USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 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= 0.107 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.593 K(o=-0.49,f=-2!) USER MOD Set 2.1: A 55 THR OG1 : rot 126:sc= 1.25 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 1.03 USER MOD Set 3.1: A 7 THR OG1 : rot -53:sc= 0.133 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -141:sc= -0.0269 (180deg=-0.82) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.616 (180deg=-0.203) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.0488 (180deg=-0.488) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= -0.0654 (180deg=-0.655) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -92:sc= 0.44 USER MOD Single : A 20 SER OG : rot -3:sc= 0.917 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 25 ASN : amide:sc= -2.64 K(o=-2.6,f=-3.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= -0.0186 (180deg=-0.357) USER MOD Single : A 31 GLN : amide:sc= -0.941 K(o=-0.94,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= 0 (180deg=-1.2) USER MOD Single : A 40 GLN : amide:sc= -0.01 K(o=-0.01,f=-0.76) USER MOD Single : A 41 GLN : amide:sc= -3.79 K(o=-3.8,f=-6.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -7.17! C(o=-7.2!,f=-7.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0912 USER MOD Single : A 60 ASN : amide:sc= -0.0275 K(o=-0.028,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.59) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.493 24.380 1.226 1.00 0.00 N ATOM 2 CA MET A 1 29.224 25.136 1.416 1.00 0.00 C ATOM 3 C MET A 1 29.519 26.452 2.126 1.00 0.00 C ATOM 4 O MET A 1 30.638 26.963 2.064 1.00 0.00 O ATOM 5 CB MET A 1 28.247 24.300 2.246 1.00 0.00 C ATOM 6 CG MET A 1 28.826 24.060 3.641 1.00 0.00 C ATOM 7 SD MET A 1 27.801 22.845 4.510 1.00 0.00 S ATOM 8 CE MET A 1 28.238 23.340 6.195 1.00 0.00 C ATOM 0 H1 MET A 1 30.328 23.371 1.418 1.00 0.00 H new ATOM 0 H2 MET A 1 30.823 24.496 0.247 1.00 0.00 H new ATOM 0 H3 MET A 1 31.215 24.744 1.880 1.00 0.00 H new ATOM 0 HA MET A 1 28.775 25.346 0.445 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.289 24.814 2.323 1.00 0.00 H new ATOM 0 HB3 MET A 1 28.058 23.347 1.752 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.852 23.700 3.565 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.857 24.995 4.201 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.338 22.453 6.820 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.183 23.883 6.181 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.456 23.983 6.600 1.00 0.00 H new ATOM 20 N GLN A 2 28.511 26.997 2.803 1.00 0.00 N ATOM 21 CA GLN A 2 28.672 28.257 3.525 1.00 0.00 C ATOM 22 C GLN A 2 27.827 28.270 4.796 1.00 0.00 C ATOM 23 O GLN A 2 26.772 27.639 4.864 1.00 0.00 O ATOM 24 CB GLN A 2 28.260 29.426 2.626 1.00 0.00 C ATOM 25 CG GLN A 2 26.872 29.156 2.044 1.00 0.00 C ATOM 26 CD GLN A 2 26.446 30.310 1.143 1.00 0.00 C ATOM 27 OE1 GLN A 2 26.187 31.413 1.627 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.355 30.122 -0.145 1.00 0.00 N ATOM 0 H GLN A 2 27.579 26.589 2.867 1.00 0.00 H new ATOM 0 HA GLN A 2 29.721 28.359 3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.252 30.354 3.198 1.00 0.00 H new ATOM 0 HB3 GLN A 2 28.985 29.554 1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.882 28.226 1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.150 29.029 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 2 26.570 29.208 -0.543 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.069 30.889 -0.753 1.00 0.00 H new ATOM 37 N ILE A 3 28.305 29.004 5.799 1.00 0.00 N ATOM 38 CA ILE A 3 27.594 29.113 7.071 1.00 0.00 C ATOM 39 C ILE A 3 27.691 30.529 7.636 1.00 0.00 C ATOM 40 O ILE A 3 28.697 31.215 7.462 1.00 0.00 O ATOM 41 CB ILE A 3 28.162 28.116 8.077 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.644 28.413 8.340 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.026 26.696 7.526 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.131 27.565 9.511 1.00 0.00 C ATOM 0 H ILE A 3 29.178 29.530 5.756 1.00 0.00 H new ATOM 0 HA ILE A 3 26.543 28.886 6.890 1.00 0.00 H new ATOM 0 HB ILE A 3 27.606 28.206 9.010 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.233 28.195 7.449 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.780 29.471 8.562 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.432 25.986 8.246 1.00 0.00 H new ATOM 0 HG22 ILE A 3 26.974 26.473 7.351 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.575 26.616 6.588 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.184 27.775 9.699 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.549 27.805 10.401 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.009 26.509 9.271 1.00 0.00 H new ATOM 56 N PHE A 4 26.625 30.960 8.307 1.00 0.00 N ATOM 57 CA PHE A 4 26.579 32.300 8.895 1.00 0.00 C ATOM 58 C PHE A 4 26.918 32.243 10.379 1.00 0.00 C ATOM 59 O PHE A 4 26.338 31.446 11.115 1.00 0.00 O ATOM 60 CB PHE A 4 25.179 32.890 8.717 1.00 0.00 C ATOM 61 CG PHE A 4 24.892 33.100 7.248 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.346 32.059 6.488 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.168 34.335 6.646 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.073 32.251 5.129 1.00 0.00 C ATOM 65 CE2 PHE A 4 24.896 34.527 5.286 1.00 0.00 C ATOM 66 CZ PHE A 4 24.349 33.485 4.528 1.00 0.00 C ATOM 0 H PHE A 4 25.783 30.404 8.458 1.00 0.00 H new ATOM 0 HA PHE A 4 27.312 32.928 8.389 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.435 32.221 9.150 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.104 33.838 9.250 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.135 31.106 6.951 1.00 0.00 H new ATOM 0 HD2 PHE A 4 25.590 35.139 7.231 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.650 31.448 4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 4 25.108 35.479 4.822 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.140 33.633 3.479 1.00 0.00 H new ATOM 76 N VAL A 5 27.852 33.094 10.826 1.00 0.00 N ATOM 77 CA VAL A 5 28.242 33.126 12.236 1.00 0.00 C ATOM 78 C VAL A 5 27.830 34.446 12.868 1.00 0.00 C ATOM 79 O VAL A 5 28.316 35.516 12.498 1.00 0.00 O ATOM 80 CB VAL A 5 29.755 32.916 12.372 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.198 33.242 13.807 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.064 31.448 12.079 1.00 0.00 C ATOM 0 H VAL A 5 28.346 33.763 10.235 1.00 0.00 H new ATOM 0 HA VAL A 5 27.730 32.318 12.759 1.00 0.00 H new ATOM 0 HB VAL A 5 30.284 33.567 11.676 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.274 33.091 13.899 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.956 34.280 14.036 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.679 32.586 14.506 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.137 31.277 12.170 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.534 30.815 12.791 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.742 31.204 11.067 1.00 0.00 H new ATOM 92 N LYS A 6 26.917 34.348 13.814 1.00 0.00 N ATOM 93 CA LYS A 6 26.407 35.521 14.510 1.00 0.00 C ATOM 94 C LYS A 6 27.236 35.805 15.765 1.00 0.00 C ATOM 95 O LYS A 6 27.166 35.060 16.743 1.00 0.00 O ATOM 96 CB LYS A 6 24.951 35.260 14.886 1.00 0.00 C ATOM 97 CG LYS A 6 24.298 36.537 15.399 1.00 0.00 C ATOM 98 CD LYS A 6 22.807 36.267 15.614 1.00 0.00 C ATOM 99 CE LYS A 6 22.100 37.544 16.066 1.00 0.00 C ATOM 100 NZ LYS A 6 22.695 38.013 17.349 1.00 0.00 N ATOM 0 H LYS A 6 26.509 33.465 14.122 1.00 0.00 H new ATOM 0 HA LYS A 6 26.476 36.394 13.861 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.406 34.888 14.018 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.900 34.485 15.651 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.764 36.852 16.332 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.437 37.347 14.683 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.359 35.902 14.690 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.676 35.485 16.362 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.198 38.316 15.303 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.034 37.356 16.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.059 38.705 17.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.827 37.203 17.