USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 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 Set 1.1: A 60 ASN : amide:sc= 0.031 K(o=-2.1,f=-0.61) USER MOD Set 1.2: A 62 GLN : amide:sc= -2.13! K(o=-2.1!,f=-0.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 2.17 (180deg=1.81) USER MOD Single : A 2 GLN : amide:sc= -0.0373 X(o=-0.037,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -48:sc= 0.959 USER MOD Single : A 9 THR OG1 : rot -101:sc= 0.0814 USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.18) USER MOD Single : A 12 THR OG1 : rot 48:sc= 0.144 USER MOD Single : A 14 THR OG1 : rot 43:sc= 0.0859 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.818 K(o=0.82,f=-1.6) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 1.06 (180deg=0.992) USER MOD Single : A 29 LYS NZ :NH3+ -107:sc= 1.66 (180deg=-1.13) USER MOD Single : A 31 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.61) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 41 GLN : amide:sc= 0.604 K(o=0.6,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.063 (180deg=-0.298) USER MOD Single : A 49 GLN : amide:sc= -0.501! X(o=-0.5!,f=-0.23) USER MOD Single : A 55 THR OG1 : rot -30:sc= 1.01 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.475 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 130:sc= 0.0423 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.302 31.407 16.200 1.00 0.00 N ATOM 2 CA MET A 1 14.080 31.469 17.652 1.00 0.00 C ATOM 3 C MET A 1 15.483 31.714 18.221 1.00 0.00 C ATOM 4 O MET A 1 16.501 31.353 17.643 1.00 0.00 O ATOM 5 CB MET A 1 13.455 30.233 18.288 1.00 0.00 C ATOM 6 CG MET A 1 11.948 30.077 18.061 1.00 0.00 C ATOM 7 SD MET A 1 11.460 29.352 16.475 1.00 0.00 S ATOM 8 CE MET A 1 9.670 29.546 16.632 1.00 0.00 C ATOM 0 H1 MET A 1 13.425 31.108 15.727 1.00 0.00 H new ATOM 0 H2 MET A 1 14.581 32.346 15.851 1.00 0.00 H new ATOM 0 H3 MET A 1 15.057 30.723 15.993 1.00 0.00 H new ATOM 0 HA MET A 1 13.347 32.244 17.875 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.959 29.349 17.898 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.644 30.261 19.361 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.541 29.459 18.862 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.483 31.059 18.148 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.182 29.153 15.740 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.320 29.000 17.508 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.427 30.603 16.742 1.00 0.00 H new ATOM 20 N GLN A 2 15.466 32.434 19.339 1.00 0.00 N ATOM 21 CA GLN A 2 16.727 32.885 19.894 1.00 0.00 C ATOM 22 C GLN A 2 17.271 31.850 20.883 1.00 0.00 C ATOM 23 O GLN A 2 16.501 31.517 21.783 1.00 0.00 O ATOM 24 CB GLN A 2 16.461 34.192 20.625 1.00 0.00 C ATOM 25 CG GLN A 2 17.646 34.792 21.391 1.00 0.00 C ATOM 26 CD GLN A 2 17.345 36.226 21.774 1.00 0.00 C ATOM 27 OE1 GLN A 2 16.596 36.530 22.705 1.00 0.00 O ATOM 28 NE2 GLN A 2 17.899 37.131 20.980 1.00 0.00 N ATOM 0 H GLN A 2 14.630 32.706 19.856 1.00 0.00 H new ATOM 0 HA GLN A 2 17.462 33.021 19.101 1.00 0.00 H new ATOM 0 HB2 GLN A 2 16.115 34.927 19.898 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.644 34.031 21.329 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.847 34.203 22.286 1.00 0.00 H new ATOM 0 HG3 GLN A 2 18.545 34.753 20.775 1.00 0.00 H new ATOM 0 HE21 GLN A 2 18.513 36.836 20.221 1.00 0.00 H new ATOM 0 HE22 GLN A 2 17.711 38.123 21.128 1.00 0.00 H new ATOM 37 N ILE A 3 18.499 31.322 20.872 1.00 0.00 N ATOM 38 CA ILE A 3 19.129 30.523 21.903 1.00 0.00 C ATOM 39 C ILE A 3 20.344 31.275 22.453 1.00 0.00 C ATOM 40 O ILE A 3 20.944 32.116 21.784 1.00 0.00 O ATOM 41 CB ILE A 3 19.468 29.078 21.542 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.568 28.832 20.511 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.165 28.322 21.230 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.941 28.519 21.126 1.00 0.00 C ATOM 0 H ILE A 3 19.119 31.459 20.074 1.00 0.00 H new ATOM 0 HA ILE A 3 18.369 30.396 22.674 1.00 0.00 H new ATOM 0 HB ILE A 3 19.951 28.671 22.430 1.00 0.00 H new ATOM 0 HG12 ILE A 3 20.271 28.003 19.869 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.658 29.712 19.874 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.397 27.289 20.971 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.516 28.340 22.105 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.658 28.801 20.392 1.00 0.00 H new ATOM 0 HD11 ILE A 3 22.668 28.357 20.330 1.00 0.00 H new ATOM 0 HD12 ILE A 3 22.262 29.357 21.745 1.00 0.00 H new ATOM 0 HD13 ILE A 3 21.869 27.621 21.740 1.00 0.00 H new ATOM 56 N PHE A 4 20.656 31.077 23.725 1.00 0.00 N ATOM 57 CA PHE A 4 21.665 31.809 24.458 1.00 0.00 C ATOM 58 C PHE A 4 22.864 30.874 24.625 1.00 0.00 C ATOM 59 O PHE A 4 22.742 29.851 25.289 1.00 0.00 O ATOM 60 CB PHE A 4 21.137 32.182 25.855 1.00 0.00 C ATOM 61 CG PHE A 4 20.212 33.369 25.876 1.00 0.00 C ATOM 62 CD1 PHE A 4 18.897 33.214 25.416 1.00 0.00 C ATOM 63 CD2 PHE A 4 20.709 34.511 26.512 1.00 0.00 C ATOM 64 CE1 PHE A 4 18.054 34.332 25.464 1.00 0.00 C ATOM 65 CE2 PHE A 4 19.825 35.601 26.550 1.00 0.00 C ATOM 66 CZ PHE A 4 18.537 35.518 26.017 1.00 0.00 C ATOM 0 H PHE A 4 20.190 30.370 24.294 1.00 0.00 H new ATOM 0 HA PHE A 4 21.933 32.722 23.926 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.614 31.322 26.273 1.00 0.00 H new ATOM 0 HB3 PHE A 4 21.986 32.387 26.508 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.546 32.265 25.038 1.00 0.00 H new ATOM 0 HD2 PHE A 4 21.699 34.551 26.942 1.00 0.00 H new ATOM 0 HE1 PHE A 4 17.046 34.276 25.079 1.00 0.00 H new ATOM 0 HE2 PHE A 4 20.149 36.526 27.003 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.901 36.391 26.033 1.00 0.00 H new ATOM 76 N VAL A 5 23.942 31.281 23.953 1.00 0.00 N ATOM 77 CA VAL A 5 25.197 30.627 24.239 1.00 0.00 C ATOM 78 C VAL A 5 25.768 31.611 25.276 1.00 0.00 C ATOM 79 O VAL A 5 25.965 32.790 24.987 1.00 0.00 O ATOM 80 CB VAL A 5 26.068 30.576 22.990 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.484 30.058 23.276 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.339 29.719 21.952 1.00 0.00 C ATOM 0 H VAL A 5 23.967 32.018 23.248 1.00 0.00 H new ATOM 0 HA VAL A 5 25.125 29.593 24.575 1.00 0.00 H new ATOM 0 HB VAL A 5 26.214 31.586 22.607 1.00 0.00 H new ATOM 0 HG11 VAL A 5 28.060 30.043 22.351 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.973 30.714 23.997 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.427 29.049 23.684 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.937 29.662 21.043 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.187 28.716 22.350 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.373 30.168 21.723 1.00 0.00 H new ATOM 92 N LYS A 6 25.926 31.104 26.497 1.00 0.00 N ATOM 93 CA LYS A 6 26.563 31.845 27.557 1.00 0.00 C ATOM 94 C LYS A 6 28.027 31.456 27.758 1.00 0.00 C ATOM 95 O LYS A 6 28.330 30.265 27.684 1.00 0.00 O ATOM 96 CB LYS A 6 25.829 31.620 28.883 1.00 0.00 C ATOM 97 CG LYS A 6 26.234 32.650 29.932 1.00 0.00 C ATOM 98 CD LYS A 6 25.262 32.478 31.097 1.00 0.00 C ATOM 99 CE LYS A 6 25.583 33.372 32.309 1.00 0.00 C ATOM 100 NZ LYS A 6 24.497 33.338 33.294 1.00 0.00 N ATOM 0 H LYS A 6 25.614 30.171 26.768 1.00 0.00 H new ATOM 0 HA LYS A 6 26.520 32.892 27.258 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.753 31.673 28.717 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.046 30.618 29.254 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.262 32.491 30.257 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.180 33.660 29.526 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.252 32.699 30.751 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.270 31.435 31.414 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.511 33.039 32.775 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.744 34.397 31.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 24.740 33.949 34.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.618 33.678 32.