USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, 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 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Set 1.1: A 55 THR OG1 : rot 117:sc= 0.111 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0929 USER MOD Set 2.1: A 7 THR OG1 : rot -88:sc= 1.23 USER MOD Set 2.2: A 9 THR OG1 : rot -170:sc=-0.00603 USER MOD Set 3.1: A 2 GLN : amide:sc= 0.799 K(o=1.7,f=-0.89!) USER MOD Set 3.2: A 14 THR OG1 : rot 84:sc= 0.892 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.597 (180deg=0.459) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.0159 (180deg=-0.245) USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= -0.0121 (180deg=-0.206) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.319 F(o=-1.9,f=-0.32) USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= -5.09! (180deg=-6.3!) USER MOD Single : A 29 LYS NZ :NH3+ -147:sc= -0.218 (180deg=-1.04) USER MOD Single : A 31 GLN : amide:sc= -0.0289 K(o=-0.029,f=-1.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.384 K(o=-0.38,f=-3.4!) USER MOD Single : A 41 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.56) USER MOD Single : A 48 LYS NZ :NH3+ -108:sc= 0.199 (180deg=-0.751) USER MOD Single : A 49 GLN : amide:sc= -0.0682 K(o=-0.068,f=-0.63) USER MOD Single : A 59 TYR OH : rot 67:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.6!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -0.131 K(o=-0.13,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.696 24.306 3.208 1.00 0.00 N ATOM 2 CA MET A 1 24.832 25.506 3.389 1.00 0.00 C ATOM 3 C MET A 1 25.699 26.705 3.774 1.00 0.00 C ATOM 4 O MET A 1 26.788 26.554 4.294 1.00 0.00 O ATOM 5 CB MET A 1 23.808 25.235 4.493 1.00 0.00 C ATOM 6 CG MET A 1 22.838 24.146 4.029 1.00 0.00 C ATOM 7 SD MET A 1 21.677 23.760 5.361 1.00 0.00 S ATOM 8 CE MET A 1 20.694 22.539 4.455 1.00 0.00 C ATOM 0 H1 MET A 1 25.123 23.516 2.848 1.00 0.00 H new ATOM 0 H2 MET A 1 26.453 24.522 2.528 1.00 0.00 H new ATOM 0 H3 MET A 1 26.117 24.040 4.121 1.00 0.00 H new ATOM 0 HA MET A 1 24.310 25.723 2.457 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.315 24.921 5.406 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.261 26.148 4.730 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.295 24.481 3.145 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.390 23.251 3.743 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.901 22.159 5.100 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.253 23.007 3.575 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.335 21.714 4.144 1.00 0.00 H new ATOM 20 N GLN A 2 25.228 27.898 3.517 1.00 0.00 N ATOM 21 CA GLN A 2 26.021 29.120 3.858 1.00 0.00 C ATOM 22 C GLN A 2 25.499 29.732 5.159 1.00 0.00 C ATOM 23 O GLN A 2 24.311 29.754 5.415 1.00 0.00 O ATOM 24 CB GLN A 2 25.878 30.143 2.729 1.00 0.00 C ATOM 25 CG GLN A 2 26.810 31.328 2.993 1.00 0.00 C ATOM 26 CD GLN A 2 26.763 32.289 1.803 1.00 0.00 C ATOM 27 OE1 GLN A 2 25.995 32.096 0.881 1.00 0.00 O ATOM 28 NE2 GLN A 2 27.558 33.324 1.785 1.00 0.00 N ATOM 0 H GLN A 2 24.323 28.080 3.083 1.00 0.00 H new ATOM 0 HA GLN A 2 27.069 28.846 3.983 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.122 29.681 1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 2 24.846 30.486 2.663 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.509 31.845 3.904 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.829 30.975 3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 2 28.202 33.486 2.559 1.00 0.00 H new ATOM 0 HE22 GLN A 2 27.535 33.971 0.997 1.00 0.00 H new ATOM 37 N ILE A 3 26.380 30.242 5.979 1.00 0.00 N ATOM 38 CA ILE A 3 25.950 30.873 7.264 1.00 0.00 C ATOM 39 C ILE A 3 26.858 32.069 7.546 1.00 0.00 C ATOM 40 O ILE A 3 27.890 32.228 6.921 1.00 0.00 O ATOM 41 CB ILE A 3 26.063 29.858 8.405 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.439 29.192 8.364 1.00 0.00 C ATOM 43 CG2 ILE A 3 24.976 28.793 8.252 1.00 0.00 C ATOM 44 CD1 ILE A 3 27.597 28.277 9.580 1.00 0.00 C ATOM 0 H ILE A 3 27.386 30.249 5.813 1.00 0.00 H new ATOM 0 HA ILE A 3 24.913 31.201 7.188 1.00 0.00 H new ATOM 0 HB ILE A 3 25.937 30.371 9.359 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.549 28.616 7.445 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.222 29.950 8.361 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.057 28.071 9.064 1.00 0.00 H new ATOM 0 HG22 ILE A 3 23.995 29.267 8.284 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.100 28.281 7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.577 27.801 9.552 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.505 28.866 10.493 1.00 0.00 H new ATOM 0 HD13 ILE A 3 26.822 27.511 9.562 1.00 0.00 H new ATOM 56 N PHE A 4 26.484 32.919 8.473 1.00 0.00 N ATOM 57 CA PHE A 4 27.324 34.117 8.790 1.00 0.00 C ATOM 58 C PHE A 4 27.604 34.167 10.290 1.00 0.00 C ATOM 59 O PHE A 4 26.757 33.855 11.097 1.00 0.00 O ATOM 60 CB PHE A 4 26.574 35.383 8.372 1.00 0.00 C ATOM 61 CG PHE A 4 26.343 35.364 6.880 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.186 34.773 6.359 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.286 35.937 6.018 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.972 34.755 4.975 1.00 0.00 C ATOM 65 CE2 PHE A 4 27.071 35.919 4.634 1.00 0.00 C ATOM 66 CZ PHE A 4 25.914 35.328 4.113 1.00 0.00 C ATOM 0 H PHE A 4 25.631 32.834 9.025 1.00 0.00 H new ATOM 0 HA PHE A 4 28.268 34.052 8.249 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.621 35.444 8.897 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.148 36.267 8.650 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.459 34.331 7.024 1.00 0.00 H new ATOM 0 HD2 PHE A 4 28.179 36.393 6.420 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.080 34.299 4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.798 36.361 3.969 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.748 35.314 3.046 1.00 0.00 H new ATOM 76 N VAL A 5 28.793 34.560 10.670 1.00 0.00 N ATOM 77 CA VAL A 5 29.138 34.639 12.123 1.00 0.00 C ATOM 78 C VAL A 5 29.194 36.108 12.539 1.00 0.00 C ATOM 79 O VAL A 5 30.007 36.869 12.054 1.00 0.00 O ATOM 80 CB VAL A 5 30.503 33.991 12.359 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.792 33.951 13.861 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.492 32.565 11.805 1.00 0.00 C ATOM 0 H VAL A 5 29.543 34.831 10.034 1.00 0.00 H new ATOM 0 HA VAL A 5 28.384 34.116 12.711 1.00 0.00 H new ATOM 0 HB VAL A 5 31.275 34.571 11.854 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.765 33.489 14.032 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.797 34.966 14.258 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.020 33.369 14.365 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.464 32.102 11.973 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.721 31.984 12.311 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.282 32.592 10.736 1.00 0.00 H new ATOM 92 N LYS A 6 28.333 36.512 13.435 1.00 0.00 N ATOM 93 CA LYS A 6 28.335 37.932 13.891 1.00 0.00 C ATOM 94 C LYS A 6 29.275 38.068 15.090 1.00 0.00 C ATOM 95 O LYS A 6 29.036 37.510 16.143 1.00 0.00 O ATOM 96 CB LYS A 6 26.914 38.323 14.304 1.00 0.00 C ATOM 97 CG LYS A 6 26.898 39.772 14.794 1.00 0.00 C ATOM 98 CD LYS A 6 25.453 40.203 15.054 1.00 0.00 C ATOM 99 CE LYS A 6 25.434 41.629 15.605 1.00 0.00 C ATOM 100 NZ LYS A 6 25.953 41.630 17.001 1.00 0.00 N ATOM 0 H LYS A 6 27.627 35.919 13.871 1.00 0.00 H new ATOM 0 HA LYS A 6 28.674 38.585 13.087 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.235 38.207 13.459 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.559 37.659 15.092 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.487 39.866 15.706 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.356 40.424 14.050 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.876 40.151 14.131 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.982 39.522 15.763 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.044 42.280 14.979 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.419 42.025 15.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.694 42.523 17.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.539 40.833 17.