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.615 38.460 17.162 1.00 0.00 H new ATOM 114 N THR A 7 28.024 36.881 15.725 1.00 0.00 N ATOM 115 CA THR A 7 28.863 37.247 16.867 1.00 0.00 C ATOM 116 C THR A 7 27.990 37.770 18.007 1.00 0.00 C ATOM 117 O THR A 7 26.844 38.161 17.790 1.00 0.00 O ATOM 118 CB THR A 7 29.883 38.313 16.457 1.00 0.00 C ATOM 119 OG1 THR A 7 29.200 39.491 16.058 1.00 0.00 O ATOM 120 CG2 THR A 7 30.740 37.791 15.297 1.00 0.00 C ATOM 0 H THR A 7 28.099 37.508 14.924 1.00 0.00 H new ATOM 0 HA THR A 7 29.400 36.361 17.206 1.00 0.00 H new ATOM 0 HB THR A 7 30.531 38.540 17.304 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.539 39.269 15.369 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.464 38.553 15.008 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.267 36.890 15.611 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.099 37.559 14.447 1.00 0.00 H new ATOM 128 N LEU A 8 28.528 37.789 19.223 1.00 0.00 N ATOM 129 CA LEU A 8 27.764 38.267 20.370 1.00 0.00 C ATOM 130 C LEU A 8 27.611 39.783 20.341 1.00 0.00 C ATOM 131 O LEU A 8 26.687 40.331 20.942 1.00 0.00 O ATOM 132 CB LEU A 8 28.468 37.844 21.665 1.00 0.00 C ATOM 133 CG LEU A 8 29.914 38.418 21.707 1.00 0.00 C ATOM 134 CD1 LEU A 8 29.970 39.665 22.598 1.00 0.00 C ATOM 135 CD2 LEU A 8 30.882 37.368 22.273 1.00 0.00 C ATOM 0 H LEU A 8 29.477 37.483 19.438 1.00 0.00 H new ATOM 0 HA LEU A 8 26.768 37.826 20.326 1.00 0.00 H new ATOM 0 HB2 LEU A 8 27.903 38.200 22.527 1.00 0.00 H new ATOM 0 HB3 LEU A 8 28.499 36.756 21.731 1.00 0.00 H new ATOM 0 HG LEU A 8 30.203 38.682 20.690 1.00 0.00 H new ATOM 0 HD11 LEU A 8 30.988 40.054 22.616 1.00 0.00 H new ATOM 0 HD12 LEU A 8 29.298 40.426 22.201 1.00 0.00 H new ATOM 0 HD13 LEU A 8 29.664 39.403 23.611 1.00 0.00 H new ATOM 0 HD21 LEU A 8 31.891 37.779 22.298 1.00 0.00 H new ATOM 0 HD22 LEU A 8 30.575 37.097 23.283 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.868 36.481 21.640 1.00 0.00 H new ATOM 147 N THR A 9 28.516 40.458 19.644 1.00 0.00 N ATOM 148 CA THR A 9 28.454 41.912 19.559 1.00 0.00 C ATOM 149 C THR A 9 27.328 42.343 18.630 1.00 0.00 C ATOM 150 O THR A 9 26.975 43.523 18.576 1.00 0.00 O ATOM 151 CB THR A 9 29.784 42.473 19.049 1.00 0.00 C ATOM 152 OG1 THR A 9 30.061 41.939 17.763 1.00 0.00 O ATOM 153 CG2 THR A 9 30.905 42.095 20.017 1.00 0.00 C ATOM 0 H THR A 9 29.291 40.031 19.136 1.00 0.00 H new ATOM 0 HA THR A 9 28.261 42.304 20.557 1.00 0.00 H new ATOM 0 HB THR A 9 29.718 43.559 18.983 1.00 0.00 H new ATOM 0 HG1 THR A 9 30.912 42.299 17.436 1.00 0.00 H new ATOM 0 HG21 THR A 9 31.851 42.495 19.652 1.00 0.00 H new ATOM 0 HG22 THR A 9 30.691 42.510 21.002 1.00 0.00 H new ATOM 0 HG23 THR A 9 30.974 41.009 20.088 1.00 0.00 H new ATOM 161 N GLY A 10 26.759 41.382 17.898 1.00 0.00 N ATOM 162 CA GLY A 10 25.668 41.679 16.972 1.00 0.00 C ATOM 163 C GLY A 10 26.188 41.810 15.546 1.00 0.00 C ATOM 164 O GLY A 10 25.442 42.179 14.639 1.00 0.00 O ATOM 0 H GLY A 10 27.034 40.400 17.929 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.919 40.888 17.019 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.174 42.604 17.270 1.00 0.00 H new ATOM 168 N LYS A 11 27.461 41.471 15.341 1.00 0.00 N ATOM 169 CA LYS A 11 28.052 41.519 14.006 1.00 0.00 C ATOM 170 C LYS A 11 27.918 40.157 13.337 1.00 0.00 C ATOM 171 O LYS A 11 28.247 39.132 13.932 1.00 0.00 O ATOM 172 CB LYS A 11 29.530 41.911 14.092 1.00 0.00 C ATOM 173 CG LYS A 11 29.641 43.395 14.445 1.00 0.00 C ATOM 174 CD LYS A 11 31.110 43.756 14.670 1.00 0.00 C ATOM 175 CE LYS A 11 31.245 45.273 14.818 1.00 0.00 C ATOM 176 NZ LYS A 11 30.920 45.929 13.519 1.00 0.00 N ATOM 0 H LYS A 11 28.097 41.163 16.076 1.00 0.00 H new ATOM 0 HA LYS A 11 27.525 42.267 13.414 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.035 41.307 14.846 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.026 41.714 13.142 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.225 44.003 13.642 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.061 43.611 15.342 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.485 43.258 15.564 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.714 43.406 13.833 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.575 45.634 15.598 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.259 45.531 15.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.366 46.868 13.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.278 45.345 12.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 29.889 46.032 13.431 1.00 0.00 H new ATOM 190 N THR A 12 27.433 40.143 12.101 1.00 0.00 N ATOM 191 CA THR A 12 27.259 38.890 11.366 1.00 0.00 C ATOM 192 C THR A 12 28.323 38.748 10.284 1.00 0.00 C ATOM 193 O THR A 12 28.477 39.627 9.435 1.00 0.00 O ATOM 194 CB THR A 12 25.877 38.866 10.714 1.00 0.00 C ATOM 195 OG1 THR A 12 24.882 39.052 11.712 1.00 0.00 O ATOM 196 CG2 THR A 12 25.659 37.517 10.018 1.00 0.00 C ATOM 0 H THR A 12 27.154 40.978 11.587 1.00 0.00 H new ATOM 0 HA THR A 12 27.356 38.062 12.068 1.00 0.00 H new ATOM 0 HB THR A 12 25.809 39.666 9.977 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.995 39.039 11.296 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.673 37.502 9.554 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.422 37.375 9.253 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.727 36.714 10.752 1.00 0.00 H new ATOM 204 N ILE A 13 29.054 37.633 10.310 1.00 0.00 N ATOM 205 CA ILE A 13 30.100 37.379 9.316 1.00 0.00 C ATOM 206 C ILE A 13 29.937 35.977 8.744 1.00 0.00 C ATOM 207 O ILE A 13 29.780 35.002 9.479 1.00 0.00 O ATOM 208 CB ILE A 13 31.481 37.512 9.958 1.00 0.00 C ATOM 209 CG1 ILE A 13 32.563 37.396 8.878 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.673 36.399 10.986 1.00 0.00 C ATOM 211 CD1 ILE A 13 33.948 37.493 9.524 1.00 0.00 C ATOM 0 H ILE A 13 28.943 36.894 11.004 1.00 0.00 H new ATOM 0 HA ILE A 13 30.009 38.112 8.514 1.00 0.00 H new ATOM 0 HB ILE A 13 31.559 38.482 10.449 1.00 0.00 H new ATOM 0 HG12 ILE A 13 32.463 36.448 8.349 1.00 0.00 H new ATOM 0 HG13 ILE A 13 32.439 38.188 8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.657 36.493 11.444 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.905 36.478 11.756 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.593 35.430 10.493 1.00 0.00 H new ATOM 0 HD11 ILE A 13 34.715 37.410 8.754 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.046 38.452 10.032 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.070 36.686 10.246 1.00 0.00 H new ATOM 223 N THR A 14 29.942 35.891 7.422 1.00 0.00 N ATOM 224 CA THR A 14 29.762 34.611 6.742 1.00 0.00 C ATOM 225 C THR A 14 31.074 33.843 6.650 1.00 0.00 C ATOM 226 O THR A 14 32.149 34.424 6.500 1.00 0.00 O ATOM 227 CB THR A 14 29.195 34.848 5.340 1.00 0.00 C ATOM 228 OG1 THR A 14 28.073 35.716 5.433 1.00 0.00 O ATOM 229 CG2 THR A 14 28.757 33.511 4.730 1.00 0.00 C ATOM 0 H THR A 14 30.068 36.688 6.798 1.00 0.00 H new ATOM 0 HA THR A 14 29.062 34.011 7.324 1.00 0.00 H new ATOM 0 HB THR A 14 29.959 35.299 4.707 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.255 35.184 5.530 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.354 33.681 3.732 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.615 32.842 4.665 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.991 33.058 5.359 1.00 0.00 H new ATOM 237 N LEU A 15 30.961 32.522 6.761 1.00 0.00 N ATOM 238 CA LEU A 15 32.116 31.626 6.715 1.00 0.00 C ATOM 239 C LEU A 15 31.946 30.580 5.611 1.00 0.00 C ATOM 240 O LEU A 15 30.888 29.965 5.480 1.00 0.00 O ATOM 241 CB LEU A 15 32.245 30.919 8.090 1.00 0.00 C ATOM 242 CG LEU A 15 33.669 31.038 8.648 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.868 32.437 9.233 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.868 29.990 9.750 1.00 0.00 C ATOM 0 H LEU A 15 30.069 32.042 6.885 1.00 0.00 H new ATOM 0 HA LEU A 15 33.014 32.204 6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.538 31.358 8.794 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.980 29.867 7.986 1.00 0.00 H new ATOM 0 HG LEU A 15 34.393 30.871 7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.879 32.525 9.630 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.719 33.183 8.452 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.148 32.602 10.034 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.879 30.070 10.150 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.147 30.161 10.549 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.720 28.993 9.335 1.00 0.00 H new ATOM 256 N GLU A 16 33.010 30.362 4.847 1.00 0.00 N ATOM 257 CA GLU A 16 32.986 29.355 3.782 1.00 0.00 C ATOM 258 C GLU A 16 33.691 28.092 4.272 1.00 0.00 C ATOM 259 O GLU A 16 34.834 28.150 4.724 1.00 0.00 O ATOM 260 CB GLU A 16 33.685 29.887 2.527 1.00 0.00 C ATOM 261 CG GLU A 16 33.701 28.796 1.453 1.00 0.00 C ATOM 262 CD GLU A 16 34.136 29.382 0.113 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.187 30.596 0.009 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.412 28.607 -0.788 1.00 0.00 O ATOM 0 H GLU A 16 33.894 30.862 4.940 1.00 0.00 H new ATOM 0 HA GLU A 16 31.951 29.125 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.166 30.771 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.704 30.192 2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.381 27.997 1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.710 28.353 1.360 1.00 0.00 H new ATOM 271 N VAL A 17 33.007 26.951 4.186 1.00 0.00 N ATOM 272 CA VAL A 17 33.590 25.685 4.634 1.00 0.00 C ATOM 273 C VAL A 17 32.944 24.511 3.925 1.00 0.00 C ATOM 274 O VAL A 17 31.993 24.657 3.158 1.00 0.00 O ATOM 275 CB VAL A 17 33.429 25.539 6.160 1.00 0.00 C ATOM 276 CG1 VAL A 17 31.941 25.456 6.534 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.163 24.292 6.700 1.00 0.00 C ATOM 0 H VAL A 17 32.060 26.876 3.815 1.00 0.00 H new ATOM 0 HA VAL A 17 34.652 25.690 4.387 1.00 0.00 H new ATOM 0 HB VAL A 17 33.876 26.422 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 17 31.843 25.353 7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.433 26.364 6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.491 24.592 6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.024 24.227 7.779 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.757 23.398 6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.227 24.370 6.475 1.00 0.00 H new ATOM 287 N GLU A 18 33.482 23.351 4.222 1.00 0.00 N ATOM 288 CA GLU A 18 32.991 22.090 3.662 1.00 0.00 C ATOM 289 C GLU A 18 32.106 21.379 4.694 1.00 0.00 C ATOM 290 O GLU A 18 32.361 21.480 5.893 1.00 0.00 O ATOM 291 CB GLU A 18 34.167 21.185 3.282 1.00 0.00 C ATOM 292 CG GLU A 18 35.025 21.873 2.218 1.00 0.00 C ATOM 293 CD GLU A 18 36.193 20.973 1.826 1.00 0.00 C ATOM 