USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 66 THR OG1 : rot -170:sc= 0.0673 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.886 K(o=-0.82,f=-2.6!) USER MOD Set 2.1: A 55 THR OG1 : rot 109:sc= 1.25 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 1.04 USER MOD Set 3.1: A 7 THR OG1 : rot -57:sc= 1.16 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 150:sc= -0.0164 (180deg=-0.176) USER MOD Single : A 1 MET N :NH3+ 166:sc= 0.177 (180deg=-0.687) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.0532 (180deg=-0.452) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -82:sc= 0.252 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= -4.02! C(o=-4!,f=-7!) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -3.59 (180deg=-3.96) USER MOD Single : A 29 LYS NZ :NH3+ -121:sc=-0.00572 (180deg=-0.186) USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -152:sc= -0.187 (180deg=-0.958) USER MOD Single : A 40 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.3!) USER MOD Single : A 41 GLN : amide:sc= -1.52 K(o=-1.5,f=-6.1!) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.183) USER MOD Single : A 49 GLN : amide:sc= -2.61! X(o=-2.6!,f=-2.1) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.425 USER MOD Single : A 60 ASN : amide:sc= -0.823 K(o=-0.82,f=-3.3!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.717 24.814 1.285 1.00 0.00 N ATOM 2 CA MET A 1 30.447 25.587 1.215 1.00 0.00 C ATOM 3 C MET A 1 30.611 26.903 1.969 1.00 0.00 C ATOM 4 O MET A 1 31.707 27.470 2.021 1.00 0.00 O ATOM 5 CB MET A 1 29.310 24.762 1.827 1.00 0.00 C ATOM 6 CG MET A 1 29.609 24.477 3.302 1.00 0.00 C ATOM 7 SD MET A 1 28.417 23.270 3.933 1.00 0.00 S ATOM 8 CE MET A 1 28.828 23.441 5.686 1.00 0.00 C ATOM 0 H1 MET A 1 31.543 23.833 0.986 1.00 0.00 H new ATOM 0 H2 MET A 1 32.423 25.248 0.656 1.00 0.00 H new ATOM 0 H3 MET A 1 32.074 24.820 2.262 1.00 0.00 H new ATOM 0 HA MET A 1 30.205 25.803 0.174 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.367 25.302 1.736 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.195 23.825 1.282 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.624 24.094 3.412 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.552 25.399 3.881 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.943 23.238 6.289 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.614 22.732 5.946 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.175 24.456 5.881 1.00 0.00 H new ATOM 20 N GLN A 2 29.519 27.381 2.566 1.00 0.00 N ATOM 21 CA GLN A 2 29.546 28.628 3.323 1.00 0.00 C ATOM 22 C GLN A 2 28.600 28.554 4.521 1.00 0.00 C ATOM 23 O GLN A 2 27.593 27.851 4.488 1.00 0.00 O ATOM 24 CB GLN A 2 29.132 29.787 2.414 1.00 0.00 C ATOM 25 CG GLN A 2 27.708 29.554 1.904 1.00 0.00 C ATOM 26 CD GLN A 2 27.369 30.571 0.819 1.00 0.00 C ATOM 27 OE1 GLN A 2 28.245 31.297 0.351 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.140 30.666 0.388 1.00 0.00 N ATOM 0 H GLN A 2 28.608 26.923 2.539 1.00 0.00 H new ATOM 0 HA GLN A 2 30.559 28.790 3.690 1.00 0.00 H new ATOM 0 HB2 GLN A 2 29.184 30.728 2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.822 29.868 1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.616 28.543 1.508 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.999 29.639 2.728 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.415 30.063 0.777 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.905 31.343 -0.338 1.00 0.00 H new ATOM 37 N ILE A 3 28.940 29.294 5.573 1.00 0.00 N ATOM 38 CA ILE A 3 28.123 29.325 6.784 1.00 0.00 C ATOM 39 C ILE A 3 28.099 30.726 7.388 1.00 0.00 C ATOM 40 O ILE A 3 29.072 31.469 7.300 1.00 0.00 O ATOM 41 CB ILE A 3 28.669 28.335 7.814 1.00 0.00 C ATOM 42 CG1 ILE A 3 30.111 28.703 8.189 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.647 26.921 7.233 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.572 27.842 9.364 1.00 0.00 C ATOM 0 H ILE A 3 29.774 29.880 5.612 1.00 0.00 H new ATOM 0 HA ILE A 3 27.106 29.043 6.512 1.00 0.00 H new ATOM 0 HB ILE A 3 28.043 28.377 8.705 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.770 28.551 7.334 1.00 0.00 H new ATOM 0 HG13 ILE A 3 30.170 29.759 8.454 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.037 26.219 7.970 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.623 26.648 6.978 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.266 26.886 6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.596 28.105 9.628 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.920 28.016 10.220 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.529 26.790 9.083 1.00 0.00 H new ATOM 56 N PHE A 4 26.972 31.080 7.994 1.00 0.00 N ATOM 57 CA PHE A 4 26.809 32.396 8.613 1.00 0.00 C ATOM 58 C PHE A 4 27.093 32.317 10.108 1.00 0.00 C ATOM 59 O PHE A 4 26.498 31.499 10.809 1.00 0.00 O ATOM 60 CB PHE A 4 25.380 32.893 8.393 1.00 0.00 C ATOM 61 CG PHE A 4 25.189 33.274 6.944 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.849 32.295 6.004 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.343 34.607 6.543 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.664 32.648 4.662 1.00 0.00 C ATOM 65 CE2 PHE A 4 25.159 34.959 5.201 1.00 0.00 C ATOM 66 CZ PHE A 4 24.818 33.980 4.260 1.00 0.00 C ATOM 0 H PHE A 4 26.154 30.475 8.072 1.00 0.00 H new ATOM 0 HA PHE A 4 27.514 33.089 8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.668 32.116 8.671 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.181 33.752 9.034 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.729 31.267 6.314 1.00 0.00 H new ATOM 0 HD2 PHE A 4 25.604 35.363 7.269 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.402 31.892 3.936 1.00 0.00 H new ATOM 0 HE2 PHE A 4 25.280 35.986 4.891 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.674 34.252 3.225 1.00 0.00 H new ATOM 76 N VAL A 5 27.986 33.182 10.609 1.00 0.00 N ATOM 77 CA VAL A 5 28.319 33.200 12.034 1.00 0.00 C ATOM 78 C VAL A 5 27.839 34.494 12.673 1.00 0.00 C ATOM 79 O VAL A 5 28.321 35.584 12.364 1.00 0.00 O ATOM 80 CB VAL A 5 29.831 33.048 12.222 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.213 33.367 13.675 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.215 31.602 11.914 1.00 0.00 C ATOM 0 H VAL A 5 28.486 33.873 10.050 1.00 0.00 H new ATOM 0 HA VAL A 5 27.817 32.364 12.521 1.00 0.00 H new ATOM 0 HB VAL A 5 30.354 33.734 11.555 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.290 33.257 13.801 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.923 34.391 13.911 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.697 32.680 14.346 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.290 31.476 12.043 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.687 30.933 12.593 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.943 31.364 10.886 1.00 0.00 H new ATOM 92 N LYS A 6 26.878 34.347 13.560 1.00 0.00 N ATOM 93 CA LYS A 6 26.299 35.487 14.258 1.00 0.00 C ATOM 94 C LYS A 6 27.070 35.776 15.549 1.00 0.00 C ATOM 95 O LYS A 6 26.960 35.034 16.530 1.00 0.00 O ATOM 96 CB LYS A 6 24.842 35.161 14.571 1.00 0.00 C ATOM 97 CG LYS A 6 24.067 36.430 14.910 1.00 0.00 C ATOM 98 CD LYS A 6 22.588 36.062 15.069 1.00 0.00 C ATOM 99 CE LYS A 6 21.747 37.324 15.253 1.00 0.00 C ATOM 100 NZ LYS A 6 20.311 36.943 15.385 1.00 0.00 N ATOM 0 H LYS A 6 26.476 33.446 13.819 1.00 0.00 H new ATOM 0 HA LYS A 6 26.359 36.377 13.631 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.383 34.666 13.715 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.792 34.464 15.407 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.449 36.874 15.829 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.191 37.173 14.122 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.246 35.513 14.192 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.460 35.403 15.927 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.074 37.867 16.140 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.881 37.992 14.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.735 37.800 15.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.004 36.442 14.