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.988 41.534 16.986 1.00 0.00 H new ATOM 114 N THR A 7 30.354 38.796 14.932 1.00 0.00 N ATOM 115 CA THR A 7 31.322 38.963 16.058 1.00 0.00 C ATOM 116 C THR A 7 30.964 40.210 16.873 1.00 0.00 C ATOM 117 O THR A 7 30.258 41.084 16.412 1.00 0.00 O ATOM 118 CB THR A 7 32.733 39.120 15.487 1.00 0.00 C ATOM 119 OG1 THR A 7 32.763 40.239 14.613 1.00 0.00 O ATOM 120 CG2 THR A 7 33.116 37.855 14.716 1.00 0.00 C ATOM 0 H THR A 7 30.605 39.282 14.071 1.00 0.00 H new ATOM 0 HA THR A 7 31.278 38.087 16.705 1.00 0.00 H new ATOM 0 HB THR A 7 33.442 39.274 16.300 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.514 39.955 13.709 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.121 37.967 14.309 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.090 36.997 15.388 1.00 0.00 H new ATOM 0 HG23 THR A 7 32.410 37.698 13.900 1.00 0.00 H new ATOM 128 N LEU A 8 31.447 40.295 18.082 1.00 0.00 N ATOM 129 CA LEU A 8 31.135 41.481 18.931 1.00 0.00 C ATOM 130 C LEU A 8 31.838 42.720 18.369 1.00 0.00 C ATOM 131 O LEU A 8 31.472 43.839 18.668 1.00 0.00 O ATOM 132 CB LEU A 8 31.624 41.223 20.362 1.00 0.00 C ATOM 133 CG LEU A 8 30.641 40.300 21.089 1.00 0.00 C ATOM 134 CD1 LEU A 8 30.605 38.932 20.398 1.00 0.00 C ATOM 135 CD2 LEU A 8 31.092 40.128 22.542 1.00 0.00 C ATOM 0 H LEU A 8 32.045 39.594 18.520 1.00 0.00 H new ATOM 0 HA LEU A 8 30.058 41.649 18.935 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.615 40.769 20.341 1.00 0.00 H new ATOM 0 HB3 LEU A 8 31.717 42.166 20.900 1.00 0.00 H new ATOM 0 HG LEU A 8 29.644 40.739 21.063 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.904 38.280 20.919 1.00 0.00 H new ATOM 0 HD12 LEU A 8 30.285 39.055 19.363 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.600 38.487 20.420 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.396 39.472 23.064 1.00 0.00 H new ATOM 0 HD22 LEU A 8 32.090 39.689 22.564 1.00 0.00 H new ATOM 0 HD23 LEU A 8 31.112 41.100 23.034 1.00 0.00 H new ATOM 147 N THR A 9 32.847 42.534 17.559 1.00 0.00 N ATOM 148 CA THR A 9 33.568 43.709 16.990 1.00 0.00 C ATOM 149 C THR A 9 32.792 44.251 15.788 1.00 0.00 C ATOM 150 O THR A 9 33.147 45.259 15.212 1.00 0.00 O ATOM 151 CB THR A 9 34.970 43.286 16.548 1.00 0.00 C ATOM 152 OG1 THR A 9 34.869 42.245 15.586 1.00 0.00 O ATOM 153 CG2 THR A 9 35.760 42.790 17.760 1.00 0.00 C ATOM 0 H THR A 9 33.201 41.623 17.268 1.00 0.00 H new ATOM 0 HA THR A 9 33.649 44.487 17.749 1.00 0.00 H new ATOM 0 HB THR A 9 35.485 44.139 16.106 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.757 41.866 15.420 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.759 42.489 17.445 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.838 43.590 18.496 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.247 41.937 18.204 1.00 0.00 H new ATOM 161 N GLY A 10 31.728 43.592 15.410 1.00 0.00 N ATOM 162 CA GLY A 10 30.919 44.073 14.252 1.00 0.00 C ATOM 163 C GLY A 10 31.450 43.468 12.953 1.00 0.00 C ATOM 164 O GLY A 10 31.091 43.894 11.873 1.00 0.00 O ATOM 0 H GLY A 10 31.384 42.740 15.854 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.873 43.798 14.390 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.958 45.161 14.198 1.00 0.00 H new ATOM 168 N LYS A 11 32.297 42.473 13.035 1.00 0.00 N ATOM 169 CA LYS A 11 32.835 41.848 11.790 1.00 0.00 C ATOM 170 C LYS A 11 31.956 40.658 11.400 1.00 0.00 C ATOM 171 O LYS A 11 31.742 39.745 12.179 1.00 0.00 O ATOM 172 CB LYS A 11 34.265 41.357 12.036 1.00 0.00 C ATOM 173 CG LYS A 11 35.173 42.548 12.349 1.00 0.00 C ATOM 174 CD LYS A 11 36.583 42.042 12.663 1.00 0.00 C ATOM 175 CE LYS A 11 37.445 43.203 13.159 1.00 0.00 C ATOM 176 NZ LYS A 11 37.634 44.189 12.058 1.00 0.00 N ATOM 0 H LYS A 11 32.638 42.068 13.907 1.00 0.00 H new ATOM 0 HA LYS A 11 32.836 42.586 10.988 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.279 40.649 12.865 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.634 40.827 11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 11 35.200 43.232 11.501 1.00 0.00 H new ATOM 0 HG3 LYS A 11 34.778 43.108 13.197 1.00 0.00 H new ATOM 0 HD2 LYS A 11 36.539 41.259 13.420 1.00 0.00 H new ATOM 0 HD3 LYS A 11 37.029 41.600 11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 11 36.969 43.684 14.014 1.00 0.00 H new ATOM 0 HE3 LYS A 11 38.412 42.832 13.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 38.376 44.867 12.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 37.915 43.690 11.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 36.743 44.699 11.892 1.00 0.00 H new ATOM 190 N THR A 12 31.443 40.663 10.197 1.00 0.00 N ATOM 191 CA THR A 12 30.575 39.537 9.736 1.00 0.00 C ATOM 192 C THR A 12 31.406 38.577 8.885 1.00 0.00 C ATOM 193 O THR A 12 31.911 38.940 7.840 1.00 0.00 O ATOM 194 CB THR A 12 29.425 40.092 8.893 1.00 0.00 C ATOM 195 OG1 THR A 12 28.617 40.942 9.696 1.00 0.00 O ATOM 196 CG2 THR A 12 28.579 38.936 8.358 1.00 0.00 C ATOM 0 H THR A 12 31.589 41.403 9.510 1.00 0.00 H new ATOM 0 HA THR A 12 30.172 39.009 10.600 1.00 0.00 H new ATOM 0 HB THR A 12 29.829 40.661 8.056 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.881 41.299 9.156 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.760 39.332 7.758 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.200 38.286 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.173 38.365 9.193 1.00 0.00 H new ATOM 204 N ILE A 13 31.545 37.350 9.321 1.00 0.00 N ATOM 205 CA ILE A 13 32.336 36.345 8.542 1.00 0.00 C ATOM 206 C ILE A 13 31.381 35.337 7.913 1.00 0.00 C ATOM 207 O ILE A 13 30.418 34.924 8.525 1.00 0.00 O ATOM 208 CB ILE A 13 33.301 35.611 9.472 1.00 0.00 C ATOM 209 CG1 ILE A 13 34.025 36.634 10.350 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.319 34.831 8.632 1.00 0.00 C ATOM 211 CD1 ILE A 13 35.172 35.953 11.098 1.00 0.00 C ATOM 0 H ILE A 13 31.142 36.998 10.189 1.00 0.00 H new ATOM 0 HA ILE A 13 32.904 36.856 7.764 1.00 0.00 H new ATOM 0 HB ILE A 13 32.751 34.915 10.106 1.00 0.00 H new ATOM 0 HG12 ILE A 13 34.411 37.447 9.735 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.327 37.076 11.061 1.00 0.00 H new ATOM 0 HG21 ILE A 13 35.009 34.306 9.292 1.00 0.00 H new ATOM 0 HG22 ILE A 13 33.796 34.109 8.005 1.00 0.00 H new ATOM 0 HG23 ILE A 13 34.876 35.523 8.001 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.685 36.685 11.722 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.774 35.156 11.726 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.876 35.532 10.380 1.00 0.00 H new ATOM 223 N THR A 14 31.642 34.942 6.695 1.00 0.00 N ATOM 224 CA THR A 14 30.752 33.958 5.996 1.00 0.00 C ATOM 225 C THR A 14 31.507 32.648 5.775 1.00 0.00 C ATOM 226 O THR A 14 32.651 32.642 5.365 1.00 0.00 O ATOM 227 CB THR A 14 30.330 34.533 4.641 1.00 0.00 C ATOM 228 OG1 THR A 14 29.396 33.654 4.028 1.00 0.00 O ATOM 229 CG2 THR A 14 31.556 34.685 3.739 1.00 0.00 C ATOM 0 H THR A 14 32.441 35.260 6.146 1.00 0.00 H new ATOM 0 HA THR A 14 29.870 33.769 6.608 1.00 0.00 H new ATOM 0 HB THR A 14 29.871 35.510 4.790 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.496 33.847 4.364 1.00 0.00 H new ATOM 0 HG21 THR A 14 31.251 35.094 2.776 1.00 0.00 H new ATOM 0 HG22 THR A 14 32.272 35.359 4.209 1.00 0.00 H new ATOM 0 HG23 THR A 14 32.020 33.710 3.588 1.00 0.00 H new ATOM 237 N LEU A 15 30.871 31.535 6.043 1.00 0.00 N ATOM 238 CA LEU A 15 31.537 30.211 5.853 1.00 0.00 C ATOM 239 C LEU A 15 30.562 29.233 5.194 1.00 0.00 C ATOM 240 O LEU A 15 29.358 29.404 5.241 1.00 0.00 O ATOM 241 CB LEU A 15 31.964 29.643 7.214 1.00 0.00 C ATOM 242 CG LEU A 15 32.735 30.709 8.033 1.00 0.00 C ATOM 243 CD1 LEU A 15 31.777 31.468 8.962 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.808 30.028 8.892 1.00 0.00 C ATOM 0 H LEU A 15 29.912 31.487 6.388 1.00 0.00 H new ATOM 0 HA LEU A 15 32.413 30.345 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.085 29.316 7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.593 28.765 7.066 1.00 0.00 H new ATOM 0 HG LEU A 15 33.197 31.407 7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.335 32.213 9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.010 31.965 8.367 1.00 0.00 H new ATOM 0 HD13 LEU A 15 31.305 30.766 9.650 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.347 30.782 9.466 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.334 29.323 9.575 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.506 29.495 8.247 1.00 0.00 H new ATOM 256 N GLU A 16 31.087 28.193 4.600 1.00 0.00 N ATOM 257 CA GLU A 16 30.230 27.156 3.945 1.00 0.00 C ATOM 258 C GLU A 16 30.430 25.843 4.699 1.00 0.00 C ATOM 259 O GLU A 16 31.545 25.449 4.974 1.00 0.00 O ATOM 260 CB GLU A 16 30.659 26.982 2.487 1.00 0.00 C ATOM 261 CG GLU A 16 30.357 28.265 1.708 1.00 0.00 C ATOM 262 CD GLU A 16 30.697 28.060 0.230 1.00 0.00 C ATOM 263 OE1 GLU A 16 31.824 27.688 -0.053 1.00 0.00 O ATOM 264 OE2 GLU A 16 29.823 28.277 -0.593 1.00 0.00 O ATOM 0 H GLU A 16 32.089 28.014 4.539 1.00 0.00 H new ATOM 0 HA GLU A 16 29.182 27.455 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.724 26.755 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.131 26.140 2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 16 29.305 28.529 1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.937 29.094 2.114 1.00 0.00 H new ATOM 271 N VAL A 17 29.369 25.163 5.051 1.00 0.00 N ATOM 272 CA VAL A 17 29.525 23.881 5.806 1.00 0.00 C ATOM 273 C VAL A 17 28.434 22.889 5.394 1.00 0.00 C ATOM 274 O VAL A 17 27.548 23.201 4.621 1.00 0.00 O ATOM 275 CB VAL A 17 29.435 24.165 7.323 1.00 0.00 C ATOM 276 CG1 VAL A 17 30.091 25.514 7.633 1.00 0.00 C ATOM 277 CG2 VAL A 17 27.967 24.203 7.783 1.00 0.00 C ATOM 0 H VAL A 17 28.407 25.437 4.850 1.00 0.00 H new ATOM 0 HA VAL A 17 30.497 23.445 5.576 1.00 0.00 H new ATOM 0 HB VAL A 17 29.952 23.366 7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 17 30.027 25.713 8.703 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.138 25.487 7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 17 29.576 26.303 7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.926 24.404 8.854 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.438 24.990 7.246 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.496 23.242 7.576 1.00 0.00 H new ATOM 287 N GLU A 18 28.493 21.701 5.930 1.00 0.00 N ATOM 288 CA GLU A 18 27.471 20.659 5.620 1.00 0.00 C ATOM 289 C GLU A 18 26.573 20.495 6.853 1.00 0.00 C ATOM 290 O GLU A 18 26.996 20.754 7.962 1.00 0.00 O ATOM 291 CB GLU A 18 28.189 19.334 5.326 1.00 0.00 C ATOM 292 CG GLU A 18 28.710 19.336 3.887 1.00 0.00 C ATOM 293 CD GLU A 18 29.418 18.010 3.599 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.911 17.408 4.540 