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 24.362 32.362 33.628 1.00 0.00 H new ATOM 114 N THR A 7 28.969 32.400 27.878 1.00 0.00 N ATOM 115 CA THR A 7 30.398 32.196 27.908 1.00 0.00 C ATOM 116 C THR A 7 30.853 32.786 29.249 1.00 0.00 C ATOM 117 O THR A 7 30.455 33.892 29.594 1.00 0.00 O ATOM 118 CB THR A 7 31.160 32.883 26.781 1.00 0.00 C ATOM 119 OG1 THR A 7 30.943 34.271 26.679 1.00 0.00 O ATOM 120 CG2 THR A 7 31.021 32.165 25.438 1.00 0.00 C ATOM 0 H THR A 7 28.723 33.386 27.961 1.00 0.00 H new ATOM 0 HA THR A 7 30.608 31.134 27.784 1.00 0.00 H new ATOM 0 HB THR A 7 32.205 32.792 27.077 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.981 34.455 26.713 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.586 32.703 24.677 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.408 31.150 25.527 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.970 32.129 25.152 1.00 0.00 H new ATOM 128 N LEU A 8 31.781 32.162 29.953 1.00 0.00 N ATOM 129 CA LEU A 8 32.460 32.640 31.137 1.00 0.00 C ATOM 130 C LEU A 8 33.266 33.898 30.806 1.00 0.00 C ATOM 131 O LEU A 8 33.075 34.914 31.473 1.00 0.00 O ATOM 132 CB LEU A 8 33.201 31.485 31.798 1.00 0.00 C ATOM 133 CG LEU A 8 32.332 30.244 32.025 1.00 0.00 C ATOM 134 CD1 LEU A 8 33.290 29.064 32.235 1.00 0.00 C ATOM 135 CD2 LEU A 8 31.219 30.357 33.062 1.00 0.00 C ATOM 0 H LEU A 8 32.103 31.232 29.686 1.00 0.00 H new ATOM 0 HA LEU A 8 31.765 32.981 31.905 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.055 31.211 31.178 1.00 0.00 H new ATOM 0 HB3 LEU A 8 33.597 31.820 32.757 1.00 0.00 H new ATOM 0 HG LEU A 8 31.718 30.091 31.137 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.715 28.153 32.401 1.00 0.00 H new ATOM 0 HD12 LEU A 8 33.916 28.941 31.351 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.921 29.258 33.102 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.682 29.411 33.124 1.00 0.00 H new ATOM 0 HD22 LEU A 8 31.651 30.593 34.035 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.528 31.148 32.770 1.00 0.00 H new ATOM 147 N THR A 9 33.903 33.855 29.639 1.00 0.00 N ATOM 148 CA THR A 9 34.653 34.979 29.123 1.00 0.00 C ATOM 149 C THR A 9 33.819 36.171 28.637 1.00 0.00 C ATOM 150 O THR A 9 34.381 37.193 28.239 1.00 0.00 O ATOM 151 CB THR A 9 35.424 34.302 28.000 1.00 0.00 C ATOM 152 OG1 THR A 9 34.648 33.519 27.127 1.00 0.00 O ATOM 153 CG2 THR A 9 36.566 33.441 28.532 1.00 0.00 C ATOM 0 H THR A 9 33.909 33.037 29.030 1.00 0.00 H new ATOM 0 HA THR A 9 35.260 35.465 29.886 1.00 0.00 H new ATOM 0 HB THR A 9 35.809 35.141 27.421 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.749 32.572 27.360 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.090 32.976 27.697 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.261 34.065 29.095 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.164 32.666 29.185 1.00 0.00 H new ATOM 161 N GLY A 10 32.519 36.141 28.892 1.00 0.00 N ATOM 162 CA GLY A 10 31.898 37.158 29.714 1.00 0.00 C ATOM 163 C GLY A 10 30.699 37.822 29.019 1.00 0.00 C ATOM 164 O GLY A 10 30.358 38.921 29.427 1.00 0.00 O ATOM 0 H GLY A 10 31.881 35.426 28.542 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.569 36.712 30.652 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.636 37.919 29.965 1.00 0.00 H new ATOM 168 N LYS A 11 30.106 37.246 27.983 1.00 0.00 N ATOM 169 CA LYS A 11 29.012 37.732 27.160 1.00 0.00 C ATOM 170 C LYS A 11 28.014 36.621 26.845 1.00 0.00 C ATOM 171 O LYS A 11 28.417 35.468 26.713 1.00 0.00 O ATOM 172 CB LYS A 11 29.613 38.428 25.937 1.00 0.00 C ATOM 173 CG LYS A 11 30.397 37.530 24.985 1.00 0.00 C ATOM 174 CD LYS A 11 31.159 38.217 23.848 1.00 0.00 C ATOM 175 CE LYS A 11 31.571 37.454 22.586 1.00 0.00 C ATOM 176 NZ LYS A 11 32.070 38.380 21.559 1.00 0.00 N ATOM 0 H LYS A 11 30.415 36.327 27.666 1.00 0.00 H new ATOM 0 HA LYS A 11 28.414 38.471 27.694 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.806 38.902 25.378 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.272 39.224 26.282 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.113 36.956 25.574 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.702 36.816 24.544 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.551 39.061 23.523 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.071 38.629 24.281 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.343 36.725 22.832 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.719 36.897 22.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.545 37.841 20.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.273 38.912 21.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.746 39.043 21.989 1.00 0.00 H new ATOM 190 N THR A 12 26.739 36.902 26.576 1.00 0.00 N ATOM 191 CA THR A 12 25.586 36.135 26.160 1.00 0.00 C ATOM 192 C THR A 12 25.377 36.290 24.653 1.00 0.00 C ATOM 193 O THR A 12 24.929 37.297 24.089 1.00 0.00 O ATOM 194 CB THR A 12 24.343 36.578 26.926 1.00 0.00 C ATOM 195 OG1 THR A 12 24.091 37.957 26.823 1.00 0.00 O ATOM 196 CG2 THR A 12 24.270 36.338 28.438 1.00 0.00 C ATOM 0 H THR A 12 26.451 37.876 26.669 1.00 0.00 H new ATOM 0 HA THR A 12 25.762 35.083 26.383 1.00 0.00 H new ATOM 0 HB THR A 12 23.627 35.927 26.425 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.145 38.230 25.883 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.321 36.713 28.821 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.346 35.270 28.641 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.091 36.860 28.929 1.00 0.00 H new ATOM 204 N ILE A 13 25.689 35.271 23.870 1.00 0.00 N ATOM 205 CA ILE A 13 25.789 35.347 22.428 1.00 0.00 C ATOM 206 C ILE A 13 24.444 34.709 22.069 1.00 0.00 C ATOM 207 O ILE A 13 24.152 33.520 22.083 1.00 0.00 O ATOM 208 CB ILE A 13 26.981 34.588 21.824 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.323 35.166 22.266 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.868 34.552 20.299 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.447 34.129 22.395 1.00 0.00 C ATOM 0 H ILE A 13 25.885 34.339 24.236 1.00 0.00 H new ATOM 0 HA ILE A 13 25.968 36.351 22.044 1.00 0.00 H new ATOM 0 HB ILE A 13 26.945 33.566 22.202 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.630 35.929 21.551 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.192 35.664 23.227 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.719 34.011 19.884 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.944 34.048 20.014 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.861 35.570 19.911 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.364 34.624 22.713 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.166 33.378 23.133 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.610 33.647 21.431 1.00 0.00 H new ATOM 223 N THR A 14 23.548 35.596 21.645 1.00 0.00 N ATOM 224 CA THR A 14 22.183 35.220 21.323 1.00 0.00 C ATOM 225 C THR A 14 21.989 34.886 19.849 1.00 0.00 C ATOM 226 O THR A 14 21.775 35.762 19.009 1.00 0.00 O ATOM 227 CB THR A 14 21.283 36.312 21.901 1.00 0.00 C ATOM 228 OG1 THR A 14 21.656 37.573 21.395 1.00 0.00 O ATOM 229 CG2 THR A 14 21.260 36.320 23.432 1.00 0.00 C ATOM 0 H THR A 14 23.750 36.588 21.517 1.00 0.00 H new ATOM 0 HA THR A 14 21.902 34.273 21.784 1.00 0.00 H new ATOM 0 HB THR A 14 20.265 36.087 21.582 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.828 37.502 20.433 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.604 37.117 23.782 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.891 35.361 23.795 1.00 0.00 H new ATOM 0 HG23 THR A 14 22.268 36.488 23.810 1.00 0.00 H new ATOM 237 N LEU A 15 22.188 33.625 19.494 1.00 0.00 N ATOM 238 CA LEU A 15 22.129 32.966 18.200 1.00 0.00 C ATOM 239 C LEU A 15 20.631 32.888 17.890 1.00 0.00 C ATOM 240 O LEU A 15 19.877 32.368 18.709 1.00 0.00 O ATOM 241 CB LEU A 15 22.656 31.528 18.326 1.00 0.00 C ATOM 242 CG LEU A 15 23.450 30.947 17.170 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.752 31.658 16.792 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.782 29.484 17.440 1.00 0.00 C ATOM 0 H LEU A 15 22.429 32.944 20.214 1.00 0.00 H new ATOM 0 HA LEU A 15 22.713 33.490 17.443 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.283 31.481 19.216 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.801 30.875 18.503 1.00 0.00 H new ATOM 0 HG LEU A 15 22.781 31.085 16.321 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.218 31.141 15.953 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.535 32.688 16.509 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.431 31.652 17.645 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.351 29.080 16.603 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.374 29.408 18.352 1.00 0.00 H new ATOM 0 HD23 LEU A 15 22.859 28.917 17.558 1.00 0.00 H new ATOM 256 N GLU A 16 20.277 33.250 16.658 1.00 0.00 N ATOM 257 CA GLU A 16 19.010 33.081 15.980 1.00 0.00 C ATOM 258 C GLU A 16 19.184 31.802 15.154 1.00 0.00 C ATOM 259 O GLU A 16 19.962 31.708 14.205 1.00 0.00 O ATOM 260 CB GLU A 16 18.814 34.320 15.104 1.00 0.00 C ATOM 261 CG GLU A 16 17.577 34.271 14.210 1.00 0.00 C ATOM 262 CD GLU A 16 16.267 34.231 14.997 1.00 0.00 C ATOM 263 OE1 GLU A 16 15.993 35.173 15.764 1.00 0.00 O ATOM 264 OE2 GLU A 16 15.492 33.271 14.813 1.00 0.00 O ATOM 0 H GLU A 16 20.950 33.719 16.052 1.00 0.00 H new ATOM 0 HA GLU A 16 18.140 32.988 16.630 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.748 35.198 15.747 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.696 34.450 14.477 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.574 35.143 13.556 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.635 33.392 13.568 1.00 0.00 H new ATOM 271 N VAL A 17 18.272 30.884 15.455 1.00 0.00 N ATOM 272 CA VAL A 17 18.101 29.560 14.899 1.00 0.00 C ATOM 273 C VAL A 17 16.656 29.138 14.617 1.00 0.00 C ATOM 274 O VAL A 17 15.744 29.522 15.348 