USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -61:sc= 1.13 USER MOD Set 1.2: A 9 THR OG1 : rot -13:sc= 0.691 USER MOD Set 1.3: A 11 LYS NZ :NH3+ -113:sc= 1.4 (180deg=0.0424) USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00209) USER MOD Single : A 1 MET N :NH3+ -144:sc= 1.49 (180deg=0.529) USER MOD Single : A 2 GLN : amide:sc= 0.186 X(o=0.19,f=-0.13) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 0.961 (180deg=0.959) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -41:sc= 0.233 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.281 USER MOD Single : A 25 ASN : amide:sc= 0.965 K(o=0.96,f=-0.41) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 1.1 (180deg=0.138) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.24) USER MOD Single : A 31 GLN : amide:sc= -0.123 K(o=-0.12,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 41 GLN : amide:sc= 1.15 K(o=1.1,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.85 K(o=1.9,f=-5!) USER MOD Single : A 55 THR OG1 : rot -57:sc= 1.25 USER MOD Single : A 57 SER OG : rot 67:sc= 0.981 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.384 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 75:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.327 K(o=-0.33,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.050 51.897 19.753 1.00 0.00 N ATOM 2 CA MET A 1 33.491 51.701 21.141 1.00 0.00 C ATOM 3 C MET A 1 34.912 52.242 21.317 1.00 0.00 C ATOM 4 O MET A 1 35.805 51.860 20.565 1.00 0.00 O ATOM 5 CB MET A 1 33.403 50.231 21.544 1.00 0.00 C ATOM 6 CG MET A 1 33.809 49.964 22.989 1.00 0.00 C ATOM 7 SD MET A 1 33.958 48.217 23.439 1.00 0.00 S ATOM 8 CE MET A 1 32.226 47.696 23.386 1.00 0.00 C ATOM 0 H1 MET A 1 32.035 52.123 19.740 1.00 0.00 H new ATOM 0 H2 MET A 1 33.585 52.680 19.326 1.00 0.00 H new ATOM 0 H3 MET A 1 33.218 51.026 19.209 1.00 0.00 H new ATOM 0 HA MET A 1 32.825 52.257 21.801 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.381 49.883 21.393 1.00 0.00 H new ATOM 0 HB3 MET A 1 34.040 49.644 20.883 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.764 50.454 23.177 1.00 0.00 H new ATOM 0 HG3 MET A 1 33.076 50.431 23.647 1.00 0.00 H new ATOM 0 HE1 MET A 1 32.154 46.643 23.659 1.00 0.00 H new ATOM 0 HE2 MET A 1 31.645 48.293 24.088 1.00 0.00 H new ATOM 0 HE3 MET A 1 31.834 47.837 22.379 1.00 0.00 H new ATOM 20 N GLN A 2 35.148 53.059 22.340 1.00 0.00 N ATOM 21 CA GLN A 2 36.472 53.465 22.768 1.00 0.00 C ATOM 22 C GLN A 2 37.050 52.460 23.765 1.00 0.00 C ATOM 23 O GLN A 2 36.340 52.073 24.691 1.00 0.00 O ATOM 24 CB GLN A 2 36.399 54.834 23.437 1.00 0.00 C ATOM 25 CG GLN A 2 35.971 55.981 22.527 1.00 0.00 C ATOM 26 CD GLN A 2 37.116 56.523 21.669 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.687 57.575 21.947 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.471 55.865 20.569 1.00 0.00 N ATOM 0 H GLN A 2 34.401 53.464 22.905 1.00 0.00 H new ATOM 0 HA GLN A 2 37.116 53.509 21.890 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.702 54.775 24.273 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.378 55.069 23.855 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.166 55.640 21.876 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.567 56.789 23.136 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.006 54.990 20.325 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.208 56.235 19.969 1.00 0.00 H new ATOM 37 N ILE A 3 38.321 52.089 23.644 1.00 0.00 N ATOM 38 CA ILE A 3 39.061 51.368 24.661 1.00 0.00 C ATOM 39 C ILE A 3 40.448 51.979 24.869 1.00 0.00 C ATOM 40 O ILE A 3 41.041 52.516 23.935 1.00 0.00 O ATOM 41 CB ILE A 3 39.135 49.865 24.408 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.857 49.448 23.131 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.743 49.241 24.441 1.00 0.00 C ATOM 44 CD1 ILE A 3 41.347 49.169 23.309 1.00 0.00 C ATOM 0 H ILE A 3 38.875 52.289 22.811 1.00 0.00 H new ATOM 0 HA ILE A 3 38.498 51.480 25.587 1.00 0.00 H new ATOM 0 HB ILE A 3 39.748 49.485 25.225 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.378 48.554 22.733 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.734 50.234 22.386 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.820 48.169 24.258 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.291 49.411 25.418 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.122 49.697 23.670 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.780 48.879 22.351 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.844 50.067 23.675 1.00 0.00 H new ATOM 0 HD13 ILE A 3 41.483 48.361 24.028 1.00 0.00 H new ATOM 56 N PHE A 4 40.985 51.877 26.081 1.00 0.00 N ATOM 57 CA PHE A 4 42.327 52.303 26.423 1.00 0.00 C ATOM 58 C PHE A 4 43.335 51.157 26.303 1.00 0.00 C ATOM 59 O PHE A 4 43.009 50.012 26.606 1.00 0.00 O ATOM 60 CB PHE A 4 42.361 52.854 27.845 1.00 0.00 C ATOM 61 CG PHE A 4 41.588 54.123 28.116 1.00 0.00 C ATOM 62 CD1 PHE A 4 42.051 55.345 27.611 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.469 54.104 28.957 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.409 56.539 27.958 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.823 55.297 29.299 1.00 0.00 C ATOM 66 CZ PHE A 4 40.293 56.519 28.803 1.00 0.00 C ATOM 0 H PHE A 4 40.478 51.482 26.873 1.00 0.00 H new ATOM 0 HA PHE A 4 42.608 53.083 25.716 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.985 52.081 28.515 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.403 53.030 28.114 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.906 55.366 26.952 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.103 53.164 29.343 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.776 57.479 27.573 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.960 55.275 29.947 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.798 57.441 29.071 1.00 0.00 H new ATOM 76 N VAL A 5 44.585 51.465 25.969 1.00 0.00 N ATOM 77 CA VAL A 5 45.708 50.559 26.091 1.00 0.00 C ATOM 78 C VAL A 5 46.883 51.239 26.798 1.00 0.00 C ATOM 79 O VAL A 5 47.396 52.254 26.331 1.00 0.00 O ATOM 80 CB VAL A 5 46.159 49.969 24.758 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.101 48.792 24.993 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.014 49.475 23.878 1.00 0.00 C ATOM 0 H VAL A 5 44.845 52.378 25.596 1.00 0.00 H new ATOM 0 HA VAL A 5 45.356 49.724 26.697 1.00 0.00 H new ATOM 0 HB VAL A 5 46.654 50.788 24.237 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.415 48.380 24.034 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.976 49.132 25.546 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.585 48.022 25.567 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.417 49.071 22.950 