 0 HB2 ARG A 72 36.470 32.711 28.241 1.00 0.00 H new ATOM 0 HB3 ARG A 72 36.824 32.738 26.525 1.00 0.00 H new ATOM 0 HG2 ARG A 72 37.440 35.297 26.950 1.00 0.00 H new ATOM 0 HG3 ARG A 72 37.550 34.815 28.631 1.00 0.00 H new ATOM 0 HD2 ARG A 72 38.935 32.727 27.356 1.00 0.00 H new ATOM 0 HD3 ARG A 72 39.346 34.089 26.333 1.00 0.00 H new ATOM 0 HE ARG A 72 40.164 35.251 28.574 1.00 0.00 H new ATOM 0 HH11 ARG A 72 42.271 34.709 29.412 1.00 0.00 H new ATOM 0 HH12 ARG A 72 42.573 33.043 29.915 1.00 0.00 H new ATOM 0 HH21 ARG A 72 39.493 31.858 28.782 1.00 0.00 H new ATOM 0 HH22 ARG A 72 41.024 31.453 29.564 1.00 0.00 H new ATOM 1181 N LEU A 73 34.913 34.256 29.465 1.00 0.00 N ATOM 1182 CA LEU A 73 34.484 34.962 30.703 1.00 0.00 C ATOM 1183 C LEU A 73 35.230 36.292 30.825 1.00 0.00 C ATOM 1184 O LEU A 73 36.410 36.324 31.095 1.00 0.00 O ATOM 1185 CB LEU A 73 34.811 34.086 31.923 1.00 0.00 C ATOM 1186 CG LEU A 73 34.421 32.629 31.653 1.00 0.00 C ATOM 1187 CD1 LEU A 73 34.729 31.789 32.895 1.00 0.00 C ATOM 1188 CD2 LEU A 73 32.924 32.540 31.334 1.00 0.00 C ATOM 0 H LEU A 73 35.391 33.368 29.622 1.00 0.00 H new ATOM 0 HA LEU A 73 33.412 35.152 30.658 1.00 0.00 H new ATOM 0 HB2 LEU A 73 35.875 34.148 32.149 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.277 34.456 32.798 1.00 0.00 H new ATOM 0 HG LEU A 73 34.989 32.253 30.802 1.00 0.00 H new ATOM 0 HD11 LEU A 73 34.454 30.751 32.710 1.00 0.00 H new ATOM 0 HD12 LEU A 73 35.794 31.848 33.119 1.00 0.00 H new ATOM 0 HD13 LEU A 73 34.159 32.170 33.742 1.00 0.00 H new ATOM 0 HD21 LEU A 73 32.654 31.501 31.143 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.349 32.915 32.180 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.704 33.140 30.451 1.00 0.00 H new ATOM 1200 N ARG A 74 34.546 37.390 30.650 1.00 0.00 N ATOM 1201 CA ARG A 74 35.226 38.710 30.778 1.00 0.00 C ATOM 1202 C ARG A 74 35.798 38.816 32.194 1.00 0.00 C ATOM 1203 O ARG A 74 36.812 39.445 32.417 1.00 0.00 O ATOM 1204 CB ARG A 74 34.203 39.831 30.535 1.00 0.00 C ATOM 1205 CG ARG A 74 34.890 41.218 30.611 1.00 0.00 C ATOM 1206 CD ARG A 74 33.844 42.343 30.853 1.00 0.00 C ATOM 1207 NE ARG A 74 33.594 43.147 29.594 1.00 0.00 N ATOM 1208 CZ ARG A 74 33.272 44.414 29.677 1.00 0.00 C ATOM 1209 NH1 ARG A 74 32.769 45.018 28.639 1.00 0.00 N ATOM 1210 NH2 ARG A 74 33.544 45.117 30.763 1.00 0.00 N ATOM 0 H ARG A 74 33.552 37.430 30.425 1.00 0.00 H new ATOM 0 HA ARG A 74 36.029 38.803 30.047 1.00 0.00 H new ATOM 0 HB2 ARG A 74 33.738 39.702 29.558 1.00 0.00 H new ATOM 0 HB3 ARG A 74 33.407 39.772 31.277 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.625 41.220 31.416 1.00 0.00 H new ATOM 0 HG3 ARG A 74 35.431 41.412 29.685 1.00 0.00 H new ATOM 0 HD2 ARG A 74 32.908 41.903 31.197 1.00 0.00 H new ATOM 0 HD3 ARG A 74 34.196 43.004 31.645 1.00 0.00 H new ATOM 0 HE ARG A 74 33.676 42.701 28.680 1.00 0.00 H new ATOM 0 HH11 ARG A 74 32.628 44.505 27.769 1.00 0.00 H new ATOM 0 HH12 ARG A 74 32.516 46.004 28.696 1.00 0.00 H new ATOM 0 HH21 ARG A 74 34.012 44.674 31.554 1.00 0.00 H new ATOM 0 HH22 ARG A 74 33.286 46.103 30.810 1.00 0.00 H new ATOM 1224 N GLY A 75 35.151 38.197 33.147 1.00 0.00 N ATOM 1225 CA GLY A 75 35.642 38.247 34.554 1.00 0.00 C ATOM 1226 C GLY A 75 37.047 37.644 34.624 1.00 0.00 C ATOM 1227 O GLY A 75 37.956 38.106 33.964 1.00 0.00 O ATOM 0 H GLY A 75 34.298 37.656 33.009 1.00 0.00 H new ATOM 0 HA2 GLY A 75 35.659 39.278 34.909 1.00 0.00 H new ATOM 0 HA3 GLY A 75 34.965 37.696 35.207 1.00 0.00 H new ATOM 1231 N GLY A 76 37.233 36.621 35.411 1.00 0.00 N ATOM 1232 CA GLY A 76 38.584 36.003 35.508 1.00 0.00 C ATOM 1233 C GLY A 76 39.526 36.960 36.235 1.00 0.00 C ATOM 1234 O GLY A 76 39.032 37.876 36.869 1.00 0.00 O ATOM 1235 OXT GLY A 76 40.727 36.761 36.144 1.00 0.00 O ATOM 0 H GLY A 76 36.512 36.188 35.988 1.00 0.00 H new ATOM 0 HA2 GLY A 76 38.525 35.055 36.044 1.00 0.00 H new ATOM 0 HA3 GLY A 76 38.968 35.783 34.512 1.00 0.00 H new TER 1239 GLY A 76