1.00 0.00 O ATOM 275 CB VAL A 17 18.850 28.514 15.726 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.372 28.538 15.619 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.430 28.463 17.196 1.00 0.00 C ATOM 0 H VAL A 17 17.567 31.075 16.167 1.00 0.00 H new ATOM 0 HA VAL A 17 18.550 29.619 13.907 1.00 0.00 H new ATOM 0 HB VAL A 17 18.528 27.592 15.242 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.793 27.753 16.247 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.667 28.371 14.583 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.745 29.507 15.950 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.007 27.696 17.713 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.614 29.431 17.661 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.368 28.225 17.263 1.00 0.00 H new ATOM 287 N GLU A 18 16.364 28.531 13.463 1.00 0.00 N ATOM 288 CA GLU A 18 15.047 28.013 13.149 1.00 0.00 C ATOM 289 C GLU A 18 14.848 26.758 14.002 1.00 0.00 C ATOM 290 O GLU A 18 15.831 26.124 14.377 1.00 0.00 O ATOM 291 CB GLU A 18 14.900 27.662 11.668 1.00 0.00 C ATOM 292 CG GLU A 18 14.307 28.639 10.659 1.00 0.00 C ATOM 293 CD GLU A 18 14.175 28.148 9.215 1.00 0.00 C ATOM 294 OE1 GLU A 18 14.225 26.929 8.943 1.00 0.00 O ATOM 295 OE2 GLU A 18 14.062 28.998 8.300 1.00 0.00 O ATOM 0 H GLU A 18 17.048 28.389 12.720 1.00 0.00 H new ATOM 0 HA GLU A 18 14.297 28.774 13.363 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.895 27.403 11.307 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.297 26.755 11.619 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.317 28.930 11.010 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.922 29.539 10.656 1.00 0.00 H new ATOM 302 N PRO A 19 13.601 26.493 14.370 1.00 0.00 N ATOM 303 CA PRO A 19 13.263 25.435 15.309 1.00 0.00 C ATOM 304 C PRO A 19 13.498 24.028 14.742 1.00 0.00 C ATOM 305 O PRO A 19 12.976 23.095 15.348 1.00 0.00 O ATOM 306 CB PRO A 19 11.771 25.679 15.525 1.00 0.00 C ATOM 307 CG PRO A 19 11.246 26.414 14.290 1.00 0.00 C ATOM 308 CD PRO A 19 12.464 27.170 13.777 1.00 0.00 C ATOM 0 HA PRO A 19 13.874 25.465 16.211 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.244 24.735 15.663 1.00 0.00 H new ATOM 0 HB3 PRO A 19 11.605 26.272 16.424 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.862 25.719 13.543 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.431 27.092 14.543 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.514 27.146 12.688 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.431 28.219 14.072 1.00 0.00 H new ATOM 316 N SER A 20 14.242 23.846 13.655 1.00 0.00 N ATOM 317 CA SER A 20 14.604 22.566 13.087 1.00 0.00 C ATOM 318 C SER A 20 16.071 22.471 12.683 1.00 0.00 C ATOM 319 O SER A 20 16.465 21.769 11.758 1.00 0.00 O ATOM 320 CB SER A 20 13.534 22.203 12.054 1.00 0.00 C ATOM 321 OG SER A 20 13.420 23.199 11.071 1.00 0.00 O ATOM 0 H SER A 20 14.624 24.630 13.126 1.00 0.00 H new ATOM 0 HA SER A 20 14.586 21.770 13.831 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.785 21.252 11.585 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.574 22.068 12.552 1.00 0.00 H new ATOM 0 HG SER A 20 12.731 22.942 10.423 1.00 0.00 H new ATOM 327 N ASP A 21 16.894 23.375 13.221 1.00 0.00 N ATOM 328 CA ASP A 21 18.257 23.663 12.806 1.00 0.00 C ATOM 329 C ASP A 21 19.268 22.668 13.369 1.00 0.00 C ATOM 330 O ASP A 21 19.134 22.384 14.549 1.00 0.00 O ATOM 331 CB ASP A 21 18.677 25.076 13.195 1.00 0.00 C ATOM 332 CG ASP A 21 19.765 25.673 12.315 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.105 25.193 11.208 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.288 26.772 12.563 1.00 0.00 O ATOM 0 H ASP A 21 16.602 23.958 14.006 1.00 0.00 H new ATOM 0 HA ASP A 21 18.257 23.571 11.720 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.802 25.725 13.160 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.026 25.067 14.228 1.00 0.00 H new ATOM 339 N THR A 22 20.008 21.886 12.580 1.00 0.00 N ATOM 340 CA THR A 22 20.748 20.724 13.022 1.00 0.00 C ATOM 341 C THR A 22 22.131 21.204 13.469 1.00 0.00 C ATOM 342 O THR A 22 22.643 22.186 12.951 1.00 0.00 O ATOM 343 CB THR A 22 20.773 19.736 11.856 1.00 0.00 C ATOM 344 OG1 THR A 22 21.373 20.211 10.674 1.00 0.00 O ATOM 345 CG2 THR A 22 19.400 19.122 11.596 1.00 0.00 C ATOM 0 H THR A 22 20.105 22.060 11.580 1.00 0.00 H new ATOM 0 HA THR A 22 20.301 20.209 13.872 1.00 0.00 H new ATOM 0 HB THR A 22 21.441 18.943 12.193 1.00 0.00 H new ATOM 0 HG1 THR A 22 21.344 19.511 9.988 1.00 0.00 H new ATOM 0 HG21 THR A 22 19.465 18.426 10.759 1.00 0.00 H new ATOM 0 HG22 THR A 22 19.065 18.589 12.486 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.688 19.912 11.357 1.00 0.00 H new ATOM 353 N ILE A 23 22.706 20.518 14.454 1.00 0.00 N ATOM 354 CA ILE A 23 23.951 20.841 15.124 1.00 0.00 C ATOM 355 C ILE A 23 25.146 21.254 14.266 1.00 0.00 C ATOM 356 O ILE A 23 25.745 22.230 14.703 1.00 0.00 O ATOM 357 CB ILE A 23 24.241 19.897 16.290 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.193 20.086 17.376 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.671 19.995 16.828 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.769 18.705 17.896 1.00 0.00 C ATOM 0 H ILE A 23 22.282 19.668 14.825 1.00 0.00 H new ATOM 0 HA ILE A 23 23.757 21.817 15.570 1.00 0.00 H new ATOM 0 HB ILE A 23 24.171 18.879 15.908 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.596 20.689 18.190 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.330 20.622 16.980 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.798 19.295 17.653 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.376 19.751 16.033 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.858 21.009 17.181 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.017 18.825 18.676 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.351 18.120 17.076 1.00 0.00 H new ATOM 0 HD13 ILE A 23 23.637 18.188 18.305 1.00 0.00 H new ATOM 372 N GLU A 24 25.402 20.643 13.112 1.00 0.00 N ATOM 373 CA GLU A 24 26.396 21.100 12.154 1.00 0.00 C ATOM 374 C GLU A 24 26.114 22.517 11.637 1.00 0.00 C ATOM 375 O GLU A 24 27.027 23.331 11.692 1.00 0.00 O ATOM 376 CB GLU A 24 26.624 20.149 10.985 1.00 0.00 C ATOM 377 CG GLU A 24 27.894 20.381 10.168 1.00 0.00 C ATOM 378 CD GLU A 24 29.097 19.649 10.746 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.244 19.420 11.964 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.972 19.358 9.899 1.00 0.00 O ATOM 0 H GLU A 24 24.912 19.799 12.814 1.00 0.00 H new ATOM 0 HA GLU A 24 27.322 21.119 12.728 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.646 19.130 11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.767 20.218 10.315 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.729 20.050 9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.107 21.449 10.128 1.00 0.00 H new ATOM 387 N ASN A 25 24.890 22.872 11.267 1.00 0.00 N ATOM 388 CA ASN A 25 24.512 24.151 10.703 1.00 0.00 C ATOM 389 C ASN A 25 24.559 25.249 11.775 1.00 0.00 C ATOM 390 O ASN A 25 24.486 26.434 11.457 1.00 0.00 O ATOM 391 CB ASN A 25 23.099 24.036 10.137 1.00 0.00 C ATOM 392 CG ASN A 25 22.847 25.151 9.134 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.694 25.375 8.272 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.661 25.735 9.305 1.00 0.00 N ATOM 0 H ASN A 25 24.096 22.238 11.359 1.00 0.00 H new ATOM 0 HA ASN A 25 25.212 24.420 9.912 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.969 23.067 9.656 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.369 24.091 10.945 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.359 26.473 8.669 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.055 25.444 10.072 1.00 0.00 H new ATOM 401 N VAL A 26 24.736 24.864 13.031 1.00 0.00 N ATOM 402 CA VAL A 26 24.961 25.714 14.182 1.00 0.00 C ATOM 403 C VAL A 26 26.441 26.037 14.370 1.00 0.00 C ATOM 404 O VAL A 26 26.855 27.097 14.846 1.00 0.00 O ATOM 405 CB VAL A 26 24.227 25.191 15.412 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.445 25.923 16.738 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.734 25.101 15.133 1.00 0.00 C ATOM 0 H VAL A 26 24.724 23.876 13.286 1.00 0.00 H new ATOM 0 HA VAL A 26 24.509 26.689 13.999 1.00 0.00 H new ATOM 0 HB VAL A 26 24.685 24.215 15.570 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.861 25.440 17.521 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.502 25.891 17.002 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.128 26.961 16.637 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.220 24.726 16.018 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.350 26.090 14.882 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.560 24.422 14.298 1.00 0.00 H new ATOM 417 N LYS A 27 27.323 25.135 13.943 1.00 0.00 N ATOM 418 CA LYS A 27 28.755 25.335 14.075 1.00 0.00 C ATOM 419 C LYS A 27 29.310 26.448 13.181 1.00 0.00 C ATOM 420 O LYS A 27 30.126 27.255 13.624 1.00 0.00 O ATOM 421 CB LYS A 27 29.510 24.036 13.742 1.00 0.00 C ATOM 422 CG LYS A 27 29.268 22.851 14.670 1.00 0.00 C ATOM 423 CD LYS A 27 29.835 21.573 14.028 1.00 0.00 C ATOM 424 CE LYS A 27 29.722 20.366 14.972 1.00 0.00 C ATOM 425 NZ LYS A 27 30.470 19.211 14.462 1.00 0.00 N ATOM 0 H LYS A 27 27.063 24.254 13.500 1.00 0.00 H new ATOM 0 HA LYS A 27 28.910 25.632 15.112 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.242 23.736 12.729 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.578 24.254 13.738 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.743 23.028 15.635 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.201 22.734 14.857 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.300 21.362 13.102 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.880 21.731 13.763 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.099 20.638 15.958 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.673 20.096 15.