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.461 48.696 24.403 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.345 50.305 23.652 1.00 0.00 H new ATOM 92 N LYS A 6 47.343 50.668 27.907 1.00 0.00 N ATOM 93 CA LYS A 6 48.532 51.084 28.624 1.00 0.00 C ATOM 94 C LYS A 6 49.773 50.584 27.883 1.00 0.00 C ATOM 95 O LYS A 6 49.982 49.377 27.778 1.00 0.00 O ATOM 96 CB LYS A 6 48.435 50.589 30.065 1.00 0.00 C ATOM 97 CG LYS A 6 49.328 51.310 31.069 1.00 0.00 C ATOM 98 CD LYS A 6 50.837 51.122 30.933 1.00 0.00 C ATOM 99 CE LYS A 6 51.273 49.660 30.907 1.00 0.00 C ATOM 100 NZ LYS A 6 52.738 49.534 30.886 1.00 0.00 N ATOM 0 H LYS A 6 46.876 49.873 28.343 1.00 0.00 H new ATOM 0 HA LYS A 6 48.616 52.170 28.665 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.400 50.682 30.394 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.681 49.527 30.083 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.115 52.377 31.003 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.038 50.988 32.069 1.00 0.00 H new ATOM 0 HD2 LYS A 6 51.174 51.609 30.018 1.00 0.00 H new ATOM 0 HD3 LYS A 6 51.333 51.625 31.763 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.875 49.145 31.781 1.00 0.00 H new ATOM 0 HE3 LYS A 6 50.852 49.169 30.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 53.000 48.528 30.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 53.113 49.990 30.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 53.138 49.996 31.728 1.00 0.00 H new ATOM 114 N THR A 7 50.572 51.502 27.345 1.00 0.00 N ATOM 115 CA THR A 7 51.689 51.243 26.460 1.00 0.00 C ATOM 116 C THR A 7 52.956 50.767 27.172 1.00 0.00 C ATOM 117 O THR A 7 53.065 50.865 28.393 1.00 0.00 O ATOM 118 CB THR A 7 52.033 52.488 25.647 1.00 0.00 C ATOM 119 OG1 THR A 7 52.579 53.470 26.499 1.00 0.00 O ATOM 120 CG2 THR A 7 50.847 53.077 24.887 1.00 0.00 C ATOM 0 H THR A 7 50.445 52.497 27.529 1.00 0.00 H new ATOM 0 HA THR A 7 51.353 50.432 25.814 1.00 0.00 H new ATOM 0 HB THR A 7 52.757 52.174 24.895 1.00 0.00 H new ATOM 0 HG1 THR A 7 51.922 53.710 27.185 1.00 0.00 H new ATOM 0 HG21 THR A 7 51.171 53.959 24.334 1.00 0.00 H new ATOM 0 HG22 THR A 7 50.456 52.335 24.191 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.066 53.359 25.593 1.00 0.00 H new ATOM 128 N LEU A 8 53.954 50.308 26.421 1.00 0.00 N ATOM 129 CA LEU A 8 55.237 49.896 26.953 1.00 0.00 C ATOM 130 C LEU A 8 56.064 51.054 27.515 1.00 0.00 C ATOM 131 O LEU A 8 56.927 50.818 28.358 1.00 0.00 O ATOM 132 CB LEU A 8 56.049 49.188 25.872 1.00 0.00 C ATOM 133 CG LEU A 8 55.425 47.925 25.286 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.291 47.376 24.155 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.255 46.817 26.320 1.00 0.00 C ATOM 0 H LEU A 8 53.886 50.213 25.408 1.00 0.00 H new ATOM 0 HA LEU A 8 55.018 49.221 27.781 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.227 49.892 25.059 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.023 48.929 26.288 1.00 0.00 H new ATOM 0 HG LEU A 8 54.441 48.219 24.921 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.831 46.475 23.749 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.379 48.125 23.368 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.282 47.135 24.540 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.807 45.943 25.847 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.229 46.548 26.729 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.607 47.166 27.124 1.00 0.00 H new ATOM 147 N THR A 9 55.807 52.289 27.094 1.00 0.00 N ATOM 148 CA THR A 9 56.554 53.464 27.493 1.00 0.00 C ATOM 149 C THR A 9 55.952 54.202 28.690 1.00 0.00 C ATOM 150 O THR A 9 56.576 55.133 29.196 1.00 0.00 O ATOM 151 CB THR A 9 56.737 54.428 26.324 1.00 0.00 C ATOM 152 OG1 THR A 9 55.490 54.946 25.918 1.00 0.00 O ATOM 153 CG2 THR A 9 57.379 53.787 25.097 1.00 0.00 C ATOM 0 H THR A 9 55.048 52.500 26.446 1.00 0.00 H new ATOM 0 HA THR A 9 57.527 53.091 27.812 1.00 0.00 H new ATOM 0 HB THR A 9 57.402 55.208 26.696 1.00 0.00 H new ATOM 0 HG1 THR A 9 54.770 54.427 26.333 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.477 54.532 24.307 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.365 53.405 25.360 1.00 0.00 H new ATOM 0 HG23 THR A 9 56.754 52.966 24.746 1.00 0.00 H new ATOM 161 N GLY A 10 54.773 53.809 29.165 1.00 0.00 N ATOM 162 CA GLY A 10 54.120 54.364 30.333 1.00 0.00 C ATOM 163 C GLY A 10 52.935 55.289 30.048 1.00 0.00 C ATOM 164 O GLY A 10 52.110 55.493 30.936 1.00 0.00 O ATOM 0 H GLY A 10 54.230 53.066 28.725 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.774 53.542 30.959 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.859 54.917 30.912 1.00 0.00 H new ATOM 168 N LYS A 11 52.782 55.788 28.825 1.00 0.00 N ATOM 169 CA LYS A 11 51.609 56.510 28.374 1.00 0.00 C ATOM 170 C LYS A 11 50.425 55.579 28.105 1.00 0.00 C ATOM 171 O LYS A 11 50.596 54.365 28.040 1.00 0.00 O ATOM 172 CB LYS A 11 51.959 57.373 27.165 1.00 0.00 C ATOM 173 CG LYS A 11 52.281 56.566 25.911 1.00 0.00 C ATOM 174 CD LYS A 11 52.699 57.421 24.718 1.00 0.00 C ATOM 175 CE LYS A 11 52.856 56.542 23.481 1.00 0.00 C ATOM 176 NZ LYS A 11 53.972 55.590 23.572 1.00 0.00 N ATOM 0 H LYS A 11 53.496 55.695 28.102 1.00 0.00 H new ATOM 0 HA LYS A 11 51.285 57.172 29.177 1.00 0.00 H new ATOM 0 HB2 LYS A 11 51.125 58.041 26.952 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.815 58.001 27.413 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.081 55.862 26.139 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.406 55.977 25.635 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.953 58.194 24.534 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.638 57.930 24.935 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.931 55.989 23.319 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.004 57.179 22.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.704 55.846 22.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.377 55.620 24.