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.191 36.321 16.210 1.00 0.00 H new ATOM 114 N THR A 7 27.850 36.858 15.540 1.00 0.00 N ATOM 115 CA THR A 7 28.635 37.233 16.717 1.00 0.00 C ATOM 116 C THR A 7 27.723 37.817 17.792 1.00 0.00 C ATOM 117 O THR A 7 26.563 38.130 17.522 1.00 0.00 O ATOM 118 CB THR A 7 29.711 38.255 16.336 1.00 0.00 C ATOM 119 OG1 THR A 7 29.090 39.451 15.892 1.00 0.00 O ATOM 120 CG2 THR A 7 30.594 37.684 15.221 1.00 0.00 C ATOM 0 H THR A 7 27.955 37.483 14.741 1.00 0.00 H new ATOM 0 HA THR A 7 29.121 36.340 17.109 1.00 0.00 H new ATOM 0 HB THR A 7 30.331 38.471 17.206 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.500 39.252 15.135 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.358 38.413 14.952 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.073 36.768 15.569 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.980 37.463 14.348 1.00 0.00 H new ATOM 128 N LEU A 8 28.239 37.973 19.011 1.00 0.00 N ATOM 129 CA LEU A 8 27.435 38.524 20.098 1.00 0.00 C ATOM 130 C LEU A 8 27.317 40.040 19.979 1.00 0.00 C ATOM 131 O LEU A 8 26.349 40.630 20.459 1.00 0.00 O ATOM 132 CB LEU A 8 28.068 38.167 21.449 1.00 0.00 C ATOM 133 CG LEU A 8 28.033 36.639 21.660 1.00 0.00 C ATOM 134 CD1 LEU A 8 29.094 36.226 22.687 1.00 0.00 C ATOM 135 CD2 LEU A 8 26.649 36.208 22.172 1.00 0.00 C ATOM 0 H LEU A 8 29.196 37.729 19.267 1.00 0.00 H new ATOM 0 HA LEU A 8 26.437 38.091 20.032 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.097 38.524 21.483 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.531 38.666 22.255 1.00 0.00 H new ATOM 0 HG LEU A 8 28.238 36.154 20.706 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.062 35.146 22.829 1.00 0.00 H new ATOM 0 HD12 LEU A 8 30.081 36.515 22.327 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.894 36.723 23.636 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.635 35.128 22.318 1.00 0.00 H new ATOM 0 HD22 LEU A 8 26.441 36.705 23.120 1.00 0.00 H new ATOM 0 HD23 LEU A 8 25.888 36.486 21.442 1.00 0.00 H new ATOM 147 N THR A 9 28.299 40.669 19.343 1.00 0.00 N ATOM 148 CA THR A 9 28.274 42.118 19.181 1.00 0.00 C ATOM 149 C THR A 9 27.205 42.525 18.174 1.00 0.00 C ATOM 150 O THR A 9 26.962 43.712 17.959 1.00 0.00 O ATOM 151 CB THR A 9 29.641 42.625 18.715 1.00 0.00 C ATOM 152 OG1 THR A 9 29.936 42.084 17.435 1.00 0.00 O ATOM 153 CG2 THR A 9 30.716 42.196 19.715 1.00 0.00 C ATOM 0 H THR A 9 29.112 40.206 18.936 1.00 0.00 H new ATOM 0 HA THR A 9 28.038 42.565 20.147 1.00 0.00 H new ATOM 0 HB THR A 9 29.622 43.713 18.652 1.00 0.00 H new ATOM 0 HG1 THR A 9 30.811 42.410 17.136 1.00 0.00 H new ATOM 0 HG21 THR A 9 31.689 42.558 19.381 1.00 0.00 H new ATOM 0 HG22 THR A 9 30.489 42.616 20.695 1.00 0.00 H new ATOM 0 HG23 THR A 9 30.737 41.108 19.782 1.00 0.00 H new ATOM 161 N GLY A 10 26.562 41.534 17.562 1.00 0.00 N ATOM 162 CA GLY A 10 25.514 41.803 16.583 1.00 0.00 C ATOM 163 C GLY A 10 26.095 41.938 15.183 1.00 0.00 C ATOM 164 O GLY A 10 25.390 42.309 14.244 1.00 0.00 O ATOM 0 H GLY A 10 26.747 40.544 17.725 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.781 40.997 16.600 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.987 42.719 16.852 1.00 0.00 H new ATOM 168 N LYS A 11 27.377 41.608 15.037 1.00 0.00 N ATOM 169 CA LYS A 11 28.034 41.667 13.734 1.00 0.00 C ATOM 170 C LYS A 11 27.995 40.293 13.077 1.00 0.00 C ATOM 171 O LYS A 11 28.491 39.316 13.635 1.00 0.00 O ATOM 172 CB LYS A 11 29.485 42.128 13.892 1.00 0.00 C ATOM 173 CG LYS A 11 29.512 43.586 14.367 1.00 0.00 C ATOM 174 CD LYS A 11 30.959 44.088 14.410 1.00 0.00 C ATOM 175 CE LYS A 11 30.984 45.536 14.906 1.00 0.00 C ATOM 176 NZ LYS A 11 30.286 46.410 13.922 1.00 0.00 N ATOM 0 H LYS A 11 27.978 41.299 15.801 1.00 0.00 H new ATOM 0 HA LYS A 11 27.506 42.383 13.104 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.003 41.492 14.609 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.013 42.034 12.943 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.921 44.208 13.695 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.060 43.665 15.356 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.555 43.457 15.069 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.407 44.025 13.418 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.499 45.607 15.880 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.014 45.869 15.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 30.569 47.399 14.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.544 46.121 12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 29.257 46.321 14.047 1.00 0.00 H new ATOM 190 N THR A 12 27.400 40.217 11.895 1.00 0.00 N ATOM 191 CA THR A 12 27.298 38.948 11.177 1.00 0.00 C ATOM 192 C THR A 12 28.359 38.865 10.086 1.00 0.00 C ATOM 193 O THR A 12 28.491 39.776 9.268 1.00 0.00 O ATOM 194 CB THR A 12 25.914 38.833 10.539 1.00 0.00 C ATOM 195 OG1 THR A 12 24.921 38.986 11.543 1.00 0.00 O ATOM 196 CG2 THR A 12 25.764 37.461 9.876 1.00 0.00 C ATOM 0 H THR A 12 26.982 41.012 11.412 1.00 0.00 H new ATOM 0 HA THR A 12 27.452 38.134 11.885 1.00 0.00 H new ATOM 0 HB THR A 12 25.796 39.611 9.785 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.032 38.915 11.137 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.776 37.382 9.422 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.527 37.343 9.107 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.882 36.679 10.627 1.00 0.00 H new ATOM 204 N ILE A 13 29.108 37.762 10.067 1.00 0.00 N ATOM 205 CA ILE A 13 30.149 37.565 9.057 1.00 0.00 C ATOM 206 C ILE A 13 30.098 36.139 8.527 1.00 0.00 C ATOM 207 O ILE A 13 29.951 35.184 9.290 1.00 0.00 O ATOM 208 CB ILE A 13 31.527 37.835 9.656 1.00 0.00 C ATOM 209 CG1 ILE A 13 31.649 37.112 11.003 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.708 39.341 9.853 1.00 0.00 C ATOM 211 CD1 ILE A 13 33.053 37.314 11.567 1.00 0.00 C ATOM 0 H ILE A 13 29.015 36.996 10.734 1.00 0.00 H new ATOM 0 HA ILE A 13 29.973 38.263 8.238 1.00 0.00 H new ATOM 0 HB ILE A 13 32.300 37.466 8.982 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.906 37.497 11.702 1.00 0.00 H new ATOM 0 HG13 ILE A 13 31.447 36.049 10.876 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.691 39.536 10.281 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.624 39.847 8.891 1.00 0.00 H new ATOM 0 HG23 ILE A 13 30.938 39.715 10.528 1.00 0.00 H new ATOM 0 HD11 ILE A 13 33.138 36.800 12.524 1.00 0.00 H new ATOM 0 HD12 ILE A 13 33.787 36.908 10.871 1.00 0.00 H new ATOM 0 HD13 ILE A 13 33.238 38.379 11.710 1.00 0.00 H new ATOM 223 N THR A 14 30.185 36.005 7.208 1.00 0.00 N ATOM 224 CA THR A 14 30.117 34.691 6.574 1.00 0.00 C ATOM 225 C THR A 14 31.474 33.992 6.602 1.00 0.00 C ATOM 226 O THR A 14 32.526 34.631 6.558 1.00 0.00 O ATOM 227 CB THR A 14 29.630 34.836 5.129 1.00 0.00 C ATOM 228 OG1 THR A 14 28.380 35.512 5.127 1.00 0.00 O ATOM 229 CG2 THR A 14 29.460 33.450 4.494 1.00 0.00 C ATOM 0 H THR A 14 30.302 36.784 6.560 1.00 0.00 H new ATOM 0 HA THR A 14 29.412 34.078 7.135 1.00 0.00 H new ATOM 0 HB THR A 14 30.362 35.404 4.555 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.662 34.873 5.321 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.113 33.561 3.466 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.416 32.927 4.500 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.729 32.876 5.064 1.00 0.00 H new ATOM 237 N LEU A 15 31.420 32.666 6.702 1.00 0.00 N ATOM 238 CA LEU A 15 32.616 31.828 6.768 1.00 0.00 C ATOM 239 C LEU A 15 32.607 30.786 5.646 1.00 0.00 C ATOM 240 O LEU A 15 31.604 30.110 5.419 1.00 0.00 O ATOM 241 CB LEU A 15 32.638 31.114 8.146 1.00 0.00 C ATOM 242 CG LEU A 15 33.998 31.276 8.843 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.101 32.677 9.448 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.116 30.233 9.961 1.00 0.00 C ATOM 0 H LEU A 15 30.546 32.141 6.740 1.00 0.00 H new ATOM 0 HA LEU A 15 33.503 32.450 6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.852 31.522 8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.421 30.054 8.011 1.00 0.00 H new ATOM 0 HG LEU A 15 34.799 31.135 8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.066 32.790 9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.008 33.422 8.658 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.302 32.819 10.176 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.079 30.342 10.460 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.314 30.382 10.684 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.039 29.233 9.535 1.00 0.00 H new ATOM 256 N GLU A 16 33.744 30.643 4.974 1.00 0.00 N ATOM 257 CA GLU A 16 33.873 29.649 3.906 1.00 0.00 C ATOM 258 C GLU A 16 34.569 28.418 4.468 1.00 0.00 C ATOM 259 O GLU A 16 35.674 28.516 5.004 1.00 0.00 O ATOM 260 CB GLU A 16 34.689 30.213 2.740 1.00 0.00 C ATOM 261 CG GLU A 16 33.893 31.320 2.045 1.00 0.00 C ATOM 262 CD GLU A 16 33.807 32.543 2.950 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.671 32.689 3.799 1.00 0.00 O ATOM 264 OE2 GLU A 16 32.878 33.316 2.782 1.00 0.00 O ATOM 0 H GLU A 16 34.584 31.195 5.145 1.00 0.00 H new ATOM 0 HA GLU A 16 32.882 29.387 3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 16 35.638 30.607 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.924 29.420 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.371 31.587 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.891 30.964 1.804 1.00 0.00 H new ATOM 271 N VAL A 17 33.927 27.258 4.349 1.00 0.00 N ATOM 272 CA VAL A 17 34.512 26.017 4.868 1.00 0.00 C ATOM 273 C VAL A 17 34.099 24.827 4.016 1.00 0.00 C ATOM 274 O VAL A 17 33.161 24.892 3.223 1.00 0.00 O ATOM 275 CB VAL A 17 34.093 25.801 6.342 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.610 26.131 6.534 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.324 24.352 6.789 1.00 0.00 C ATOM 0 H VAL A 17 33.015 27.148 3.905 1.00 0.00 H new ATOM 0 HA VAL A 17 35.598 26.105 4.824 1.00 0.00 H new ATOM 0 HB VAL A 17 34.710 26.466 6.946 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.334 25.973 7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.431 27.172 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.008 25.483 5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.018 24.239 7.829 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.737 23.680 6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.381 24.106 6.693 1.00 0.00 H new ATOM 287 N GLU A 18 34.813 23.733 4.221 1.00 0.00 N ATOM 288 CA GLU A 18 34.542 22.483 3.507 1.00 0.00 C ATOM 289 C GLU A 18 33.650 21.577 4.373 1.00 0.00 C ATOM 290 O GLU A 18 33.969 21.345 5.534 1.00 0.00 O ATOM 291 CB GLU A 18 35.850 21.759 3.189 1.00 0.00 C ATOM 292 CG GLU A 18 36.742 22.677 2.352 1.00 0.00 C ATOM 293 CD GLU A 18 37.926 21.892 1.800 1.00 0.00 C ATOM 294 OE1 GLU A 18 37.712 20.784 1.336 1.00 0.00 O ATOM 295 OE2 