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.452 17.618 2.445 1.00 0.00 O ATOM 0 H GLU A 18 29.219 21.403 6.581 1.00 0.00 H new ATOM 0 HA GLU A 18 26.873 20.945 4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.016 19.196 6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.505 18.498 5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.884 19.478 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.399 20.168 3.739 1.00 0.00 H new ATOM 302 N PRO A 19 25.350 20.065 6.679 1.00 0.00 N ATOM 303 CA PRO A 19 24.410 19.867 7.823 1.00 0.00 C ATOM 304 C PRO A 19 24.856 18.690 8.694 1.00 0.00 C ATOM 305 O PRO A 19 24.718 18.700 9.902 1.00 0.00 O ATOM 306 CB PRO A 19 23.074 19.564 7.134 1.00 0.00 C ATOM 307 CG PRO A 19 23.468 18.958 5.831 1.00 0.00 C ATOM 308 CD PRO A 19 24.718 19.715 5.396 1.00 0.00 C ATOM 0 HA PRO A 19 24.359 20.728 8.490 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.467 18.879 7.725 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.485 20.470 6.991 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.671 17.892 5.938 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.671 19.058 5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.371 19.098 4.779 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.471 20.601 4.811 1.00 0.00 H new ATOM 316 N SER A 20 25.393 17.675 8.075 1.00 0.00 N ATOM 317 CA SER A 20 25.860 16.490 8.841 1.00 0.00 C ATOM 318 C SER A 20 27.263 16.760 9.382 1.00 0.00 C ATOM 319 O SER A 20 27.884 15.899 9.975 1.00 0.00 O ATOM 320 CB SER A 20 25.897 15.271 7.916 1.00 0.00 C ATOM 321 OG SER A 20 24.570 14.930 7.536 1.00 0.00 O ATOM 0 H SER A 20 25.528 17.617 7.066 1.00 0.00 H new ATOM 0 HA SER A 20 25.179 16.298 9.670 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.496 15.489 7.032 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.370 14.430 8.423 1.00 0.00 H new ATOM 0 HG SER A 20 24.590 14.151 6.942 1.00 0.00 H new ATOM 327 N ASP A 21 27.772 17.950 9.193 1.00 0.00 N ATOM 328 CA ASP A 21 29.138 18.251 9.711 1.00 0.00 C ATOM 329 C ASP A 21 29.116 18.154 11.242 1.00 0.00 C ATOM 330 O ASP A 21 28.145 18.506 11.880 1.00 0.00 O ATOM 331 CB ASP A 21 29.566 19.667 9.272 1.00 0.00 C ATOM 332 CG ASP A 21 31.096 19.747 9.187 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.688 18.822 8.658 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.645 20.732 9.651 1.00 0.00 O ATOM 0 H ASP A 21 27.307 18.717 8.708 1.00 0.00 H new ATOM 0 HA ASP A 21 29.855 17.535 9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.126 19.905 8.304 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.193 20.406 9.982 1.00 0.00 H new ATOM 339 N THR A 22 30.176 17.674 11.837 1.00 0.00 N ATOM 340 CA THR A 22 30.209 17.552 13.326 1.00 0.00 C ATOM 341 C THR A 22 30.671 18.878 13.935 1.00 0.00 C ATOM 342 O THR A 22 31.494 19.571 13.373 1.00 0.00 O ATOM 343 CB THR A 22 31.191 16.443 13.718 1.00 0.00 C ATOM 344 OG1 THR A 22 32.495 16.787 13.274 1.00 0.00 O ATOM 345 CG2 THR A 22 30.761 15.125 13.071 1.00 0.00 C ATOM 0 H THR A 22 31.020 17.361 11.358 1.00 0.00 H new ATOM 0 HA THR A 22 29.213 17.309 13.697 1.00 0.00 H new ATOM 0 HB THR A 22 31.195 16.329 14.802 1.00 0.00 H new ATOM 0 HG1 THR A 22 33.124 16.079 13.526 1.00 0.00 H new ATOM 0 HG21 THR A 22 31.460 14.337 13.351 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.761 14.861 13.414 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.755 15.237 11.987 1.00 0.00 H new ATOM 353 N ILE A 23 30.153 19.245 15.081 1.00 0.00 N ATOM 354 CA ILE A 23 30.581 20.532 15.705 1.00 0.00 C ATOM 355 C ILE A 23 32.118 20.572 15.735 1.00 0.00 C ATOM 356 O ILE A 23 32.726 21.592 15.474 1.00 0.00 O ATOM 357 CB ILE A 23 30.017 20.641 17.141 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.538 21.071 17.108 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.807 21.687 17.938 1.00 0.00 C ATOM 360 CD1 ILE A 23 27.663 19.918 16.627 1.00 0.00 C ATOM 0 H ILE A 23 29.459 18.714 15.606 1.00 0.00 H new ATOM 0 HA ILE A 23 30.199 21.371 15.124 1.00 0.00 H new ATOM 0 HB ILE A 23 30.105 19.663 17.614 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.222 21.387 18.102 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.416 21.929 16.447 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.403 21.757 18.948 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.855 21.392 17.986 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.725 22.657 17.447 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.620 20.236 16.609 1.00 0.00 H new ATOM 0 HD12 ILE A 23 27.970 19.622 15.624 1.00 0.00 H new ATOM 0 HD13 ILE A 23 27.772 19.071 17.304 1.00 0.00 H new ATOM 372 N GLU A 24 32.744 19.472 16.053 1.00 0.00 N ATOM 373 CA GLU A 24 34.234 19.445 16.103 1.00 0.00 C ATOM 374 C GLU A 24 34.796 19.784 14.721 1.00 0.00 C ATOM 375 O GLU A 24 35.757 20.516 14.594 1.00 0.00 O ATOM 376 CB GLU A 24 34.708 18.046 16.503 1.00 0.00 C ATOM 377 CG GLU A 24 34.234 17.726 17.921 1.00 0.00 C ATOM 378 CD GLU A 24 34.733 16.336 18.323 1.00 0.00 C ATOM 379 OE1 GLU A 24 35.046 15.561 17.434 1.00 0.00 O ATOM 380 OE2 GLU A 24 34.794 16.070 19.512 1.00 0.00 O ATOM 0 H GLU A 24 32.287 18.589 16.281 1.00 0.00 H new ATOM 0 HA GLU A 24 34.583 20.175 16.834 1.00 0.00 H new ATOM 0 HB2 GLU A 24 34.319 17.306 15.804 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.795 17.992 16.452 1.00 0.00 H new ATOM 0 HG2 GLU A 24 34.609 18.475 18.619 1.00 0.00 H new ATOM 0 HG3 GLU A 24 33.146 17.762 17.969 1.00 0.00 H new ATOM 387 N ASN A 25 34.197 19.267 13.684 1.00 0.00 N ATOM 388 CA ASN A 25 34.696 19.564 12.310 1.00 0.00 C ATOM 389 C ASN A 25 34.377 21.017 11.958 1.00 0.00 C ATOM 390 O ASN A 25 35.140 21.685 11.286 1.00 0.00 O ATOM 391 CB ASN A 25 34.012 18.640 11.300 1.00 0.00 C ATOM 392 CG ASN A 25 34.695 18.781 9.940 1.00 0.00 C ATOM 393 OD1 ASN A 25 34.582 19.903 9.282 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 35.341 17.865 9.472 1.00 0.00 N flip ATOM 0 H ASN A 25 33.384 18.652 13.728 1.00 0.00 H new ATOM 0 HA ASN A 25 35.774 19.403 12.276 1.00 0.00 H new ATOM 0 HB2 ASN A 25 34.066 17.606 11.641 1.00 0.00 H new ATOM 0 HB3 ASN A 25 32.955 18.893 11.217 1.00 0.00 H new ATOM 0 HD21 ASN A 25 35.429 16.988 9.986 1.00 0.00 H new ATOM 0 HD22 ASN A 25 35.795 17.972 8.565 1.00 0.00 H new ATOM 401 N VAL A 26 33.253 21.508 12.401 1.00 0.00 N ATOM 402 CA VAL A 26 32.882 22.914 12.087 1.00 0.00 C ATOM 403 C VAL A 26 33.805 23.866 12.850 1.00 0.00 C ATOM 404 O VAL A 26 34.182 24.910 12.352 1.00 0.00 O ATOM 405 CB VAL A 26 31.427 23.170 12.489 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.044 24.605 12.131 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.508 22.207 11.734 1.00 0.00 C ATOM 0 H VAL A 26 32.576 20.996 12.967 1.00 0.00 H new ATOM 0 HA VAL A 26 32.990 23.085 11.016 1.00 0.00 H new ATOM 0 HB VAL A 26 31.320 23.015 13.563 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.008 24.787 12.417 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.695 25.299 12.663 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.155 24.754 11.057 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.473 22.391 12.022 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.620 22.363 10.661 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.776 21.180 11.981 1.00 0.00 H new ATOM 417 N LYS A 27 34.187 23.518 14.052 1.00 0.00 N ATOM 418 CA LYS A 27 35.095 24.407 14.830 1.00 0.00 C ATOM 419 C LYS A 27 36.464 24.377 14.164 1.00 0.00 C ATOM 420 O LYS A 27 37.203 25.341 14.173 1.00 0.00 O ATOM 421 CB LYS A 27 35.205 23.884 16.267 1.00 0.00 C ATOM 422 CG LYS A 27 33.974 24.310 17.072 1.00 0.00 C ATOM 423 CD LYS A 27 34.088 23.770 18.500 1.00 0.00 C ATOM 424 CE LYS A 27 33.079 24.481 19.406 1.00 0.00 C ATOM 425 NZ LYS A 27 31.697 24.108 18.999 1.00 0.00 N ATOM 0 H LYS A 27 33.909 22.658 14.526 1.00 0.00 H new ATOM 0 HA LYS A 27 34.710 25.427 14.854 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.289 22.797 16.262 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.109 24.272 16.736 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.895 25.397 17.088 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.068 23.931 16.599 1.00 0.00 H new ATOM 0 HD2 LYS A 27 33.904 22.696 18.508 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.099 23.923 18.877 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.250 24.204 20.446 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.211 25.561 19.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.071 24.933 19.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.700 23.793 18.