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.626 54.630 23.372 1.00 0.00 H new ATOM 190 N THR A 12 49.240 56.134 27.864 1.00 0.00 N ATOM 191 CA THR A 12 48.059 55.390 27.473 1.00 0.00 C ATOM 192 C THR A 12 47.466 55.916 26.166 1.00 0.00 C ATOM 193 O THR A 12 47.298 57.118 25.974 1.00 0.00 O ATOM 194 CB THR A 12 47.049 55.373 28.617 1.00 0.00 C ATOM 195 OG1 THR A 12 47.561 54.572 29.658 1.00 0.00 O ATOM 196 CG2 THR A 12 45.691 54.775 28.263 1.00 0.00 C ATOM 0 H THR A 12 49.077 57.138 27.939 1.00 0.00 H new ATOM 0 HA THR A 12 48.346 54.358 27.273 1.00 0.00 H new ATOM 0 HB THR A 12 46.900 56.419 28.885 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.922 54.554 30.401 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.041 54.806 29.137 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.240 55.350 27.455 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.821 53.741 27.944 1.00 0.00 H new ATOM 204 N ILE A 13 47.154 55.005 25.248 1.00 0.00 N ATOM 205 CA ILE A 13 46.530 55.280 23.969 1.00 0.00 C ATOM 206 C ILE A 13 45.048 54.901 23.990 1.00 0.00 C ATOM 207 O ILE A 13 44.652 54.043 24.776 1.00 0.00 O ATOM 208 CB ILE A 13 47.282 54.606 22.825 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.361 53.092 22.992 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.652 55.257 22.658 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.049 52.329 21.863 1.00 0.00 C ATOM 0 H ILE A 13 47.340 54.012 25.388 1.00 0.00 H new ATOM 0 HA ILE A 13 46.585 56.354 23.790 1.00 0.00 H new ATOM 0 HB ILE A 13 46.720 54.759 21.903 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.886 52.876 23.922 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.348 52.705 23.101 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.187 54.774 21.840 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.527 56.316 22.434 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.222 55.146 23.580 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.046 51.263 22.090 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.515 52.503 20.929 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.077 52.676 21.763 1.00 0.00 H new ATOM 223 N THR A 14 44.240 55.498 23.118 1.00 0.00 N ATOM 224 CA THR A 14 42.843 55.162 22.931 1.00 0.00 C ATOM 225 C THR A 14 42.600 54.652 21.509 1.00 0.00 C ATOM 226 O THR A 14 42.989 55.296 20.538 1.00 0.00 O ATOM 227 CB THR A 14 41.921 56.333 23.257 1.00 0.00 C ATOM 228 OG1 THR A 14 41.975 56.651 24.629 1.00 0.00 O ATOM 229 CG2 THR A 14 40.451 56.037 22.970 1.00 0.00 C ATOM 0 H THR A 14 44.555 56.251 22.506 1.00 0.00 H new ATOM 0 HA THR A 14 42.602 54.364 23.634 1.00 0.00 H new ATOM 0 HB THR A 14 42.275 57.147 22.624 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.991 55.825 25.156 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.848 56.909 23.223 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.326 55.804 21.912 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.127 55.186 23.569 1.00 0.00 H new ATOM 237 N LEU A 15 41.939 53.502 21.398 1.00 0.00 N ATOM 238 CA LEU A 15 41.588 52.842 20.156 1.00 0.00 C ATOM 239 C LEU A 15 40.074 52.841 19.939 1.00 0.00 C ATOM 240 O LEU A 15 39.304 52.732 20.890 1.00 0.00 O ATOM 241 CB LEU A 15 42.126 51.414 20.173 1.00 0.00 C ATOM 242 CG LEU A 15 43.524 51.256 19.581 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.629 52.033 20.292 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.911 49.781 19.628 1.00 0.00 C ATOM 0 H LEU A 15 41.620 52.984 22.217 1.00 0.00 H new ATOM 0 HA LEU A 15 42.038 53.390 19.329 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.139 51.057 21.203 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.438 50.773 19.622 1.00 0.00 H new ATOM 0 HG LEU A 15 43.454 51.660 18.571 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.581 51.852 19.792 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.401 53.099 20.263 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.695 51.704 21.329 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.909 49.653 19.208 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.906 49.436 20.662 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.195 49.198 19.048 1.00 0.00 H new ATOM 256 N GLU A 16 39.668 52.884 18.673 1.00 0.00 N ATOM 257 CA GLU A 16 38.289 52.751 18.247 1.00 0.00 C ATOM 258 C GLU A 16 38.019 51.345 17.706 1.00 0.00 C ATOM 259 O GLU A 16 38.662 50.902 16.758 1.00 0.00 O ATOM 260 CB GLU A 16 37.980 53.863 17.249 1.00 0.00 C ATOM 261 CG GLU A 16 36.553 53.874 16.707 1.00 0.00 C ATOM 262 CD GLU A 16 35.497 53.892 17.813 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.596 54.709 18.755 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.543 53.088 17.732 1.00 0.00 O ATOM 0 H GLU A 16 40.315 53.017 17.895 1.00 0.00 H new ATOM 0 HA GLU A 16 37.611 52.867 19.092 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.177 54.823 17.727 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.670 53.777 16.409 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.419 54.748 16.069 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.401 52.995 16.080 1.00 0.00 H new ATOM 271 N VAL A 17 37.102 50.620 18.341 1.00 0.00 N ATOM 272 CA VAL A 17 36.816 49.213 18.149 1.00 0.00 C ATOM 273 C VAL A 17 35.312 48.932 18.148 1.00 0.00 C ATOM 274 O VAL A 17 34.498 49.819 18.398 1.00 0.00 O ATOM 275 CB VAL A 17 37.518 48.359 19.201 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.038 48.479 19.127 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.082 48.676 20.628 1.00 0.00 C ATOM 0 H VAL A 17 36.500 51.036 19.052 1.00 0.00 H new ATOM 0 HA VAL A 17 37.205 48.941 17.168 1.00 0.00 H new ATOM 0 HB VAL A 17 37.217 47.339 18.963 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.490 47.853 19.896 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.381 48.153 18.145 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.329 49.517 19.287 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.620 48.033 21.324 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.303 49.719 20.853 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.011 48.503 20.728 1.00 0.00 H new ATOM 287 N GLU A 18 34.909 47.697 17.868 1.00 0.00 N ATOM 288 CA GLU A 18 33.552 47.210 18.013 1.00 0.00 C ATOM 289 C GLU A 18 33.518 45.881 18.770 1.00 0.00 C ATOM 290 O GLU A 18 34.518 45.164 18.737 1.00 0.00 O ATOM 291 CB GLU A 18 32.899 47.018 16.647 1.00 0.00 C ATOM 292 CG GLU A 18 32.823 48.299 15.820 1.00 0.00 C ATOM 293 CD GLU A 18 31.874 48.149 14.630 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.930 47.112 13.934 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.058 49.065 14.388 1.00 0.00 O ATOM 0 H GLU A 18 35.549 46.983 17.520 1.00 0.00 H new ATOM 0 HA GLU A 18 32.999 47.958 18.581 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.459 46.268 16.088 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.892 46.626 16.787 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.487 49.121 16.452 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.819 48.560 15.461 1.00 0.00 H new ATOM 302 N PRO A 19 32.406 45.475 19.375 1.00 0.00 N ATOM 303 CA PRO A 19 32.260 44.177 20.002 1.00 0.00 C ATOM 304 C PRO A 19 32.627 42.976 19.129 1.00 0.00 C ATOM 305 O PRO A 19 33.031 41.940 19.654 1.00 0.00 O ATOM 306 CB PRO A 19 30.799 44.089 20.432 1.00 0.00 C ATOM 307 CG PRO A 19 30.417 45.546 20.676 1.00 0.00 C ATOM 308 CD PRO A 19 31.231 46.287 19.618 1.00 0.00 C ATOM 0 HA PRO A 19 32.967 44.116 20.829 