GLU A 18 39.029 22.409 1.851 1.00 0.00 O ATOM 0 H GLU A 18 35.591 23.679 4.879 1.00 0.00 H new ATOM 0 HA GLU A 18 34.031 22.715 2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 18 36.359 21.480 4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 18 35.646 20.836 2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 18 36.167 23.108 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 18 37.098 23.507 2.962 1.00 0.00 H new ATOM 302 N PRO A 19 32.550 21.064 3.871 1.00 0.00 N ATOM 303 CA PRO A 19 31.662 20.180 4.686 1.00 0.00 C ATOM 304 C PRO A 19 32.448 19.082 5.411 1.00 0.00 C ATOM 305 O PRO A 19 32.049 18.624 6.481 1.00 0.00 O ATOM 306 CB PRO A 19 30.692 19.585 3.653 1.00 0.00 C ATOM 307 CG PRO A 19 30.650 20.580 2.537 1.00 0.00 C ATOM 308 CD PRO A 19 32.020 21.258 2.507 1.00 0.00 C ATOM 0 HA PRO A 19 31.154 20.727 5.481 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.038 18.613 3.301 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.702 19.434 4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.440 20.089 1.587 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.859 21.312 2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 19 32.671 20.807 1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.935 22.316 2.259 1.00 0.00 H new ATOM 316 N SER A 20 33.562 18.662 4.817 1.00 0.00 N ATOM 317 CA SER A 20 34.392 17.614 5.411 1.00 0.00 C ATOM 318 C SER A 20 35.348 18.202 6.445 1.00 0.00 C ATOM 319 O SER A 20 36.163 17.489 7.031 1.00 0.00 O ATOM 320 CB SER A 20 35.200 16.915 4.316 1.00 0.00 C ATOM 321 OG SER A 20 34.321 16.479 3.287 1.00 0.00 O ATOM 0 H SER A 20 33.910 19.027 3.931 1.00 0.00 H new ATOM 0 HA SER A 20 33.738 16.896 5.906 1.00 0.00 H new ATOM 0 HB2 SER A 20 35.946 17.597 3.908 1.00 0.00 H new ATOM 0 HB3 SER A 20 35.740 16.065 4.733 1.00 0.00 H new ATOM 0 HG SER A 20 34.837 16.032 2.584 1.00 0.00 H new ATOM 327 N ASP A 21 35.219 19.501 6.684 1.00 0.00 N ATOM 328 CA ASP A 21 36.048 20.180 7.669 1.00 0.00 C ATOM 329 C ASP A 21 35.584 19.846 9.081 1.00 0.00 C ATOM 330 O ASP A 21 34.393 19.639 9.322 1.00 0.00 O ATOM 331 CB ASP A 21 35.994 21.687 7.452 1.00 0.00 C ATOM 332 CG ASP A 21 37.161 22.371 8.152 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.977 21.669 8.723 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.221 23.589 8.106 1.00 0.00 O ATOM 0 H ASP A 21 34.548 20.105 6.209 1.00 0.00 H new ATOM 0 HA ASP A 21 37.076 19.837 7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.023 21.908 6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 21 35.052 22.081 7.834 1.00 0.00 H new ATOM 339 N THR A 22 36.523 19.819 10.013 1.00 0.00 N ATOM 340 CA THR A 22 36.201 19.532 11.407 1.00 0.00 C ATOM 341 C THR A 22 35.764 20.804 12.130 1.00 0.00 C ATOM 342 O THR A 22 35.894 21.916 11.606 1.00 0.00 O ATOM 343 CB THR A 22 37.412 18.924 12.120 1.00 0.00 C ATOM 344 OG1 THR A 22 38.473 19.867 12.134 1.00 0.00 O ATOM 345 CG2 THR A 22 37.856 17.660 11.381 1.00 0.00 C ATOM 0 H THR A 22 37.512 19.991 9.833 1.00 0.00 H new ATOM 0 HA THR A 22 35.380 18.816 11.425 1.00 0.00 H new ATOM 0 HB THR A 22 37.143 18.667 13.145 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.248 19.480 12.592 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.718 17.226 11.888 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.039 16.938 11.372 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.127 17.914 10.356 1.00 0.00 H new ATOM 353 N ILE A 23 35.276 20.645 13.350 1.00 0.00 N ATOM 354 CA ILE A 23 34.862 21.803 14.129 1.00 0.00 C ATOM 355 C ILE A 23 36.094 22.578 14.581 1.00 0.00 C ATOM 356 O ILE A 23 36.174 23.790 14.396 1.00 0.00 O ATOM 357 CB ILE A 23 34.029 21.363 15.338 1.00 0.00 C ATOM 358 CG1 ILE A 23 33.013 20.298 14.903 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.280 22.562 15.920 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.297 20.738 13.620 1.00 0.00 C ATOM 0 H ILE A 23 35.158 19.745 13.816 1.00 0.00 H new ATOM 0 HA ILE A 23 34.243 22.450 13.508 1.00 0.00 H new ATOM 0 HB ILE A 23 34.695 20.950 16.095 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.521 19.348 14.737 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.284 20.135 15.697 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.690 22.241 16.779 1.00 0.00 H new ATOM 0 HG22 ILE A 23 33.997 23.321 16.235 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.618 22.981 15.162 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.579 19.973 13.323 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.773 21.677 13.799 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.029 20.877 12.824 1.00 0.00 H new ATOM 372 N GLU A 24 37.069 21.867 15.145 1.00 0.00 N ATOM 373 CA GLU A 24 38.305 22.506 15.590 1.00 0.00 C ATOM 374 C GLU A 24 38.801 23.467 14.516 1.00 0.00 C ATOM 375 O GLU A 24 39.510 24.432 14.801 1.00 0.00 O ATOM 376 CB GLU A 24 39.378 21.453 15.869 1.00 0.00 C ATOM 377 CG GLU A 24 38.799 20.354 16.760 1.00 0.00 C ATOM 378 CD GLU A 24 38.304 20.951 18.073 1.00 0.00 C ATOM 379 OE1 GLU A 24 39.088 21.014 19.006 1.00 0.00 O ATOM 380 OE2 GLU A 24 37.149 21.341 18.126 1.00 0.00 O ATOM 0 H GLU A 24 37.028 20.860 15.303 1.00 0.00 H new ATOM 0 HA GLU A 24 38.104 23.057 16.509 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.734 21.025 14.932 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.237 21.915 16.356 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.978 19.854 16.247 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.559 19.598 16.959 1.00 0.00 H new ATOM 387 N ASN A 25 38.383 23.211 13.282 1.00 0.00 N ATOM 388 CA ASN A 25 38.758 24.079 12.170 1.00 0.00 C ATOM 389 C ASN A 25 37.940 25.361 12.240 1.00 0.00 C ATOM 390 O ASN A 25 38.490 26.454 12.375 1.00 0.00 O ATOM 391 CB ASN A 25 38.513 23.384 10.830 1.00 0.00 C ATOM 392 CG ASN A 25 39.210 24.154 9.712 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.058 25.371 9.607 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.969 23.513 8.866 1.00 0.00 N ATOM 0 H ASN A 25 37.792 22.420 13.027 1.00 0.00 H new ATOM 0 HA ASN A 25 39.821 24.309 12.246 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.887 22.361 10.867 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.443 23.325 10.631 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.438 24.020 8.116 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.093 22.505 8.955 1.00 0.00 H new ATOM 401 N VAL A 26 36.619 25.219 12.147 1.00 0.00 N ATOM 402 CA VAL A 26 35.733 26.380 12.209 1.00 0.00 C ATOM 403 C VAL A 26 36.105 27.265 13.387 1.00 0.00 C ATOM 404 O VAL A 26 35.852 28.474 13.386 1.00 0.00 O ATOM 405 CB VAL A 26 34.286 25.917 12.354 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.356 27.129 12.406 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.929 25.054 11.158 1.00 0.00 C ATOM 0 H VAL A 26 36.143 24.324 12.030 1.00 0.00 H new ATOM 0 HA VAL A 26 35.841 26.953 11.288 1.00 0.00 H new ATOM 0 HB VAL A 26 34.173 25.345 13.275 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.325 26.792 12.510 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.621 27.754 13.259 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.459 27.706 11.487 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.897 24.716 11.249 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.041 25.636 10.243 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.592 24.190 11.122 1.00 0.00 H new ATOM 417 N LYS A 27 36.723 26.652 14.380 1.00 0.00 N ATOM 418 CA LYS A 27 37.150 27.379 15.566 1.00 0.00 C ATOM 419 C LYS A 27 38.375 28.210 15.234 1.00 0.00 C ATOM 420 O LYS A 27 38.427 29.407 15.514 1.00 0.00 O ATOM 421 CB LYS A 27 37.481 26.396 16.693 1.00 0.00 C ATOM 422 CG LYS A 27 36.213 25.640 17.110 1.00 0.00 C ATOM 423 CD LYS A 27 36.399 25.043 18.508 1.00 0.00 C ATOM 424 CE LYS A 27 35.300 24.011 18.772 1.00 0.00 C ATOM 425 NZ LYS A 27 33.973 24.610 18.464 1.00 0.00 N ATOM 0 H LYS A 27 36.941 25.656 14.391 1.00 0.00 H new ATOM 0 HA LYS A 27 36.344 28.034 15.895 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.243 25.691 16.361 1.00 0.00 H new ATOM 0 HB3 LYS A 27 37.893 26.933 17.547 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.358 26.316 17.104 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.998 24.848 16.392 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.380 24.574 18.587 1.00 0.00 H new ATOM 0 HD3 LYS A 27 36.361 25.831 19.260 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.463 23.125 18.158 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.332 23.688 19.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.223 24.028 18.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 33.928 25.573 18.