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.251 18.373 15.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.200 19.032 13.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.490 19.408 14.512 1.00 0.00 H new ATOM 439 N ALA A 28 28.642 26.548 12.041 1.00 0.00 N ATOM 440 CA ALA A 28 28.953 27.439 10.939 1.00 0.00 C ATOM 441 C ALA A 28 28.442 28.837 11.286 1.00 0.00 C ATOM 442 O ALA A 28 29.039 29.791 10.792 1.00 0.00 O ATOM 443 CB ALA A 28 28.232 26.952 9.683 1.00 0.00 C ATOM 0 H ALA A 28 27.820 25.974 11.852 1.00 0.00 H new ATOM 0 HA ALA A 28 30.029 27.458 10.766 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.461 27.617 8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.563 25.942 9.442 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.156 26.949 9.859 1.00 0.00 H new ATOM 449 N LYS A 29 27.495 29.049 12.194 1.00 0.00 N ATOM 450 CA LYS A 29 27.055 30.362 12.648 1.00 0.00 C ATOM 451 C LYS A 29 28.018 30.764 13.765 1.00 0.00 C ATOM 452 O LYS A 29 28.398 31.921 13.675 1.00 0.00 O ATOM 453 CB LYS A 29 25.654 30.241 13.244 1.00 0.00 C ATOM 454 CG LYS A 29 24.540 29.884 12.260 1.00 0.00 C ATOM 455 CD LYS A 29 23.216 29.826 13.006 1.00 0.00 C ATOM 456 CE LYS A 29 21.957 29.503 12.195 1.00 0.00 C ATOM 457 NZ LYS A 29 22.150 28.232 11.490 1.00 0.00 N ATOM 0 H LYS A 29 26.996 28.285 12.649 1.00 0.00 H new ATOM 0 HA LYS A 29 27.040 31.085 11.832 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.677 29.483 14.027 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.401 31.187 13.723 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.490 30.626 11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.748 28.924 11.789 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.308 29.080 13.795 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.063 30.789 13.494 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.092 29.439 12.855 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.755 30.302 11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 22.288 28.415 10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.987 27.747 11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.312 27.631 11.622 1.00 0.00 H new ATOM 471 N ILE A 30 28.531 29.980 14.712 1.00 0.00 N ATOM 472 CA ILE A 30 29.593 30.269 15.648 1.00 0.00 C ATOM 473 C ILE A 30 30.935 30.652 15.017 1.00 0.00 C ATOM 474 O ILE A 30 31.655 31.474 15.585 1.00 0.00 O ATOM 475 CB ILE A 30 29.715 29.112 16.638 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.503 28.639 17.448 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.965 29.197 17.510 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.422 27.146 17.735 1.00 0.00 C ATOM 0 H ILE A 30 28.171 29.035 14.848 1.00 0.00 H new ATOM 0 HA ILE A 30 29.309 31.178 16.177 1.00 0.00 H new ATOM 0 HB ILE A 30 29.798 28.302 15.913 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.499 29.171 18.400 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.599 28.934 16.915 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.992 28.346 18.191 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.852 29.183 16.877 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.945 30.122 18.086 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.523 26.935 18.314 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.386 26.596 16.795 1.00 0.00 H new ATOM 0 HD13 ILE A 30 29.300 26.836 18.303 1.00 0.00 H new ATOM 490 N GLN A 31 31.314 30.094 13.874 1.00 0.00 N ATOM 491 CA GLN A 31 32.561 30.274 13.169 1.00 0.00 C ATOM 492 C GLN A 31 32.497 31.532 12.307 1.00 0.00 C ATOM 493 O GLN A 31 33.553 31.932 11.815 1.00 0.00 O ATOM 494 CB GLN A 31 32.689 29.009 12.311 1.00 0.00 C ATOM 495 CG GLN A 31 33.867 28.971 11.334 1.00 0.00 C ATOM 496 CD GLN A 31 33.792 27.751 10.416 1.00 0.00 C ATOM 497 OE1 GLN A 31 34.581 27.664 9.477 1.00 0.00 O ATOM 498 NE2 GLN A 31 32.724 26.960 10.455 1.00 0.00 N ATOM 0 H GLN A 31 30.697 29.449 13.380 1.00 0.00 H new ATOM 0 HA GLN A 31 33.417 30.404 13.831 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.769 28.150 12.977 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.768 28.887 11.742 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.873 29.880 10.733 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.803 28.952 11.892 1.00 0.00 H new ATOM 0 HE21 GLN A 31 32.067 27.029 11.232 1.00 0.00 H new ATOM 0 HE22 GLN A 31 32.562 26.285 9.708 1.00 0.00 H new ATOM 507 N ASP A 32 31.350 32.201 12.275 1.00 0.00 N ATOM 508 CA ASP A 32 31.157 33.536 11.765 1.00 0.00 C ATOM 509 C ASP A 32 31.088 34.466 12.981 1.00 0.00 C ATOM 510 O ASP A 32 31.782 35.481 13.049 1.00 0.00 O ATOM 511 CB ASP A 32 29.955 33.780 10.849 1.00 0.00 C ATOM 512 CG ASP A 32 29.529 35.212 10.567 1.00 0.00 C ATOM 513 OD1 ASP A 32 30.312 36.108 10.193 1.00 0.00 O ATOM 514 OD2 ASP A 32 28.316 35.436 10.784 1.00 0.00 O ATOM 0 H ASP A 32 30.484 31.794 12.628 1.00 0.00 H new ATOM 0 HA ASP A 32 32.000 33.729 11.101 1.00 0.00 H new ATOM 0 HB2 ASP A 32 30.167 33.304 9.892 1.00 0.00 H new ATOM 0 HB3 ASP A 32 29.100 33.260 11.281 1.00 0.00 H new ATOM 519 N LYS A 33 30.321 34.030 13.976 1.00 0.00 N ATOM 520 CA LYS A 33 29.934 34.905 15.074 1.00 0.00 C ATOM 521 C LYS A 33 31.112 35.133 16.017 1.00 0.00 C ATOM 522 O LYS A 33 31.258 36.271 16.470 1.00 0.00 O ATOM 523 CB LYS A 33 28.607 34.430 15.639 1.00 0.00 C ATOM 524 CG LYS A 33 28.152 35.247 16.857 1.00 0.00 C ATOM 525 CD LYS A 33 27.701 36.653 16.495 1.00 0.00 C ATOM 526 CE LYS A 33 27.422 37.610 17.652 1.00 0.00 C ATOM 527 NZ LYS A 33 27.188 38.993 17.229 1.00 0.00 N ATOM 0 H LYS A 33 29.957 33.079 14.043 1.00 0.00 H new ATOM 0 HA LYS A 33 29.715 35.925 14.759 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.845 34.489 14.862 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.693 33.381 15.922 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.333 34.725 17.352 1.00 0.00 H new ATOM 0 HG3 LYS A 33 28.971 35.307 17.574 1.00 0.00 H new ATOM 0 HD2 LYS A 33 28.466 37.102 15.861 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.795 36.574 15.894 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.551 37.256 18.203 1.00 0.00 H new ATOM 0 HE3 LYS A 33 28.266 37.588 18.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 27.006 39.585 18.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 28.027 39.349 16.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 26.365 39.027 16.594 1.00 0.00 H new ATOM 541 N GLU A 34 31.996 34.193 16.332 1.00 0.00 N ATOM 542 CA GLU A 34 33.139 34.304 17.210 1.00 0.00 C ATOM 543 C GLU A 34 34.404 33.958 16.419 1.00 0.00 C ATOM 544 O GLU A 34 35.478 34.362 16.850 1.00 0.00 O ATOM 545 CB GLU A 34 32.873 33.445 18.452 1.00 0.00 C ATOM 546 CG GLU A 34 32.002 34.183 19.458 1.00 0.00 C ATOM 547 CD GLU A 34 32.801 35.240 20.219 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.711 34.962 21.026 1.00 0.00 O ATOM 549 OE2 GLU A 34 32.721 36.423 19.801 1.00 0.00 O ATOM 0 H GLU A 34 31.918 33.254 15.941 1.00 0.00 H new ATOM 0 HA GLU A 34 33.301 35.317 17.578 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.384 32.516 18.157 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.820 33.173 18.918 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.169 34.658 18.940 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.575 33.470 20.163 1.00 0.00 H new ATOM 556 N GLY A 35 34.370 33.183 15.342 1.00 0.00 N ATOM 557 CA GLY A 35 35.544 32.941 14.534 1.00 0.00 C ATOM 558 C GLY A 35 36.347 31.761 15.079 1.00 0.00 C ATOM 559 O GLY A 35 37.535 31.700 14.773 1.00 0.00 O ATOM 0 H GLY A 35 33.529 32.710 15.011 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.247 32.739 13.505 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.169 33.834 14.516 1.00 0.00 H new ATOM 563 N ILE A 36 35.830 30.921 15.981 1.00 0.00 N ATOM 564 CA ILE A 36 36.358 29.662 16.439 1.00 0.00 C ATOM 565 C ILE A 36 36.153 28.627 15.338 1.00 0.00 C ATOM 566 O ILE A 36 35.017 28.444 14.895 1.00 0.00 O ATOM 567 CB ILE A 36 35.644 29.207 17.717 