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.179 43.634 19.659 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.680 43.486 21.332 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.347 45.710 20.552 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.674 45.869 21.685 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.653 46.420 18.704 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.510 47.282 19.966 1.00 0.00 H new ATOM 316 N SER A 20 32.495 43.093 17.811 1.00 0.00 N ATOM 317 CA SER A 20 32.827 42.065 16.845 1.00 0.00 C ATOM 318 C SER A 20 34.245 42.142 16.276 1.00 0.00 C ATOM 319 O SER A 20 34.625 41.268 15.501 1.00 0.00 O ATOM 320 CB SER A 20 31.814 42.037 15.704 1.00 0.00 C ATOM 321 OG SER A 20 30.501 41.885 16.196 1.00 0.00 O ATOM 0 H SER A 20 32.139 43.943 17.375 1.00 0.00 H new ATOM 0 HA SER A 20 32.784 41.136 17.413 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.885 42.959 15.127 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.049 41.217 15.025 1.00 0.00 H new ATOM 0 HG SER A 20 29.870 41.872 15.446 1.00 0.00 H new ATOM 327 N ASP A 21 35.052 43.138 16.631 1.00 0.00 N ATOM 328 CA ASP A 21 36.448 43.175 16.242 1.00 0.00 C ATOM 329 C ASP A 21 37.278 42.149 17.017 1.00 0.00 C ATOM 330 O ASP A 21 36.970 41.799 18.154 1.00 0.00 O ATOM 331 CB ASP A 21 37.033 44.578 16.367 1.00 0.00 C ATOM 332 CG ASP A 21 36.978 45.350 15.047 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.598 44.873 14.072 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.347 46.427 14.985 1.00 0.00 O ATOM 0 H ASP A 21 34.754 43.935 17.193 1.00 0.00 H new ATOM 0 HA ASP A 21 36.494 42.900 15.188 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.486 45.130 17.131 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.068 44.509 16.702 1.00 0.00 H new ATOM 339 N THR A 22 38.349 41.664 16.393 1.00 0.00 N ATOM 340 CA THR A 22 39.237 40.672 16.964 1.00 0.00 C ATOM 341 C THR A 22 40.386 41.293 17.760 1.00 0.00 C ATOM 342 O THR A 22 40.798 42.426 17.515 1.00 0.00 O ATOM 343 CB THR A 22 39.808 39.741 15.898 1.00 0.00 C ATOM 344 OG1 THR A 22 40.564 40.494 14.976 1.00 0.00 O ATOM 345 CG2 THR A 22 38.728 38.980 15.136 1.00 0.00 C ATOM 0 H THR A 22 38.624 41.960 15.456 1.00 0.00 H new ATOM 0 HA THR A 22 38.621 40.094 17.652 1.00 0.00 H new ATOM 0 HB THR A 22 40.428 39.009 16.415 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.933 39.898 14.291 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.194 38.334 14.392 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.151 38.372 15.833 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.066 39.689 14.638 1.00 0.00 H new ATOM 353 N ILE A 23 40.990 40.515 18.654 1.00 0.00 N ATOM 354 CA ILE A 23 42.221 40.876 19.326 1.00 0.00 C ATOM 355 C ILE A 23 43.355 41.107 18.324 1.00 0.00 C ATOM 356 O ILE A 23 44.192 41.986 18.522 1.00 0.00 O ATOM 357 CB ILE A 23 42.563 39.809 20.361 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.491 39.633 21.433 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.923 40.026 21.019 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.179 40.869 22.271 1.00 0.00 C ATOM 0 H ILE A 23 40.627 39.603 18.932 1.00 0.00 H new ATOM 0 HA ILE A 23 42.085 41.823 19.848 1.00 0.00 H new ATOM 0 HB ILE A 23 42.608 38.886 19.783 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.571 39.304 20.949 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.803 38.832 22.103 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.107 39.234 21.745 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.703 40.008 20.257 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.932 40.991 21.525 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.404 40.629 22.999 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.080 41.192 22.793 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.829 41.671 21.621 1.00 0.00 H new ATOM 372 N GLU A 24 43.373 40.389 17.205 1.00 0.00 N ATOM 373 CA GLU A 24 44.330 40.597 16.138 1.00 0.00 C ATOM 374 C GLU A 24 44.164 41.931 15.408 1.00 0.00 C ATOM 375 O GLU A 24 45.161 42.560 15.058 1.00 0.00 O ATOM 376 CB GLU A 24 44.235 39.398 15.198 1.00 0.00 C ATOM 377 CG GLU A 24 45.340 39.397 14.146 1.00 0.00 C ATOM 378 CD GLU A 24 45.653 37.988 13.636 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.851 37.641 13.556 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.723 37.225 13.299 1.00 0.00 O ATOM 0 H GLU A 24 42.711 39.636 17.017 1.00 0.00 H new ATOM 0 HA GLU A 24 45.330 40.666 16.566 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.290 38.478 15.780 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.264 39.404 14.702 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.042 40.027 13.308 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.243 39.837 14.570 1.00 0.00 H new ATOM 387 N ASN A 25 42.933 42.406 15.246 1.00 0.00 N ATOM 388 CA ASN A 25 42.651 43.747 14.775 1.00 0.00 C ATOM 389 C ASN A 25 43.038 44.813 15.803 1.00 0.00 C ATOM 390 O ASN A 25 43.558 45.857 15.416 1.00 0.00 O ATOM 391 CB ASN A 25 41.181 43.871 14.384 1.00 0.00 C ATOM 392 CG ASN A 25 40.790 43.126 13.106 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.591 42.513 12.405 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.509 43.201 12.754 1.00 0.00 N ATOM 0 H ASN A 25 42.095 41.858 15.442 1.00 0.00 H new ATOM 0 HA ASN A 25 43.266 43.923 13.892 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.569 43.499 15.206 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.941 44.927 14.260 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.188 42.748 11.898 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.848 43.711 13.340 1.00 0.00 H new ATOM 401 N VAL A 26 42.868 44.564 17.098 1.00 0.00 N ATOM 402 CA VAL A 26 43.371 45.445 18.132 1.00 0.00 C ATOM 403 C VAL A 26 44.890 45.597 18.027 1.00 0.00 C ATOM 404 O VAL A 26 45.378 46.724 18.046 1.00 0.00 O ATOM 405 CB VAL A 26 42.936 45.018 19.532 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.551 45.886 20.626 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.422 45.129 19.680 1.00 0.00 C ATOM 0 H VAL A 26 42.377 43.744 17.454 1.00 0.00 H new ATOM 0 HA VAL A 26 42.923 46.425 17.965 1.00 0.00 H new ATOM 0 HB VAL A 26 43.276 43.989 19.647 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.209 45.539 21.601 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.638 45.817 20.577 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.246 46.923 20.482 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.131 44.820 20.684 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.115 46.162 19.514 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.937 44.484 18.947 1.00 0.00 H new ATOM 417 N LYS A 27 45.643 