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.840 24.648 17.433 1.00 0.00 H new ATOM 439 N ALA A 28 39.357 27.558 14.633 1.00 0.00 N ATOM 440 CA ALA A 28 40.589 28.226 14.256 1.00 0.00 C ATOM 441 C ALA A 28 40.291 29.466 13.415 1.00 0.00 C ATOM 442 O ALA A 28 40.999 30.468 13.504 1.00 0.00 O ATOM 443 CB ALA A 28 41.460 27.258 13.459 1.00 0.00 C ATOM 0 H ALA A 28 39.324 26.566 14.396 1.00 0.00 H new ATOM 0 HA ALA A 28 41.114 28.540 15.158 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.387 27.754 13.173 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.689 26.386 14.072 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.926 26.942 12.563 1.00 0.00 H new ATOM 449 N LYS A 29 39.229 29.395 12.616 1.00 0.00 N ATOM 450 CA LYS A 29 38.845 30.532 11.789 1.00 0.00 C ATOM 451 C LYS A 29 38.346 31.677 12.674 1.00 0.00 C ATOM 452 O LYS A 29 38.934 32.759 12.699 1.00 0.00 O ATOM 453 CB LYS A 29 37.763 30.119 10.786 1.00 0.00 C ATOM 454 CG LYS A 29 38.419 29.432 9.579 1.00 0.00 C ATOM 455 CD LYS A 29 37.385 28.591 8.842 1.00 0.00 C ATOM 456 CE LYS A 29 38.056 27.858 7.677 1.00 0.00 C ATOM 457 NZ LYS A 29 38.421 28.840 6.616 1.00 0.00 N ATOM 0 H LYS A 29 38.629 28.575 12.525 1.00 0.00 H new ATOM 0 HA LYS A 29 39.717 30.874 11.232 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.051 29.443 11.260 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.202 30.994 10.459 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.839 30.180 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.244 28.802 9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.932 27.872 9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.582 29.227 8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.947 27.336 8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.382 27.103 7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.947 28.583 5.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.120 29.792 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.451 28.831 6.474 1.00 0.00 H new ATOM 471 N ILE A 30 37.248 31.434 13.384 1.00 0.00 N ATOM 472 CA ILE A 30 36.666 32.440 14.254 1.00 0.00 C ATOM 473 C ILE A 30 37.720 33.029 15.198 1.00 0.00 C ATOM 474 O ILE A 30 37.732 34.235 15.447 1.00 0.00 O ATOM 475 CB ILE A 30 35.527 31.795 15.053 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.330 31.542 14.128 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.097 32.721 16.189 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.347 30.591 14.813 1.00 0.00 C ATOM 0 H ILE A 30 36.746 30.546 13.371 1.00 0.00 H new ATOM 0 HA ILE A 30 36.277 33.260 13.650 1.00 0.00 H new ATOM 0 HB ILE A 30 35.877 30.851 15.470 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.835 32.484 13.890 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.670 31.113 13.185 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.288 32.255 16.751 1.00 0.00 H new ATOM 0 HG22 ILE A 30 35.943 32.901 16.852 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.753 33.669 15.775 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.496 30.411 14.155 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.845 29.646 15.028 1.00 0.00 H new ATOM 0 HD13 ILE A 30 32.998 31.037 15.744 1.00 0.00 H new ATOM 490 N GLN A 31 38.595 32.177 15.722 1.00 0.00 N ATOM 491 CA GLN A 31 39.637 32.640 16.636 1.00 0.00 C ATOM 492 C GLN A 31 40.490 33.710 15.962 1.00 0.00 C ATOM 493 O GLN A 31 40.590 34.837 16.442 1.00 0.00 O ATOM 494 CB GLN A 31 40.527 31.466 17.059 1.00 0.00 C ATOM 495 CG GLN A 31 41.597 31.959 18.038 1.00 0.00 C ATOM 496 CD GLN A 31 42.395 30.779 18.580 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.157 29.579 18.129 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 43.261 30.957 19.437 1.00 0.00 N flip ATOM 0 H GLN A 31 38.606 31.175 15.534 1.00 0.00 H new ATOM 0 HA GLN A 31 39.161 33.066 17.519 1.00 0.00 H new ATOM 0 HB2 GLN A 31 39.923 30.688 17.526 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.999 31.020 16.183 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.265 32.660 17.537 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.128 32.499 18.860 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.445 31.897 19.788 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.794 30.165 19.796 1.00 0.00 H new ATOM 507 N ASP A 32 41.112 33.329 14.861 1.00 0.00 N ATOM 508 CA ASP A 32 41.975 34.246 14.125 1.00 0.00 C ATOM 509 C ASP A 32 41.283 35.590 13.866 1.00 0.00 C ATOM 510 O ASP A 32 41.934 36.635 13.879 1.00 0.00 O ATOM 511 CB ASP A 32 42.395 33.614 12.795 1.00 0.00 C ATOM 512 CG ASP A 32 43.443 34.486 12.111 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.128 35.622 11.801 1.00 0.00 O ATOM 514 OD2 ASP A 32 44.545 34.004 11.908 1.00 0.00 O ATOM 0 H ASP A 32 41.039 32.396 14.455 1.00 0.00 H new ATOM 0 HA ASP A 32 42.857 34.436 14.737 1.00 0.00 H new ATOM 0 HB2 ASP A 32 42.797 32.616 12.968 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.526 33.499 12.147 1.00 0.00 H new ATOM 519 N LYS A 33 39.974 35.565 13.607 1.00 0.00 N ATOM 520 CA LYS A 33 39.240 36.801 13.319 1.00 0.00 C ATOM 521 C LYS A 33 38.933 37.635 14.571 1.00 0.00 C ATOM 522 O LYS A 33 39.061 38.858 14.539 1.00 0.00 O ATOM 523 CB LYS A 33 37.923 36.479 12.619 1.00 0.00 C ATOM 524 CG LYS A 33 38.190 35.785 11.283 1.00 0.00 C ATOM 525 CD LYS A 33 36.858 35.337 10.674 1.00 0.00 C ATOM 526 CE LYS A 33 37.076 34.868 9.234 1.00 0.00 C ATOM 527 NZ LYS A 33 37.623 35.992 8.421 1.00 0.00 N ATOM 0 H LYS A 33 39.407 34.717 13.590 1.00 0.00 H new ATOM 0 HA LYS A 33 39.892 37.394 12.678 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.313 35.838 13.255 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.357 37.396 12.454 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.704 36.464 10.603 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.844 34.925 11.430 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.430 34.530 11.268 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.144 36.160 10.694 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.765 34.023 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.135 34.521 8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.340 35.871 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 37.250 36.894 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.661 35.996 8.488 1.00 0.00 H new ATOM 541 N GLU A 34 38.487 36.990 15.658 1.00 0.00 N ATOM 542 CA GLU A 34 38.124 37.727 16.885 1.00 0.00 C ATOM 543 C GLU A 34 39.090 37.470 18.042 1.00 0.00 C ATOM 544 O GLU A 34 38.850 37.928 19.157 1.00 0.00 O ATOM 545 CB GLU A 34 36.714 37.319 17.328 1.00 0.00 C ATOM 546 CG GLU A 34 35.749 37.410 16.144 1.00 0.00 C ATOM 547 CD GLU A 34 34.325 37.130 16.614 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.862 37.838 17.494 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.717 36.213 16.086 1.00 0.00 O ATOM 0 H GLU A 34 38.369 35.979 15.718 1.00 0.00 H new ATOM 0 HA GLU A 34 38.172 38.788 16.641 1.00 0.00 H new ATOM 0 HB2 GLU A 34 36.727 36.302 17.721 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.375 37.968 18.135 1.00 0.00 H new ATOM 0 HG2 GLU A 34 35.805 38.401 15.693 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.035 36.693 15.374 1.00 0.00 H new ATOM 556 N GLY A 35 40.200 36.796 17.787 1.00 0.00 N ATOM 557 CA GLY A 35 41.181 36.547 18.840 1.00 0.00 C ATOM 558 C GLY A 35 40.584 35.806 20.043 1.00 0.00 C ATOM 559 O GLY A 35 41.180 35.793 21.120 1.00 0.00 O ATOM 0 H GLY A 35 40.446 36.414 16.874 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.006 35.963 18.432 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.598 37.497 19.174 1.00 0.00 H new ATOM 563 N ILE A 36 39.413 35.190 19.863 1.00 0.00 N ATOM 564 CA ILE A 36 38.765 34.454 20.944 1.00 0.00 C ATOM 565 C ILE A 36 39.213 32.979 20.944 1.00 0.00 C ATOM 566 O ILE A 36 39.061 32.300 19.929 1.00 0.00 O ATOM 567 CB ILE A 36 37.258 34.523 20.752 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.837 35.988 20.805 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.567 33.742 21.868 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.340 36.105 20.571 1.00 0.00 C ATOM 0 H ILE A 36 38.899 35.188 18.982 1.00 0.00 H new ATOM 0 HA ILE A 36 39.047 34.902 21.897 1.00 0.00 H new ATOM 0 HB ILE A 36 36.976 34.089 19.793 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.097 36.415 21.774 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.378 36.558 20.050 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.487 33.791 21.731 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.890 32.701 21.838 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.831 34.176 22.833 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.046 37.154 20.610 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.092 35.695 19.592 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.807 35.550 21.343 1.00 0.00 H new ATOM 582 N PRO A 37 39.749 32.457 22.035 1.00 0.00 N ATOM 583 CA PRO A 37 40.203 31.028 22.091 1.00 0.00 C ATOM 584 C PRO A 37 39.017 30.053 22.159 1.00 0.00 C ATOM 585 O PRO A 37 37.910 30.434 22.556 1.00 0.00 O ATOM 586 CB PRO A 37 41.048 30.974 23.369 1.00 0.00 C ATOM 587 CG PRO A 37 40.460 32.022 24.253 1.00 0.00 C ATOM 588 CD PRO A 37 39.982 33.142 23.324 1.00 0.00 C ATOM 0 HA PRO A 37 40.757 30.729 21.201 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.000 29.990 23.835 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.098 31.176 23.159 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.632 31.620 24.837 1.00 0.00 H new ATOM 0 HG3 PRO A 37 41.199 32.393 24.963 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.072 33.611 23.698 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.730 33.929 23.229 1.00 0.00 H new ATOM 596 N PRO A 38 39.221 28.811 21.779 1.00 0.00 N ATOM 597 CA PRO A 38 38.137 27.778 21.779 1.00 0.00 C ATOM 598 C PRO A 38 37.596 27.484 23.179 1.00 0.00 C ATOM 599 O PRO A 38 36.519 26.908 23.324 1.00 0.00 O ATOM 600 CB PRO A 38 38.814 26.540 21.171 1.00 0.00 C ATOM 601 CG PRO A 38 40.262 26.740 21.448 1.00 0.00 C ATOM 602 CD PRO A 38 40.500 28.241 21.316 1.00 0.00 C ATOM 0 HA PRO A 38 37.263 28.110 21.219 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.445 25.621 21.626 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.620 