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.352 23.337 19.606 1.00 0.00 H new ATOM 439 N ALA A 28 36.787 23.269 13.565 1.00 0.00 N ATOM 440 CA ALA A 28 38.087 23.146 12.866 1.00 0.00 C ATOM 441 C ALA A 28 38.115 24.168 11.727 1.00 0.00 C ATOM 442 O ALA A 28 39.044 24.938 11.583 1.00 0.00 O ATOM 443 CB ALA A 28 38.195 21.725 12.309 1.00 0.00 C ATOM 0 H ALA A 28 36.199 22.436 13.531 1.00 0.00 H new ATOM 0 HA ALA A 28 38.923 23.334 13.540 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.146 21.609 11.789 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.140 21.008 13.128 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.376 21.544 11.613 1.00 0.00 H new ATOM 449 N LYS A 29 37.089 24.170 10.922 1.00 0.00 N ATOM 450 CA LYS A 29 37.022 25.130 9.791 1.00 0.00 C ATOM 451 C LYS A 29 37.227 26.547 10.332 1.00 0.00 C ATOM 452 O LYS A 29 37.949 27.342 9.762 1.00 0.00 O ATOM 453 CB LYS A 29 35.645 25.036 9.123 1.00 0.00 C ATOM 454 CG LYS A 29 35.374 23.593 8.651 1.00 0.00 C ATOM 455 CD LYS A 29 35.994 23.353 7.260 1.00 0.00 C ATOM 456 CE LYS A 29 35.022 23.800 6.161 1.00 0.00 C ATOM 457 NZ LYS A 29 33.781 22.977 6.232 1.00 0.00 N ATOM 0 H LYS A 29 36.289 23.542 11.002 1.00 0.00 H new ATOM 0 HA LYS A 29 37.796 24.895 9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 29 34.871 25.347 9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.598 25.718 8.274 1.00 0.00 H new ATOM 0 HG2 LYS A 29 35.791 22.886 9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.300 23.413 8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.931 23.903 7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.232 22.296 7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.779 24.856 6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.488 23.691 5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 33.397 22.845 5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 34.003 22.050 6.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 33.076 23.462 6.824 1.00 0.00 H new ATOM 471 N ILE A 30 36.595 26.869 11.428 1.00 0.00 N ATOM 472 CA ILE A 30 36.752 28.234 12.006 1.00 0.00 C ATOM 473 C ILE A 30 38.218 28.467 12.377 1.00 0.00 C ATOM 474 O ILE A 30 38.778 29.504 12.095 1.00 0.00 O ATOM 475 CB ILE A 30 35.883 28.361 13.266 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.384 28.306 12.884 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.205 29.683 13.988 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.864 29.690 12.457 1.00 0.00 C ATOM 0 H ILE A 30 35.977 26.246 11.948 1.00 0.00 H new ATOM 0 HA ILE A 30 36.439 28.975 11.271 1.00 0.00 H new ATOM 0 HB ILE A 30 36.100 27.530 13.938 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.240 27.594 12.071 1.00 0.00 H new ATOM 0 HG13 ILE A 30 33.804 27.943 13.732 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.587 29.770 14.881 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.257 29.695 14.272 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.999 30.521 13.322 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.808 29.617 12.195 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.986 30.394 13.280 1.00 0.00 H new ATOM 0 HD13 ILE A 30 34.429 30.040 11.593 1.00 0.00 H new ATOM 490 N GLN A 31 38.837 27.519 13.023 1.00 0.00 N ATOM 491 CA GLN A 31 40.262 27.695 13.427 1.00 0.00 C ATOM 492 C GLN A 31 41.142 27.847 12.184 1.00 0.00 C ATOM 493 O GLN A 31 42.039 28.666 12.141 1.00 0.00 O ATOM 494 CB GLN A 31 40.712 26.463 14.215 1.00 0.00 C ATOM 495 CG GLN A 31 42.098 26.713 14.815 1.00 0.00 C ATOM 496 CD GLN A 31 42.506 25.512 15.671 1.00 0.00 C ATOM 497 OE1 GLN A 31 41.741 24.583 15.839 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.689 25.490 16.222 1.00 0.00 N ATOM 0 H GLN A 31 38.418 26.628 13.290 1.00 0.00 H new ATOM 0 HA GLN A 31 40.356 28.589 14.043 1.00 0.00 H new ATOM 0 HB2 GLN A 31 39.996 26.245 15.007 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.740 25.591 13.561 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.827 26.872 14.020 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.086 27.618 15.422 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.332 26.269 16.081 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.971 24.693 16.793 1.00 0.00 H new ATOM 507 N ASP A 32 40.906 27.048 11.185 1.00 0.00 N ATOM 508 CA ASP A 32 41.740 27.114 9.948 1.00 0.00 C ATOM 509 C ASP A 32 41.639 28.493 9.282 1.00 0.00 C ATOM 510 O ASP A 32 42.580 28.956 8.667 1.00 0.00 O ATOM 511 CB ASP A 32 41.258 26.047 8.964 1.00 0.00 C ATOM 512 CG ASP A 32 41.630 24.660 9.490 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.649 24.552 10.150 1.00 0.00 O ATOM 514 OD2 ASP A 32 40.886 23.729 9.225 1.00 0.00 O ATOM 0 H ASP A 32 40.167 26.346 11.168 1.00 0.00 H new ATOM 0 HA ASP A 32 42.780 26.941 10.224 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.178 26.120 8.833 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.710 26.209 7.985 1.00 0.00 H new ATOM 519 N LYS A 33 40.506 29.147 9.369 1.00 0.00 N ATOM 520 CA LYS A 33 40.357 30.485 8.704 1.00 0.00 C ATOM 521 C LYS A 33 40.594 31.628 9.700 1.00 0.00 C ATOM 522 O LYS A 33 41.206 32.624 9.369 1.00 0.00 O ATOM 523 CB LYS A 33 38.943 30.604 8.126 1.00 0.00 C ATOM 524 CG LYS A 33 38.682 29.462 7.130 1.00 0.00 C ATOM 525 CD LYS A 33 39.361 29.758 5.784 1.00 0.00 C ATOM 526 CE LYS A 33 38.885 28.746 4.741 1.00 0.00 C ATOM 527 NZ LYS A 33 39.589 28.998 3.451 1.00 0.00 N ATOM 0 H LYS A 33 39.680 28.816 9.868 1.00 0.00 H new ATOM 0 HA LYS A 33 41.100 30.561 7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.209 30.570 8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.825 31.566 7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.060 28.524 7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.609 29.337 6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 33 39.123 30.771 5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 33 40.444 29.704 5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 33 39.085 27.731 5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.807 28.829 4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.267 28.311 2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.377 29.962 3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 40.615 28.897 3.590 1.00 0.00 H new ATOM 541 N GLU A 34 40.112 31.511 10.907 1.00 0.00 N ATOM 542 CA GLU A 34 40.312 32.612 11.900 1.00 0.00 C ATOM 543 C GLU A 34 41.641 32.410 12.632 1.00 0.00 C ATOM 544 O GLU A 34 42.218 33.340 13.159 1.00 0.00 O ATOM 545 CB GLU A 34 39.155 32.607 12.900 1.00 0.00 C ATOM 546 CG GLU A 34 37.850 32.904 12.155 1.00 0.00 C ATOM 547 CD GLU A 34 36.728 33.163 13.162 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.014 33.720 14.209 1.00 0.00 O ATOM 549 OE2 GLU A 34 35.600 32.804 12.867 1.00 0.00 O ATOM 0 H GLU A 34 39.590 30.705 11.251 1.00 0.00 H new ATOM 0 HA GLU A 34 40.336 33.572 11.384 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.092 31.640 13.398 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.324 33.354 13.675 1.00 0.00 H new ATOM 0 HG2 GLU A 34 37.979 33.772 11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.588 32.064 11.512 1.00 0.00 H new ATOM 556 N GLY A 35 42.141 31.206 12.647 1.00 0.00 N ATOM 557 CA GLY A 35 43.446 30.943 13.317 1.00 0.00 C ATOM 558 C GLY A 35 43.305 31.015 14.842 1.00 0.00 C ATOM 559 O GLY A 35 44.272 30.871 15.562 1.00 0.00 O ATOM 0 H GLY A 35 41.701 30.390 12.223 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.815 29.959 13.028 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.184 31.671 12.982 1.00 0.00 H new ATOM 563 N ILE A 36 42.119 31.233 15.348 1.00 0.00 N ATOM 564 CA ILE A 36 41.947 31.306 16.834 1.00 0.00 C ATOM 565 C ILE A 36 41.617 29.896 17.360 1.00 0.00 C ATOM 566 O ILE A 36 40.799 29.211 16.781 1.00 0.00 O ATOM 567 CB ILE A 36 40.793 32.259 17.158 1.00 0.00 C ATOM 568 CG1 ILE A 36 41.014 33.587 16.425 1.00 0.00 C ATOM 569 CG2 ILE A 36 40.738 32.512 18.667 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.842 34.530 16.701 1.00 0.00 C ATOM 0 H ILE A 36 41.266 31.363 14.803 1.00 0.00 H new ATOM 0 HA ILE A 36 42.860 31.672 17.304 1.00 0.00 H new ATOM 0 HB ILE A 36 39.853 31.812 16.835 1.00 0.00 H new ATOM 0 HG12 ILE A 36 41.947 34.045 16.755 1.00 0.00 H new ATOM 0 HG13 ILE A 36 41.107 33.411 15.353 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.915 33.191 18.892 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.583 31.568 19.189 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.677 32.958 18.996 1.00 0.00 H new ATOM 0 HD11 ILE A 36 40.003 35.473 16.178 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.917 34.073 16.349 1.00 0.00 H new ATOM 0 HD13 ILE A 36 39.770 34.717 17.772 1.00 0.00 H new ATOM 582 N PRO A 37 42.240 29.441 18.431 1.00 0.00 N ATOM 583 CA PRO A 37 41.959 28.075 18.969 1.00 0.00 C ATOM 584 C PRO A 37 40.547 27.981 19.594 1.00 0.00 C ATOM 585 O PRO A 37 40.177 28.820 20.391 1.00 0.00 O ATOM 586 CB PRO A 37 43.045 27.879 20.043 1.00 0.00 C ATOM 587 CG PRO A 37 43.410 29.260 20.479 1.00 0.00 C ATOM 588 CD PRO A 37 43.254 30.147 19.243 1.00 0.00 C ATOM 0 HA PRO A 37 41.979 27.313 18.190 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.672 27.287 20.879 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.909 27.351 19.639 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.761 29.599 21.287 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.432 29.293 20.856 1.00 0.00 H new ATOM 0 HD2 PRO A 37 42.925 31.151 19.510 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.196 30.253 18.704 1.00 0.00 H new ATOM 596 N PRO A 38 39.759 26.975 19.257 1.00 0.00 N ATOM 597 CA PRO A 38 38.388 26.804 19.833 1.00 0.00 C ATOM 598 C PRO A 38 38.329 26.996 21.354 1.00 0.00 C ATOM 599 O PRO A 38 37.271 27.205 21.915 1.00 0.00 O ATOM 600 CB PRO A 38 38.033 25.367 19.473 1.00 0.00 C ATOM 601 CG PRO A 38 38.719 25.151 18.179 1.00 0.00 C ATOM 602 CD PRO A 38 40.050 25.896 18.287 1.00 0.00 C ATOM 0 HA PRO A 38 37.702 27.554 19.439 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.380 24.666 20.232 1.00 0.00 H new ATOM 0 HB3 PRO A 38 36.955 25.231 19.383 1.00 0.00 H new ATOM 0 HG2 PRO A 38 38.879 24.089 17.993 1.00 0.00 H new ATOM 0 HG3 PRO A 38 38.122 25.533 17.351 1.00 0.00 H new ATOM 0 HD2 PRO A 38 40.849 25.243 18.639 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.366 26.296 