294 OE1 GLU A 18 36.740 20.327 2.706 1.00 0.00 O ATOM 295 OE2 GLU A 18 36.525 20.943 0.652 1.00 0.00 O ATOM 0 H GLU A 18 34.273 23.243 4.857 1.00 0.00 H new ATOM 0 HA GLU A 18 32.407 22.304 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.770 20.967 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.797 20.232 2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.419 22.099 1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 18 35.399 22.823 2.600 1.00 0.00 H new ATOM 302 N PRO A 19 31.085 20.666 4.276 1.00 0.00 N ATOM 303 CA PRO A 19 30.186 19.950 5.232 1.00 0.00 C ATOM 304 C PRO A 19 30.905 18.796 5.932 1.00 0.00 C ATOM 305 O PRO A 19 30.462 18.323 6.979 1.00 0.00 O ATOM 306 CB PRO A 19 29.034 19.446 4.346 1.00 0.00 C ATOM 307 CG PRO A 19 29.620 19.343 2.973 1.00 0.00 C ATOM 308 CD PRO A 19 30.669 20.454 2.875 1.00 0.00 C ATOM 0 HA PRO A 19 29.842 20.594 6.041 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.664 18.481 4.691 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.190 20.136 4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.073 18.364 2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.851 19.465 2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.510 20.157 2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.252 21.362 2.439 1.00 0.00 H new ATOM 316 N SER A 20 32.017 18.351 5.351 1.00 0.00 N ATOM 317 CA SER A 20 32.791 17.255 5.931 1.00 0.00 C ATOM 318 C SER A 20 33.883 17.802 6.845 1.00 0.00 C ATOM 319 O SER A 20 34.628 17.041 7.462 1.00 0.00 O ATOM 320 CB SER A 20 33.429 16.423 4.818 1.00 0.00 C ATOM 321 OG SER A 20 34.354 15.506 5.388 1.00 0.00 O ATOM 0 H SER A 20 32.401 18.729 4.485 1.00 0.00 H new ATOM 0 HA SER A 20 32.119 16.627 6.516 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.660 15.885 4.264 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.937 17.074 4.107 1.00 0.00 H new ATOM 0 HG SER A 20 34.405 15.652 6.356 1.00 0.00 H new ATOM 327 N ASP A 21 33.955 19.125 6.945 1.00 0.00 N ATOM 328 CA ASP A 21 34.941 19.762 7.805 1.00 0.00 C ATOM 329 C ASP A 21 34.624 19.474 9.267 1.00 0.00 C ATOM 330 O ASP A 21 33.461 19.291 9.637 1.00 0.00 O ATOM 331 CB ASP A 21 34.957 21.274 7.565 1.00 0.00 C ATOM 332 CG ASP A 21 36.309 21.872 7.954 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.061 21.196 8.635 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.568 22.999 7.568 1.00 0.00 O ATOM 0 H ASP A 21 33.346 19.772 6.444 1.00 0.00 H new ATOM 0 HA ASP A 21 35.924 19.357 7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.751 21.482 6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.165 21.747 8.145 1.00 0.00 H new ATOM 339 N THR A 22 35.659 19.460 10.095 1.00 0.00 N ATOM 340 CA THR A 22 35.484 19.223 11.525 1.00 0.00 C ATOM 341 C THR A 22 35.139 20.523 12.245 1.00 0.00 C ATOM 342 O THR A 22 35.223 21.615 11.671 1.00 0.00 O ATOM 343 CB THR A 22 36.762 18.623 12.123 1.00 0.00 C ATOM 344 OG1 THR A 22 37.860 19.488 11.867 1.00 0.00 O ATOM 345 CG2 THR A 22 37.029 17.255 11.493 1.00 0.00 C ATOM 0 H THR A 22 36.626 19.609 9.805 1.00 0.00 H new ATOM 0 HA THR A 22 34.662 18.519 11.658 1.00 0.00 H new ATOM 0 HB THR A 22 36.637 18.507 13.200 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.676 19.104 12.251 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.938 16.829 11.919 1.00 0.00 H new ATOM 0 HG22 THR A 22 36.188 16.591 11.695 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.152 17.368 10.416 1.00 0.00 H new ATOM 353 N ILE A 23 34.774 20.406 13.512 1.00 0.00 N ATOM 354 CA ILE A 23 34.449 21.593 14.293 1.00 0.00 C ATOM 355 C ILE A 23 35.722 22.370 14.602 1.00 0.00 C ATOM 356 O ILE A 23 35.809 23.565 14.322 1.00 0.00 O ATOM 357 CB ILE A 23 33.733 21.204 15.591 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.665 20.145 15.296 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.064 22.439 16.200 1.00 0.00 C ATOM 360 CD1 ILE A 23 31.824 20.564 14.085 1.00 0.00 C ATOM 0 H ILE A 23 34.696 19.522 14.015 1.00 0.00 H new ATOM 0 HA ILE A 23 33.779 22.225 13.711 1.00 0.00 H new ATOM 0 HB ILE A 23 34.462 20.800 16.293 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.140 19.183 15.103 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.022 20.014 16.166 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.556 22.160 17.123 1.00 0.00 H new ATOM 0 HG22 ILE A 23 33.821 23.193 16.417 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.339 22.845 15.495 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.069 19.804 13.886 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.335 21.515 14.294 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.470 20.672 13.213 1.00 0.00 H new ATOM 372 N GLU A 24 36.718 21.683 15.159 1.00 0.00 N ATOM 373 CA GLU A 24 37.992 22.325 15.479 1.00 0.00 C ATOM 374 C GLU A 24 38.450 23.173 14.300 1.00 0.00 C ATOM 375 O GLU A 24 39.201 24.136 14.460 1.00 0.00 O ATOM 376 CB GLU A 24 39.057 21.271 15.787 1.00 0.00 C ATOM 377 CG GLU A 24 38.504 20.257 16.789 1.00 0.00 C ATOM 378 CD GLU A 24 38.045 20.973 18.054 1.00 0.00 C ATOM 379 OE1 GLU A 24 36.892 21.368 18.102 1.00 0.00 O ATOM 380 OE2 GLU A 24 38.852 21.114 18.958 1.00 0.00 O ATOM 0 H GLU A 24 36.669 20.692 15.396 1.00 0.00 H new ATOM 0 HA GLU A 24 37.853 22.958 16.356 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.357 20.764 14.870 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.949 21.749 16.193 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.670 19.713 16.346 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.270 19.521 17.035 1.00 0.00 H new ATOM 387 N ASN A 25 37.966 22.819 13.114 1.00 0.00 N ATOM 388 CA ASN A 25 38.311 23.567 11.912 1.00 0.00 C ATOM 389 C ASN A 25 37.581 24.901 11.924 1.00 0.00 C ATOM 390 O ASN A 25 38.209 25.958 11.978 1.00 0.00 O ATOM 391 CB ASN A 25 37.930 22.781 10.657 1.00 0.00 C ATOM 392 CG ASN A 25 38.616 23.390 9.438 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.155 24.400 8.906 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.699 22.838 8.964 1.00 0.00 N ATOM 0 H ASN A 25 37.341 22.028 12.960 1.00 0.00 H new ATOM 0 HA ASN A 25 39.388 23.734 11.899 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.224 21.737 10.767 1.00 0.00 H new ATOM 0 HB3 ASN A 25 36.848 22.795 10.522 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.165 23.243 8.152 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.080 22.001 9.406 1.00 0.00 H new ATOM 401 N VAL A 26 36.251 24.844 11.870 1.00 0.00 N ATOM 402 CA VAL A 26 35.444 26.061 11.880 1.00 0.00 C ATOM 403 C VAL A 26 35.940 27.021 12.954 1.00 0.00 C ATOM 404 O VAL A 26 35.806 28.245 12.836 1.00 0.00 O ATOM 405 CB VAL A 26 33.983 25.703 12.145 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.130 26.971 12.128 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.508 24.751 11.058 1.00 0.00 C ATOM 0 H VAL A 26 35.715 23.978 11.819 1.00 0.00 H new ATOM 0 HA VAL A 26 35.531 26.549 10.909 1.00 0.00 H new ATOM 0 HB VAL A 26 33.890 25.227 13.121 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.088 26.711 12.317 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.480 27.655 12.901 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.213 27.452 11.153 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.465 24.487 11.235 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.599 25.235 10.085 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.118 23.848 11.073 1.00 0.00 H new ATOM 417 N LYS A 27 36.533 26.452 13.988 1.00 0.00 N ATOM 418 CA LYS A 27 37.068 27.252 15.080 1.00 0.00 C ATOM 419 C LYS A 27 38.329 27.967 14.622 1.00 0.00 C ATOM 420 O LYS A 27 38.502 29.163 14.847 1.00 0.00 O ATOM 421 CB LYS A 27 37.393 26.355 16.278 1.00 0.00 C ATOM 422 CG LYS A 27 36.103 25.735 16.827 1.00 0.00 C ATOM 423 CD LYS A 27 36.336 25.232 18.255 1.00 0.00 C ATOM 424 CE LYS A 27 35.168 24.339 18.678 1.00 0.00 C ATOM 425 NZ LYS A 27 35.285 24.021 20.129 1.00 0.00 N ATOM 0 H LYS A 27 36.657 25.445 14.097 1.00 0.00 H new ATOM 0 HA LYS A 27 36.322 27.988 15.378 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.086 25.569 15.978 1.00 0.00 H new ATOM 0 HB3 LYS A 27 37.888 26.937 17.056 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.301 26.473 16.818 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.784 24.911 16.189 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.271 24.675 18.308 1.00 0.00 H new ATOM 0 HD3 LYS A 27 36.429 26.076 18.939 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.222 24.842 18.480 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.169 23.420 18.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 34.491 23.414 20.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 36.182 23.524 20.