26.466 20.101 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.523 26.388 22.446 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.877 26.182 20.742 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.338 28.574 21.929 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.723 28.527 20.288 1.00 0.00 H new ATOM 610 N ASP A 39 38.347 27.870 24.204 1.00 0.00 N ATOM 611 CA ASP A 39 37.920 27.625 25.580 1.00 0.00 C ATOM 612 C ASP A 39 36.939 28.696 26.042 1.00 0.00 C ATOM 613 O ASP A 39 36.089 28.444 26.896 1.00 0.00 O ATOM 614 CB ASP A 39 39.141 27.604 26.514 1.00 0.00 C ATOM 615 CG ASP A 39 40.193 28.588 26.019 1.00 0.00 C ATOM 616 OD1 ASP A 39 41.046 28.173 25.253 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.124 29.744 26.405 1.00 0.00 O ATOM 0 H ASP A 39 39.244 28.348 24.113 1.00 0.00 H new ATOM 0 HA ASP A 39 37.420 26.657 25.615 1.00 0.00 H new ATOM 0 HB2 ASP A 39 38.838 27.863 27.528 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.561 26.599 26.554 1.00 0.00 H new ATOM 622 N GLN A 40 37.086 29.900 25.503 1.00 0.00 N ATOM 623 CA GLN A 40 36.224 31.012 25.904 1.00 0.00 C ATOM 624 C GLN A 40 34.917 31.015 25.125 1.00 0.00 C ATOM 625 O GLN A 40 33.918 31.564 25.591 1.00 0.00 O ATOM 626 CB GLN A 40 36.944 32.343 25.680 1.00 0.00 C ATOM 627 CG GLN A 40 38.015 32.536 26.755 1.00 0.00 C ATOM 628 CD GLN A 40 37.357 32.894 28.084 1.00 0.00 C ATOM 629 OE1 GLN A 40 36.357 33.610 28.110 1.00 0.00 O ATOM 630 NE2 GLN A 40 37.863 32.432 29.195 1.00 0.00 N ATOM 0 H GLN A 40 37.783 30.133 24.796 1.00 0.00 H new ATOM 0 HA GLN A 40 35.996 30.885 26.962 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.401 32.358 24.691 1.00 0.00 H new ATOM 0 HB3 GLN A 40 36.229 33.165 25.714 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.602 31.624 26.864 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.705 33.325 26.456 1.00 0.00 H new ATOM 0 HE21 GLN A 40 38.692 31.839 29.170 1.00 0.00 H new ATOM 0 HE22 GLN A 40 37.429 32.664 30.088 1.00 0.00 H new ATOM 639 N GLN A 41 34.918 30.409 23.935 1.00 0.00 N ATOM 640 CA GLN A 41 33.714 30.364 23.104 1.00 0.00 C ATOM 641 C GLN A 41 33.153 28.950 22.990 1.00 0.00 C ATOM 642 O GLN A 41 33.891 27.964 23.039 1.00 0.00 O ATOM 643 CB GLN A 41 34.042 30.889 21.709 1.00 0.00 C ATOM 644 CG GLN A 41 35.062 29.971 21.039 1.00 0.00 C ATOM 645 CD GLN A 41 35.658 30.657 19.813 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.929 31.243 19.013 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.949 30.618 19.615 1.00 0.00 N ATOM 0 H GLN A 41 35.731 29.947 23.529 1.00 0.00 H new ATOM 0 HA GLN A 41 32.957 30.988 23.580 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.135 30.941 21.107 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.439 31.902 21.775 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.853 29.717 21.744 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.584 29.036 20.746 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.552 30.132 20.279 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.353 31.073 18.797 1.00 0.00 H new ATOM 656 N ARG A 42 31.835 28.876 22.803 1.00 0.00 N ATOM 657 CA ARG A 42 31.130 27.608 22.640 1.00 0.00 C ATOM 658 C ARG A 42 30.215 27.739 21.431 1.00 0.00 C ATOM 659 O ARG A 42 29.527 28.749 21.279 1.00 0.00 O ATOM 660 CB ARG A 42 30.303 27.296 23.898 1.00 0.00 C ATOM 661 CG ARG A 42 31.186 26.645 24.979 1.00 0.00 C ATOM 662 CD ARG A 42 31.236 25.127 24.772 1.00 0.00 C ATOM 663 NE ARG A 42 32.111 24.510 25.762 1.00 0.00 N ATOM 664 CZ ARG A 42 31.745 24.408 27.036 1.00 0.00 C ATOM 665 NH1 ARG A 42 32.543 23.844 27.901 1.00 0.00 N ATOM 666 NH2 ARG A 42 30.589 24.874 27.423 1.00 0.00 N ATOM 0 H ARG A 42 31.228 29.694 22.761 1.00 0.00 H new ATOM 0 HA ARG A 42 31.840 26.794 22.493 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.861 28.214 24.286 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.480 26.629 23.643 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.193 27.059 24.935 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.790 26.872 25.969 1.00 0.00 H new ATOM 0 HD2 ARG A 42 30.233 24.709 24.853 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.596 24.902 23.768 1.00 0.00 H new ATOM 0 HE ARG A 42 33.020 24.150 25.472 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.448 23.481 27.600 1.00 0.00 H new ATOM 0 HH12 ARG A 42 32.262 23.766 28.878 1.00 0.00 H new ATOM 0 HH21 ARG A 42 29.966 25.317 26.748 1.00 0.00 H new ATOM 0 HH22 ARG A 42 30.309 24.795 28.401 1.00 0.00 H new ATOM 680 N LEU A 43 30.205 26.735 20.563 1.00 0.00 N ATOM 681 CA LEU A 43 29.364 26.791 19.368 1.00 0.00 C ATOM 682 C LEU A 43 27.988 26.200 19.629 1.00 0.00 C ATOM 683 O LEU A 43 27.850 25.008 19.920 1.00 0.00 O ATOM 684 CB LEU A 43 30.024 26.027 18.228 1.00 0.00 C ATOM 685 CG LEU A 43 31.484 26.453 18.050 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.974 25.966 16.690 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.615 27.975 18.115 1.00 0.00 C ATOM 0 H LEU A 43 30.759 25.884 20.658 1.00 0.00 H new ATOM 0 HA LEU A 43 29.247 27.840 19.097 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.976 24.957 18.428 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.475 26.203 17.303 1.00 0.00 H new ATOM 0 HG LEU A 43 32.082 26.018 18.851 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.013 26.263 16.550 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.897 24.880 16.643 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.362 26.407 15.903 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.660 28.256 17.986 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.018 28.426 17.322 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.260 28.330 19.083 1.00 0.00 H new ATOM 699 N ILE A 44 26.973 27.055 19.522 1.00 0.00 N ATOM 700 CA ILE A 44 25.584 26.644 19.750 1.00 0.00 C ATOM 701 C ILE A 44 24.783 26.605 18.446 1.00 0.00 C ATOM 702 O ILE A 44 24.638 27.622 17.756 1.00 0.00 O ATOM 703 CB ILE A 44 24.904 27.625 20.713 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.753 27.799 21.983 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.516 27.101 21.092 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.070 26.435 22.610 1.00 0.00 C ATOM 0 H ILE A 44 27.084 28.039 19.278 1.00 0.00 H new ATOM 0 HA ILE A 44 25.606 25.641 20.176 1.00 0.00 H new ATOM 0 HB ILE A 44 24.805 28.591 20.218 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.680 28.318 21.739 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.219 28.421 22.702 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.037 27.801 21.776 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.908 26.998 20.193 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.614 26.130 21.577 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.672 26.578 23.508 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.140 25.930 22.873 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.624 25.826 21.895 1.00 0.00 H new ATOM 718 N PHE A 45 24.251 25.425 18.122 1.00 0.00 N ATOM 719 CA PHE A 45 23.442 25.243 16.918 1.00 0.00 C ATOM 720 C PHE A 45 22.251 24.344 17.234 1.00 0.00 C ATOM 721 O PHE A 45 22.422 23.205 17.663 1.00 0.00 O ATOM 722 CB PHE A 45 24.280 24.597 15.817 1.00 0.00 C ATOM 723 CG PHE A 45 23.443 24.403 14.577 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.448 25.369 13.565 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.671 23.246 14.438 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.679 25.176 12.410 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.900 23.052 13.285 1.00 0.00 C ATOM 728 CZ PHE A 45 21.905 24.017 12.270 1.00 0.00 C ATOM 0 H PHE A 45 24.367 24.579 18.680 1.00 0.00 H new ATOM 0 HA PHE A 45 23.090 26.217 16.578 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.142 25.224 15.589 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.666 23.637 16.159 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.044 26.263 13.674 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.669 22.501 15.220 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.683 25.921 11.628 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.302 22.159 13.179 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.312 23.868 11.380 1.00 0.00 H new ATOM 738 N ALA A 46 21.047 24.865 17.031 1.00 0.00 N ATOM 739 CA ALA A 46 19.838 24.096 17.306 1.00 0.00 C ATOM 740 C ALA A 46 19.855 23.536 18.729 1.00 0.00 C ATOM 741 O ALA A 46 19.391 22.423 18.974 1.00 0.00 O ATOM 742 CB ALA A 46 19.715 22.947 16.304 1.00 0.00 C ATOM 0 H ALA A 46 20.881 25.808 16.680 1.00 0.00 H new ATOM 0 HA ALA A 46 18.981 24.762 17.208 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.810 22.376 16.514 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.663 23.350 15.293 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.584 22.295 16.390 1.00 0.00 H new ATOM 748 N GLY A 47 20.378 24.324 19.664 1.00 0.00 N ATOM 749 CA GLY A 47 20.435 23.909 21.066 1.00 0.00 C ATOM 750 C GLY A 47 21.376 22.722 21.281 1.00 0.00 C ATOM 751 O GLY A 47 21.310 22.057 22.314 1.00 0.00 O ATOM 0 H GLY A 47 20.767 25.249 19.480 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.766 24.748 21.678 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.434 23.643 21.405 1.00 0.00 H new ATOM 755 N LYS A 48 22.259 22.463 20.314 1.00 0.00 N ATOM 756 CA LYS A 48 23.216 21.351 20.422 1.00 0.00 C ATOM 757 C LYS A 48 24.645 21.861 20.291 1.00 0.00 C ATOM 758 O LYS A 48 24.984 22.513 19.303 1.00 0.00 O ATOM 759 CB LYS A 48 22.960 20.327 19.322 1.00 0.00 C ATOM 760 CG LYS A 48 21.557 19.733 19.473 1.00 0.00 C ATOM 761 CD LYS A 48 21.350 18.639 18.421 1.00 0.00 C ATOM 762 CE LYS A 48 20.022 17.926 18.679 1.00 0.00 C ATOM 763 NZ LYS A 48 18.897 18.870 18.427 1.00 0.00 N ATOM 0 H LYS A 48 22.334 23.002 19.451 1.00 0.00 H new ATOM 0 HA LYS A 48 23.083 20.886 21.399 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.060 20.799 18.345 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.706 19.534 19.371 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.432 19.319 20.473 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.805 20.513 19.354 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.352 19.075 17.422 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.172 17.924 18.458 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.932 17.055 18.030 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.984 17.564 19.