17.324 1.00 0.00 H new ATOM 610 N ASP A 39 39.440 26.901 22.034 1.00 0.00 N ATOM 611 CA ASP A 39 39.421 27.054 23.519 1.00 0.00 C ATOM 612 C ASP A 39 39.216 28.521 23.907 1.00 0.00 C ATOM 613 O ASP A 39 39.020 28.836 25.065 1.00 0.00 O ATOM 614 CB ASP A 39 40.757 26.562 24.085 1.00 0.00 C ATOM 615 CG ASP A 39 40.700 26.567 25.614 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.905 25.821 26.159 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.456 27.315 26.212 1.00 0.00 O ATOM 0 H ASP A 39 40.359 26.724 21.627 1.00 0.00 H new ATOM 0 HA ASP A 39 38.597 26.468 23.927 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.969 25.556 23.722 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.568 27.203 23.739 1.00 0.00 H new ATOM 622 N GLN A 40 39.261 29.421 22.956 1.00 0.00 N ATOM 623 CA GLN A 40 39.076 30.877 23.269 1.00 0.00 C ATOM 624 C GLN A 40 37.723 31.358 22.737 1.00 0.00 C ATOM 625 O GLN A 40 37.194 32.355 23.190 1.00 0.00 O ATOM 626 CB GLN A 40 40.185 31.686 22.589 1.00 0.00 C ATOM 627 CG GLN A 40 41.495 31.536 23.366 1.00 0.00 C ATOM 628 CD GLN A 40 42.557 32.442 22.740 1.00 0.00 C ATOM 629 OE1 GLN A 40 42.934 32.257 21.599 1.00 0.00 O ATOM 630 NE2 GLN A 40 43.053 33.425 23.439 1.00 0.00 N ATOM 0 H GLN A 40 39.419 29.211 21.970 1.00 0.00 H new ATOM 0 HA GLN A 40 39.115 31.015 24.349 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.320 31.343 21.563 1.00 0.00 H new ATOM 0 HB3 GLN A 40 39.901 32.737 22.539 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.344 31.802 24.412 1.00 0.00 H new ATOM 0 HG3 GLN A 40 41.827 30.498 23.346 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.737 33.580 24.396 1.00 0.00 H new ATOM 0 HE22 GLN A 40 43.757 34.038 23.028 1.00 0.00 H new ATOM 639 N GLN A 41 37.174 30.674 21.765 1.00 0.00 N ATOM 640 CA GLN A 41 35.866 31.103 21.179 1.00 0.00 C ATOM 641 C GLN A 41 34.738 30.166 21.612 1.00 0.00 C ATOM 642 O GLN A 41 34.903 28.966 21.708 1.00 0.00 O ATOM 643 CB GLN A 41 35.967 31.062 19.651 1.00 0.00 C ATOM 644 CG GLN A 41 36.998 32.082 19.171 1.00 0.00 C ATOM 645 CD GLN A 41 37.102 32.007 17.647 1.00 0.00 C ATOM 646 OE1 GLN A 41 37.495 30.995 17.103 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.758 33.041 16.929 1.00 0.00 N ATOM 0 H GLN A 41 37.576 29.834 21.350 1.00 0.00 H new ATOM 0 HA GLN A 41 35.646 32.111 21.530 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.252 30.062 19.323 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.995 31.278 19.208 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.706 33.086 19.479 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.968 31.879 19.625 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.428 33.891 17.385 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.819 32.999 15.912 1.00 0.00 H new ATOM 656 N ARG A 42 33.578 30.725 21.836 1.00 0.00 N ATOM 657 CA ARG A 42 32.378 29.917 22.216 1.00 0.00 C ATOM 658 C ARG A 42 31.269 30.215 21.197 1.00 0.00 C ATOM 659 O ARG A 42 30.913 31.358 20.986 1.00 0.00 O ATOM 660 CB ARG A 42 31.885 30.335 23.598 1.00 0.00 C ATOM 661 CG ARG A 42 32.763 29.729 24.690 1.00 0.00 C ATOM 662 CD ARG A 42 32.062 29.913 26.038 1.00 0.00 C ATOM 663 NE ARG A 42 32.708 29.051 27.069 1.00 0.00 N ATOM 664 CZ ARG A 42 31.999 28.591 28.061 1.00 0.00 C ATOM 665 NH1 ARG A 42 32.508 27.722 28.897 1.00 0.00 N ATOM 666 NH2 ARG A 42 30.789 29.042 28.254 1.00 0.00 N ATOM 0 H ARG A 42 33.407 31.728 21.770 1.00 0.00 H new ATOM 0 HA ARG A 42 32.634 28.857 22.229 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.893 31.422 23.679 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.853 30.013 23.734 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.934 28.671 24.494 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.740 30.213 24.702 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.111 30.958 26.343 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.007 29.657 25.947 1.00 0.00 H new ATOM 0 HE ARG A 42 33.700 28.823 26.998 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.468 27.399 28.775 1.00 0.00 H new ATOM 0 HH12 ARG A 42 31.945 27.368 29.670 1.00 0.00 H new ATOM 0 HH21 ARG A 42 30.403 29.751 27.630 1.00 0.00 H new ATOM 0 HH22 ARG A 42 30.229 28.686 29.029 1.00 0.00 H new ATOM 680 N LEU A 43 30.721 29.220 20.549 1.00 0.00 N ATOM 681 CA LEU A 43 29.646 29.487 19.542 1.00 0.00 C ATOM 682 C LEU A 43 28.267 29.368 20.202 1.00 0.00 C ATOM 683 O LEU A 43 27.903 28.329 20.725 1.00 0.00 O ATOM 684 CB LEU A 43 29.766 28.460 18.411 1.00 0.00 C ATOM 685 CG LEU A 43 31.237 28.305 18.024 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.353 27.372 16.821 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.826 29.675 17.670 1.00 0.00 C ATOM 0 H LEU A 43 30.968 28.238 20.671 1.00 0.00 H new ATOM 0 HA LEU A 43 29.758 30.496 19.144 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.359 27.501 18.731 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.183 28.782 17.548 1.00 0.00 H new ATOM 0 HG LEU A 43 31.788 27.883 18.865 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.402 27.262 16.546 1.00 0.00 H new ATOM 0 HD12 LEU A 43 30.941 26.396 17.076 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.799 27.791 15.981 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.874 29.560 17.395 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.275 30.102 16.832 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.748 30.338 18.531 1.00 0.00 H new ATOM 699 N ILE A 44 27.489 30.427 20.156 1.00 0.00 N ATOM 700 CA ILE A 44 26.117 30.404 20.759 1.00 0.00 C ATOM 701 C ILE A 44 25.079 30.492 19.641 1.00 0.00 C ATOM 702 O ILE A 44 25.143 31.350 18.781 1.00 0.00 O ATOM 703 CB ILE A 44 25.951 31.611 21.690 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.093 31.640 22.716 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.605 31.522 22.412 1.00 0.00 C ATOM 706 CD1 ILE A 44 27.187 30.296 23.447 1.00 0.00 C ATOM 0 H ILE A 44 27.750 31.313 19.723 1.00 0.00 H new ATOM 0 HA ILE A 44 25.980 29.482 21.324 1.00 0.00 H new ATOM 0 HB ILE A 44 25.982 32.527 21.100 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.036 31.855 22.214 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.924 32.442 23.435 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.489 32.381 23.073 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.798 31.517 21.679 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.567 30.604 22.999 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.001 30.332 24.171 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.249 30.097 23.965 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.378 29.502 22.725 1.00 0.00 H new ATOM 718 N PHE A 45 24.113 29.612 19.647 1.00 0.00 N ATOM 719 CA PHE A 45 23.061 29.642 18.590 1.00 0.00 C ATOM 720 C PHE A 45 21.738 29.175 19.195 1.00 0.00 C ATOM 721 O PHE A 45 21.696 28.255 19.987 1.00 0.00 O ATOM 722 CB PHE A 45 23.454 28.714 17.436 1.00 0.00 C ATOM 723 CG PHE A 45 22.312 28.632 16.450 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.109 29.665 15.528 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.451 27.528 16.465 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.047 29.593 14.619 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.389 27.456 15.556 1.00 0.00 C ATOM 728 CZ PHE A 45 20.187 28.488 14.633 1.00 0.00 C ATOM 0 H PHE A 45 24.007 28.872 20.341 1.00 0.00 H new ATOM 0 HA PHE A 45 22.956 30.657 18.207 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.350 29.089 16.942 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.692 27.721 17.818 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.772 30.518 15.518 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.606 26.732 17.178 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.891 30.390 13.907 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.726 26.604 15.567 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.368 28.432 13.931 1.00 0.00 H new ATOM 738 N ALA A 46 20.661 29.810 18.831 1.00 0.00 N ATOM 739 CA ALA A 46 19.339 29.413 19.386 1.00 0.00 C ATOM 740 C ALA A 46 19.390 29.484 20.915 1.00 0.00 C ATOM 741 O ALA A 46 18.436 29.152 21.593 1.00 0.00 O ATOM 742 CB ALA A 46 19.008 27.984 18.948 1.00 0.00 C ATOM 0 H ALA A 46 20.639 30.588 18.172 1.00 0.00 H new ATOM 0 HA ALA A 46 18.569 30.090 19.016 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.039 27.694 19.355 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.973 27.936 17.860 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.775 27.303 19.317 1.00 0.00 H new ATOM 748 N GLY A 47 20.494 29.921 21.466 1.00 0.00 N ATOM 749 CA GLY A 47 20.608 30.025 22.952 1.00 0.00 C ATOM 750 C GLY A 47 21.299 28.781 23.520 1.00 0.00 C ATOM 751 O GLY A 47 21.185 28.495 24.696 1.00 0.00 O ATOM 0 H GLY A 47 21.324 30.211 20.949 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.174 30.918 23.219 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.617 30.132 23.393 1.00 0.00 H new ATOM 755 N LYS A 48 22.025 28.042 22.707 1.00 0.00 N ATOM 756 CA LYS A 48 22.736 26.820 23.218 1.00 0.00 C ATOM 757 C LYS A 48 24.202 26.880 22.824 1.00 0.00 C ATOM 758 O LYS A 48 24.575 27.446 21.816 1.00 0.00 O ATOM 759 CB LYS A 48 22.138 25.529 22.614 1.00 0.00 C ATOM 760 CG LYS A 48 20.840 25.138 23.344 1.00 0.00 C ATOM 761 CD LYS A 48 19.639 25.849 22.707 1.00 0.00 C ATOM 762 CE LYS A 48 18.440 25.789 23.655 1.00 0.00 C ATOM 763 NZ LYS A 48 18.724 26.604 24.870 1.00 0.00 N ATOM 0 H LYS A 48 22.155 28.232 21.713 1.00 0.00 H new ATOM 0 HA LYS A 48 22.621 26.801 24.302 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.934 25.678 21.554 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.862 24.717 22.688 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.699 24.058 23.297 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.913 25.405 24.398 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.892 26.887 22.491 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.387 25.378 21.757 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.548 26.164 23.154 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.237 24.756 23.