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 35.264 24.903 20.680 1.00 0.00 H new ATOM 439 N ALA A 28 39.208 27.212 13.982 1.00 0.00 N ATOM 440 CA ALA A 28 40.463 27.755 13.489 1.00 0.00 C ATOM 441 C ALA A 28 40.214 28.995 12.632 1.00 0.00 C ATOM 442 O ALA A 28 41.006 29.938 12.640 1.00 0.00 O ATOM 443 CB ALA A 28 41.164 26.684 12.659 1.00 0.00 C ATOM 0 H ALA A 28 39.074 26.219 13.792 1.00 0.00 H new ATOM 0 HA ALA A 28 41.088 28.046 14.333 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.108 27.076 12.281 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.357 25.810 13.281 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.528 26.399 11.821 1.00 0.00 H new ATOM 449 N LYS A 29 39.095 28.990 11.911 1.00 0.00 N ATOM 450 CA LYS A 29 38.743 30.128 11.077 1.00 0.00 C ATOM 451 C LYS A 29 38.454 31.345 11.957 1.00 0.00 C ATOM 452 O LYS A 29 39.161 32.351 11.887 1.00 0.00 O ATOM 453 CB LYS A 29 37.527 29.793 10.207 1.00 0.00 C ATOM 454 CG LYS A 29 37.988 29.029 8.956 1.00 0.00 C ATOM 455 CD LYS A 29 36.810 28.271 8.357 1.00 0.00 C ATOM 456 CE LYS A 29 37.285 27.448 7.159 1.00 0.00 C ATOM 457 NZ LYS A 29 37.760 28.362 6.083 1.00 0.00 N ATOM 0 H LYS A 29 38.427 28.220 11.889 1.00 0.00 H new ATOM 0 HA LYS A 29 39.581 30.360 10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.816 29.191 10.773 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.010 30.708 9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.397 29.724 8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.787 28.334 9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.366 27.617 9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.035 28.971 8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.089 26.777 7.462 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.472 26.824 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.809 27.843 5.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.099 29.159 5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.704 28.723 6.326 1.00 0.00 H new ATOM 471 N ILE A 30 37.409 31.252 12.775 1.00 0.00 N ATOM 472 CA ILE A 30 37.033 32.348 13.651 1.00 0.00 C ATOM 473 C ILE A 30 38.230 32.860 14.450 1.00 0.00 C ATOM 474 O ILE A 30 38.353 34.060 14.686 1.00 0.00 O ATOM 475 CB ILE A 30 35.937 31.860 14.595 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.749 31.328 13.779 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.475 33.008 15.483 1.00 0.00 C ATOM 478 CD1 ILE A 30 34.245 32.385 12.782 1.00 0.00 C ATOM 0 H ILE A 30 36.811 30.429 12.847 1.00 0.00 H new ATOM 0 HA ILE A 30 36.668 33.178 13.046 1.00 0.00 H new ATOM 0 HB ILE A 30 36.332 31.059 15.219 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.047 30.429 13.240 1.00 0.00 H new ATOM 0 HG13 ILE A 30 33.940 31.043 14.452 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.693 32.656 16.155 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.317 33.377 16.068 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.084 33.814 14.862 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.404 31.981 12.218 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.924 33.274 13.325 1.00 0.00 H new ATOM 0 HD13 ILE A 30 35.049 32.650 12.095 1.00 0.00 H new ATOM 490 N GLN A 31 39.109 31.959 14.863 1.00 0.00 N ATOM 491 CA GLN A 31 40.285 32.364 15.631 1.00 0.00 C ATOM 492 C GLN A 31 41.160 33.316 14.820 1.00 0.00 C ATOM 493 O GLN A 31 41.388 34.460 15.214 1.00 0.00 O ATOM 494 CB GLN A 31 41.105 31.129 16.010 1.00 0.00 C ATOM 495 CG GLN A 31 42.362 31.554 16.782 1.00 0.00 C ATOM 496 CD GLN A 31 43.102 30.326 17.299 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.867 29.212 16.830 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.990 30.466 18.246 1.00 0.00 N ATOM 0 H GLN A 31 39.036 30.957 14.685 1.00 0.00 H new ATOM 0 HA GLN A 31 39.946 32.876 16.531 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.503 30.455 16.620 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.387 30.579 15.112 1.00 0.00 H new ATOM 0 HG2 GLN A 31 43.017 32.136 16.133 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.085 32.199 17.616 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.182 31.390 18.632 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.491 29.651 18.599 1.00 0.00 H new ATOM 507 N ASP A 32 41.664 32.818 13.704 1.00 0.00 N ATOM 508 CA ASP A 32 42.542 33.610 12.851 1.00 0.00 C ATOM 509 C ASP A 32 41.930 34.968 12.499 1.00 0.00 C ATOM 510 O ASP A 32 42.640 35.972 12.432 1.00 0.00 O ATOM 511 CB ASP A 32 42.857 32.835 11.570 1.00 0.00 C ATOM 512 CG ASP A 32 43.965 33.540 10.792 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.641 34.378 9.968 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.120 33.230 11.035 1.00 0.00 O ATOM 0 H ASP A 32 41.483 31.873 13.366 1.00 0.00 H new ATOM 0 HA ASP A 32 43.460 33.797 13.407 1.00 0.00 H new ATOM 0 HB2 ASP A 32 43.164 31.819 11.816 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.962 32.756 10.953 1.00 0.00 H new ATOM 519 N LYS A 33 40.624 34.997 12.242 1.00 0.00 N ATOM 520 CA LYS A 33 39.959 36.244 11.860 1.00 0.00 C ATOM 521 C LYS A 33 39.658 37.165 13.050 1.00 0.00 C ATOM 522 O LYS A 33 39.799 38.382 12.939 1.00 0.00 O ATOM 523 CB LYS A 33 38.651 35.939 11.141 1.00 0.00 C ATOM 524 CG LYS A 33 38.914 35.071 9.908 1.00 0.00 C ATOM 525 CD LYS A 33 37.576 34.629 9.310 1.00 0.00 C ATOM 526 CE LYS A 33 37.819 33.806 8.043 1.00 0.00 C ATOM 527 NZ LYS A 33 36.512 33.358 7.483 1.00 0.00 N ATOM 0 H LYS A 33 40.011 34.183 12.290 1.00 0.00 H new ATOM 0 HA LYS A 33 40.655 36.768 11.205 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.967 35.425 11.817 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.166 36.869 10.843 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.489 35.631 9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.509 34.200 10.182 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.020 34.037 10.037 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.966 35.502 9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.357 34.403 7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.444 32.943 8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 36.604 33.219 6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 36.232 32.462 7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 35.788 34.080 7.671 1.00 0.00 H new ATOM 541 N GLU A 34 39.194 36.599 14.169 1.00 0.00 N ATOM 542 CA GLU A 34 38.824 37.416 15.336 1.00 0.00 C ATOM 543 C GLU A 34 39.869 37.368 16.452 1.00 0.00 C ATOM 544 O GLU A 34 39.679 37.982 17.501 1.00 0.00 O ATOM 545 CB GLU A 34 37.484 36.927 15.897 1.00 0.00 C ATOM 546 CG GLU A 34 36.437 36.881 14.784 1.00 0.00 C ATOM 547 CD GLU A 34 35.079 36.503 15.367 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.952 36.527 16.581 1.00 0.00 O ATOM 549 OE2 GLU A 34 34.188 36.194 14.594 1.00 0.00 O ATOM 0 H GLU A 34 39.066 35.595 14.294 1.00 0.00 H new ATOM 0 HA GLU A 34 38.755 38.448 14.991 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.604 35.937 16.336 1.00 0.00 H new ATOM 0 HB3 GLU A 34 37.150 37.591 16.694 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.374 37.851 14.291 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.732 36.156 14.025 1.00 0.00 H new ATOM 556 N GLY A 35 40.990 36.700 16.225 1.00 0.00 N ATOM 557 CA GLY A 35 42.043 36.646 17.234 1.00 0.00 C ATOM 558 C GLY A 35 41.557 36.080 18.574 1.00 0.00 C ATOM 559 O GLY A 35 42.213 36.269 19.597 1.00 0.00 O ATOM 0 H GLY A 35 41.195 36.193 15.364 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.864 36.033 16.863 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.440 37.649 17.391 1.00 0.00 H new ATOM 563 N ILE A 36 40.415 35.389 18.575 1.00 0.00 N ATOM 564 CA ILE A 36 39.881 34.811 19.805 1.00 0.00 C ATOM 565 C ILE A 36 40.339 33.351 19.958 1.00 0.00 C ATOM 566 O ILE A 36 40.235 32.577 19.007 1.00 0.00 O ATOM 567 CB ILE A 36 38.362 34.862 19.754 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.943 36.294 19.438 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.787 34.437 21.105 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.433 36.428 19.536 1.00 0.00 C ATOM 0 H ILE A 36 39.848 35.218 17.744 1.00 0.00 H new ATOM 0 HA ILE A 36 40.249 35.382 20.657 1.00 0.00 H new ATOM 0 HB ILE A 36 37.986 34.185 18.987 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.423 36.984 20.132 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.276 36.566 18.437 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.698 34.475 21.065 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.107 33.420 21.333 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.145 35.113 21.882 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.143 37.454 19.309 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.961 35.751 18.824 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.110 36.175 20.546 1.00 0.00 H new ATOM 582 N PRO A 37 40.829 32.943 21.112 1.00 0.00 N ATOM 583 CA PRO A 37 41.282 31.533 21.317 1.00 0.00 C ATOM 584 C PRO A 37 40.086 30.564 21.439 1.00 0.00 C ATOM 585 O PRO A 37 39.230 30.760 22.302 1.00 0.00 O ATOM 586 CB PRO A 37 42.072 31.600 22.633 1.00 0.00 C ATOM 587 CG PRO A 37 41.458 32.732 23.388 1.00 0.00 C ATOM 588 CD PRO A 37 41.008 33.752 22.338 1.00 0.00 C ATOM 0 HA PRO A 37 41.872 31.157 20.481 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.995 30.666 23.189 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.132 31.775 22.450 1.00 0.00 H new ATOM 0 HG2 PRO A 37 40.613 32.389 23.985 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.176 33.175 24.078 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.081 34.245 22.631 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.753 34.534 22.195 1.00 0.00 H new ATOM 596 N PRO A 38 40.002 29.538 20.611 1.00 0.00 N ATOM 597 CA PRO A 38 38.879 28.551 20.664 1.00 0.00 C ATOM 598 C PRO A 38 38.526 28.114 22.087 1.00 0.00 C ATOM 599 O PRO A 38 37.430 27.608 22.333 1.00 0.00 O ATOM 600 CB PRO A 38 39.406 27.372 19.848 1.00 0.00 C ATOM 601 CG PRO A 38 40.310 27.993 18.841 1.00 0.00 C ATOM 602 CD PRO A 38 40.948 29.205 19.529 1.00 0.00 C ATOM 0 HA PRO A 38 37.953 28.977 20.278 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.941 26.661 20.477 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.594 26.825 19.369 