44.525 17.804 1.00 0.00 N ATOM 418 CA LYS A 27 47.075 44.608 17.597 1.00 0.00 C ATOM 419 C LYS A 27 47.459 45.398 16.344 1.00 0.00 C ATOM 420 O LYS A 27 48.428 46.155 16.378 1.00 0.00 O ATOM 421 CB LYS A 27 47.711 43.221 17.598 1.00 0.00 C ATOM 422 CG LYS A 27 47.642 42.546 18.965 1.00 0.00 C ATOM 423 CD LYS A 27 48.285 41.162 18.946 1.00 0.00 C ATOM 424 CE LYS A 27 48.163 40.514 20.323 1.00 0.00 C ATOM 425 NZ LYS A 27 48.672 39.134 20.312 1.00 0.00 N ATOM 0 H LYS A 27 45.272 43.576 17.763 1.00 0.00 H new ATOM 0 HA LYS A 27 47.475 45.170 18.441 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.208 42.594 16.861 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.753 43.303 17.289 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.144 43.170 19.704 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.601 42.459 19.275 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.801 40.537 18.196 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.335 41.243 18.664 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.717 41.102 21.054 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.119 40.516 20.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.193 38.581 21.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.487 38.703 19.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.696 39.140 20.493 1.00 0.00 H new ATOM 439 N ALA A 28 46.684 45.308 15.266 1.00 0.00 N ATOM 440 CA ALA A 28 46.880 46.131 14.090 1.00 0.00 C ATOM 441 C ALA A 28 46.598 47.612 14.345 1.00 0.00 C ATOM 442 O ALA A 28 47.352 48.472 13.894 1.00 0.00 O ATOM 443 CB ALA A 28 46.020 45.584 12.954 1.00 0.00 C ATOM 0 H ALA A 28 45.902 44.658 15.190 1.00 0.00 H new ATOM 0 HA ALA A 28 47.932 46.081 13.811 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.160 46.197 12.064 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.314 44.557 12.737 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.971 45.607 13.248 1.00 0.00 H new ATOM 449 N LYS A 29 45.584 47.934 15.144 1.00 0.00 N ATOM 450 CA LYS A 29 45.270 49.282 15.569 1.00 0.00 C ATOM 451 C LYS A 29 46.322 49.863 16.514 1.00 0.00 C ATOM 452 O LYS A 29 46.562 51.068 16.481 1.00 0.00 O ATOM 453 CB LYS A 29 43.870 49.303 16.177 1.00 0.00 C ATOM 454 CG LYS A 29 42.762 49.102 15.147 1.00 0.00 C ATOM 455 CD LYS A 29 41.426 48.794 15.815 1.00 0.00 C ATOM 456 CE LYS A 29 40.315 48.613 14.784 1.00 0.00 C ATOM 457 NZ LYS A 29 39.705 49.896 14.403 1.00 0.00 N ATOM 0 H LYS A 29 44.942 47.237 15.522 1.00 0.00 H new ATOM 0 HA LYS A 29 45.285 49.932 14.694 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.799 48.522 16.934 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.716 50.255 16.685 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.666 49.999 14.535 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.031 48.286 14.476 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.518 47.889 16.415 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.163 49.603 16.497 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.719 48.126 13.897 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.548 47.953 15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.078 49.753 13.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.153 50.268 15.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.452 50.575 14.152 1.00 0.00 H new ATOM 471 N ILE A 30 47.005 49.033 17.298 1.00 0.00 N ATOM 472 CA ILE A 30 48.178 49.408 18.062 1.00 0.00 C ATOM 473 C ILE A 30 49.378 49.649 17.143 1.00 0.00 C ATOM 474 O ILE A 30 50.104 50.617 17.355 1.00 0.00 O ATOM 475 CB ILE A 30 48.477 48.384 19.153 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.375 48.384 20.209 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.826 48.633 19.821 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.442 47.237 21.214 1.00 0.00 C ATOM 0 H ILE A 30 46.745 48.054 17.419 1.00 0.00 H new ATOM 0 HA ILE A 30 47.970 50.352 18.566 1.00 0.00 H new ATOM 0 HB ILE A 30 48.517 47.409 18.668 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.415 49.327 20.754 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.409 48.349 19.704 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.996 47.880 20.590 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.618 48.574 19.075 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.829 49.624 20.276 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.618 47.325 21.922 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.367 46.286 20.686 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.389 47.280 21.752 1.00 0.00 H new ATOM 490 N GLN A 31 49.582 48.859 16.093 1.00 0.00 N ATOM 491 CA GLN A 31 50.626 49.079 15.114 1.00 0.00 C ATOM 492 C GLN A 31 50.459 50.412 14.382 1.00 0.00 C ATOM 493 O GLN A 31 51.450 51.094 14.128 1.00 0.00 O ATOM 494 CB GLN A 31 50.660 47.880 14.171 1.00 0.00 C ATOM 495 CG GLN A 31 51.704 47.936 13.058 1.00 0.00 C ATOM 496 CD GLN A 31 51.515 46.752 12.108 1.00 0.00 C ATOM 497 OE1 GLN A 31 52.297 45.805 12.081 1.00 0.00 O ATOM 498 NE2 GLN A 31 50.433 46.743 11.335 1.00 0.00 N ATOM 0 H GLN A 31 49.013 48.035 15.901 1.00 0.00 H new ATOM 0 HA GLN A 31 51.590 49.158 15.616 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.836 46.982 14.763 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.676 47.773 13.715 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.613 48.873 12.508 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.706 47.914 13.486 1.00 0.00 H new ATOM 0 HE21 GLN A 31 49.784 47.529 11.357 1.00 0.00 H new ATOM 0 HE22 GLN A 31 50.252 45.950 10.720 1.00 0.00 H new ATOM 507 N ASP A 32 49.230 50.842 14.112 1.00 0.00 N ATOM 508 CA ASP A 32 48.915 52.161 13.603 1.00 0.00 C ATOM 509 C ASP A 32 49.269 53.287 14.577 1.00 0.00 C ATOM 510 O ASP A 32 49.757 54.328 14.143 1.00 0.00 O ATOM 511 CB ASP A 32 47.440 52.188 13.213 1.00 0.00 C ATOM 512 CG ASP A 32 46.852 53.592 13.057 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.272 54.101 14.040 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.924 54.181 11.957 1.00 0.00 O ATOM 0 H ASP A 32 48.404 50.259 14.248 1.00 0.00 H new ATOM 0 HA ASP A 32 49.535 52.349 12.726 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.315 51.649 12.274 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.867 51.650 13.968 1.00 0.00 H new ATOM 519 N LYS A 33 49.061 53.093 15.876 1.00 0.00 N ATOM 520 CA LYS A 33 49.217 54.106 16.901 1.00 0.00 C ATOM 521 C LYS A 33 50.621 54.210 17.498 1.00 0.00 C ATOM 522 O LYS A 33 51.027 55.299 17.896 1.00 0.00 O ATOM 523 CB LYS A 33 48.151 53.845 17.961 1.00 0.00 C ATOM 524 CG LYS A 33 47.952 54.957 18.988 1.00 0.00 C ATOM 525 CD LYS A 33 47.359 56.252 18.439 1.00 0.00 C ATOM 526 CE LYS A 33 45.876 56.101 18.112 1.00 0.00 C ATOM 527 NZ LYS A 33 45.397 57.221 17.286 1.00 0.00 N ATOM 0 H LYS A 33 48.769 52.191 16.252 1.00 0.00 H new ATOM 0 HA LYS A 33 49.081 55.084 16.440 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.201 53.666 17.458 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.409 52.928 18.491 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.302 54.586 19.780 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.915 55.183 19.446 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.491 57.051 19.169 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.901 56.548 17.541 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.711 55.161 17.586 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.300 56.055 19.