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.885 25.973 25.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.572 27.184 24.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.913 27.224 25.069 1.00 0.00 H new ATOM 777 N GLN A 49 25.028 26.263 23.613 1.00 0.00 N ATOM 778 CA GLN A 49 26.479 26.225 23.308 1.00 0.00 C ATOM 779 C GLN A 49 26.750 24.985 22.470 1.00 0.00 C ATOM 780 O GLN A 49 26.596 23.868 22.924 1.00 0.00 O ATOM 781 CB GLN A 49 27.279 26.158 24.599 1.00 0.00 C ATOM 782 CG GLN A 49 26.732 27.197 25.574 1.00 0.00 C ATOM 783 CD GLN A 49 27.629 27.268 26.811 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.175 26.271 27.238 1.00 0.00 O ATOM 785 NE2 GLN A 49 27.800 28.415 27.410 1.00 0.00 N ATOM 0 H GLN A 49 24.756 25.777 24.468 1.00 0.00 H new ATOM 0 HA GLN A 49 26.774 27.123 22.765 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.211 25.161 25.033 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.334 26.347 24.399 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.685 28.173 25.091 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.715 26.936 25.865 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.341 29.252 27.050 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.393 28.475 28.238 1.00 0.00 H new ATOM 794 N LEU A 50 27.126 25.167 21.246 1.00 0.00 N ATOM 795 CA LEU A 50 27.379 23.988 20.368 1.00 0.00 C ATOM 796 C LEU A 50 28.322 23.010 21.070 1.00 0.00 C ATOM 797 O LEU A 50 29.455 23.333 21.369 1.00 0.00 O ATOM 798 CB LEU A 50 28.002 24.456 19.050 1.00 0.00 C ATOM 799 CG LEU A 50 27.197 25.631 18.483 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.714 25.971 17.082 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.711 25.256 18.400 1.00 0.00 C ATOM 0 H LEU A 50 27.271 26.077 20.808 1.00 0.00 H new ATOM 0 HA LEU A 50 26.435 23.483 20.161 1.00 0.00 H new ATOM 0 HB2 LEU A 50 29.037 24.757 19.213 1.00 0.00 H new ATOM 0 HB3 LEU A 50 28.018 23.635 18.333 1.00 0.00 H new ATOM 0 HG LEU A 50 27.312 26.494 19.138 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.143 26.806 16.676 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.767 26.245 17.140 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.600 25.104 16.432 1.00 0.00 H new ATOM 0 HD21 LEU A 50 25.146 26.096 17.996 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.590 24.391 17.749 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.340 25.015 19.396 1.00 0.00 H new ATOM 813 N GLU A 51 27.863 21.810 21.339 1.00 0.00 N ATOM 814 CA GLU A 51 28.726 20.801 22.024 1.00 0.00 C ATOM 815 C GLU A 51 29.457 19.951 20.982 1.00 0.00 C ATOM 816 O GLU A 51 29.230 20.070 19.795 1.00 0.00 O ATOM 817 CB GLU A 51 27.854 19.896 22.897 1.00 0.00 C ATOM 818 CG GLU A 51 27.145 20.735 23.964 1.00 0.00 C ATOM 819 CD GLU A 51 26.318 19.819 24.869 1.00 0.00 C ATOM 820 OE1 GLU A 51 26.288 18.627 24.604 1.00 0.00 O ATOM 821 OE2 GLU A 51 25.731 20.323 25.810 1.00 0.00 O ATOM 0 H GLU A 51 26.923 21.487 21.111 1.00 0.00 H new ATOM 0 HA GLU A 51 29.458 21.316 22.646 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.119 19.378 22.280 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.468 19.131 23.371 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.877 21.284 24.556 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.500 21.475 23.490 1.00 0.00 H new ATOM 828 N ASP A 52 30.349 19.105 21.423 1.00 0.00 N ATOM 829 CA ASP A 52 31.127 18.252 20.470 1.00 0.00 C ATOM 830 C ASP A 52 30.508 16.855 20.342 1.00 0.00 C ATOM 831 O ASP A 52 29.996 16.299 21.293 1.00 0.00 O ATOM 832 CB ASP A 52 32.557 18.109 20.997 1.00 0.00 C ATOM 833 CG ASP A 52 33.171 19.495 21.202 1.00 0.00 C ATOM 834 OD1 ASP A 52 32.848 20.123 22.196 1.00 0.00 O ATOM 835 OD2 ASP A 52 33.956 19.903 20.362 1.00 0.00 O ATOM 0 H ASP A 52 30.575 18.965 22.408 1.00 0.00 H new ATOM 0 HA ASP A 52 31.115 18.727 19.489 1.00 0.00 H new ATOM 0 HB2 ASP A 52 32.555 17.559 21.938 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.159 17.534 20.293 1.00 0.00 H new ATOM 840 N GLY A 53 30.592 16.268 19.169 1.00 0.00 N ATOM 841 CA GLY A 53 30.056 14.884 18.968 1.00 0.00 C ATOM 842 C GLY A 53 28.648 14.908 18.373 1.00 0.00 C ATOM 843 O GLY A 53 27.976 13.896 18.343 1.00 0.00 O ATOM 0 H GLY A 53 31.010 16.691 18.340 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.721 14.328 18.308 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.040 14.357 19.922 1.00 0.00 H new ATOM 847 N ARG A 54 28.172 16.043 17.920 1.00 0.00 N ATOM 848 CA ARG A 54 26.784 16.101 17.358 1.00 0.00 C ATOM 849 C ARG A 54 26.788 16.767 15.981 1.00 0.00 C ATOM 850 O ARG A 54 27.736 17.413 15.583 1.00 0.00 O ATOM 851 CB ARG A 54 25.910 16.813 18.396 1.00 0.00 C ATOM 852 CG ARG A 54 26.008 15.943 19.670 1.00 0.00 C ATOM 853 CD ARG A 54 25.012 16.319 20.766 1.00 0.00 C ATOM 854 NE ARG A 54 24.668 15.036 21.447 1.00 0.00 N ATOM 855 CZ ARG A 54 23.444 14.757 21.767 1.00 0.00 C ATOM 856 NH1 ARG A 54 23.099 13.516 21.915 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.588 15.694 22.027 1.00 0.00 N ATOM 0 H ARG A 54 28.680 16.927 17.915 1.00 0.00 H new ATOM 0 HA ARG A 54 26.371 15.108 17.183 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.266 17.826 18.582 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.879 16.895 18.053 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.852 14.900 19.396 1.00 0.00 H new ATOM 0 HG3 ARG A 54 27.018 16.020 20.072 1.00 0.00 H new ATOM 0 HD2 ARG A 54 25.449 17.031 21.467 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.124 16.791 20.345 1.00 0.00 H new ATOM 0 HE ARG A 54 25.408 14.369 21.664 1.00 0.00 H new ATOM 0 HH11 ARG A 54 23.787 12.776 21.780 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.139 13.280 22.167 1.00 0.00 H new ATOM 0 HH21 ARG A 54 22.873 16.672 21.982 1.00 0.00 H new ATOM 0 HH22 ARG A 54 21.629 15.453 22.277 1.00 0.00 H new ATOM 871 N THR A 55 25.753 16.551 15.212 1.00 0.00 N ATOM 872 CA THR A 55 25.708 17.109 13.830 1.00 0.00 C ATOM 873 C THR A 55 25.084 18.501 13.849 1.00 0.00 C ATOM 874 O THR A 55 24.217 18.791 14.648 1.00 0.00 O ATOM 875 CB THR A 55 24.861 16.179 12.953 1.00 0.00 C ATOM 876 OG1 THR A 55 23.645 15.878 13.624 1.00 0.00 O ATOM 877 CG2 THR A 55 25.631 14.881 12.686 1.00 0.00 C ATOM 0 H THR A 55 24.933 16.009 15.484 1.00 0.00 H new ATOM 0 HA THR A 55 26.720 17.183 13.431 1.00 0.00 H new ATOM 0 HB THR A 55 24.644 16.672 12.005 1.00 0.00 H new ATOM 0 HG1 THR A 55 22.890 16.223 13.103 1.00 0.00 H new ATOM 0 HG21 THR A 55 25.027 14.221 12.063 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.565 15.111 12.173 1.00 0.00 H new ATOM 0 HG23 THR A 55 25.849 14.386 13.632 1.00 0.00 H new ATOM 885 N LEU A 56 25.528 19.363 12.980 1.00 0.00 N ATOM 886 CA LEU A 56 24.973 20.744 12.946 1.00 0.00 C ATOM 887 C LEU A 56 23.452 20.684 12.776 1.00 0.00 C ATOM 888 O LEU A 56 22.731 21.562 13.206 1.00 0.00 O ATOM 889 CB LEU A 56 25.599 21.507 11.774 1.00 0.00 C ATOM 890 CG LEU A 56 25.297 23.003 11.902 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.185 23.646 12.988 1.00 0.00 C ATOM 892 CD2 LEU A 56 25.568 23.684 10.559 1.00 0.00 C ATOM 0 H LEU A 56 26.254 19.171 12.289 1.00 0.00 H new ATOM 0 HA LEU A 56 25.205 21.257 13.879 1.00 0.00 H new ATOM 0 HB2 LEU A 56 26.677 21.345 11.758 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.206 21.128 10.831 1.00 0.00 H new ATOM 0 HG LEU A 56 24.252 23.130 12.185 1.00 0.00 H new ATOM 0 HD11 LEU A 56 25.955 24.709 13.064 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.993 23.164 13.947 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.234 23.520 12.722 1.00 0.00 H new ATOM 0 HD21 LEU A 56 25.355 24.750 10.642 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.613 23.543 10.284 1.00 0.00 H new ATOM 0 HD23 LEU A 56 24.929 23.245 9.793 1.00 0.00 H new ATOM 904 N SER A 57 22.956 19.646 12.163 1.00 0.00 N ATOM 905 CA SER A 57 21.480 19.524 11.979 1.00 0.00 C ATOM 906 C SER A 57 20.825 19.228 13.333 1.00 0.00 C ATOM 907 O SER A 57 19.630 19.363 13.501 1.00 0.00 O ATOM 908 CB SER A 57 21.182 18.383 11.007 1.00 0.00 C ATOM 909 OG SER A 57 21.492 17.143 11.628 1.00 0.00 O ATOM 0 H SER A 57 23.507 18.877 11.781 1.00 0.00 H new ATOM 0 HA SER A 57 21.082 20.456 11.577 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.132 18.404 10.715 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.769 18.503 10.096 1.00 0.00 H new ATOM 0 HG SER A 57 21.300 16.409 11.007 1.00 0.00 H new ATOM 915 N ASP A 58 21.607 18.812 14.291 1.00 0.00 N ATOM 916 CA ASP A 58 21.044 18.490 15.633 1.00 0.00 C ATOM 917 C ASP A 58 20.432 19.750 16.244 1.00 0.00 C ATOM 918 O ASP A 58 19.665 19.682 17.184 1.00 0.00 O ATOM 919 CB ASP A 58 22.152 17.961 16.545 1.00 0.00 C ATOM 920 CG ASP A 58 21.534 17.440 17.844 1.00 0.00 C ATOM 921 OD1 ASP A 58 21.007 18.247 18.591 1.00 0.00 O ATOM 922 OD2 