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.072 27.286 18.513 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.754 28.297 17.954 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.936 28.967 19.922 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.072 30.038 18.837 1.00 0.00 H new ATOM 610 N ASP A 39 39.459 28.297 23.017 1.00 0.00 N ATOM 611 CA ASP A 39 39.228 27.900 24.405 1.00 0.00 C ATOM 612 C ASP A 39 38.137 28.752 25.045 1.00 0.00 C ATOM 613 O ASP A 39 37.307 28.249 25.803 1.00 0.00 O ATOM 614 CB ASP A 39 40.521 28.038 25.211 1.00 0.00 C ATOM 615 CG ASP A 39 41.525 26.977 24.774 1.00 0.00 C ATOM 616 OD1 ASP A 39 41.124 26.062 24.074 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.681 27.095 25.146 1.00 0.00 O ATOM 0 H ASP A 39 40.373 28.713 22.839 1.00 0.00 H new ATOM 0 HA ASP A 39 38.903 26.860 24.408 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.944 29.032 25.067 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.309 27.933 26.275 1.00 0.00 H new ATOM 622 N GLN A 40 38.156 30.044 24.749 1.00 0.00 N ATOM 623 CA GLN A 40 37.175 30.967 25.315 1.00 0.00 C ATOM 624 C GLN A 40 35.885 30.972 24.506 1.00 0.00 C ATOM 625 O GLN A 40 34.897 31.579 24.922 1.00 0.00 O ATOM 626 CB GLN A 40 37.750 32.385 25.346 1.00 0.00 C ATOM 627 CG GLN A 40 38.899 32.439 26.353 1.00 0.00 C ATOM 628 CD GLN A 40 39.378 33.878 26.522 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.567 34.803 26.558 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.656 34.123 26.630 1.00 0.00 N ATOM 0 H GLN A 40 38.835 30.478 24.124 1.00 0.00 H new ATOM 0 HA GLN A 40 36.950 30.631 26.327 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.105 32.668 24.355 1.00 0.00 H new ATOM 0 HB3 GLN A 40 36.974 33.099 25.623 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.571 32.041 27.313 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.722 31.811 26.012 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.327 33.355 26.600 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.984 35.082 26.744 1.00 0.00 H new ATOM 639 N GLN A 41 35.884 30.311 23.345 1.00 0.00 N ATOM 640 CA GLN A 41 34.695 30.271 22.492 1.00 0.00 C ATOM 641 C GLN A 41 33.975 28.929 22.579 1.00 0.00 C ATOM 642 O GLN A 41 34.600 27.872 22.668 1.00 0.00 O ATOM 643 CB GLN A 41 35.099 30.523 21.040 1.00 0.00 C ATOM 644 CG GLN A 41 35.668 31.934 20.913 1.00 0.00 C ATOM 645 CD GLN A 41 36.346 32.102 19.557 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.691 32.450 18.575 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.625 31.871 19.445 1.00 0.00 N ATOM 0 H GLN A 41 36.687 29.800 22.977 1.00 0.00 H new ATOM 0 HA GLN A 41 34.013 31.046 22.842 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.841 29.789 20.724 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.236 30.406 20.385 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.870 32.668 21.023 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.385 32.119 21.713 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.165 31.583 20.261 1.00 0.00 H new ATOM 0 HE22 GLN A 41 38.085 31.979 18.541 1.00 0.00 H new ATOM 656 N ARG A 42 32.647 28.993 22.518 1.00 0.00 N ATOM 657 CA ARG A 42 31.798 27.803 22.553 1.00 0.00 C ATOM 658 C ARG A 42 30.774 27.922 21.431 1.00 0.00 C ATOM 659 O ARG A 42 30.163 28.978 21.258 1.00 0.00 O ATOM 660 CB ARG A 42 31.082 27.694 23.906 1.00 0.00 C ATOM 661 CG ARG A 42 32.103 27.478 25.041 1.00 0.00 C ATOM 662 CD ARG A 42 32.395 25.985 25.220 1.00 0.00 C ATOM 663 NE ARG A 42 31.269 25.327 25.871 1.00 0.00 N ATOM 664 CZ ARG A 42 31.286 24.022 26.115 1.00 0.00 C ATOM 665 NH1 ARG A 42 30.268 23.456 26.706 1.00 0.00 N ATOM 666 NH2 ARG A 42 32.318 23.306 25.765 1.00 0.00 N ATOM 0 H ARG A 42 32.129 29.869 22.443 1.00 0.00 H new ATOM 0 HA ARG A 42 32.406 26.908 22.421 1.00 0.00 H new ATOM 0 HB2 ARG A 42 30.507 28.601 24.094 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.374 26.866 23.884 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.026 28.011 24.814 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.715 27.893 25.971 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.583 25.525 24.250 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.298 25.852 25.816 1.00 0.00 H new ATOM 0 HE ARG A 42 30.455 25.878 26.143 1.00 0.00 H new ATOM 0 HH11 ARG A 42 29.461 24.016 26.980 1.00 0.00 H new ATOM 0 HH12 ARG A 42 30.280 22.454 26.894 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.113 23.748 25.304 1.00 0.00 H new ATOM 0 HH22 ARG A 42 32.331 22.304 25.953 1.00 0.00 H new ATOM 680 N LEU A 43 30.592 26.856 20.658 1.00 0.00 N ATOM 681 CA LEU A 43 29.638 26.890 19.547 1.00 0.00 C ATOM 682 C LEU A 43 28.288 26.313 19.949 1.00 0.00 C ATOM 683 O LEU A 43 28.169 25.120 20.259 1.00 0.00 O ATOM 684 CB LEU A 43 30.184 26.108 18.360 1.00 0.00 C ATOM 685 CG LEU A 43 31.631 26.502 18.066 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.013 25.921 16.710 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.766 28.026 18.020 1.00 0.00 C ATOM 0 H LEU A 43 31.082 25.969 20.774 1.00 0.00 H new ATOM 0 HA LEU A 43 29.498 27.935 19.270 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.129 25.039 18.567 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.566 26.295 17.481 1.00 0.00 H new ATOM 0 HG LEU A 43 32.285 26.118 18.849 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.044 26.189 16.477 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.918 24.836 16.739 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.351 26.323 15.943 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.802 28.293 17.810 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.122 28.425 17.236 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.471 28.447 18.981 1.00 0.00 H new ATOM 699 N ILE A 44 27.271 27.175 19.930 1.00 0.00 N ATOM 700 CA ILE A 44 25.903 26.777 20.291 1.00 0.00 C ATOM 701 C ILE A 44 24.973 26.773 19.073 1.00 0.00 C ATOM 702 O ILE A 44 24.824 27.785 18.381 1.00 0.00 O ATOM 703 CB ILE A 44 25.336 27.744 21.335 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.328 27.917 22.493 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.012 27.197 21.875 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.750 26.552 23.052 1.00 0.00 C ATOM 0 H ILE A 44 27.365 28.156 19.668 1.00 0.00 H new ATOM 0 HA ILE A 44 25.955 25.766 20.694 1.00 0.00 H new ATOM 0 HB ILE A 44 25.168 28.713 20.864 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.207 28.462 22.148 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.873 28.514 23.283 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.610 27.886 22.618 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.301 27.091 21.056 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.181 26.224 22.337 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.453 26.696 23.872 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.871 26.021 23.417 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.226 25.968 22.264 1.00 0.00 H new ATOM 718 N PHE A 45 24.342 25.621 18.827 1.00 0.00 N ATOM 719 CA PHE A 45 23.415 25.468 17.706 1.00 0.00 C ATOM 720 C PHE A 45 22.178 24.698 18.155 1.00 0.00 C ATOM 721 O PHE A 45 22.265 23.527 18.521 1.00 0.00 O ATOM 722 CB PHE A 45 24.097 24.703 16.575 1.00 0.00 C ATOM 723 CG PHE A 45 23.187 24.648 15.374 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.342 25.569 14.331 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.194 23.668 15.299 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.503 25.508 13.212 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.352 23.605 14.182 1.00 0.00 C ATOM 728 CZ PHE A 45 21.507 24.526 13.138 1.00 0.00 C ATOM 0 H PHE A 45 24.458 24.780 19.392 1.00 0.00 H new ATOM 0 HA PHE A 45 23.120 26.457 17.355 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.036 25.189 16.309 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.343 23.693 16.903 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.109 26.327 14.390 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.076 22.958 16.104 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.624 26.217 12.407 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.584 22.848 14.125 1.00 0.00 H new ATOM 0 HZ PHE A 45 20.858 24.479 12.276 1.00 0.00 H new ATOM 738 N ALA A 46 21.030 25.364 18.130 1.00 0.00 N ATOM 739 CA ALA A 46 19.781 24.731 18.537 1.00 0.00 C ATOM 740 C ALA A 46 19.900 24.151 19.944 1.00 0.00 C ATOM 741 O ALA A 46 19.294 23.126 20.249 1.00 0.00 O ATOM 742 CB ALA A 46 19.419 23.618 17.554 1.00 0.00 C ATOM 0 H ALA A 46 20.937 26.336 17.834 1.00 0.00 H new ATOM 0 HA ALA A 46 18.997 25.488 18.538 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.485 23.149 17.863 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.300 24.039 16.556 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.213 22.871 17.541 1.00 0.00 H new ATOM 748 N GLY A 47 20.657 24.823 20.803 1.00 0.00 N ATOM 749 CA GLY A 47 20.822 24.369 22.182 1.00 0.00 C ATOM 750 C GLY A 47 21.719 23.131 22.286 1.00 0.00 C ATOM 751 O GLY A 47 21.759 22.483 23.333 1.00 0.00 O ATOM 0 H GLY A 47 21.164 25.678 20.573 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.249 25.175 22.778 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.844 24.142 22.607 1.00 0.00 H new ATOM 755 N LYS A 48 22.459 22.818 21.217 1.00 0.00 N ATOM 756 CA LYS A 48 23.371 21.670 21.219 1.00 0.00 C ATOM 757 C LYS A 48 24.814 22.136 21.049 1.00 0.00 C ATOM 758 O LYS A 48 25.143 22.788 20.058 1.00 0.00 O ATOM 759 CB LYS A 48 23.014 20.743 20.060 1.00 0.00 C ATOM 760 CG LYS A 48 22.031 19.677 20.532 1.00 0.00 C ATOM 761 CD LYS A 48 20.785 20.331 21.132 1.00 0.00 C ATOM 762 CE LYS A 48 19.626 19.331 21.130 1.00 0.00 C ATOM 763 NZ LYS A 48 18.504 19.880 21.940 1.00 0.00 N ATOM 0 H LYS A 48 22.444 23.342 20.342 1.00 0.00 H new ATOM 0 HA LYS A 48 23.273 21.146 22.170 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.576 21.318 19.244 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.916 20.271 19.669 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.748 19.038 19.695 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.507 19.037 21.275 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.991 20.662 22.150 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.515 21.217 20.557 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.295 19.142 20.109 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.953 18.376 21.