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.755 30.192 18.887 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.191 27.892 18.259 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.429 30.503 19.587 1.00 0.00 C ATOM 0 H ILE A 36 34.948 31.140 16.444 1.00 0.00 H new ATOM 0 HA ILE A 36 37.418 29.773 16.665 1.00 0.00 H new ATOM 0 HB ILE A 36 34.609 29.119 17.388 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.452 29.787 19.621 1.00 0.00 H new ATOM 0 HG13 ILE A 36 36.185 31.124 18.520 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.649 27.618 19.164 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.066 27.110 17.510 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.250 28.006 18.491 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.603 31.207 20.400 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.733 30.941 18.871 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.005 29.583 19.989 1.00 0.00 H new ATOM 582 N PRO A 37 37.157 27.845 14.970 1.00 0.00 N ATOM 583 CA PRO A 37 36.990 26.893 13.886 1.00 0.00 C ATOM 584 C PRO A 37 36.246 25.602 14.220 1.00 0.00 C ATOM 585 O PRO A 37 36.205 25.149 15.362 1.00 0.00 O ATOM 586 CB PRO A 37 38.384 26.616 13.308 1.00 0.00 C ATOM 587 CG PRO A 37 39.388 27.128 14.342 1.00 0.00 C ATOM 588 CD PRO A 37 38.565 28.139 15.147 1.00 0.00 C ATOM 0 HA PRO A 37 36.324 27.353 13.156 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.524 25.551 13.125 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.517 27.124 12.353 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.766 26.322 14.971 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.252 27.595 13.869 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.831 28.086 16.203 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.783 29.154 14.813 1.00 0.00 H new ATOM 596 N PRO A 38 35.746 24.839 13.246 1.00 0.00 N ATOM 597 CA PRO A 38 34.986 23.648 13.535 1.00 0.00 C ATOM 598 C PRO A 38 35.690 22.442 14.177 1.00 0.00 C ATOM 599 O PRO A 38 35.074 21.616 14.845 1.00 0.00 O ATOM 600 CB PRO A 38 34.360 23.273 12.188 1.00 0.00 C ATOM 601 CG PRO A 38 35.318 23.834 11.144 1.00 0.00 C ATOM 602 CD PRO A 38 35.908 25.073 11.819 1.00 0.00 C ATOM 0 HA PRO A 38 34.289 23.894 14.336 1.00 0.00 H new ATOM 0 HB2 PRO A 38 34.254 22.193 12.088 1.00 0.00 H new ATOM 0 HB3 PRO A 38 33.364 23.702 12.082 1.00 0.00 H new ATOM 0 HG2 PRO A 38 36.093 23.113 10.884 1.00 0.00 H new ATOM 0 HG3 PRO A 38 34.798 24.091 10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 38 36.958 25.202 11.557 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.388 25.978 11.506 1.00 0.00 H new ATOM 610 N ASP A 39 37.022 22.468 14.103 1.00 0.00 N ATOM 611 CA ASP A 39 37.856 21.415 14.643 1.00 0.00 C ATOM 612 C ASP A 39 38.354 21.761 16.047 1.00 0.00 C ATOM 613 O ASP A 39 39.084 21.010 16.679 1.00 0.00 O ATOM 614 CB ASP A 39 39.081 21.153 13.768 1.00 0.00 C ATOM 615 CG ASP A 39 40.154 22.236 13.675 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.958 23.456 13.501 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.318 21.790 13.598 1.00 0.00 O ATOM 0 H ASP A 39 37.545 23.226 13.664 1.00 0.00 H new ATOM 0 HA ASP A 39 37.228 20.524 14.674 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.559 20.243 14.130 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.729 20.947 12.757 1.00 0.00 H new ATOM 622 N GLN A 40 38.011 22.958 16.520 1.00 0.00 N ATOM 623 CA GLN A 40 38.384 23.365 17.857 1.00 0.00 C ATOM 624 C GLN A 40 37.211 23.632 18.804 1.00 0.00 C ATOM 625 O GLN A 40 37.527 23.525 19.982 1.00 0.00 O ATOM 626 CB GLN A 40 39.318 24.569 17.784 1.00 0.00 C ATOM 627 CG GLN A 40 40.696 24.307 17.194 1.00 0.00 C ATOM 628 CD GLN A 40 41.691 25.464 17.266 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.940 26.192 16.310 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.172 25.704 18.484 1.00 0.00 N ATOM 0 H GLN A 40 37.479 23.653 15.995 1.00 0.00 H new ATOM 0 HA GLN A 40 38.899 22.512 18.299 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.833 25.345 17.193 1.00 0.00 H new ATOM 0 HB3 GLN A 40 39.445 24.967 18.791 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.131 23.449 17.706 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.573 24.025 16.148 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.944 25.077 19.255 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.769 26.515 18.646 1.00 0.00 H new ATOM 639 N GLN A 41 35.969 23.790 18.332 1.00 0.00 N ATOM 640 CA GLN A 41 34.707 23.942 19.031 1.00 0.00 C ATOM 641 C GLN A 41 34.380 22.631 19.741 1.00 0.00 C ATOM 642 O GLN A 41 34.461 21.548 19.143 1.00 0.00 O ATOM 643 CB GLN A 41 33.616 24.315 18.023 1.00 0.00 C ATOM 644 CG GLN A 41 33.520 25.755 17.531 1.00 0.00 C ATOM 645 CD GLN A 41 32.366 25.972 16.558 1.00 0.00 C ATOM 646 OE1 GLN A 41 31.300 25.454 16.875 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.648 26.684 15.474 1.00 0.00 N ATOM 0 H GLN A 41 35.817 23.816 17.324 1.00 0.00 H new ATOM 0 HA GLN A 41 34.769 24.736 19.775 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.745 23.677 17.149 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.655 24.055 18.468 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.397 26.419 18.387 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.456 26.031 17.045 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.588 27.057 15.339 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.925 26.858 14.776 1.00 0.00 H new ATOM 656 N ARG A 42 33.896 22.762 20.970 1.00 0.00 N ATOM 657 CA ARG A 42 32.924 21.829 21.510 1.00 0.00 C ATOM 658 C ARG A 42 31.793 22.722 22.009 1.00 0.00 C ATOM 659 O ARG A 42 32.022 23.853 22.435 1.00 0.00 O ATOM 660 CB ARG A 42 33.575 20.864 22.499 1.00 0.00 C ATOM 661 CG ARG A 42 34.549 19.763 22.075 1.00 0.00 C ATOM 662 CD ARG A 42 34.332 18.392 22.732 1.00 0.00 C ATOM 663 NE ARG A 42 34.767 18.231 24.117 1.00 0.00 N ATOM 664 CZ ARG A 42 35.048 17.081 24.742 1.00 0.00 C ATOM 665 NH1 ARG A 42 34.910 15.933 24.069 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.410 16.973 26.032 1.00 0.00 N ATOM 0 H ARG A 42 34.164 23.509 21.611 1.00 0.00 H new ATOM 0 HA ARG A 42 32.504 21.121 20.795 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.102 21.479 23.228 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.761 20.369 23.029 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.483 19.642 20.994 1.00 0.00 H new ATOM 0 HG3 ARG A 42 35.563 20.095 22.297 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.268 18.161 22.685 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.847 17.645 22.129 1.00 0.00 H new ATOM 0 HE ARG A 42 34.867 19.085 24.666 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.596 15.945 23.099 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.119 15.045 24.526 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.488 17.809 26.612 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.607 16.055 26.431 1.00 0.00 H new ATOM 680 N LEU A 43 30.568 22.215 22.008 1.00 0.00 N ATOM 681 CA LEU A 43 29.397 22.870 22.567 1.00 0.00 C ATOM 682 C LEU A 43 28.423 21.967 23.326 1.00 0.00 C ATOM 683 O LEU A 43 28.064 20.910 22.831 1.00 0.00 O ATOM 684 CB LEU A 43 28.821 23.906 21.597 1.00 0.00 C ATOM 685 CG LEU A 43 28.380 23.477 20.198 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.205 24.341 19.725 1.00 0.00 C ATOM 687 CD2 LEU A 43 29.500 23.572 19.162 1.00 0.00 C ATOM 0 H LEU A 43 30.356 21.303 21.603 1.00 0.00 H new ATOM 0 HA LEU A 43 29.734 23.464 23.417 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.959 24.362 22.084 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.570 24.689 21.476 1.00 0.00 H new ATOM 0 HG LEU A 43 28.086 22.431 20.280 1.00 0.00 H new ATOM 0 HD11 LEU A 43 26.900 24.026 18.727 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.368 24.226 20.414 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.510 25.387 19.697 1.00 0.00 H new ATOM 0 HD21 LEU A 43 29.124 23.254 18.190 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.849 24.603 19.097 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.327 22.927 19.460 1.00 0.00 H new ATOM 699 N ILE A 44 28.021 22.459 24.500 1.00 0.00 N ATOM 700 CA ILE A 44 27.358 21.531 25.401 1.00 0.00 C ATOM 701 C ILE A 44 26.051 22.225 25.773 1.00 0.00 C ATOM 702 O ILE A 44 25.981 23.437 25.975 1.00 0.00 O ATOM 703 CB ILE A 44 28.311 21.145 26.535 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.605 20.612 27.777 1.00 0.00 C ATOM 705 CG2 ILE A 44 29.287 22.236 26.960 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.515 19.703 28.623 1.00 0.00 C ATOM 0 H ILE A 44 28.132 23.419 24.827 1.00 0.00 H new ATOM 0 HA ILE A 44 27.101 20.559 24.980 1.00 0.00 H new ATOM 0 HB ILE A 44 28.889 20.342 26.077 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.265 21.449 28.386 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.717 20.055 27.477 1.00 0.00 H new ATOM 0 HG21 ILE A 44 