ASP A 58 21.599 16.242 18.068 1.00 0.00 O ATOM 0 H ASP A 58 22.615 18.681 14.202 1.00 0.00 H new ATOM 0 HA ASP A 58 20.273 17.727 15.528 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.700 17.163 16.044 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.869 18.753 16.762 1.00 0.00 H new ATOM 927 N TYR A 59 20.774 20.901 15.722 1.00 0.00 N ATOM 928 CA TYR A 59 20.228 22.182 16.272 1.00 0.00 C ATOM 929 C TYR A 59 19.155 22.751 15.335 1.00 0.00 C ATOM 930 O TYR A 59 18.724 23.875 15.498 1.00 0.00 O ATOM 931 CB TYR A 59 21.376 23.195 16.408 1.00 0.00 C ATOM 932 CG TYR A 59 22.080 22.998 17.733 1.00 0.00 C ATOM 933 CD1 TYR A 59 23.385 22.495 17.771 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.426 23.340 18.922 1.00 0.00 C ATOM 935 CE1 TYR A 59 24.033 22.331 19.003 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.073 23.170 20.151 1.00 0.00 C ATOM 937 CZ TYR A 59 23.376 22.668 20.190 1.00 0.00 C ATOM 938 OH TYR A 59 24.016 22.506 21.403 1.00 0.00 O ATOM 0 H TYR A 59 21.412 21.010 14.934 1.00 0.00 H new ATOM 0 HA TYR A 59 19.777 21.991 17.246 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.083 23.069 15.588 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.987 24.211 16.340 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.892 22.234 16.854 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.421 23.735 18.891 1.00 0.00 H new ATOM 0 HE1 TYR A 59 25.041 21.944 19.035 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.565 23.427 21.069 1.00 0.00 H new ATOM 0 HH TYR A 59 24.768 23.131 21.462 1.00 0.00 H new ATOM 948 N ASN A 60 18.713 22.006 14.359 1.00 0.00 N ATOM 949 CA ASN A 60 17.671 22.544 13.442 1.00 0.00 C ATOM 950 C ASN A 60 18.129 23.891 12.877 1.00 0.00 C ATOM 951 O ASN A 60 17.329 24.724 12.502 1.00 0.00 O ATOM 952 CB ASN A 60 16.362 22.732 14.211 1.00 0.00 C ATOM 953 CG ASN A 60 15.232 23.048 13.229 1.00 0.00 C ATOM 954 OD1 ASN A 60 14.997 24.195 12.905 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.518 22.072 12.737 1.00 0.00 N ATOM 0 H ASN A 60 19.026 21.056 14.158 1.00 0.00 H new ATOM 0 HA ASN A 60 17.514 21.843 12.622 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.126 21.829 14.774 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.466 23.541 14.934 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.763 22.273 12.081 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.715 21.109 13.009 1.00 0.00 H new ATOM 962 N ILE A 61 19.415 24.106 12.809 1.00 0.00 N ATOM 963 CA ILE A 61 19.934 25.394 12.265 1.00 0.00 C ATOM 964 C ILE A 61 19.293 25.643 10.890 1.00 0.00 C ATOM 965 O ILE A 61 18.626 24.787 10.343 1.00 0.00 O ATOM 966 CB ILE A 61 21.479 25.302 12.182 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.082 25.737 13.528 1.00 0.00 C ATOM 968 CG2 ILE A 61 22.051 26.200 11.074 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.557 25.330 13.611 1.00 0.00 C ATOM 0 H ILE A 61 20.131 23.443 13.108 1.00 0.00 H new ATOM 0 HA ILE A 61 19.678 26.235 12.909 1.00 0.00 H new ATOM 0 HB ILE A 61 21.738 24.269 11.950 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.990 26.817 13.643 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.526 25.281 14.347 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.137 26.104 11.052 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.640 25.896 10.111 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.783 27.238 11.272 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.968 25.646 14.570 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.641 24.247 13.519 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.112 25.807 12.804 1.00 0.00 H new ATOM 981 N GLN A 62 19.486 26.814 10.334 1.00 0.00 N ATOM 982 CA GLN A 62 18.887 27.134 8.998 1.00 0.00 C ATOM 983 C GLN A 62 19.904 27.903 8.147 1.00 0.00 C ATOM 984 O GLN A 62 20.662 28.715 8.641 1.00 0.00 O ATOM 985 CB GLN A 62 17.631 27.985 9.200 1.00 0.00 C ATOM 986 CG GLN A 62 16.633 27.209 10.062 1.00 0.00 C ATOM 987 CD GLN A 62 15.343 28.019 10.213 1.00 0.00 C ATOM 988 OE1 GLN A 62 15.227 28.838 11.103 1.00 0.00 O ATOM 989 NE2 GLN A 62 14.362 27.823 9.376 1.00 0.00 N ATOM 0 H GLN A 62 20.035 27.566 10.749 1.00 0.00 H new ATOM 0 HA GLN A 62 18.621 26.210 8.485 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.889 28.928 9.681 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.184 28.231 8.237 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.416 26.244 9.605 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.064 27.008 11.043 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.459 27.136 8.629 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.498 28.357 9.469 1.00 0.00 H new ATOM 998 N LYS A 63 19.933 27.637 6.871 1.00 0.00 N ATOM 999 CA LYS A 63 20.908 28.334 5.984 1.00 0.00 C ATOM 1000 C LYS A 63 20.716 29.851 6.057 1.00 0.00 C ATOM 1001 O LYS A 63 19.642 30.346 6.339 1.00 0.00 O ATOM 1002 CB LYS A 63 20.714 27.861 4.540 1.00 0.00 C ATOM 1003 CG LYS A 63 19.249 28.021 4.130 1.00 0.00 C ATOM 1004 CD LYS A 63 19.080 27.570 2.676 1.00 0.00 C ATOM 1005 CE LYS A 63 17.638 27.807 2.225 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.504 27.446 0.784 1.00 0.00 N ATOM 0 H LYS A 63 19.323 26.967 6.403 1.00 0.00 H new ATOM 0 HA LYS A 63 21.917 28.095 6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.353 28.438 3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.014 26.817 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.609 27.428 4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.940 29.061 4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.767 28.120 2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.331 26.514 2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.954 27.208 2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.365 28.851 2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.524 27.607 0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.146 28.036 0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.748 26.444 0.653 1.00 0.00 H new ATOM 1020 N GLU A 64 21.762 30.587 5.793 1.00 0.00 N ATOM 1021 CA GLU A 64 21.686 32.076 5.826 1.00 0.00 C ATOM 1022 C GLU A 64 21.391 32.569 7.248 1.00 0.00 C ATOM 1023 O GLU A 64 21.205 33.749 7.471 1.00 0.00 O ATOM 1024 CB GLU A 64 20.593 32.566 4.862 1.00 0.00 C ATOM 1025 CG GLU A 64 20.899 34.004 4.423 1.00 0.00 C ATOM 1026 CD GLU A 64 19.738 34.548 3.591 1.00 0.00 C ATOM 1027 OE1 GLU A 64 18.800 35.059 4.181 1.00 0.00 O ATOM 1028 OE2 GLU A 64 19.808 34.447 2.377 1.00 0.00 O ATOM 0 H GLU A 64 22.680 30.213 5.552 1.00 0.00 H new ATOM 0 HA GLU A 64 22.648 32.481 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.543 31.912 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.619 32.524 5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.059 34.635 5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 64 21.819 34.028 3.840 1.00 0.00 H new HETATM 1035 N SEP A 65 21.375 31.695 8.219 1.00 0.00 N HETATM 1036 CA SEP A 65 21.124 32.155 9.615 1.00 0.00 C HETATM 1037 CB SEP A 65 20.659 30.976 10.472 1.00 0.00 C HETATM 1038 OG SEP A 65 20.419 31.427 11.803 1.00 0.00 O HETATM 1039 C SEP A 65 22.435 32.712 10.170 1.00 0.00 C HETATM 1040 O SEP A 65 23.499 32.374 9.689 1.00 0.00 O HETATM 1041 P SEP A 65 19.053 32.022 12.190 1.00 0.00 P HETATM 1042 O1P SEP A 65 18.319 30.889 12.984 1.00 0.00 O HETATM 1043 O2P SEP A 65 19.383 33.279 13.065 1.00 0.00 O HETATM 1044 O3P SEP A 65 18.357 32.377 10.831 1.00 0.00 O HETATM 0 HB3 SEP A 65 19.751 30.543 10.053 1.00 0.00 H new HETATM 0 HB2 SEP A 65 21.415 30.191 10.472 1.00 0.00 H new HETATM 0 HA SEP A 65 20.349 32.922 9.629 1.00 0.00 H new HETATM 0 H SEP A 65 21.229 30.717 7.970 1.00 0.00 H new HETATM 1049 N TPO A 66 22.378 33.569 11.164 1.00 0.00 N HETATM 1050 CA TPO A 66 23.639 34.151 11.731 1.00 0.00 C HETATM 1051 CB TPO A 66 23.506 35.669 11.855 1.00 0.00 C HETATM 1052 CG2 TPO A 66 22.938 36.243 10.560 1.00 0.00 C HETATM 1053 OG1 TPO A 66 22.637 35.982 12.940 1.00 0.00 O HETATM 1054 P TPO A 66 22.842 37.271 13.756 1.00 0.00 P HETATM 1055 O1P TPO A 66 23.364 38.334 12.729 1.00 0.00 O HETATM 1056 O2P TPO A 66 21.432 37.619 14.345 1.00 0.00 O HETATM 1057 O3P TPO A 66 23.898 36.902 14.855 1.00 0.00 O HETATM 1058 C TPO A 66 23.919 33.571 13.117 1.00 0.00 C HETATM 1059 O TPO A 66 23.075 33.578 13.991 1.00 0.00 O HETATM 0 HG23 TPO A 66 23.607 36.005 9.733 1.00 0.00 H new HETATM 0 HG22 TPO A 66 21.957 35.809 10.369 1.00 0.00 H new HETATM 0 HG21 TPO A 66 22.844 37.325 10.652 1.00 0.00 H new HETATM 0 HB TPO A 66 24.488 36.105 12.040 1.00 0.00 H new HETATM 0 HA TPO A 66 24.460 33.902 11.058 1.00 0.00 H new HETATM 0 H TPO A 66 21.597 34.180 10.926 1.00 0.00 H new ATOM 1066 N LEU A 67 25.113 33.080 13.326 1.00 0.00 N ATOM 1067 CA LEU A 67 25.478 32.507 14.655 1.00 0.00 C ATOM 1068 C LEU A 67 26.180 33.590 15.477 1.00 0.00 C ATOM 1069 O LEU A 67 26.944 34.377 14.952 1.00 0.00 O ATOM 1070 CB LEU A 67 26.437 31.326 14.455 1.00 0.00 C ATOM 1071 CG LEU A 67 25.656 30.088 14.010 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.029 30.334 12.633 1.00 0.00 C ATOM 1073 CD2 LEU A 67 26.609 28.892 13.930 1.00 0.00 C ATOM 0 H LEU A 67 25.856 33.051 12.628 1.00 0.00 H new ATOM 0 HA LEU A 67 24.582 32.163 15.171 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.189 31.580 13.708 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.968 31.117 15.384 1.00 0.00 H new ATOM 0 HG LEU A 67 24.865 29.882 14.731 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.474 