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.714 19.204 21.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.826 20.039 22.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.188 20.781 21.529 1.00 0.00 H new ATOM 777 N GLN A 49 25.684 21.778 21.992 1.00 0.00 N ATOM 778 CA GLN A 49 27.082 22.146 21.890 1.00 0.00 C ATOM 779 C GLN A 49 27.778 21.231 20.895 1.00 0.00 C ATOM 780 O GLN A 49 27.650 20.009 20.974 1.00 0.00 O ATOM 781 CB GLN A 49 27.752 22.033 23.248 1.00 0.00 C ATOM 782 CG GLN A 49 27.221 23.128 24.171 1.00 0.00 C ATOM 783 CD GLN A 49 27.860 23.005 25.549 1.00 0.00 C ATOM 784 OE1 GLN A 49 27.752 23.918 26.368 1.00 0.00 O ATOM 785 NE2 GLN A 49 28.523 21.923 25.856 1.00 0.00 N ATOM 0 H GLN A 49 25.443 21.240 22.824 1.00 0.00 H new ATOM 0 HA GLN A 49 27.155 23.178 21.546 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.557 21.052 23.681 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.833 22.125 23.141 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.437 24.109 23.747 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.137 23.050 24.256 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.611 21.168 25.175 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.953 21.832 26.776 1.00 0.00 H new ATOM 794 N LEU A 50 28.490 21.814 19.947 1.00 0.00 N ATOM 795 CA LEU A 50 29.169 21.016 18.934 1.00 0.00 C ATOM 796 C LEU A 50 30.349 20.253 19.539 1.00 0.00 C ATOM 797 O LEU A 50 31.115 20.797 20.336 1.00 0.00 O ATOM 798 CB LEU A 50 29.643 21.927 17.802 1.00 0.00 C ATOM 799 CG LEU A 50 28.460 22.279 16.884 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.275 22.780 17.715 1.00 0.00 C ATOM 801 CD2 LEU A 50 28.882 23.376 15.908 1.00 0.00 C ATOM 0 H LEU A 50 28.614 22.822 19.855 1.00 0.00 H new ATOM 0 HA LEU A 50 28.468 20.282 18.536 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.078 22.837 18.214 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.425 21.431 17.228 1.00 0.00 H new ATOM 0 HG LEU A 50 28.163 21.385 16.336 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.444 23.026 17.053 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.965 22.002 18.413 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.571 23.669 18.271 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.044 23.626 15.257 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.185 24.262 16.466 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.718 23.024 15.304 1.00 0.00 H new ATOM 813 N GLU A 51 30.481 18.985 19.150 1.00 0.00 N ATOM 814 CA GLU A 51 31.550 18.131 19.634 1.00 0.00 C ATOM 815 C GLU A 51 32.894 18.517 19.019 1.00 0.00 C ATOM 816 O GLU A 51 32.998 18.730 17.813 1.00 0.00 O ATOM 817 CB GLU A 51 31.217 16.686 19.294 1.00 0.00 C ATOM 818 CG GLU A 51 32.310 15.780 19.832 1.00 0.00 C ATOM 819 CD GLU A 51 31.867 14.323 19.758 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.674 14.082 19.853 1.00 0.00 O ATOM 821 OE2 GLU A 51 32.726 13.470 19.609 1.00 0.00 O ATOM 0 H GLU A 51 29.849 18.528 18.493 1.00 0.00 H new ATOM 0 HA GLU A 51 31.635 18.253 20.714 1.00 0.00 H new ATOM 0 HB2 GLU A 51 30.255 16.411 19.726 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.127 16.566 18.214 1.00 0.00 H new ATOM 0 HG2 GLU A 51 33.225 15.920 19.256 1.00 0.00 H new ATOM 0 HG3 GLU A 51 32.539 16.047 20.864 1.00 0.00 H new ATOM 828 N ASP A 52 33.910 18.615 19.867 1.00 0.00 N ATOM 829 CA ASP A 52 35.244 18.989 19.431 1.00 0.00 C ATOM 830 C ASP A 52 35.851 17.974 18.456 1.00 0.00 C ATOM 831 O ASP A 52 37.069 17.961 18.268 1.00 0.00 O ATOM 832 CB ASP A 52 36.164 19.105 20.650 1.00 0.00 C ATOM 833 CG ASP A 52 35.483 19.910 21.752 1.00 0.00 C ATOM 834 OD1 ASP A 52 34.369 19.564 22.109 1.00 0.00 O ATOM 835 OD2 ASP A 52 36.089 20.857 22.228 1.00 0.00 O ATOM 0 H ASP A 52 33.831 18.438 20.869 1.00 0.00 H new ATOM 0 HA ASP A 52 35.156 19.943 18.911 1.00 0.00 H new ATOM 0 HB2 ASP A 52 36.417 18.111 21.019 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.099 19.586 20.364 1.00 0.00 H new ATOM 840 N GLY A 53 35.031 17.115 17.839 1.00 0.00 N ATOM 841 CA GLY A 53 35.587 16.123 16.912 1.00 0.00 C ATOM 842 C GLY A 53 34.571 15.597 15.893 1.00 0.00 C ATOM 843 O GLY A 53 34.802 14.551 15.285 1.00 0.00 O ATOM 0 H GLY A 53 34.018 17.084 17.957 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.427 16.568 16.378 1.00 0.00 H new ATOM 0 HA3 GLY A 53 35.982 15.284 17.485 1.00 0.00 H new ATOM 847 N ARG A 54 33.466 16.315 15.683 1.00 0.00 N ATOM 848 CA ARG A 54 32.455 15.879 14.700 1.00 0.00 C ATOM 849 C ARG A 54 32.520 16.731 13.430 1.00 0.00 C ATOM 850 O ARG A 54 33.266 17.711 13.352 1.00 0.00 O ATOM 851 CB ARG A 54 31.040 15.966 15.301 1.00 0.00 C ATOM 852 CG ARG A 54 30.723 14.692 16.104 1.00 0.00 C ATOM 853 CD ARG A 54 29.260 14.715 16.568 1.00 0.00 C ATOM 854 NE ARG A 54 29.112 13.921 17.783 1.00 0.00 N ATOM 855 CZ ARG A 54 27.948 13.845 18.421 1.00 0.00 C ATOM 856 NH1 ARG A 54 27.845 13.125 19.505 1.00 0.00 N ATOM 857 NH2 ARG A 54 26.909 14.487 17.964 1.00 0.00 N ATOM 0 H ARG A 54 33.245 17.185 16.167 1.00 0.00 H new ATOM 0 HA ARG A 54 32.673 14.843 14.442 1.00 0.00 H new ATOM 0 HB2 ARG A 54 30.965 16.840 15.948 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.306 16.095 14.505 1.00 0.00 H new ATOM 0 HG2 ARG A 54 30.905 13.810 15.490 1.00 0.00 H new ATOM 0 HG3 ARG A 54 31.386 14.621 16.967 1.00 0.00 H new ATOM 0 HD2 ARG A 54 28.944 15.742 16.753 1.00 0.00 H new ATOM 0 HD3 ARG A 54 28.614 14.320 15.784 1.00 0.00 H new ATOM 0 HE ARG A 54 29.917 13.414 18.150 1.00 0.00 H new ATOM 0 HH11 ARG A 54 28.657 12.621 19.862 1.00 0.00 H new ATOM 0 HH12 ARG A 54 26.952 13.066 19.995 1.00 0.00 H new ATOM 0 HH21 ARG A 54 26.989 15.048 17.116 1.00 0.00 H new ATOM 0 HH22 ARG A 54 26.017 14.428 18.454 1.00 0.00 H new ATOM 871 N THR A 55 31.719 16.331 12.437 1.00 0.00 N ATOM 872 CA THR A 55 31.651 17.034 11.150 1.00 0.00 C ATOM 873 C THR A 55 30.335 17.792 11.028 1.00 0.00 C ATOM 874 O THR A 55 29.308 17.385 11.587 1.00 0.00 O ATOM 875 CB THR A 55 31.763 16.033 9.998 1.00 0.00 C ATOM 876 OG1 THR A 55 30.753 15.043 10.132 1.00 0.00 O ATOM 877 CG2 THR A 55 33.142 15.367 10.023 1.00 0.00 C ATOM 0 H THR A 55 31.105 15.519 12.500 1.00 0.00 H new ATOM 0 HA THR A 55 32.479 17.741 11.101 1.00 0.00 H new ATOM 0 HB THR A 55 31.636 16.557 9.051 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.231 14.994 9.304 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.217 14.655 9.201 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.915 16.128 9.916 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.276 14.844 10.970 1.00 0.00 H new ATOM 885 N LEU A 56 30.346 18.886 10.273 1.00 0.00 N ATOM 886 CA LEU A 56 29.131 19.646 10.088 1.00 0.00 C ATOM 887 C LEU A 56 28.056 18.744 9.497 1.00 0.00 C ATOM 888 O LEU A 56 26.885 18.880 9.831 1.00 0.00 O ATOM 889 CB LEU A 56 29.382 20.849 9.177 1.00 0.00 C ATOM 890 CG LEU A 56 30.094 21.963 9.960 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.536 21.543 10.283 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.107 23.227 9.106 1.00 0.00 C ATOM 0 H LEU A 56 31.167 19.254 9.792 1.00 0.00 H new ATOM 0 HA LEU A 56 28.793 20.021 11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 56 29.989 20.548 8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.436 21.219 8.781 1.00 0.00 H new ATOM 0 HG LEU A 56 29.567 22.148 10.896 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.031 22.340 10.838 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.524 20.634 10.885 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.077 21.356 9.355 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.610 24.028 9.649 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.638 23.031 8.174 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.083 23.527 8.884 1.00 0.00 H new ATOM 904 N SER A 57 28.451 17.831 8.601 1.00 0.00 N ATOM 905 CA SER A 57 27.498 16.926 7.959 1.00 0.00 C ATOM 906 C SER A 57 26.520 16.339 8.967 1.00 0.00 C ATOM 907 O SER A 57 25.316 16.256 8.699 1.00 0.00 O ATOM 908 CB SER A 57 28.255 15.791 7.264 1.00 0.00 C ATOM 909 OG SER A 57 28.952 15.024 8.238 1.00 0.00 O ATOM 0 H SER A 57 29.419 17.702 8.307 1.00 0.00 H new ATOM 0 HA SER A 57 26.929 17.500 7.228 1.00 0.00 H new ATOM 0 HB2 SER A 57 27.559 15.157 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 57 28.956 16.199 6.536 1.00 0.00 H new ATOM 0 HG SER A 57 29.436 14.296 7.796 1.00 0.00 H new ATOM 915 N ASP A 58 27.026 15.966 10.138 1.00 0.00 N ATOM 916 CA ASP A 58 26.164 15.422 11.176 1.00 0.00 C ATOM 917 C ASP A 58 25.180 16.499 11.601 1.00 0.00 C ATOM 918 O ASP A 58 23.998 16.238 11.847 1.00 