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.001 18.343 18.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.861 19.578 19.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.043 19.348 17.515 1.00 0.00 H new ATOM 777 N GLN A 49 25.494 21.548 21.269 1.00 0.00 N ATOM 778 CA GLN A 49 26.881 21.973 21.214 1.00 0.00 C ATOM 779 C GLN A 49 27.657 21.105 20.235 1.00 0.00 C ATOM 780 O GLN A 49 27.567 19.876 20.273 1.00 0.00 O ATOM 781 CB GLN A 49 27.521 21.878 22.596 1.00 0.00 C ATOM 782 CG GLN A 49 28.862 22.613 22.583 1.00 0.00 C ATOM 783 CD GLN A 49 29.614 22.350 23.883 1.00 0.00 C ATOM 784 OE1 GLN A 49 29.001 22.050 24.907 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.915 22.447 23.903 1.00 0.00 N ATOM 0 H GLN A 49 25.244 21.008 22.097 1.00 0.00 H new ATOM 0 HA GLN A 49 26.910 23.010 20.878 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.861 22.314 23.346 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.668 20.833 22.870 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.460 22.281 21.734 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.698 23.683 22.458 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.421 22.696 23.053 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.426 22.274 24.769 1.00 0.00 H new ATOM 794 N LEU A 50 28.395 21.744 19.345 1.00 0.00 N ATOM 795 CA LEU A 50 29.156 21.007 18.345 1.00 0.00 C ATOM 796 C LEU A 50 30.326 20.268 18.990 1.00 0.00 C ATOM 797 O LEU A 50 31.020 20.809 19.851 1.00 0.00 O ATOM 798 CB LEU A 50 29.661 21.965 17.267 1.00 0.00 C ATOM 799 CG LEU A 50 28.487 22.409 16.380 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.469 23.206 17.206 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.011 23.289 15.244 1.00 0.00 C ATOM 0 H LEU A 50 28.485 22.759 19.291 1.00 0.00 H new ATOM 0 HA LEU A 50 28.501 20.267 17.885 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.130 22.834 17.729 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.424 21.476 16.660 1.00 0.00 H new ATOM 0 HG LEU A 50 28.000 21.524 15.971 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.643 23.514 16.566 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.088 22.582 18.015 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.952 24.089 17.625 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.179 23.604 14.614 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.503 24.167 15.662 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.725 22.723 14.645 1.00 0.00 H new ATOM 813 N GLU A 51 30.524 19.018 18.569 1.00 0.00 N ATOM 814 CA GLU A 51 31.591 18.184 19.098 1.00 0.00 C ATOM 815 C GLU A 51 32.959 18.636 18.585 1.00 0.00 C ATOM 816 O GLU A 51 33.141 18.855 17.389 1.00 0.00 O ATOM 817 CB GLU A 51 31.335 16.729 18.703 1.00 0.00 C ATOM 818 CG GLU A 51 32.125 15.803 19.618 1.00 0.00 C ATOM 819 CD GLU A 51 32.001 14.361 19.136 1.00 0.00 C ATOM 820 OE1 GLU A 51 32.788 13.969 18.289 1.00 0.00 O ATOM 821 OE2 GLU A 51 31.120 13.671 19.619 1.00 0.00 O ATOM 0 H GLU A 51 29.952 18.563 17.858 1.00 0.00 H new ATOM 0 HA GLU A 51 31.599 18.277 20.184 1.00 0.00 H new ATOM 0 HB2 GLU A 51 30.271 16.505 18.773 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.627 16.567 17.665 1.00 0.00 H new ATOM 0 HG2 GLU A 51 33.173 16.101 19.633 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.755 15.886 20.640 1.00 0.00 H new ATOM 828 N ASP A 52 33.905 18.777 19.504 1.00 0.00 N ATOM 829 CA ASP A 52 35.248 19.216 19.164 1.00 0.00 C ATOM 830 C ASP A 52 35.978 18.242 18.229 1.00 0.00 C ATOM 831 O ASP A 52 37.205 18.282 18.151 1.00 0.00 O ATOM 832 CB ASP A 52 36.070 19.378 20.445 1.00 0.00 C ATOM 833 CG ASP A 52 35.550 20.561 21.255 1.00 0.00 C ATOM 834 OD1 ASP A 52 34.934 21.432 20.664 1.00 0.00 O ATOM 835 OD2 ASP A 52 35.775 20.577 22.454 1.00 0.00 O ATOM 0 H ASP A 52 33.763 18.592 20.497 1.00 0.00 H new ATOM 0 HA ASP A 52 35.147 20.165 18.637 1.00 0.00 H new ATOM 0 HB2 ASP A 52 36.014 18.467 21.040 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.120 19.531 20.196 1.00 0.00 H new ATOM 840 N GLY A 53 35.254 17.364 17.525 1.00 0.00 N ATOM 841 CA GLY A 53 35.933 16.413 16.633 1.00 0.00 C ATOM 842 C GLY A 53 35.040 15.875 15.510 1.00 0.00 C ATOM 843 O GLY A 53 35.380 14.869 14.886 1.00 0.00 O ATOM 0 H GLY A 53 34.237 17.290 17.550 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.803 16.900 16.192 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.303 15.575 17.224 1.00 0.00 H new ATOM 847 N ARG A 54 33.915 16.537 15.231 1.00 0.00 N ATOM 848 CA ARG A 54 33.015 16.083 14.153 1.00 0.00 C ATOM 849 C ARG A 54 33.155 16.961 12.910 1.00 0.00 C ATOM 850 O ARG A 54 33.837 17.987 12.925 1.00 0.00 O ATOM 851 CB ARG A 54 31.551 16.097 14.639 1.00 0.00 C ATOM 852 CG ARG A 54 31.211 14.765 15.337 1.00 0.00 C ATOM 853 CD ARG A 54 29.720 14.721 15.709 1.00 0.00 C ATOM 854 NE ARG A 54 29.530 13.903 16.903 1.00 0.00 N ATOM 855 CZ ARG A 54 28.319 13.696 17.409 1.00 0.00 C ATOM 856 NH1 ARG A 54 28.175 12.958 18.476 1.00 0.00 N ATOM 857 NH2 ARG A 54 27.273 14.232 16.841 1.00 0.00 N ATOM 0 H ARG A 54 33.604 17.375 15.723 1.00 0.00 H new ATOM 0 HA ARG A 54 33.298 15.064 13.888 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.396 16.927 15.328 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.881 16.255 13.794 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.453 13.930 14.679 1.00 0.00 H new ATOM 0 HG3 ARG A 54 31.820 14.651 16.234 1.00 0.00 H new ATOM 0 HD2 ARG A 54 29.351 15.731 15.887 1.00 0.00 H new ATOM 0 HD3 ARG A 54 29.142 14.311 14.881 1.00 0.00 H new ATOM 0 HE ARG A 54 30.341 13.483 17.357 1.00 0.00 H new ATOM 0 HH11 ARG A 54 28.992 12.540 18.921 1.00 0.00 H new ATOM 0 HH12 ARG A 54 27.245 12.799 18.865 1.00 0.00 H new ATOM 0 HH21 ARG A 54 27.385 14.810 16.008 1.00 0.00 H new ATOM 0 HH22 ARG A 54 26.344 14.073 17.230 1.00 0.00 H new ATOM 871 N THR A 55 32.492 16.532 11.833 1.00 0.00 N ATOM 872 CA THR A 55 32.516 17.261 10.561 1.00 0.00 C ATOM 873 C THR A 55 31.200 18.000 10.353 1.00 0.00 C ATOM 874 O THR A 55 30.140 17.553 10.811 1.00 0.00 O ATOM 875 CB THR A 55 32.734 16.284 9.401 1.00 0.00 C ATOM 876 OG1 THR A 55 31.687 15.323 9.391 1.00 0.00 O ATOM 877 CG2 THR A 55 34.080 15.574 9.572 1.00 0.00 C ATOM 0 H THR A 55 31.930 15.681 11.816 1.00 0.00 H new ATOM 0 HA THR A 55 33.334 17.981 10.590 1.00 0.00 H new ATOM 0 HB THR A 55 32.734 16.833 8.459 1.00 0.00 H new ATOM 0 HG1 THR A 55 31.102 15.485 8.622 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.233 14.880 8.746 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.882 16.312 9.579 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.084 15.024 10.513 1.00 0.00 H new ATOM 885 N LEU A 56 31.250 19.121 9.639 1.00 0.00 N ATOM 886 CA LEU A 56 30.039 19.865 9.374 1.00 0.00 C ATOM 887 C LEU A 56 29.042 18.963 8.659 1.00 0.00 C ATOM 888 O LEU A 56 27.845 19.036 8.916 1.00 0.00 O ATOM 889 CB LEU A 56 30.353 21.100 8.524 1.00 0.00 C ATOM 890 CG LEU A 56 30.937 22.215 9.407 1.00 0.00 C ATOM 891 CD1 LEU A 56 32.350 21.833 9.868 1.00 0.00 C ATOM 892 CD2 LEU A 56 31.001 23.506 8.593 1.00 0.00 C ATOM 0 H LEU A 56 32.101 19.522 9.244 1.00 0.00 H new ATOM 0 HA LEU A 56 29.605 20.202 10.315 1.00 0.00 H new ATOM 0 HB2 LEU A 56 31.062 20.839 7.738 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.446 21.452 8.032 1.00 0.00 H new ATOM 0 HG LEU A 56 30.304 22.355 10.283 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.756 22.628 10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.308 20.907 10.441 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.991 21.692 8.998 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.414 24.305 9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.637 23.355 7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.998 23.781 8.267 1.00 0.00 H new ATOM 904 N SER A 57 29.532 18.121 7.741 1.00 0.00 N ATOM 905 CA SER A 57 28.654 17.228 6.987 1.00 0.00 C ATOM 906 C SER A 57 27.659 16.523 7.902 1.00 0.00 C ATOM 907 O SER A 57 26.484 16.361 7.551 1.00 0.00 O ATOM 908 CB SER A 57 29.492 16.186 6.245 1.00 0.00 C ATOM 909 OG SER A 57 30.185 15.382 7.190 1.00 0.00 O ATOM 0 H SER A 57 30.521 18.042 7.506 1.00 0.00 H new ATOM 0 HA SER A 57 28.093 17.831 6.273 1.00 0.00 H new ATOM 0 HB2 SER A 57 28.850 15.563 5.621 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.201 16.679 5.580 1.00 0.00 H new ATOM 0 HG SER A 57 30.722 14.712 6.718 1.00 0.00 H new ATOM 915 N ASP A 58 28.118 16.137 9.088 1.00 0.00 N ATOM 916 CA ASP A 58 27.235 15.485 10.041 1.00 0.00 C ATOM 917 C ASP A 58 26.137 