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.386 57.092 17.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.534 58.115 17.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.932 57.249 16.395 1.00 0.00 H new ATOM 541 N GLU A 34 51.360 53.106 17.574 1.00 0.00 N ATOM 542 CA GLU A 34 52.648 52.977 18.225 1.00 0.00 C ATOM 543 C GLU A 34 53.789 52.536 17.307 1.00 0.00 C ATOM 544 O GLU A 34 54.951 52.646 17.688 1.00 0.00 O ATOM 545 CB GLU A 34 52.548 51.982 19.377 1.00 0.00 C ATOM 546 CG GLU A 34 51.756 52.467 20.589 1.00 0.00 C ATOM 547 CD GLU A 34 52.558 53.481 21.406 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.372 53.091 22.271 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.437 54.700 21.159 1.00 0.00 O ATOM 0 H GLU A 34 51.051 52.228 17.156 1.00 0.00 H new ATOM 0 HA GLU A 34 52.894 53.981 18.572 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.088 51.066 19.006 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.556 51.724 19.702 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.822 52.921 20.258 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.492 51.617 21.218 1.00 0.00 H new ATOM 556 N GLY A 35 53.502 52.003 16.123 1.00 0.00 N ATOM 557 CA GLY A 35 54.512 51.487 15.220 1.00 0.00 C ATOM 558 C GLY A 35 55.127 50.143 15.620 1.00 0.00 C ATOM 559 O GLY A 35 56.151 49.760 15.059 1.00 0.00 O ATOM 0 H GLY A 35 52.551 51.919 15.765 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.070 51.384 14.229 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.312 52.223 15.138 1.00 0.00 H new ATOM 563 N ILE A 36 54.545 49.426 16.576 1.00 0.00 N ATOM 564 CA ILE A 36 55.020 48.147 17.065 1.00 0.00 C ATOM 565 C ILE A 36 54.275 47.030 16.332 1.00 0.00 C ATOM 566 O ILE A 36 53.047 47.020 16.379 1.00 0.00 O ATOM 567 CB ILE A 36 54.827 48.051 18.576 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.615 49.134 19.309 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.232 46.674 19.094 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.189 49.329 20.762 1.00 0.00 C ATOM 0 H ILE A 36 53.695 49.737 17.047 1.00 0.00 H new ATOM 0 HA ILE A 36 56.087 48.046 16.868 1.00 0.00 H new ATOM 0 HB ILE A 36 53.766 48.203 18.775 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.675 48.881 19.282 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.499 50.078 18.776 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.084 46.633 20.173 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.619 45.910 18.615 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.282 46.493 18.864 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.794 50.114 21.216 1.00 0.00 H new ATOM 0 HD12 ILE A 36 54.138 49.614 20.798 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.331 48.398 21.311 1.00 0.00 H new ATOM 582 N PRO A 37 54.936 46.074 15.684 1.00 0.00 N ATOM 583 CA PRO A 37 54.263 45.042 14.922 1.00 0.00 C ATOM 584 C PRO A 37 53.639 43.963 15.810 1.00 0.00 C ATOM 585 O PRO A 37 54.179 43.688 16.880 1.00 0.00 O ATOM 586 CB PRO A 37 55.331 44.495 13.978 1.00 0.00 C ATOM 587 CG PRO A 37 56.609 44.625 14.801 1.00 0.00 C ATOM 588 CD PRO A 37 56.372 45.924 15.567 1.00 0.00 C ATOM 0 HA PRO A 37 53.410 45.438 14.371 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.133 43.460 13.700 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.386 45.069 13.053 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.749 43.777 15.472 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.496 44.681 14.169 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.840 45.886 16.551 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.809 46.771 15.039 1.00 0.00 H new ATOM 596 N PRO A 38 52.536 43.330 15.421 1.00 0.00 N ATOM 597 CA PRO A 38 51.827 42.365 16.238 1.00 0.00 C ATOM 598 C PRO A 38 52.647 41.211 16.822 1.00 0.00 C ATOM 599 O PRO A 38 52.344 40.768 17.927 1.00 0.00 O ATOM 600 CB PRO A 38 50.712 41.816 15.354 1.00 0.00 C ATOM 601 CG PRO A 38 50.359 43.018 14.483 1.00 0.00 C ATOM 602 CD PRO A 38 51.720 43.679 14.276 1.00 0.00 C ATOM 0 HA PRO A 38 51.483 42.889 17.130 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.047 40.967 14.758 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.859 41.476 15.941 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.905 42.717 13.539 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.653 43.686 14.977 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.182 43.331 13.352 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.615 44.761 14.192 1.00 0.00 H new ATOM 610 N ASP A 39 53.708 40.752 16.166 1.00 0.00 N ATOM 611 CA ASP A 39 54.566 39.698 16.668 1.00 0.00 C ATOM 612 C ASP A 39 55.361 40.082 17.917 1.00 0.00 C ATOM 613 O ASP A 39 55.870 39.208 18.615 1.00 0.00 O ATOM 614 CB ASP A 39 55.460 39.167 15.551 1.00 0.00 C ATOM 615 CG ASP A 39 56.382 40.212 14.921 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.860 41.105 14.218 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.620 40.094 15.049 1.00 0.00 O ATOM 0 H ASP A 39 53.996 41.112 15.256 1.00 0.00 H new ATOM 0 HA ASP A 39 53.911 38.893 17.002 1.00 0.00 H new ATOM 0 HB2 ASP A 39 56.070 38.355 15.947 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.829 38.741 14.771 1.00 0.00 H new ATOM 622 N GLN A 40 55.422 41.370 18.244 1.00 0.00 N ATOM 623 CA GLN A 40 55.989 41.914 19.460 1.00 0.00 C ATOM 624 C GLN A 40 54.945 42.229 20.534 1.00 0.00 C ATOM 625 O GLN A 40 55.319 42.624 21.637 1.00 0.00 O ATOM 626 CB GLN A 40 56.840 43.136 19.125 1.00 0.00 C ATOM 627 CG GLN A 40 58.008 42.793 18.206 1.00 0.00 C ATOM 628 CD GLN A 40 58.969 43.953 17.939 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.833 45.075 18.420 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.001 43.719 17.134 1.00 0.00 N ATOM 0 H GLN A 40 55.055 42.096 17.629 1.00 0.00 H new ATOM 0 HA GLN A 40 56.621 41.142 19.898 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.215 43.892 18.649 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.222 