0.00 O ATOM 919 CB ASP A 58 27.001 14.979 12.383 1.00 0.00 C ATOM 920 CG ASP A 58 27.789 13.717 12.043 1.00 0.00 C ATOM 921 OD1 ASP A 58 27.425 13.053 11.088 1.00 0.00 O ATOM 922 OD2 ASP A 58 28.746 13.433 12.747 1.00 0.00 O ATOM 0 H ASP A 58 28.013 16.029 10.388 1.00 0.00 H new ATOM 0 HA ASP A 58 25.628 14.555 10.790 1.00 0.00 H new ATOM 0 HB2 ASP A 58 27.685 15.777 12.673 1.00 0.00 H new ATOM 0 HB3 ASP A 58 26.350 14.791 13.237 1.00 0.00 H new ATOM 927 N TYR A 59 25.687 17.723 11.668 1.00 0.00 N ATOM 928 CA TYR A 59 24.871 18.866 12.054 1.00 0.00 C ATOM 929 C TYR A 59 24.151 19.476 10.847 1.00 0.00 C ATOM 930 O TYR A 59 23.397 20.439 10.993 1.00 0.00 O ATOM 931 CB TYR A 59 25.768 19.921 12.691 1.00 0.00 C ATOM 932 CG TYR A 59 26.228 19.444 14.055 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.578 19.139 14.278 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.303 19.308 15.099 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.001 18.697 15.541 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.725 18.866 16.361 1.00 0.00 C ATOM 937 CZ TYR A 59 27.074 18.561 16.580 1.00 0.00 C ATOM 938 OH TYR A 59 27.489 18.126 17.825 1.00 0.00 O ATOM 0 H TYR A 59 26.660 17.950 11.460 1.00 0.00 H new ATOM 0 HA TYR A 59 24.115 18.526 12.761 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.630 20.113 12.052 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.227 20.862 12.788 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.294 19.244 13.476 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.263 19.544 14.931 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.041 18.462 15.711 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.010 18.761 17.164 1.00 0.00 H new ATOM 0 HH TYR A 59 26.720 18.088 18.431 1.00 0.00 H new ATOM 948 N ASN A 60 24.386 18.920 9.656 1.00 0.00 N ATOM 949 CA ASN A 60 23.745 19.436 8.443 1.00 0.00 C ATOM 950 C ASN A 60 22.358 18.838 8.282 1.00 0.00 C ATOM 951 O ASN A 60 21.408 19.543 7.944 1.00 0.00 O ATOM 952 CB ASN A 60 24.585 19.117 7.203 1.00 0.00 C ATOM 953 CG ASN A 60 23.976 19.801 5.979 1.00 0.00 C ATOM 954 OD1 ASN A 60 23.424 20.895 6.089 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.042 19.217 4.813 1.00 0.00 N ATOM 0 H ASN A 60 25.006 18.124 9.506 1.00 0.00 H new ATOM 0 HA ASN A 60 23.662 20.518 8.543 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.610 19.457 7.349 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.626 18.039 7.047 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.636 19.668 3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 60 24.500 18.310 4.722 1.00 0.00 H new ATOM 962 N ILE A 61 22.241 17.540 8.533 1.00 0.00 N ATOM 963 CA ILE A 61 20.948 16.887 8.414 1.00 0.00 C ATOM 964 C ILE A 61 19.964 17.560 9.363 1.00 0.00 C ATOM 965 O ILE A 61 18.830 17.865 8.997 1.00 0.00 O ATOM 966 CB ILE A 61 21.080 15.388 8.733 1.00 0.00 C ATOM 967 CG1 ILE A 61 19.847 14.649 8.218 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.199 15.167 10.242 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.013 13.143 8.450 1.00 0.00 C ATOM 0 H ILE A 61 23.009 16.931 8.814 1.00 0.00 H new ATOM 0 HA ILE A 61 20.579 16.981 7.393 1.00 0.00 H new ATOM 0 HB ILE A 61 21.978 15.007 8.247 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.955 15.009 8.730 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.708 14.850 7.156 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.291 14.101 10.447 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.081 15.687 10.617 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.310 15.556 10.738 1.00 0.00 H new ATOM 0 HD11 ILE A 61 19.131 12.619 8.081 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.895 12.788 7.918 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.131 12.950 9.516 1.00 0.00 H new ATOM 981 N GLN A 62 20.420 17.781 10.590 1.00 0.00 N ATOM 982 CA GLN A 62 19.591 18.419 11.603 1.00 0.00 C ATOM 983 C GLN A 62 19.395 19.896 11.264 1.00 0.00 C ATOM 984 O GLN A 62 19.516 20.759 12.133 1.00 0.00 O ATOM 985 CB GLN A 62 20.273 18.300 12.974 1.00 0.00 C ATOM 986 CG GLN A 62 20.292 16.839 13.441 1.00 0.00 C ATOM 987 CD GLN A 62 18.869 16.334 13.643 1.00 0.00 C ATOM 988 OE1 GLN A 62 18.368 15.542 12.845 1.00 0.00 O ATOM 989 NE2 GLN A 62 18.187 16.751 14.673 1.00 0.00 N ATOM 0 H GLN A 62 21.356 17.529 10.906 1.00 0.00 H new ATOM 0 HA GLN A 62 18.620 17.924 11.630 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.292 18.682 12.914 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.745 18.914 13.704 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.804 16.220 12.704 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.852 16.754 14.373 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.607 17.407 15.331 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.233 16.421 14.821 1.00 0.00 H new ATOM 998 N LYS A 63 19.085 20.187 9.998 1.00 0.00 N ATOM 999 CA LYS A 63 18.871 21.564 9.564 1.00 0.00 C ATOM 1000 C LYS A 63 17.496 22.082 9.988 1.00 0.00 C ATOM 1001 O LYS A 63 16.687 22.470 9.148 1.00 0.00 O ATOM 1002 CB LYS A 63 19.021 21.662 8.038 1.00 0.00 C ATOM 1003 CG LYS A 63 18.144 20.610 7.346 1.00 0.00 C ATOM 1004 CD LYS A 63 18.043 20.925 5.850 1.00 0.00 C ATOM 1005 CE LYS A 63 17.130 19.899 5.176 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.059 20.171 3.711 1.00 0.00 N ATOM 0 H LYS A 63 18.978 19.490 9.261 1.00 0.00 H new ATOM 0 HA LYS A 63 19.625 22.187 10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 63 18.738 22.659 7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.064 21.516 7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.569 19.617 7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.150 20.600 7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.648 21.931 5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.033 20.902 5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.509 18.892 5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.132 19.944 5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.437 19.471 3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.678 21.126 3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.012 20.106 3.299 1.00 0.00 H new ATOM 1020 N GLU A 64 17.233 22.083 11.288 1.00 0.00 N ATOM 1021 CA GLU A 64 15.943 22.554 11.782 1.00 0.00 C ATOM 1022 C GLU A 64 15.680 23.975 11.291 1.00 0.00 C ATOM 1023 O GLU A 64 14.554 24.323 10.923 1.00 0.00 O ATOM 1024 CB GLU A 64 15.935 22.542 13.313 1.00 0.00 C ATOM 1025 CG GLU A 64 16.156 21.116 13.823 1.00 0.00 C ATOM 1026 CD GLU A 64 16.184 21.107 15.349 1.00 0.00 C ATOM 1027 OE1 GLU A 64 16.838 21.966 15.914 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.550 20.239 15.928 1.00 0.00 O ATOM 0 H GLU A 64 17.882 21.769 12.010 1.00 0.00 H new ATOM 0 HA GLU A 64 15.163 21.891 11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.716 23.199 13.695 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.985 22.927 13.684 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.361 20.464 13.462 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.094 20.722 13.431 1.00 0.00 H new HETATM 1035 N SEP A 65 16.739 24.782 11.270 1.00 0.00 N HETATM 1036 CA SEP A 65 16.668 26.170 10.808 1.00 0.00 C HETATM 1037 CB SEP A 65 16.881 27.124 11.978 1.00 0.00 C HETATM 1038 OG SEP A 65 16.725 28.460 11.522 1.00 0.00 O HETATM 1039 C SEP A 65 17.734 26.407 9.742 1.00 0.00 C HETATM 1040 O SEP A 65 18.089 25.490 9.001 1.00 0.00 O HETATM 1041 P SEP A 65 16.695 29.614 12.533 1.00 0.00 P HETATM 1042 O1P SEP A 65 17.532 29.109 13.757 1.00 0.00 O HETATM 1043 O2P SEP A 65 15.178 29.831 12.867 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.347 30.832 11.793 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.165 26.911 12.772 1.00 0.00 H new HETATM 0 HB2 SEP A 65 17.876 26.985 12.401 1.00 0.00 H new HETATM 0 HA SEP A 65 15.682 26.355 10.381 1.00 0.00 H new ATOM 1049 N THR A 66 18.263 27.628 9.675 1.00 0.00 N ATOM 1050 CA THR A 66 19.309 27.949 8.703 1.00 0.00 C ATOM 1051 C THR A 66 20.669 27.624 9.306 1.00 0.00 C ATOM 1052 O THR A 66 20.749 27.198 10.458 1.00 0.00 O ATOM 1053 CB THR A 66 19.232 29.442 8.339 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.793 30.179 9.473 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.242 29.636 7.190 1.00 0.00 C ATOM 0 H THR A 66 17.988 28.405 10.276 1.00 0.00 H new ATOM 0 HA THR A 66 19.168 27.358 7.798 1.00 0.00 H new ATOM 0 HB THR A 66 20.216 29.795 8.032 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.591 31.100 9.206 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.187 30.694 6.932 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.576 29.067 6.322 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.256 29.286 7.496 1.00 0.00 H new ATOM 1063 N LEU A 67 21.745 27.805 8.543 1.00 0.00 N ATOM 1064 CA LEU A 67 23.076 27.500 9.054 1.00 0.00 C ATOM 1065 C LEU A 67 23.599 28.646 9.914 1.00 0.00 C ATOM 1066 O LEU A 67 24.789 28.967 9.888 1.00 0.00 O ATOM 1067 CB LEU A 67 24.022 27.266 7.870 1.00 0.00 C ATOM 1068 CG LEU A 67 23.318 26.397 6.820 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.285 26.075 5.678 1.00 0.00 C ATOM 1070 CD2 LEU A 67 22.846 25.094 7.468 1.00 0.00 C ATOM 0 H LEU A 67 21.722 28.155 7.585 1.00 0.00 H new ATOM 0 HA LEU A 67 23.024 26.605 9.673 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.316 28.219 7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.935 26.777 8.210 1.00 0.00 H new ATOM 0 HG LEU A 67 22.460 26.940 6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.779 