29.918 21.865 27.768 1.00 0.00 H new ATOM 0 HG22 ILE A 44 29.911 22.516 26.112 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.731 23.108 27.305 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.966 19.349 29.496 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.834 18.850 28.025 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.390 20.266 28.948 1.00 0.00 H new ATOM 718 N PHE A 45 24.995 21.424 25.933 1.00 0.00 N ATOM 719 CA PHE A 45 23.796 21.829 26.632 1.00 0.00 C ATOM 720 C PHE A 45 23.480 20.834 27.749 1.00 0.00 C ATOM 721 O PHE A 45 23.460 19.629 27.504 1.00 0.00 O ATOM 722 CB PHE A 45 22.668 21.834 25.590 1.00 0.00 C ATOM 723 CG PHE A 45 21.241 21.990 26.043 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.764 23.203 26.570 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.307 20.968 25.877 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.473 23.400 27.086 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.016 21.134 26.394 1.00 0.00 C ATOM 728 CZ PHE A 45 18.567 22.338 26.933 1.00 0.00 C ATOM 0 H PHE A 45 24.958 20.470 25.574 1.00 0.00 H new ATOM 0 HA PHE A 45 23.915 22.811 27.089 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.877 22.640 24.886 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.734 20.899 25.033 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.440 24.045 26.579 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.576 20.061 25.357 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.191 24.321 27.575 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.339 20.293 26.374 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.535 22.453 27.229 1.00 0.00 H new ATOM 738 N ALA A 46 23.077 21.264 28.947 1.00 0.00 N ATOM 739 CA ALA A 46 22.546 20.369 29.961 1.00 0.00 C ATOM 740 C ALA A 46 23.406 19.189 30.428 1.00 0.00 C ATOM 741 O ALA A 46 22.775 18.152 30.634 1.00 0.00 O ATOM 742 CB ALA A 46 21.093 20.012 29.636 1.00 0.00 C ATOM 0 H ALA A 46 23.112 22.242 29.235 1.00 0.00 H new ATOM 0 HA ALA A 46 22.580 20.956 30.879 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.703 19.341 30.401 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.492 20.921 29.610 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.048 19.520 28.665 1.00 0.00 H new ATOM 748 N GLY A 47 24.730 19.261 30.392 1.00 0.00 N ATOM 749 CA GLY A 47 25.708 18.212 30.626 1.00 0.00 C ATOM 750 C GLY A 47 26.172 17.537 29.332 1.00 0.00 C ATOM 751 O GLY A 47 27.224 16.901 29.389 1.00 0.00 O ATOM 0 H GLY A 47 25.189 20.146 30.176 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.571 18.634 31.141 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.278 17.461 31.289 1.00 0.00 H new ATOM 755 N LYS A 48 25.476 17.647 28.200 1.00 0.00 N ATOM 756 CA LYS A 48 25.642 16.740 27.086 1.00 0.00 C ATOM 757 C LYS A 48 26.454 17.422 25.981 1.00 0.00 C ATOM 758 O LYS A 48 25.987 18.403 25.408 1.00 0.00 O ATOM 759 CB LYS A 48 24.224 16.409 26.630 1.00 0.00 C ATOM 760 CG LYS A 48 23.525 15.197 27.242 1.00 0.00 C ATOM 761 CD LYS A 48 22.189 14.770 26.643 1.00 0.00 C ATOM 762 CE LYS A 48 21.628 13.503 27.283 1.00 0.00 C ATOM 763 NZ LYS A 48 21.477 13.688 28.742 1.00 0.00 N ATOM 0 H LYS A 48 24.780 18.375 28.039 1.00 0.00 H new ATOM 0 HA LYS A 48 26.186 15.834 27.351 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.602 17.283 26.823 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.248 16.267 25.550 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.207 14.349 27.178 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.368 15.400 28.301 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.469 15.580 26.760 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.313 14.606 25.573 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.663 13.260 26.839 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.292 12.662 27.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.898 12.917 29.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.415 13.679 29.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.012 14.599 28.930 1.00 0.00 H new ATOM 777 N GLN A 49 27.577 16.810 25.609 1.00 0.00 N ATOM 778 CA GLN A 49 28.354 17.089 24.422 1.00 0.00 C ATOM 779 C GLN A 49 27.543 16.623 23.213 1.00 0.00 C ATOM 780 O GLN A 49 27.326 15.413 23.061 1.00 0.00 O ATOM 781 CB GLN A 49 29.664 16.342 24.674 1.00 0.00 C ATOM 782 CG GLN A 49 30.829 16.551 23.704 1.00 0.00 C ATOM 783 CD GLN A 49 30.869 15.774 22.389 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.848 15.810 21.641 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.826 15.056 22.015 1.00 0.00 N ATOM 0 H GLN A 49 27.986 16.062 26.169 1.00 0.00 H new ATOM 0 HA GLN A 49 28.578 18.136 24.215 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.012 16.612 25.671 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.438 15.276 24.694 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.860 17.612 23.456 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.748 16.323 24.245 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.001 15.006 22.612 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.846 14.551 21.129 1.00 0.00 H new ATOM 794 N LEU A 50 27.110 17.573 22.391 1.00 0.00 N ATOM 795 CA LEU A 50 26.214 17.529 21.260 1.00 0.00 C ATOM 796 C LEU A 50 26.933 16.815 20.106 1.00 0.00 C ATOM 797 O LEU A 50 28.083 17.115 19.793 1.00 0.00 O ATOM 798 CB LEU A 50 25.716 18.917 20.867 1.00 0.00 C ATOM 799 CG LEU A 50 24.980 19.667 21.977 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.715 21.126 21.629 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.661 19.038 22.420 1.00 0.00 C ATOM 0 H LEU A 50 27.434 18.530 22.533 1.00 0.00 H new ATOM 0 HA LEU A 50 25.317 16.970 21.525 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.567 19.516 20.544 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.051 18.820 20.009 1.00 0.00 H new ATOM 0 HG LEU A 50 25.678 19.598 22.811 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.190 21.607 22.454 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.662 21.636 21.455 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.103 21.180 20.729 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.216 19.643 23.210 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.978 18.990 21.572 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.846 18.031 22.795 1.00 0.00 H new ATOM 813 N GLU A 51 26.203 15.869 19.533 1.00 0.00 N ATOM 814 CA GLU A 51 26.671 15.134 18.382 1.00 0.00 C ATOM 815 C GLU A 51 25.922 15.606 17.132 1.00 0.00 C ATOM 816 O GLU A 51 24.706 15.692 17.314 1.00 0.00 O ATOM 817 CB GLU A 51 26.486 13.644 18.676 1.00 0.00 C ATOM 818 CG GLU A 51 27.092 12.790 17.555 1.00 0.00 C ATOM 819 CD GLU A 51 26.798 11.314 17.814 1.00 0.00 C ATOM 820 OE1 GLU A 51 27.579 10.633 18.514 1.00 0.00 O ATOM 821 OE2 GLU A 51 25.826 10.838 17.190 1.00 0.00 O ATOM 0 H GLU A 51 25.275 15.595 19.856 1.00 0.00 H new ATOM 0 HA GLU A 51 27.728 15.311 18.186 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.959 13.394 19.626 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.425 13.418 18.779 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.678 13.090 16.592 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.169 12.952 17.503 1.00 0.00 H new ATOM 828 N ASP A 52 26.600 15.953 16.048 1.00 0.00 N ATOM 829 CA ASP A 52 26.098 16.404 14.767 1.00 0.00 C ATOM 830 C ASP A 52 25.144 15.354 14.200 1.00 0.00 C ATOM 831 O ASP A 52 25.204 14.149 14.439 1.00 0.00 O ATOM 832 CB ASP A 52 27.338 16.665 13.907 1.00 0.00 C ATOM 833 CG ASP A 52 28.435 15.608 13.825 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.217 15.506 14.800 1.00 0.00 O ATOM 835 OD2 ASP A 52 28.664 15.050 12.728 1.00 0.00 O ATOM 0 H ASP A 52 27.619 15.921 16.049 1.00 0.00 H new ATOM 0 HA ASP A 52 25.510 17.320 14.820 1.00 0.00 H new ATOM 0 HB2 ASP A 52 26.995 16.858 12.891 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.798 17.585 14.269 1.00 0.00 H new ATOM 840 N GLY A 53 24.122 15.819 13.471 1.00 0.00 N ATOM 841 CA GLY A 53 23.149 15.064 12.720 1.00 0.00 C ATOM 842 C GLY A 53 21.721 15.109 13.288 1.00 0.00 C ATOM 843 O GLY A 53 20.734 14.774 12.647 1.00 0.00 O ATOM 0 H GLY A 53 23.953 16.822 13.394 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.130 15.439 11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.474 14.025 12.673 1.00 0.00 H new ATOM 847 N ARG A 54 21.650 15.441 14.572 1.00 0.00 N ATOM 848 CA ARG A 54 20.435 15.591 15.353 1.00 0.00 C ATOM 849 C ARG A 54 20.002 17.050 15.190 1.00 0.00 C ATOM 850 O ARG A 54 20.866 17.903 15.000 1.00 0.00 O ATOM 851 CB ARG A 54 20.695 15.333 16.837 1.00 0.00 C ATOM 852 CG ARG A 54 21.276 13.956 17.132 1.00 0.00 C ATOM 853 CD ARG A 54 20.358 12.741 17.036 1.00 0.00 C ATOM 854 NE ARG A 54 21.212 11.578 17.321 1.00 0.00 N ATOM 855 CZ ARG A 54 20.689 10.428 17.767 1.00 0.00 C ATOM 856 NH1 ARG A 54 19.388 10.137 17.784 1.00 0.00 N ATOM 857 NH2 ARG A 54 21.571 9.491 18.132 1.00 0.00 N