43.574 20.047 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.568 41.968 18.645 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.613 42.439 17.254 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.130 42.793 16.726 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.664 44.465 16.925 1.00 0.00 H new ATOM 639 N GLN A 41 53.652 42.058 20.274 1.00 0.00 N ATOM 640 CA GLN A 41 52.583 42.485 21.153 1.00 0.00 C ATOM 641 C GLN A 41 51.907 41.337 21.903 1.00 0.00 C ATOM 642 O GLN A 41 51.270 40.479 21.294 1.00 0.00 O ATOM 643 CB GLN A 41 51.525 43.254 20.366 1.00 0.00 C ATOM 644 CG GLN A 41 51.985 44.515 19.640 1.00 0.00 C ATOM 645 CD GLN A 41 50.790 45.209 18.983 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.677 45.197 19.504 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.925 45.814 17.807 1.00 0.00 N ATOM 0 H GLN A 41 53.317 41.607 19.423 1.00 0.00 H new ATOM 0 HA GLN A 41 53.052 43.125 21.900 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.092 42.577 19.629 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.726 43.531 21.053 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.468 45.193 20.343 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.727 44.259 18.884 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.836 45.841 17.349 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.118 46.251 17.363 1.00 0.00 H new ATOM 656 N ARG A 42 51.955 41.373 23.231 1.00 0.00 N ATOM 657 CA ARG A 42 51.166 40.561 24.135 1.00 0.00 C ATOM 658 C ARG A 42 50.110 41.450 24.794 1.00 0.00 C ATOM 659 O ARG A 42 50.468 42.497 25.329 1.00 0.00 O ATOM 660 CB ARG A 42 52.113 39.904 25.136 1.00 0.00 C ATOM 661 CG ARG A 42 51.423 39.081 26.221 1.00 0.00 C ATOM 662 CD ARG A 42 52.449 38.391 27.115 1.00 0.00 C ATOM 663 NE ARG A 42 51.848 37.258 27.819 1.00 0.00 N ATOM 664 CZ ARG A 42 52.155 36.766 29.027 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.100 37.258 29.839 1.00 0.00 N ATOM 666 NH2 ARG A 42 51.496 35.701 29.503 1.00 0.00 N ATOM 0 H ARG A 42 52.582 42.006 23.727 1.00 0.00 H new ATOM 0 HA ARG A 42 50.634 39.764 23.616 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.803 39.258 24.593 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.711 40.680 25.613 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.786 39.728 26.824 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.775 38.335 25.761 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.289 38.046 26.512 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.846 39.104 27.837 1.00 0.00 H new ATOM 0 HE ARG A 42 51.095 36.779 27.325 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.649 38.068 29.551 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.271 36.823 30.745 1.00 0.00 H new ATOM 0 HH21 ARG A 42 50.761 35.265 28.946 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.729 35.326 30.422 1.00 0.00 H new ATOM 680 N LEU A 43 48.834 41.079 24.747 1.00 0.00 N ATOM 681 CA LEU A 43 47.750 41.877 25.283 1.00 0.00 C ATOM 682 C LEU A 43 47.094 41.218 26.498 1.00 0.00 C ATOM 683 O LEU A 43 46.610 40.090 26.425 1.00 0.00 O ATOM 684 CB LEU A 43 46.726 42.205 24.200 1.00 0.00 C ATOM 685 CG LEU A 43 47.246 43.061 23.048 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.109 43.368 22.078 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.828 44.398 23.497 1.00 0.00 C ATOM 0 H LEU A 43 48.526 40.202 24.328 1.00 0.00 H new ATOM 0 HA LEU A 43 48.180 42.815 25.632 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.342 41.270 23.792 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.885 42.721 24.663 1.00 0.00 H new ATOM 0 HG LEU A 43 48.040 42.478 22.582 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.486 43.979 21.258 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.708 42.436 21.681 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.320 43.909 22.601 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.178 44.953 22.627 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.059 44.975 24.011 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.663 44.222 24.175 1.00 0.00 H new ATOM 699 N ILE A 44 47.059 41.962 27.600 1.00 0.00 N ATOM 700 CA ILE A 44 46.543 41.554 28.892 1.00 0.00 C ATOM 701 C ILE A 44 45.307 42.380 29.249 1.00 0.00 C ATOM 702 O ILE A 44 45.283 43.592 29.051 1.00 0.00 O ATOM 703 CB ILE A 44 47.628 41.667 29.960 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.953 40.995 29.610 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.129 41.151 31.307 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.897 39.499 29.315 1.00 0.00 C ATOM 0 H ILE A 44 47.411 42.919 27.610 1.00 0.00 H new ATOM 0 HA ILE A 44 46.241 40.508 28.843 1.00 0.00 H new ATOM 0 HB ILE A 44 47.840 42.735 30.018 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.373 41.500 28.740 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.646 41.155 30.436 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.922 41.244 32.049 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.266 41.737 31.624 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.842 40.104 31.212 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.898 39.137 29.080 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.515 38.970 30.188 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.238 39.320 28.466 1.00 0.00 H new ATOM 718 N PHE A 45 44.281 41.743 29.808 1.00 0.00 N ATOM 719 CA PHE A 45 43.091 42.376 30.339 1.00 0.00 C ATOM 720 C PHE A 45 42.749 41.781 31.707 1.00 0.00 C ATOM 721 O PHE A 45 42.457 40.592 31.817 1.00 0.00 O ATOM 722 CB PHE A 45 41.954 42.198 29.336 1.00 0.00 C ATOM 723 CG PHE A 45 40.592 42.719 29.727 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.442 43.990 30.293 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.453 41.946 29.474 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.167 44.474 30.611 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.174 42.427 29.780 1.00 0.00 C ATOM 728 CZ PHE A 45 38.032 43.697 30.352 1.00 0.00 C ATOM 0 H PHE A 45 44.262 40.728 29.904 1.00 0.00 H new ATOM 0 HA PHE A 45 43.257 43.443 30.486 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.246 42.686 28.406 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.858 41.134 29.121 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.312 44.600 30.485 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.562 40.965 29.037 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.059 45.451 31.058 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.303 41.822 29.576 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.050 44.076 30.593 1.00 0.00 H new ATOM 738 N ALA A 46 42.818 42.601 32.753 1.00 0.00 N ATOM 739 CA ALA A 46 42.681 42.204 34.139 