16.466 10.420 1.00 0.00 C ATOM 918 O ASP A 58 24.971 16.098 10.591 1.00 0.00 O ATOM 919 CB ASP A 58 28.015 15.064 11.291 1.00 0.00 C ATOM 920 CG ASP A 58 27.112 14.274 12.234 1.00 0.00 C ATOM 921 OD1 ASP A 58 26.692 13.193 11.855 1.00 0.00 O ATOM 922 OD2 ASP A 58 26.856 14.761 13.323 1.00 0.00 O ATOM 0 H ASP A 58 29.079 16.262 9.406 1.00 0.00 H new ATOM 0 HA ASP A 58 26.804 14.590 9.593 1.00 0.00 H new ATOM 0 HB2 ASP A 58 28.874 14.457 11.005 1.00 0.00 H new ATOM 0 HB3 ASP A 58 28.403 15.946 11.801 1.00 0.00 H new ATOM 927 N TYR A 59 26.536 17.729 10.531 1.00 0.00 N ATOM 928 CA TYR A 59 25.609 18.799 10.880 1.00 0.00 C ATOM 929 C TYR A 59 24.892 19.349 9.638 1.00 0.00 C ATOM 930 O TYR A 59 24.005 20.194 9.757 1.00 0.00 O ATOM 931 CB TYR A 59 26.382 19.926 11.567 1.00 0.00 C ATOM 932 CG TYR A 59 26.803 19.488 12.955 1.00 0.00 C ATOM 933 CD1 TYR A 59 28.123 19.083 13.192 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.874 19.487 14.004 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.514 18.678 14.474 1.00 0.00 C ATOM 936 CE2 TYR A 59 26.266 19.082 15.286 1.00 0.00 C ATOM 937 CZ TYR A 59 27.585 18.677 15.521 1.00 0.00 C ATOM 938 OH TYR A 59 27.970 18.277 16.784 1.00 0.00 O ATOM 0 H TYR A 59 27.497 18.037 10.384 1.00 0.00 H new ATOM 0 HA TYR A 59 24.852 18.394 11.552 1.00 0.00 H new ATOM 0 HB2 TYR A 59 27.260 20.189 10.977 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.761 20.819 11.630 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.840 19.083 12.385 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.856 19.799 13.824 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.532 18.366 14.655 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.550 19.082 16.094 1.00 0.00 H new ATOM 0 HH TYR A 59 27.205 18.337 17.394 1.00 0.00 H new ATOM 948 N ASN A 60 25.272 18.872 8.448 1.00 0.00 N ATOM 949 CA ASN A 60 24.639 19.342 7.213 1.00 0.00 C ATOM 950 C ASN A 60 23.322 18.615 6.978 1.00 0.00 C ATOM 951 O ASN A 60 22.347 19.211 6.524 1.00 0.00 O ATOM 952 CB ASN A 60 25.563 19.125 6.012 1.00 0.00 C ATOM 953 CG ASN A 60 24.919 19.703 4.753 1.00 0.00 C ATOM 954 OD1 ASN A 60 23.859 19.242 4.329 1.00 0.00 O ATOM 955 ND2 ASN A 60 25.497 20.694 4.128 1.00 0.00 N ATOM 0 H ASN A 60 26.002 18.173 8.315 1.00 0.00 H new ATOM 0 HA ASN A 60 24.445 20.409 7.322 1.00 0.00 H new ATOM 0 HB2 ASN A 60 26.526 19.603 6.191 1.00 0.00 H new ATOM 0 HB3 ASN A 60 25.756 18.061 5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 60 25.070 21.086 3.289 1.00 0.00 H new ATOM 0 HD22 ASN A 60 26.375 21.076 4.479 1.00 0.00 H new ATOM 962 N ILE A 61 23.293 17.327 7.294 1.00 0.00 N ATOM 963 CA ILE A 61 22.069 16.549 7.117 1.00 0.00 C ATOM 964 C ILE A 61 20.975 17.128 8.008 1.00 0.00 C ATOM 965 O ILE A 61 19.860 17.401 7.558 1.00 0.00 O ATOM 966 CB ILE A 61 22.322 15.081 7.480 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.287 14.472 6.460 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.000 14.309 7.460 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.802 13.127 6.981 1.00 0.00 C ATOM 0 H ILE A 61 24.085 16.805 7.667 1.00 0.00 H new ATOM 0 HA ILE A 61 21.753 16.599 6.075 1.00 0.00 H new ATOM 0 HB ILE A 61 22.756 15.021 8.478 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.782 14.334 5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.122 15.150 6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.184 13.266 7.718 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.312 14.746 8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.562 14.364 6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.489 12.694 6.254 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.322 13.278 7.927 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.961 12.450 7.134 1.00 0.00 H new ATOM 981 N GLN A 62 21.314 17.303 9.281 1.00 0.00 N ATOM 982 CA GLN A 62 20.377 17.849 10.253 1.00 0.00 C ATOM 983 C GLN A 62 20.113 19.327 9.957 1.00 0.00 C ATOM 984 O GLN A 62 20.149 20.162 10.861 1.00 0.00 O ATOM 985 CB GLN A 62 20.966 17.707 11.663 1.00 0.00 C ATOM 986 CG GLN A 62 21.008 16.229 12.062 1.00 0.00 C ATOM 987 CD GLN A 62 21.570 16.088 13.474 1.00 0.00 C ATOM 988 OE1 GLN A 62 21.328 16.941 14.327 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.312 15.055 13.773 1.00 0.00 N ATOM 0 H GLN A 62 22.232 17.074 9.663 1.00 0.00 H new ATOM 0 HA GLN A 62 19.437 17.301 10.189 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.970 18.129 11.692 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.364 18.269 12.377 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.006 15.802 12.016 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.625 15.671 11.358 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.512 14.349 13.065 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.691 14.955 14.715 1.00 0.00 H new ATOM 998 N LYS A 63 19.846 19.647 8.684 1.00 0.00 N ATOM 999 CA LYS A 63 19.573 21.030 8.284 1.00 0.00 C ATOM 1000 C LYS A 63 18.183 21.479 8.742 1.00 0.00 C ATOM 1001 O LYS A 63 17.334 21.829 7.921 1.00 0.00 O ATOM 1002 CB LYS A 63 19.685 21.181 6.754 1.00 0.00 C ATOM 1003 CG LYS A 63 19.733 22.669 6.380 1.00 0.00 C ATOM 1004 CD LYS A 63 19.865 22.823 4.861 1.00 0.00 C ATOM 1005 CE LYS A 63 19.695 24.298 4.484 1.00 0.00 C ATOM 1006 NZ LYS A 63 19.709 24.439 3.000 1.00 0.00 N ATOM 0 H LYS A 63 19.814 18.972 7.920 1.00 0.00 H new ATOM 0 HA LYS A 63 20.317 21.664 8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.582 20.677 6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.834 20.702 6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.829 23.169 6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.575 23.151 6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.839 22.461 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.112 22.218 4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.758 24.681 4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.497 24.891 4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.594 25.441 2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.614 24.089 2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.929 23.886 2.591 1.00 0.00 H new ATOM 1020 N GLU A 64 17.960 21.487 10.058 1.00 0.00 N ATOM 1021 CA GLU A 64 16.674 21.919 10.608 1.00 0.00 C ATOM 1022 C GLU A 64 16.367 23.343 10.147 1.00 0.00 C ATOM 1023 O GLU A 64 15.244 23.656 9.757 1.00 0.00 O ATOM 1024 CB GLU A 64 16.722 21.879 12.142 1.00 0.00 C ATOM 1025 CG GLU A 64 16.780 20.428 12.620 1.00 0.00 C ATOM 1026 CD GLU A 64 15.418 19.765 12.444 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.480 20.465 12.099 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.333 18.567 12.658 1.00 0.00 O ATOM 0 H GLU A 64 18.646 21.202 10.757 1.00 0.00 H new ATOM 0 HA GLU A 64 15.893 21.246 10.254 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.594 22.425 12.502 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.843 22.373 12.556 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.535 19.881 12.056 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.078 20.394 13.668 1.00 0.00 H new HETATM 1035 N SEP A 65 17.381 24.204 10.198 1.00 0.00 N HETATM 1036 CA SEP A 65 17.240 25.602 9.779 1.00 0.00 C HETATM 1037 CB SEP A 65 17.322 26.526 10.991 1.00 0.00 C HETATM 1038 OG SEP A 65 17.131 27.871 10.574 1.00 0.00 O HETATM 1039 C SEP A 65 18.344 25.949 8.787 1.00 0.00 C HETATM 1040 O SEP A 65 18.792 25.091 8.028 1.00 0.00 O HETATM 1041 P SEP A 65 17.205 29.007 11.607 1.00 0.00 P HETATM 1042 O1P SEP A 65 18.733 29.208 11.890 1.00 0.00 O HETATM 1043 O2P SEP A 65 16.407 28.486 12.851 1.00 0.00 O HETATM 1044 O3P SEP A 65 16.535 30.243 10.914 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.564 26.250 11.724 1.00 0.00 H new HETATM 0 HB2 SEP A 65 18.291 26.419 11.479 1.00 0.00 H new HETATM 0 HA SEP A 65 16.269 25.736 9.302 1.00 0.00 H new ATOM 1049 N THR A 66 18.796 27.200 8.808 1.00 0.00 N ATOM 1050 CA THR A 66 19.876 27.631 7.919 1.00 0.00 C ATOM 1051 C THR A 66 21.213 27.403 8.610 1.00 0.00 C ATOM 1052 O THR A 66 21.240 26.996 9.772 1.00 0.00 O ATOM 1053 CB THR A 66 19.701 29.119 7.569 1.00 0.00 C ATOM 1054 OG1 THR A 66 19.097 29.795 8.666 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.809 29.247 6.334 1.00 0.00 C ATOM 0 H THR A 66 18.436 27.929 9.424 1.00 0.00 H new ATOM 0 HA THR A 66 19.846 27.052 6.996 1.00 0.00 H new ATOM 0 HB THR A 66 20.674 29.564 7.362 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.841 30.700 8.391 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.683 30.300 6.084 1.00 0.00 H new ATOM 0 HG22 THR A 66 19.272 28.727 5.495 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.835 28.805 6.541 1.00 0.00 H new ATOM 1063 N LEU A 67 22.318 27.647 7.905 1.00 0.00 N ATOM 1064 CA LEU A 67 23.640 27.431 8.477 1.00 0.00 C ATOM 1065 C LEU A 67 24.039 28.595 9.376 1.00 0.00 C ATOM 1066 O LEU A 67 25.208 28.981 9.438 1.00 0.00 O ATOM 1067 CB LEU A 67 24.661 27.285 7.338 1.00 0.00 C ATOM 1068 CG LEU A 67 24.082 26.394 6.222 1.00 0.00 C ATOM 1069 CD1 LEU A 67 25.116 26.215 5.102 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.719 25.020 6.792 1.00 0.00 C ATOM 0 H LEU A 67 22.321 27.991 6.945 1.00 0.00 H new ATOM 0 HA LEU A 67 23.619 26.524 9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.913 28.267 6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.584 26.850 7.720 1.00 0.00 H new ATOM 0 HG LEU A 67 23.189 26.873 5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.698 25.584 