ATOM 0 H ARG A 54 22.488 15.622 15.124 1.00 0.00 H new ATOM 0 HA ARG A 54 19.681 14.881 15.013 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.379 16.093 17.213 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.760 15.447 17.385 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.110 13.795 16.449 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.689 13.980 18.140 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.539 12.811 17.752 1.00 0.00 H new ATOM 0 HD3 ARG A 54 19.910 12.665 16.045 1.00 0.00 H new ATOM 0 HE ARG A 54 22.219 11.648 17.177 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.709 10.816 17.440 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.072 9.236 18.141 1.00 0.00 H new ATOM 0 HH21 ARG A 54 22.571 9.677 18.061 1.00 0.00 H new ATOM 0 HH22 ARG A 54 21.243 8.591 18.481 1.00 0.00 H new ATOM 871 N THR A 55 18.696 17.271 15.343 1.00 0.00 N ATOM 872 CA THR A 55 18.078 18.570 15.461 1.00 0.00 C ATOM 873 C THR A 55 18.068 19.077 16.899 1.00 0.00 C ATOM 874 O THR A 55 18.497 18.352 17.800 1.00 0.00 O ATOM 875 CB THR A 55 16.651 18.513 14.931 1.00 0.00 C ATOM 876 OG1 THR A 55 15.796 17.642 15.633 1.00 0.00 O ATOM 877 CG2 THR A 55 16.524 18.250 13.427 1.00 0.00 C ATOM 0 H THR A 55 18.020 16.509 15.389 1.00 0.00 H new ATOM 0 HA THR A 55 18.672 19.267 14.869 1.00 0.00 H new ATOM 0 HB THR A 55 16.316 19.534 15.114 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.318 16.901 16.006 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.470 18.228 13.149 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.028 19.043 12.875 1.00 0.00 H new ATOM 0 HG23 THR A 55 16.983 17.291 13.185 1.00 0.00 H new ATOM 885 N LEU A 56 17.607 20.295 17.146 1.00 0.00 N ATOM 886 CA LEU A 56 17.444 20.953 18.422 1.00 0.00 C ATOM 887 C LEU A 56 16.519 20.155 19.338 1.00 0.00 C ATOM 888 O LEU A 56 16.783 19.992 20.527 1.00 0.00 O ATOM 889 CB LEU A 56 16.992 22.414 18.438 1.00 0.00 C ATOM 890 CG LEU A 56 17.736 23.400 17.537 1.00 0.00 C ATOM 891 CD1 LEU A 56 17.165 24.814 17.491 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.229 23.584 17.813 1.00 0.00 C ATOM 0 H LEU A 56 17.311 20.900 16.380 1.00 0.00 H new ATOM 0 HA LEU A 56 18.474 20.983 18.778 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.937 22.441 18.165 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.065 22.776 19.463 1.00 0.00 H new ATOM 0 HG LEU A 56 17.588 22.884 16.588 1.00 0.00 H new ATOM 0 HD11 LEU A 56 17.769 25.429 16.823 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.139 24.780 17.125 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.179 25.245 18.492 1.00 0.00 H new ATOM 0 HD21 LEU A 56 19.643 24.307 17.110 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.369 23.948 18.831 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.741 22.629 17.695 1.00 0.00 H new ATOM 904 N SER A 57 15.458 19.604 18.745 1.00 0.00 N ATOM 905 CA SER A 57 14.438 18.797 19.387 1.00 0.00 C ATOM 906 C SER A 57 15.033 17.633 20.174 1.00 0.00 C ATOM 907 O SER A 57 14.565 17.385 21.290 1.00 0.00 O ATOM 908 CB SER A 57 13.415 18.355 18.339 1.00 0.00 C ATOM 909 OG SER A 57 12.469 17.376 18.691 1.00 0.00 O ATOM 0 H SER A 57 15.285 19.720 17.747 1.00 0.00 H new ATOM 0 HA SER A 57 13.921 19.401 20.133 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.869 19.241 18.015 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.966 17.986 17.474 1.00 0.00 H new ATOM 0 HG SER A 57 11.884 17.197 17.926 1.00 0.00 H new ATOM 915 N ASP A 58 15.894 16.857 19.529 1.00 0.00 N ATOM 916 CA ASP A 58 16.599 15.687 19.990 1.00 0.00 C ATOM 917 C ASP A 58 17.258 15.820 21.369 1.00 0.00 C ATOM 918 O ASP A 58 17.478 14.808 22.026 1.00 0.00 O ATOM 919 CB ASP A 58 17.583 15.245 18.904 1.00 0.00 C ATOM 920 CG ASP A 58 16.858 14.718 17.680 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.330 13.602 17.833 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.008 15.348 16.604 1.00 0.00 O ATOM 0 H ASP A 58 16.137 17.064 18.560 1.00 0.00 H new ATOM 0 HA ASP A 58 15.854 14.909 20.156 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.215 16.086 18.620 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.241 14.471 19.300 1.00 0.00 H new ATOM 927 N TYR A 59 17.733 17.031 21.641 1.00 0.00 N ATOM 928 CA TYR A 59 18.556 17.365 22.786 1.00 0.00 C ATOM 929 C TYR A 59 17.741 18.261 23.717 1.00 0.00 C ATOM 930 O TYR A 59 18.079 18.441 24.883 1.00 0.00 O ATOM 931 CB TYR A 59 19.879 18.003 22.333 1.00 0.00 C ATOM 932 CG TYR A 59 20.921 16.985 21.947 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.366 16.100 22.936 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.314 16.913 20.602 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.345 15.177 22.543 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.320 16.014 20.249 1.00 0.00 C ATOM 937 CZ TYR A 59 22.870 15.189 21.239 1.00 0.00 C ATOM 938 OH TYR A 59 23.980 14.477 20.901 1.00 0.00 O ATOM 0 H TYR A 59 17.545 17.835 21.042 1.00 0.00 H new ATOM 0 HA TYR A 59 18.836 16.468 23.339 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.688 18.659 21.484 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.269 18.627 23.137 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.978 16.127 23.943 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.848 17.540 19.856 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.701 14.445 23.253 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.670 15.955 19.229 1.00 0.00 H new ATOM 0 HH TYR A 59 23.798 13.952 20.094 1.00 0.00 H new ATOM 948 N ASN A 60 16.599 18.787 23.271 1.00 0.00 N ATOM 949 CA ASN A 60 15.505 19.441 23.953 1.00 0.00 C ATOM 950 C ASN A 60 15.878 20.907 24.168 1.00 0.00 C ATOM 951 O ASN A 60 15.601 21.531 25.191 1.00 0.00 O ATOM 952 CB ASN A 60 15.138 18.659 25.208 1.00 0.00 C ATOM 953 CG ASN A 60 13.705 18.745 25.724 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.884 19.455 25.151 1.00 0.00 O ATOM 955 ND2 ASN A 60 13.310 18.114 26.831 1.00 0.00 N ATOM 0 H ASN A 60 16.403 18.752 22.271 1.00 0.00 H new ATOM 0 HA ASN A 60 14.590 19.448 23.360 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.361 17.608 25.022 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.800 18.988 26.009 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.356 18.231 27.172 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.962 17.514 27.337 1.00 0.00 H new ATOM 962 N ILE A 61 16.394 21.531 23.116 1.00 0.00 N ATOM 963 CA ILE A 61 16.730 22.935 23.012 1.00 0.00 C ATOM 964 C ILE A 61 15.513 23.508 22.281 1.00 0.00 C ATOM 965 O ILE A 61 15.446 23.403 21.061 1.00 0.00 O ATOM 966 CB ILE A 61 18.111 22.987 22.358 1.00 0.00 C ATOM 967 CG1 ILE A 61 19.088 21.995 22.980 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.598 24.436 22.298 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.386 21.837 22.173 1.00 0.00 C ATOM 0 H ILE A 61 16.601 21.027 22.254 1.00 0.00 H new ATOM 0 HA ILE A 61 16.863 23.540 23.909 1.00 0.00 H new ATOM 0 HB ILE A 61 18.039 22.646 21.325 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.334 22.322 23.990 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.602 21.023 23.068 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.583 24.470 21.831 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.898 25.031 21.712 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.661 24.841 23.308 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.038 21.118 22.669 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.150 21.481 21.170 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.893 22.800 22.107 1.00 0.00 H new ATOM 981 N GLN A 62 14.485 23.982 22.984 1.00 0.00 N ATOM 982 CA GLN A 62 13.201 24.351 22.420 1.00 0.00 C ATOM 983 C GLN A 62 13.083 25.860 22.195 1.00 0.00 C ATOM 984 O GLN A 62 12.061 26.214 21.591 1.00 0.00 O ATOM 985 CB GLN A 62 12.087 23.978 23.399 1.00 0.00 C ATOM 986 CG GLN A 62 12.071 22.511 23.847 1.00 0.00 C ATOM 987 CD GLN A 62 11.740 21.620 22.655 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.831 21.845 21.871 1.00 0.00 O ATOM 989 NE2 GLN A 62 12.462 20.526 22.431 1.00 0.00 N ATOM 0 H GLN A 62 14.531 24.122 23.993 1.00 0.00 H new ATOM 0 HA GLN A 62 13.115 23.825 21.469 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.176 24.610 24.283 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.127 24.210 22.937 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.040 22.236 24.262 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.334 22.369 24.637 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.234 20.288 23.054 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.244 19.925 21.637 1.00 0.00 H new ATOM 998 N LYS A 63 14.054 26.677 22.582 1.00 0.00 N ATOM 999 CA LYS A 63 14.279 28.097 22.474 1.00 0.00 C ATOM 1000 C LYS A 63 14.749 28.546 23.852 1.00 0.00 C ATOM 1001 O LYS A 63 14.486 27.845 24.827 1.00 0.00 O ATOM 1002 CB LYS A 63 13.200 29.008 21.882 1.00 0.00 C ATOM 1003 CG LYS A 63 12.191 29.675 22.827 1.00 0.00 C ATOM 1004 CD LYS A 63 11.422 28.784 23.802 1.00 0.00 C ATOM 1005 CE LYS A 63 10.569 29.631 24.754 1.00 0.00 C ATOM 1006 NZ LYS A 63 10.026 28.838 25.853 1.00 0.00 N ATOM 0 H LYS A 63 14.847 26.263 23.072 1.00 0.00 H new ATOM 0 HA LYS A 63 15.017 28.224 21.682 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.705 29.799 21.328 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.635 28.422 21.158 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.725 30.425 23.411 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.462 30.207 22.215 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.783 28.097 23.248 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.122 28.176 24.376 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.174 30.443 25.157 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.751 30.088 24.