25.458 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.619 27.002 5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.147 25.536 6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.346 24.477 6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.705 24.555 7.868 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.151 25.321 8.276 1.00 0.00 H new ATOM 1082 N HIS A 68 22.696 29.250 10.680 1.00 0.00 N ATOM 1083 CA HIS A 68 23.074 30.349 11.559 1.00 0.00 C ATOM 1084 C HIS A 68 23.661 29.782 12.843 1.00 0.00 C ATOM 1085 O HIS A 68 23.042 28.950 13.506 1.00 0.00 O ATOM 1086 CB HIS A 68 21.850 31.200 11.890 1.00 0.00 C ATOM 1087 CG HIS A 68 21.351 31.858 10.636 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.898 31.586 9.392 1.00 0.00 N ATOM 1089 CD2 HIS A 68 20.358 32.778 10.417 1.00 0.00 C ATOM 1090 CE1 HIS A 68 21.236 32.329 8.487 1.00 0.00 C ATOM 1091 NE2 HIS A 68 20.286 33.075 9.059 1.00 0.00 N ATOM 0 H HIS A 68 21.708 29.000 10.710 1.00 0.00 H new ATOM 0 HA HIS A 68 23.814 30.973 11.058 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.067 30.579 12.325 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.107 31.955 12.633 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.728 33.207 11.182 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.446 32.323 7.428 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.646 33.723 8.599 1.00 0.00 H new ATOM 1100 N LEU A 69 24.871 30.220 13.178 1.00 0.00 N ATOM 1101 CA LEU A 69 25.562 29.741 14.373 1.00 0.00 C ATOM 1102 C LEU A 69 25.719 30.863 15.393 1.00 0.00 C ATOM 1103 O LEU A 69 26.025 31.999 15.031 1.00 0.00 O ATOM 1104 CB LEU A 69 26.941 29.212 13.956 1.00 0.00 C ATOM 1105 CG LEU A 69 27.758 28.784 15.181 1.00 0.00 C ATOM 1106 CD1 LEU A 69 26.973 27.756 16.005 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.077 28.166 14.707 1.00 0.00 C ATOM 0 H LEU A 69 25.395 30.908 12.638 1.00 0.00 H new ATOM 0 HA LEU A 69 24.978 28.946 14.838 1.00 0.00 H new ATOM 0 HB2 LEU A 69 26.821 28.365 13.281 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.480 29.984 13.407 1.00 0.00 H new ATOM 0 HG LEU A 69 27.959 29.654 15.806 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.562 27.459 16.873 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.034 28.197 16.338 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.764 26.880 15.391 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.666 27.858 15.571 1.00 0.00 H new ATOM 0 HD22 LEU A 69 28.868 27.298 14.082 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.637 28.902 14.130 1.00 0.00 H new ATOM 1119 N VAL A 70 25.535 30.535 16.674 1.00 0.00 N ATOM 1120 CA VAL A 70 25.686 31.519 17.737 1.00 0.00 C ATOM 1121 C VAL A 70 27.019 31.318 18.440 1.00 0.00 C ATOM 1122 O VAL A 70 27.307 30.237 18.957 1.00 0.00 O ATOM 1123 CB VAL A 70 24.533 31.391 18.735 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.820 32.233 19.982 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.254 31.892 18.068 1.00 0.00 C ATOM 0 H VAL A 70 25.283 29.600 16.994 1.00 0.00 H new ATOM 0 HA VAL A 70 25.664 32.520 17.305 1.00 0.00 H new ATOM 0 HB VAL A 70 24.421 30.349 19.033 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.993 32.135 20.686 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.740 31.885 20.452 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.931 33.279 19.697 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.422 31.807 18.767 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.380 32.935 17.778 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.046 31.292 17.182 1.00 0.00 H new ATOM 1135 N LEU A 71 27.833 32.371 18.454 1.00 0.00 N ATOM 1136 CA LEU A 71 29.142 32.309 19.094 1.00 0.00 C ATOM 1137 C LEU A 71 29.066 32.806 20.531 1.00 0.00 C ATOM 1138 O LEU A 71 28.684 33.948 20.788 1.00 0.00 O ATOM 1139 CB LEU A 71 30.155 33.152 18.310 1.00 0.00 C ATOM 1140 CG LEU A 71 31.592 32.750 18.706 1.00 0.00 C ATOM 1141 CD1 LEU A 71 32.039 31.511 17.917 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.554 33.903 18.406 1.00 0.00 C ATOM 0 H LEU A 71 27.610 33.272 18.032 1.00 0.00 H new ATOM 0 HA LEU A 71 29.467 31.269 19.101 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.010 33.008 17.239 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.995 34.211 18.514 1.00 0.00 H new ATOM 0 HG LEU A 71 31.605 32.522 19.772 1.00 0.00 H new ATOM 0 HD11 LEU A 71 33.054 31.241 18.208 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.367 30.680 18.132 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.014 31.731 16.850 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.567 33.614 18.687 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.525 34.133 17.341 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.256 34.783 18.976 1.00 0.00 H new ATOM 1154 N ARG A 72 29.455 31.940 21.461 1.00 0.00 N ATOM 1155 CA ARG A 72 29.458 32.282 22.883 1.00 0.00 C ATOM 1156 C ARG A 72 30.889 32.589 23.328 1.00 0.00 C ATOM 1157 O ARG A 72 31.826 31.889 22.949 1.00 0.00 O ATOM 1158 CB ARG A 72 28.890 31.103 23.701 1.00 0.00 C ATOM 1159 CG ARG A 72 27.361 31.208 23.844 1.00 0.00 C ATOM 1160 CD ARG A 72 26.896 30.282 24.972 1.00 0.00 C ATOM 1161 NE ARG A 72 27.258 30.849 26.267 1.00 0.00 N ATOM 1162 CZ ARG A 72 27.281 30.098 27.363 1.00 0.00 C ATOM 1163 NH1 ARG A 72 27.610 30.626 28.511 1.00 0.00 N ATOM 1164 NH2 ARG A 72 26.975 28.832 27.291 1.00 0.00 N ATOM 0 H ARG A 72 29.774 30.993 21.257 1.00 0.00 H new ATOM 0 HA ARG A 72 28.835 33.161 23.050 1.00 0.00 H new ATOM 0 HB2 ARG A 72 29.148 30.162 23.215 1.00 0.00 H new ATOM 0 HB3 ARG A 72 29.350 31.088 24.689 1.00 0.00 H new ATOM 0 HG2 ARG A 72 27.074 32.237 24.060 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.876 30.932 22.908 1.00 0.00 H new ATOM 0 HD2 ARG A 72 25.816 30.142 24.916 1.00 0.00 H new ATOM 0 HD3 ARG A 72 27.351 29.298 24.857 1.00 0.00 H new ATOM 0 HE ARG A 72 27.497 31.838 26.332 1.00 0.00 H new ATOM 0 HH11 ARG A 72 27.850 31.616 28.567 1.00 0.00 H new ATOM 0 HH12 ARG A 72 27.627 30.049 29.352 1.00 0.00 H new ATOM 0 HH21 ARG A 72 26.718 28.420 26.394 1.00 0.00 H new ATOM 0 HH22 ARG A 72 26.992 28.255 28.132 1.00 0.00 H new ATOM 1178 N LEU A 73 31.044 33.634 24.141 1.00 0.00 N ATOM 1179 CA LEU A 73 32.366 34.027 24.645 1.00 0.00 C ATOM 1180 C LEU A 73 32.370 34.044 26.169 1.00 0.00 C ATOM 1181 O LEU A 73 31.489 34.634 26.794 1.00 0.00 O ATOM 1182 CB LEU A 73 32.746 35.412 24.112 1.00 0.00 C ATOM 1183 CG LEU A 73 34.261 35.650 24.292 1.00 0.00 C ATOM 1184 CD1 LEU A 73 35.044 35.038 23.121 1.00 0.00 C ATOM 1185 CD2 LEU A 73 34.545 37.155 24.343 1.00 0.00 C ATOM 0 H LEU A 73 30.277 34.223 24.465 1.00 0.00 H new ATOM 0 HA LEU A 73 33.098 33.298 24.297 1.00 0.00 H new ATOM 0 HB2 LEU A 73 32.480 35.491 23.058 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.183 36.181 24.641 1.00 0.00 H new ATOM 0 HG LEU A 73 34.576 35.177 25.222 1.00 0.00 H new ATOM 0 HD11 LEU A 73 36.110 35.215 23.264 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.857 33.965 23.079 1.00 0.00 H new ATOM 0 HD13 LEU A 73 34.722 35.499 22.187 1.00 0.00 H new ATOM 0 HD21 LEU A 73 35.615 37.319 24.470 1.00 0.00 H new ATOM 0 HD22 LEU A 73 34.214 37.619 23.414 1.00 0.00 H new ATOM 0 HD23 LEU A 73 34.008 37.598 25.181 1.00 0.00 H new ATOM 1197 N ARG A 74 33.369 33.399 26.763 1.00 0.00 N ATOM 1198 CA ARG A 74 33.472 33.352 28.216 1.00 0.00 C ATOM 1199 C ARG A 74 33.760 34.737 28.782 1.00 0.00 C ATOM 1200 O ARG A 74 33.150 35.155 29.766 1.00 0.00 O ATOM 1201 CB ARG A 74 34.597 32.395 28.625 1.00 0.00 C ATOM 1202 CG ARG A 74 34.497 32.061 30.125 1.00 0.00 C ATOM 1203 CD ARG A 74 33.564 30.863 30.337 1.00 0.00 C ATOM 1204 NE ARG A 74 33.471 30.540 31.754 1.00 0.00 N ATOM 1205 CZ ARG A 74 32.671 29.572 32.183 1.00 0.00 C ATOM 1206 NH1 ARG A 74 32.606 29.296 33.456 1.00 0.00 N ATOM 1207 NH2 ARG A 74 31.947 28.901 31.329 1.00 0.00 N ATOM 0 H ARG A 74 34.111 32.907 26.266 1.00 0.00 H new ATOM 0 HA ARG A 74 32.522 32.999 28.616 1.00 0.00 H new ATOM 0 HB2 ARG A 74 34.536 31.479 28.037 1.00 0.00 H new ATOM 0 HB3 ARG A 74 35.565 32.848 28.410 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.487 31.836 30.522 1.00 0.00 H new ATOM 0 HG3 ARG A 74 34.122 32.925 30.674 1.00 0.00 H new ATOM 0 HD2 ARG A 74 32.573 31.091 29.943 1.00 0.00 H new ATOM 0 HD3 ARG A 74 33.937 30.001 29.784 1.00 0.00 H new ATOM 0 HE ARG A 74 34.029 31.066 32.427 1.00 0.00 H new ATOM 0 HH11 ARG A 74 33.170 29.824 34.122 1.00 0.00 H new ATOM 0 HH12 ARG A 74 31.991 28.552 33.786 1.00 0.00 H new ATOM 0 HH21 ARG A 74 31.997 29.121 30.334 1.00 0.00 H new ATOM 0 HH22 ARG A 74 31.331 28.157 31.656 1.00 0.00 H new ATOM 1221 N GLY A 75 34.696 35.444 28.156 1.00 0.00 N ATOM 1222 CA GLY A 75 35.059 36.782 28.609 1.00 0.00 C ATOM 1223 C GLY A 75 35.685 36.736 29.999 1.00 0.00 C ATOM 1224 O GLY A 75 36.315 35.747 30.375 1.00 0.00 O ATOM 0 H GLY A 75 35.213 35.116 27.340 1.00 0.00 H new ATOM 0 HA2 GLY A 75 35.760 37.231 27.905 1.00 0.00 H new ATOM 0 HA3 GLY A 75 34.173 37.417 28.626 1.00 0.00 H new ATOM 1228 N GLY A 76 35.508 37.813 30.758 1.00 0.00 N ATOM 1229 CA GLY A 76 36.060 37.887 32.104 1.00 0.00 C ATOM 1230 C GLY A 76 37.552 37.568 32.099 1.00 0.00 C ATOM 1231 O GLY A 76 38.042 37.103 33.115 1.00 0.00 O ATOM 1232 OXT GLY A 76 38.182 37.792 31.078 1.00 0.00 O ATOM 0 H GLY A 76 34.990 38.641 30.465 1.00 0.00 H new ATOM 0 HA2 GLY A 76 35.899 38.884 32.513 1.00 0.00 H new ATOM 0 HA3 GLY A 76 35.537 37.187 32.755 1.00 0.00 H new TER 1236 GLY A 76