29.449 12.322 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.351 31.186 12.689 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.815 30.543 11.907 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.057 28.007 13.613 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.399 29.104 13.210 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.051 28.712 14.910 1.00 0.00 H new ATOM 1085 N HIS A 68 25.940 33.632 16.762 1.00 0.00 N ATOM 1086 CA HIS A 68 26.608 34.661 17.611 1.00 0.00 C ATOM 1087 C HIS A 68 27.918 34.085 18.133 1.00 0.00 C ATOM 1088 O HIS A 68 27.943 33.002 18.687 1.00 0.00 O ATOM 1089 CB HIS A 68 25.711 35.013 18.801 1.00 0.00 C ATOM 1090 CG HIS A 68 24.275 35.041 18.357 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.839 35.856 17.322 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.163 34.366 18.797 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.516 35.654 17.175 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.058 34.756 18.048 1.00 0.00 N ATOM 0 H HIS A 68 25.312 33.000 17.258 1.00 0.00 H new ATOM 0 HA HIS A 68 26.794 35.559 17.021 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.842 34.281 19.598 1.00 0.00 H new ATOM 0 HB3 HIS A 68 25.995 35.983 19.210 1.00 0.00 H new ATOM 0 HD1 HIS A 68 24.416 36.493 16.772 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.149 33.644 19.600 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.902 36.156 16.442 1.00 0.00 H new ATOM 1103 N LEU A 69 29.003 34.795 17.967 1.00 0.00 N ATOM 1104 CA LEU A 69 30.318 34.286 18.460 1.00 0.00 C ATOM 1105 C LEU A 69 30.800 35.144 19.624 1.00 0.00 C ATOM 1106 O LEU A 69 30.970 36.341 19.501 1.00 0.00 O ATOM 1107 CB LEU A 69 31.346 34.336 17.321 1.00 0.00 C ATOM 1108 CG LEU A 69 32.715 33.767 17.798 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.353 32.929 16.684 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.676 34.913 18.159 1.00 0.00 C ATOM 0 H LEU A 69 29.036 35.707 17.511 1.00 0.00 H new ATOM 0 HA LEU A 69 30.202 33.257 18.799 1.00 0.00 H new ATOM 0 HB2 LEU A 69 30.983 33.760 16.470 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.471 35.364 16.981 1.00 0.00 H new ATOM 0 HG LEU A 69 32.537 33.147 18.676 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.310 32.536 17.027 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.692 32.102 16.427 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.512 33.553 15.805 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.628 34.499 18.490 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.839 35.541 17.283 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.243 35.512 18.960 1.00 0.00 H new ATOM 1122 N VAL A 70 31.036 34.525 20.754 1.00 0.00 N ATOM 1123 CA VAL A 70 31.528 35.271 21.956 1.00 0.00 C ATOM 1124 C VAL A 70 32.880 34.690 22.368 1.00 0.00 C ATOM 1125 O VAL A 70 33.149 33.522 22.159 1.00 0.00 O ATOM 1126 CB VAL A 70 30.529 35.108 23.103 1.00 0.00 C ATOM 1127 CG1 VAL A 70 31.016 35.896 24.320 1.00 0.00 C ATOM 1128 CG2 VAL A 70 29.161 35.639 22.668 1.00 0.00 C ATOM 0 H VAL A 70 30.908 33.523 20.897 1.00 0.00 H new ATOM 0 HA VAL A 70 31.632 36.331 21.723 1.00 0.00 H new ATOM 0 HB VAL A 70 30.444 34.053 23.363 1.00 0.00 H new ATOM 0 HG11 VAL A 70 30.304 35.780 25.137 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.990 35.519 24.631 1.00 0.00 H new ATOM 0 HG13 VAL A 70 31.101 36.951 24.060 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.449 35.523 23.485 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.246 36.694 22.408 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.812 35.079 21.801 1.00 0.00 H new ATOM 1138 N LEU A 71 33.736 35.485 22.953 1.00 0.00 N ATOM 1139 CA LEU A 71 35.072 34.971 23.376 1.00 0.00 C ATOM 1140 C LEU A 71 35.031 34.649 24.872 1.00 0.00 C ATOM 1141 O LEU A 71 34.202 35.144 25.610 1.00 0.00 O ATOM 1142 CB LEU A 71 36.140 36.042 23.099 1.00 0.00 C ATOM 1143 CG LEU A 71 36.599 35.965 21.636 1.00 0.00 C ATOM 1144 CD1 LEU A 71 35.382 35.993 20.707 1.00 0.00 C ATOM 1145 CD2 LEU A 71 37.504 37.161 21.326 1.00 0.00 C ATOM 0 H LEU A 71 33.568 36.470 23.157 1.00 0.00 H new ATOM 0 HA LEU A 71 35.319 34.068 22.818 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.736 37.032 23.310 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.992 35.897 23.763 1.00 0.00 H new ATOM 0 HG LEU A 71 37.148 35.037 21.479 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.714 35.938 19.670 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.737 35.142 20.927 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.827 36.919 20.862 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.832 37.110 20.288 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.951 38.087 21.487 1.00 0.00 H new ATOM 0 HD23 LEU A 71 38.374 37.139 21.983 1.00 0.00 H new ATOM 1157 N ARG A 72 35.913 33.808 25.312 1.00 0.00 N ATOM 1158 CA ARG A 72 35.938 33.419 26.752 1.00 0.00 C ATOM 1159 C ARG A 72 36.214 34.669 27.603 1.00 0.00 C ATOM 1160 O ARG A 72 37.167 35.390 27.383 1.00 0.00 O ATOM 1161 CB ARG A 72 37.045 32.343 26.906 1.00 0.00 C ATOM 1162 CG ARG A 72 36.907 31.429 28.153 1.00 0.00 C ATOM 1163 CD ARG A 72 35.451 31.073 28.496 1.00 0.00 C ATOM 1164 NE ARG A 72 34.901 32.162 29.355 1.00 0.00 N ATOM 1165 CZ ARG A 72 34.076 31.896 30.325 1.00 0.00 C ATOM 1166 NH1 ARG A 72 33.707 32.831 31.146 1.00 0.00 N ATOM 1167 NH2 ARG A 72 33.592 30.710 30.458 1.00 0.00 N ATOM 0 H ARG A 72 36.628 33.365 24.735 1.00 0.00 H new ATOM 0 HA ARG A 72 34.988 33.006 27.091 1.00 0.00 H new ATOM 0 HB2 ARG A 72 37.047 31.716 26.014 1.00 0.00 H new ATOM 0 HB3 ARG A 72 38.013 32.843 26.947 1.00 0.00 H new ATOM 0 HG2 ARG A 72 37.467 30.509 27.983 1.00 0.00 H new ATOM 0 HG3 ARG A 72 37.362 31.926 29.010 1.00 0.00 H new ATOM 0 HD2 ARG A 72 34.859 30.969 27.586 1.00 0.00 H new ATOM 0 HD3 ARG A 72 35.405 30.117 29.017 1.00 0.00 H new ATOM 0 HE ARG A 72 35.176 33.128 29.179 1.00 0.00 H new ATOM 0 HH11 ARG A 72 34.064 33.780 31.032 1.00 0.00 H new ATOM 0 HH12 ARG A 72 33.060 32.617 31.905 1.00 0.00 H new ATOM 0 HH21 ARG A 72 33.855 29.975 29.801 1.00 0.00 H new ATOM 0 HH22 ARG A 72 32.945 30.506 31.220 1.00 0.00 H new ATOM 1181 N LEU A 73 35.358 34.942 28.559 1.00 0.00 N ATOM 1182 CA LEU A 73 35.528 36.156 29.414 1.00 0.00 C ATOM 1183 C LEU A 73 36.860 36.087 30.171 1.00 0.00 C ATOM 1184 O LEU A 73 37.466 35.040 30.296 1.00 0.00 O ATOM 1185 CB LEU A 73 34.366 36.244 30.420 1.00 0.00 C ATOM 1186 CG LEU A 73 33.106 36.820 29.753 1.00 0.00 C ATOM 1187 CD1 LEU A 73 32.740 36.005 28.508 1.00 0.00 C ATOM 1188 CD2 LEU A 73 31.944 36.757 30.748 1.00 0.00 C ATOM 0 H LEU A 73 34.544 34.371 28.784 1.00 0.00 H new ATOM 0 HA LEU A 73 35.528 37.041 28.778 1.00 0.00 H new ATOM 0 HB2 LEU A 73 34.150 35.253 30.820 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.656 36.872 31.263 1.00 0.00 H new ATOM 0 HG LEU A 73 33.300 37.851 29.458 1.00 0.00 H new ATOM 0 HD11 LEU A 73 31.846 36.426 28.048 1.00 0.00 H new ATOM 0 HD12 LEU A 73 33.565 36.038 27.796 1.00 0.00 H new ATOM 0 HD13 LEU A 73 32.549 34.971 28.794 1.00 0.00 H new ATOM 0 HD21 LEU A 73 31.045 37.163 30.284 1.00 0.00 H new ATOM 0 HD22 LEU A 73 31.767 35.721 31.035 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.191 37.342 31.634 1.00 0.00 H new ATOM 1200 N ARG A 74 37.309 37.203 30.685 1.00 0.00 N ATOM 1201 CA ARG A 74 38.593 37.233 31.450 1.00 0.00 C ATOM 1202 C ARG A 74 38.527 38.383 32.465 1.00 0.00 C ATOM 1203 O ARG A 74 37.677 39.244 32.373 1.00 0.00 O ATOM 1204 CB ARG A 74 39.774 37.449 30.483 1.00 0.00 C ATOM 1205 CG ARG A 74 39.551 38.706 29.631 1.00 0.00 C ATOM 1206 CD ARG A 74 40.884 39.222 29.077 1.00 0.00 C ATOM 1207 NE ARG A 74 41.697 38.095 28.549 1.00 0.00 N ATOM 1208 CZ ARG A 74 42.966 38.263 28.336 1.00 0.00 C ATOM 1209 NH1 ARG A 74 43.704 37.247 27.984 1.00 0.00 N ATOM 1210 NH2 ARG A 74 43.499 39.455 28.424 1.00 0.00 N ATOM 0 H ARG A 74 36.837 38.104 30.607 1.00 0.00 H new ATOM 0 HA ARG A 74 38.741 36.287 31.970 1.00 0.00 H new ATOM 0 HB2 ARG A 74 40.701 37.546 31.048 1.00 0.00 H new ATOM 0 HB3 ARG A 74 39.885 36.579 29.836 1.00 0.00 H new ATOM 0 HG2 ARG A 74 38.872 38.480 28.809 1.00 0.00 H new ATOM 0 HG3 ARG A 74 39.076 39.481 30.233 1.00 0.00 H new ATOM 0 HD2 ARG A 74 40.699 39.948 28.285 1.00 0.00 H new ATOM 0 HD3 ARG A 74 41.435 39.740 29.862 1.00 0.00 H new ATOM 0 HE ARG A 74 41.260 37.194 28.355 1.00 0.00 H new ATOM 0 HH11 ARG A 74 43.283 36.324 27.877 1.00 0.00 H new ATOM 0 HH12 ARG A 74 44.702 37.375 27.816 1.00 0.00 H new ATOM 0 HH21 ARG A 74 42.916 40.258 28.661 1.00 0.00 H new ATOM 0 HH22 ARG A 74 44.497 39.581 28.256 1.00 0.00 H new ATOM 1224 N GLY A 75 39.411 38.413 33.430 1.00 0.00 N ATOM 1225 CA GLY A 75 39.378 39.524 34.436 1.00 0.00 C ATOM 1226 C GLY A 75 39.939 39.033 35.772 1.00 0.00 C ATOM 1227 O GLY A 75 39.265 38.364 36.530 1.00 0.00 O ATOM 0 H GLY A 75 40.150 37.723 33.567 1.00 0.00 H new ATOM 0 HA2 GLY A 75 39.962 40.370 34.075 1.00 0.00 H new ATOM 0 HA3 GLY A 75 38.355 39.876 34.569 1.00 0.00 H new ATOM 1231 N GLY A 76 41.167 39.364 36.069 1.00 0.00 N ATOM 1232 CA GLY A 76 41.769 38.916 37.359 1.00 0.00 C ATOM 1233 C GLY A 76 43.231 39.365 37.426 1.00 0.00 C ATOM 1234 O GLY A 76 43.479 40.546 37.246 1.00 0.00 O ATOM 1235 OXT GLY A 76 44.079 38.518 37.658 1.00 0.00 O ATOM 0 H GLY A 76 41.779 39.924 35.476 1.00 0.00 H new ATOM 0 HA2 GLY A 76 41.211 39.334 38.197 1.00 0.00 H new ATOM 0 HA3 GLY A 76 41.707 37.831 37.444 1.00 0.00 H new TER 1239 GLY A 76