4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.373 27.189 4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.013 25.745 5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.310 24.394 5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.612 24.549 7.202 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.976 25.138 7.581 1.00 0.00 H new ATOM 1082 N HIS A 68 23.051 29.131 10.079 1.00 0.00 N ATOM 1083 CA HIS A 68 23.284 30.236 10.996 1.00 0.00 C ATOM 1084 C HIS A 68 23.816 29.682 12.306 1.00 0.00 C ATOM 1085 O HIS A 68 23.197 28.818 12.927 1.00 0.00 O ATOM 1086 CB HIS A 68 21.977 30.991 11.248 1.00 0.00 C ATOM 1087 CG HIS A 68 21.557 31.696 9.988 1.00 0.00 C ATOM 1088 ND1 HIS A 68 22.273 31.582 8.807 1.00 0.00 N ATOM 1089 CD2 HIS A 68 20.502 32.528 9.709 1.00 0.00 C ATOM 1090 CE1 HIS A 68 21.646 32.328 7.880 1.00 0.00 C ATOM 1091 NE2 HIS A 68 20.560 32.926 8.376 1.00 0.00 N ATOM 0 H HIS A 68 22.081 28.818 10.031 1.00 0.00 H new ATOM 0 HA HIS A 68 24.009 30.925 10.563 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.199 30.297 11.566 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.110 31.712 12.054 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.742 32.828 10.416 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.980 32.431 6.858 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.912 33.542 7.884 1.00 0.00 H new ATOM 1100 N LEU A 69 24.978 30.176 12.714 1.00 0.00 N ATOM 1101 CA LEU A 69 25.622 29.723 13.942 1.00 0.00 C ATOM 1102 C LEU A 69 25.637 30.837 14.978 1.00 0.00 C ATOM 1103 O LEU A 69 25.937 31.987 14.657 1.00 0.00 O ATOM 1104 CB LEU A 69 27.055 29.289 13.604 1.00 0.00 C ATOM 1105 CG LEU A 69 27.834 28.927 14.876 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.075 27.856 15.672 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.214 28.387 14.480 1.00 0.00 C ATOM 0 H LEU A 69 25.497 30.895 12.210 1.00 0.00 H new ATOM 0 HA LEU A 69 25.068 28.884 14.363 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.030 28.431 12.932 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.567 30.093 13.076 1.00 0.00 H new ATOM 0 HG LEU A 69 27.946 29.816 15.497 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.636 27.606 16.573 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.093 28.238 15.951 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.957 26.963 15.059 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.774 28.127 15.378 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.093 27.500 13.858 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.757 29.150 13.922 1.00 0.00 H new ATOM 1119 N VAL A 70 25.339 30.483 16.228 1.00 0.00 N ATOM 1120 CA VAL A 70 25.346 31.455 17.313 1.00 0.00 C ATOM 1121 C VAL A 70 26.595 31.273 18.160 1.00 0.00 C ATOM 1122 O VAL A 70 26.873 30.177 18.650 1.00 0.00 O ATOM 1123 CB VAL A 70 24.092 31.291 18.176 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.220 32.125 19.453 1.00 0.00 C ATOM 1125 CG2 VAL A 70 22.877 31.766 17.381 1.00 0.00 C ATOM 0 H VAL A 70 25.091 29.535 16.510 1.00 0.00 H new ATOM 0 HA VAL A 70 25.348 32.460 16.890 1.00 0.00 H new ATOM 0 HB VAL A 70 23.975 30.242 18.448 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.323 32.001 20.060 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.090 31.792 20.019 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.338 33.176 19.191 1.00 0.00 H new ATOM 0 HG21 VAL A 70 21.978 31.653 17.988 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.005 32.815 17.113 1.00 0.00 H new ATOM 0 HG23 VAL A 70 22.780 31.169 16.474 1.00 0.00 H new ATOM 1135 N LEU A 71 27.350 32.356 18.329 1.00 0.00 N ATOM 1136 CA LEU A 71 28.576 32.308 19.124 1.00 0.00 C ATOM 1137 C LEU A 71 28.294 32.690 20.574 1.00 0.00 C ATOM 1138 O LEU A 71 27.831 33.795 20.860 1.00 0.00 O ATOM 1139 CB LEU A 71 29.625 33.253 18.534 1.00 0.00 C ATOM 1140 CG LEU A 71 30.995 32.987 19.185 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.520 31.591 18.787 1.00 0.00 C ATOM 1142 CD2 LEU A 71 31.992 34.056 18.723 1.00 0.00 C ATOM 0 H LEU A 71 27.138 33.270 17.930 1.00 0.00 H new ATOM 0 HA LEU A 71 28.959 31.288 19.100 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.691 33.109 17.456 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.329 34.289 18.700 1.00 0.00 H new ATOM 0 HG LEU A 71 30.884 33.025 20.269 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.489 31.419 19.256 1.00 0.00 H new ATOM 0 HD12 LEU A 71 30.816 30.829 19.120 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.627 31.538 17.704 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.963 33.871 19.182 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.090 34.017 17.638 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.633 35.041 19.020 1.00 0.00 H new ATOM 1154 N ARG A 72 28.595 31.766 21.483 1.00 0.00 N ATOM 1155 CA ARG A 72 28.395 31.989 22.916 1.00 0.00 C ATOM 1156 C ARG A 72 29.733 32.317 23.570 1.00 0.00 C ATOM 1157 O ARG A 72 30.754 31.727 23.224 1.00 0.00 O ATOM 1158 CB ARG A 72 27.802 30.721 23.549 1.00 0.00 C ATOM 1159 CG ARG A 72 27.164 31.048 24.907 1.00 0.00 C ATOM 1160 CD ARG A 72 26.722 29.753 25.600 1.00 0.00 C ATOM 1161 NE ARG A 72 26.256 30.038 26.954 1.00 0.00 N ATOM 1162 CZ ARG A 72 25.902 29.058 27.780 1.00 0.00 C ATOM 1163 NH1 ARG A 72 25.491 29.338 28.987 1.00 0.00 N ATOM 1164 NH2 ARG A 72 25.965 27.817 27.384 1.00 0.00 N ATOM 0 H ARG A 72 28.981 30.850 21.253 1.00 0.00 H new ATOM 0 HA ARG A 72 27.709 32.822 23.067 1.00 0.00 H new ATOM 0 HB2 ARG A 72 27.054 30.290 22.883 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.583 29.972 23.678 1.00 0.00 H new ATOM 0 HG2 ARG A 72 27.877 31.582 25.535 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.307 31.707 24.767 1.00 0.00 H new ATOM 0 HD2 ARG A 72 25.926 29.279 25.026 1.00 0.00 H new ATOM 0 HD3 ARG A 72 27.553 29.049 25.635 1.00 0.00 H new ATOM 0 HE ARG A 72 26.201 31.006 27.272 1.00 0.00 H new ATOM 0 HH11 ARG A 72 25.441 30.309 29.297 1.00 0.00 H new ATOM 0 HH12 ARG A 72 25.219 28.586 29.621 1.00 0.00 H new ATOM 0 HH21 ARG A 72 26.286 27.598 26.441 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.694 27.065 28.018 1.00 0.00 H new ATOM 1178 N LEU A 73 29.727 33.254 24.517 1.00 0.00 N ATOM 1179 CA LEU A 73 30.957 33.644 25.220 1.00 0.00 C ATOM 1180 C LEU A 73 30.785 33.465 26.725 1.00 0.00 C ATOM 1181 O LEU A 73 29.803 33.931 27.303 1.00 0.00 O ATOM 1182 CB LEU A 73 31.304 35.103 24.905 1.00 0.00 C ATOM 1183 CG LEU A 73 32.727 35.430 25.408 1.00 0.00 C ATOM 1184 CD1 LEU A 73 33.776 34.998 24.372 1.00 0.00 C ATOM 1185 CD2 LEU A 73 32.856 36.938 25.648 1.00 0.00 C ATOM 0 H LEU A 73 28.892 33.757 24.817 1.00 0.00 H new ATOM 0 HA LEU A 73 31.771 33.004 24.880 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.241 35.276 23.831 1.00 0.00 H new ATOM 0 HB3 LEU A 73 30.581 35.767 25.378 1.00 0.00 H new ATOM 0 HG LEU A 73 32.897 34.888 26.338 1.00 0.00 H new ATOM 0 HD11 LEU A 73 34.773 35.236 24.743 1.00 0.00 H new ATOM 0 HD12 LEU A 73 33.699 33.924 24.202 1.00 0.00 H new ATOM 0 HD13 LEU A 73 33.602 35.527 23.435 1.00 0.00 H new ATOM 0 HD21 LEU A 73 33.861 37.165 26.003 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.671 37.472 24.716 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.128 37.251 26.396 1.00 0.00 H new ATOM 1197 N ARG A 74 31.746 32.791 27.355 1.00 0.00 N ATOM 1198 CA ARG A 74 31.688 32.557 28.795 1.00 0.00 C ATOM 1199 C ARG A 74 32.035 33.828 29.562 1.00 0.00 C ATOM 1200 O ARG A 74 33.178 34.287 29.540 1.00 0.00 O ATOM 1201 CB ARG A 74 32.663 31.440 29.180 1.00 0.00 C ATOM 1202 CG ARG A 74 32.599 31.201 30.690 1.00 0.00 C ATOM 1203 CD ARG A 74 33.325 29.898 31.034 1.00 0.00 C ATOM 1204 NE ARG A 74 33.396 29.727 32.481 1.00 0.00 N ATOM 1205 CZ ARG A 74 34.123 28.755 33.024 1.00 0.00 C ATOM 1206 NH1 ARG A 74 34.177 28.629 34.322 1.00 0.00 N ATOM 1207 NH2 ARG A 74 34.779 27.925 32.260 1.00 0.00 N ATOM 0 H ARG A 74 32.568 32.400 26.894 1.00 0.00 H new ATOM 0 HA ARG A 74 30.672 32.259 29.056 1.00 0.00 H new ATOM 0 HB2 ARG A 74 32.412 30.524 28.646 1.00 0.00 H new ATOM 0 HB3 ARG A 74 33.677 31.712 28.887 1.00 0.00 H new ATOM 0 HG2 ARG A 74 33.057 32.036 31.220 1.00 0.00 H new ATOM 0 HG3 ARG A 74 31.560 31.148 31.016 1.00 0.00 H new ATOM 0 HD2 ARG A 74 32.802 29.053 30.586 1.00 0.00 H new ATOM 0 HD3 ARG A 74 34.330 29.911 30.612 1.00 0.00 H new ATOM 0 HE ARG A 74 32.879 30.364 33.087 1.00 0.00 H new ATOM 0 HH11 ARG A 74 33.662 29.276 34.919 1.00 0.00 H new ATOM 0 HH12 ARG A 74 34.734 27.884 34.739 1.00 0.00 H new ATOM 0 HH21 ARG A 74 34.734 28.022 31.246 1.00 0.00 H new ATOM 0 HH22 ARG A 74 35.336 27.180 32.677 1.00 0.00 H new ATOM 1221 N GLY A 75 31.040 34.392 30.240 1.00 0.00 N ATOM 1222 CA GLY A 75 31.247 35.611 31.013 1.00 0.00 C ATOM 1223 C GLY A 75 32.230 35.375 32.154 1.00 0.00 C ATOM 1224 O GLY A 75 33.057 36.234 32.460 1.00 0.00 O ATOM 0 H GLY A 75 30.088 34.027 30.270 1.00 0.00 H new ATOM 0 HA2 GLY A 75 31.624 36.399 30.361 1.00 0.00 H new ATOM 0 HA3 GLY A 75 30.295 35.957 31.415 1.00 0.00 H new ATOM 1228 N GLY A 76 32.134 34.207 32.780 1.00 0.00 N ATOM 1229 CA GLY A 76 33.022 33.869 33.886 1.00 0.00 C ATOM 1230 C GLY A 76 34.466 34.227 33.551 1.00 0.00 C ATOM 1231 O GLY A 76 34.998 35.121 34.189 1.00 0.00 O ATOM 1232 OXT GLY A 76 35.019 33.603 32.661 1.00 0.00 O ATOM 0 H GLY A 76 31.456 33.483 32.543 1.00 0.00 H new ATOM 0 HA2 GLY A 76 32.710 34.401 34.784 1.00 0.00 H new ATOM 0 HA3 GLY A 76 32.948 32.804 34.105 1.00 0.00 H new TER 1236 GLY A 76