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.456 29.448 26.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.428 28.078 25.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.807 28.422 26.400 1.00 0.00 H new ATOM 1020 N GLU A 64 15.393 29.707 23.991 1.00 0.00 N ATOM 1021 CA GLU A 64 15.767 30.352 25.227 1.00 0.00 C ATOM 1022 C GLU A 64 16.908 29.647 25.962 1.00 0.00 C ATOM 1023 O GLU A 64 17.674 30.392 26.565 1.00 0.00 O ATOM 1024 CB GLU A 64 14.627 30.569 26.228 1.00 0.00 C ATOM 1025 CG GLU A 64 14.707 31.696 27.260 1.00 0.00 C ATOM 1026 CD GLU A 64 13.389 32.381 27.572 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.677 31.870 28.461 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.086 33.433 26.951 1.00 0.00 O ATOM 0 H GLU A 64 15.682 30.250 23.178 1.00 0.00 H new ATOM 0 HA GLU A 64 16.095 31.329 24.873 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.716 30.725 25.650 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.499 29.637 26.778 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.116 31.291 28.186 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.412 32.446 26.901 1.00 0.00 H new ATOM 1035 N SER A 65 17.053 28.329 25.878 1.00 0.00 N ATOM 1036 CA SER A 65 18.040 27.370 26.329 1.00 0.00 C ATOM 1037 C SER A 65 19.437 28.003 26.459 1.00 0.00 C ATOM 1038 O SER A 65 19.969 28.670 25.576 1.00 0.00 O ATOM 1039 CB SER A 65 18.050 26.284 25.248 1.00 0.00 C ATOM 1040 OG SER A 65 16.751 25.803 25.003 1.00 0.00 O ATOM 0 H SER A 65 16.321 27.816 25.387 1.00 0.00 H new ATOM 0 HA SER A 65 17.793 26.983 27.318 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.472 26.687 24.327 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.693 25.461 25.560 1.00 0.00 H new ATOM 0 HG SER A 65 16.574 25.815 24.039 1.00 0.00 H new ATOM 1046 N THR A 66 20.089 27.728 27.587 1.00 0.00 N ATOM 1047 CA THR A 66 21.471 28.106 27.809 1.00 0.00 C ATOM 1048 C THR A 66 22.427 27.009 27.334 1.00 0.00 C ATOM 1049 O THR A 66 22.457 25.921 27.897 1.00 0.00 O ATOM 1050 CB THR A 66 21.655 28.349 29.307 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.658 29.276 29.659 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.019 28.898 29.731 1.00 0.00 C ATOM 0 H THR A 66 19.666 27.234 28.373 1.00 0.00 H new ATOM 0 HA THR A 66 21.700 29.007 27.240 1.00 0.00 H new ATOM 0 HB THR A 66 21.586 27.387 29.814 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.720 29.475 30.616 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.037 29.032 30.813 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.800 28.196 29.439 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.192 29.858 29.244 1.00 0.00 H new ATOM 1060 N LEU A 67 23.141 27.238 26.237 1.00 0.00 N ATOM 1061 CA LEU A 67 24.324 26.540 25.781 1.00 0.00 C ATOM 1062 C LEU A 67 25.640 27.088 26.323 1.00 0.00 C ATOM 1063 O LEU A 67 25.743 28.269 26.652 1.00 0.00 O ATOM 1064 CB LEU A 67 24.483 26.752 24.274 1.00 0.00 C ATOM 1065 CG LEU A 67 23.896 25.621 23.424 1.00 0.00 C ATOM 1066 CD1 LEU A 67 22.393 25.413 23.590 1.00 0.00 C ATOM 1067 CD2 LEU A 67 24.306 25.675 21.954 1.00 0.00 C ATOM 0 H LEU A 67 22.878 27.983 25.592 1.00 0.00 H new ATOM 0 HA LEU A 67 24.167 25.513 26.111 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.002 27.690 23.996 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.543 26.856 24.041 1.00 0.00 H new ATOM 0 HG LEU A 67 24.362 24.729 23.842 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.066 24.593 22.951 1.00 0.00 H new ATOM 0 HD12 LEU A 67 22.172 25.173 24.630 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.866 26.325 23.308 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.851 24.842 21.418 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.969 26.615 21.517 1.00 0.00 H new ATOM 0 HD23 LEU A 67 25.391 25.607 21.876 1.00 0.00 H new ATOM 1079 N HIS A 68 26.676 26.247 26.389 1.00 0.00 N ATOM 1080 CA HIS A 68 28.006 26.546 26.874 1.00 0.00 C ATOM 1081 C HIS A 68 28.970 26.163 25.754 1.00 0.00 C ATOM 1082 O HIS A 68 28.948 24.996 25.387 1.00 0.00 O ATOM 1083 CB HIS A 68 28.227 25.864 28.226 1.00 0.00 C ATOM 1084 CG HIS A 68 27.836 26.712 29.414 1.00 0.00 C ATOM 1085 ND1 HIS A 68 28.773 27.365 30.219 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.587 27.051 29.855 1.00 0.00 C ATOM 1087 CE1 HIS A 68 28.069 28.136 31.049 1.00 0.00 C ATOM 1088 NE2 HIS A 68 26.751 27.900 30.943 1.00 0.00 N ATOM 0 H HIS A 68 26.591 25.278 26.082 1.00 0.00 H new ATOM 0 HA HIS A 68 28.173 27.601 27.091 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.655 24.936 28.251 1.00 0.00 H new ATOM 0 HB3 HIS A 68 29.279 25.593 28.317 1.00 0.00 H new ATOM 0 HD2 HIS A 68 25.648 26.721 29.436 1.00 0.00 H new ATOM 0 HE1 HIS A 68 28.504 28.860 31.722 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.015 28.271 31.543 1.00 0.00 H new ATOM 1096 N LEU A 69 29.767 27.113 25.258 1.00 0.00 N ATOM 1097 CA LEU A 69 30.851 26.897 24.325 1.00 0.00 C ATOM 1098 C LEU A 69 32.133 26.556 25.098 1.00 0.00 C ATOM 1099 O LEU A 69 32.407 27.299 26.034 1.00 0.00 O ATOM 1100 CB LEU A 69 30.968 28.202 23.547 1.00 0.00 C ATOM 1101 CG LEU A 69 32.168 28.401 22.619 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.677 28.042 21.216 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.858 29.756 22.731 1.00 0.00 C ATOM 0 H LEU A 69 29.661 28.095 25.514 1.00 0.00 H new ATOM 0 HA LEU A 69 30.678 26.062 23.646 1.00 0.00 H new ATOM 0 HB2 LEU A 69 30.065 28.311 22.947 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.970 29.018 24.270 1.00 0.00 H new ATOM 0 HG LEU A 69 32.986 27.745 22.916 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.492 28.164 20.503 1.00 0.00 H new ATOM 0 HD12 LEU A 69 31.336 27.007 21.204 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.852 28.699 20.940 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.694 29.797 22.033 1.00 0.00 H new ATOM 0 HD22 LEU A 69 32.147 30.547 22.492 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.226 29.894 23.748 1.00 0.00 H new ATOM 1115 N VAL A 70 32.884 25.571 24.629 1.00 0.00 N ATOM 1116 CA VAL A 70 34.121 25.102 25.226 1.00 0.00 C ATOM 1117 C VAL A 70 35.111 24.794 24.094 1.00 0.00 C ATOM 1118 O VAL A 70 34.684 24.729 22.940 1.00 0.00 O ATOM 1119 CB VAL A 70 33.872 24.008 26.250 1.00 0.00 C ATOM 1120 CG1 VAL A 70 32.775 24.232 27.292 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.711 22.586 25.700 1.00 0.00 C ATOM 0 H VAL A 70 32.635 25.056 23.785 1.00 0.00 H new ATOM 0 HA VAL A 70 34.598 25.870 25.836 1.00 0.00 H new ATOM 0 HB VAL A 70 34.830 24.097 26.762 1.00 0.00 H new ATOM 0 HG11 VAL A 70 32.717 23.366 27.951 1.00 0.00 H new ATOM 0 HG12 VAL A 70 33.007 25.120 27.880 1.00 0.00 H new ATOM 0 HG13 VAL A 70 31.818 24.370 26.789 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.538 21.894 26.525 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.863 22.554 25.016 1.00 0.00 H new ATOM 0 HG23 VAL A 70 34.617 22.297 25.168 1.00 0.00 H new ATOM 1131 N LEU A 71 36.395 24.605 24.369 1.00 0.00 N ATOM 1132 CA LEU A 71 37.395 24.194 23.402 1.00 0.00 C ATOM 1133 C LEU A 71 37.731 22.712 23.464 1.00 0.00 C ATOM 1134 O LEU A 71 37.615 22.048 24.502 1.00 0.00 O ATOM 1135 CB LEU A 71 38.657 25.016 23.700 1.00 0.00 C ATOM 1136 CG LEU A 71 38.678 26.277 22.840 1.00 0.00 C ATOM 1137 CD1 LEU A 71 39.201 27.359 23.800 1.00 0.00 C ATOM 1138 CD2 LEU A 71 39.682 26.323 21.682 1.00 0.00 C ATOM 0 H LEU A 71 36.778 24.739 25.305 1.00 0.00 H new ATOM 0 HA LEU A 71 37.002 24.367 22.400 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.683 25.286 24.756 1.00 0.00 H new ATOM 0 HB3 LEU A 71 39.546 24.417 23.502 1.00 0.00 H new ATOM 0 HG LEU A 71 37.684 26.371 22.402 1.00 0.00 H new ATOM 0 HD11 LEU A 71 39.255 28.314 23.277 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.525 27.449 24.650 1.00 0.00 H new ATOM 0 HD13 LEU A 71 40.194 27.082 24.154 1.00 0.00 H new ATOM 0 HD21 LEU A 71 39.588 27.273 21.157 1.00 0.00 H new ATOM 0 HD22 LEU A 71 40.694 26.223 22.074 1.00 0.00 H new ATOM 0 HD23 LEU A 71 39.478 25.505 20.991 1.00 0.00 H new