1.00 0.00 C ATOM 740 C ALA A 46 43.510 40.972 34.505 1.00 0.00 C ATOM 741 O ALA A 46 43.004 39.981 35.029 1.00 0.00 O ATOM 742 CB ALA A 46 41.197 42.113 34.486 1.00 0.00 C ATOM 0 H ALA A 46 42.978 43.603 32.646 1.00 0.00 H new ATOM 0 HA ALA A 46 43.117 42.973 34.777 1.00 0.00 H new ATOM 0 HB1 ALA A 46 41.085 41.814 35.528 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.728 43.085 34.334 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.718 41.374 33.843 1.00 0.00 H new ATOM 748 N GLY A 47 44.794 40.993 34.158 1.00 0.00 N ATOM 749 CA GLY A 47 45.751 39.937 34.424 1.00 0.00 C ATOM 750 C GLY A 47 45.640 38.666 33.579 1.00 0.00 C ATOM 751 O GLY A 47 46.357 37.708 33.855 1.00 0.00 O ATOM 0 H GLY A 47 45.208 41.783 33.663 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.752 40.346 34.289 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.660 39.655 35.473 1.00 0.00 H new ATOM 755 N LYS A 48 44.769 38.632 32.575 1.00 0.00 N ATOM 756 CA LYS A 48 44.518 37.513 31.689 1.00 0.00 C ATOM 757 C LYS A 48 44.980 37.829 30.266 1.00 0.00 C ATOM 758 O LYS A 48 44.651 38.901 29.762 1.00 0.00 O ATOM 759 CB LYS A 48 43.018 37.237 31.758 1.00 0.00 C ATOM 760 CG LYS A 48 42.527 35.996 31.018 1.00 0.00 C ATOM 761 CD LYS A 48 41.010 35.939 31.183 1.00 0.00 C ATOM 762 CE LYS A 48 40.359 34.808 30.394 1.00 0.00 C ATOM 763 NZ LYS A 48 38.894 34.902 30.488 1.00 0.00 N ATOM 0 H LYS A 48 44.186 39.438 32.349 1.00 0.00 H new ATOM 0 HA LYS A 48 45.080 36.629 31.992 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.734 37.145 32.806 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.491 38.104 31.360 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.797 36.046 29.963 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.992 35.098 31.424 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.771 35.820 32.240 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.581 36.889 30.864 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.668 34.858 29.350 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.695 33.845 30.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.461 34.127 29.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.605 34.832 31.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.579 35.814 30.099 1.00 0.00 H new ATOM 777 N GLN A 49 45.707 36.938 29.597 1.00 0.00 N ATOM 778 CA GLN A 49 46.083 37.122 28.209 1.00 0.00 C ATOM 779 C GLN A 49 44.879 36.928 27.284 1.00 0.00 C ATOM 780 O GLN A 49 44.231 35.885 27.324 1.00 0.00 O ATOM 781 CB GLN A 49 47.243 36.214 27.811 1.00 0.00 C ATOM 782 CG GLN A 49 47.622 36.406 26.345 1.00 0.00 C ATOM 783 CD GLN A 49 48.825 35.570 25.905 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.974 35.922 26.169 1.00 0.00 O ATOM 785 NE2 GLN A 49 48.623 34.480 25.171 1.00 0.00 N ATOM 0 H GLN A 49 46.049 36.069 30.007 1.00 0.00 H new ATOM 0 HA GLN A 49 46.429 38.150 28.097 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.106 36.426 28.442 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.969 35.173 27.984 1.00 0.00 H new ATOM 0 HG2 GLN A 49 46.766 36.150 25.721 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.840 37.460 26.170 1.00 0.00 H new ATOM 0 HE21 GLN A 49 47.673 34.183 24.949 1.00 0.00 H new ATOM 0 HE22 GLN A 49 49.418 33.940 24.830 1.00 0.00 H new ATOM 794 N LEU A 50 44.643 37.885 26.392 1.00 0.00 N ATOM 795 CA LEU A 50 43.637 37.778 25.353 1.00 0.00 C ATOM 796 C LEU A 50 44.231 37.211 24.062 1.00 0.00 C ATOM 797 O LEU A 50 45.356 37.533 23.687 1.00 0.00 O ATOM 798 CB LEU A 50 42.939 39.118 25.140 1.00 0.00 C ATOM 799 CG LEU A 50 42.340 39.780 26.377 1.00 0.00 C ATOM 800 CD1 LEU A 50 41.458 40.943 25.930 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.499 38.834 27.228 1.00 0.00 C ATOM 0 H LEU A 50 45.155 38.767 26.374 1.00 0.00 H new ATOM 0 HA LEU A 50 42.876 37.069 25.678 1.00 0.00 H new ATOM 0 HB2 LEU A 50 43.656 39.809 24.697 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.142 38.975 24.410 1.00 0.00 H new ATOM 0 HG LEU A 50 43.174 40.111 26.995 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.022 41.426 26.804 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.060 41.665 25.378 1.00 0.00 H new ATOM 0 HD13 LEU A 50 40.661 40.569 25.287 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.105 39.373 28.090 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.672 38.447 26.633 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.118 38.005 27.570 1.00 0.00 H new ATOM 813 N GLU A 51 43.469 36.357 23.385 1.00 0.00 N ATOM 814 CA GLU A 51 43.913 35.545 22.270 1.00 0.00 C ATOM 815 C GLU A 51 43.530 36.133 20.911 1.00 0.00 C ATOM 816 O GLU A 51 42.380 36.507 20.692 1.00 0.00 O ATOM 817 CB GLU A 51 43.341 34.137 22.416 1.00 0.00 C ATOM 818 CG GLU A 51 43.903 33.327 23.581 1.00 0.00 C ATOM 819 CD GLU A 51 45.400 33.042 23.445 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.841 32.597 22.364 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.142 33.254 24.429 1.00 0.00 O ATOM 0 H GLU A 51 42.486 36.210 23.612 1.00 0.00 H new ATOM 0 HA GLU A 51 45.002 35.519 22.297 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.260 34.211 22.534 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.524 33.590 21.491 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.725 33.867 24.511 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.364 32.382 23.653 1.00 0.00 H new ATOM 828 N ASP A 52 44.469 36.149 19.969 1.00 0.00 N ATOM 829 CA ASP A 52 44.349 36.765 18.663 1.00 0.00 C ATOM 830 C ASP A 52 43.114 36.360 17.856 1.00 0.00 C ATOM 831 O ASP A 52 42.604 37.168 17.083 1.00 0.00 O ATOM 832 CB ASP A 52 45.600 36.443 17.850 1.00 0.00 C ATOM 833 CG ASP A 52 46.877 37.003 18.481 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.350 38.088 18.080 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.430 36.362 19.401 1.00 0.00 O ATOM 0 H ASP A 52 45.378 35.709 20.109 1.00 0.00 H new ATOM 0 HA ASP A 52 44.236 37.833 18.851 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.694 35.362 17.749 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.489 36.849 16.844 1.00 0.00 H new ATOM 840 N GLY A 53 42.611 35.141 18.026 1.00 0.00 N ATOM 841 CA GLY A 53 41.454 34.627 17.322 1.00 0.00 C ATOM 842 C GLY A 53 40.092 34.961 17.934 1.00 0.00 C ATOM 843 O GLY A 53 39.085 34.621 17.318 1.00 0.00 O ATOM 0 H GLY A 53 43.014 34.468 18.678 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.475 35.010 16.302 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.545 33.543 17.258 1.00 0.00 H new ATOM 847 N ARG A 54 40.015 35.580 19.109 1.00 0.00 N ATOM 848 CA ARG A 54 38.765 35.905 19.766 1.00 0.00 C ATOM 849 C ARG A 54 38.275 37.313 19.423 1.00 0.00 C ATOM 850 O ARG A 54 39.066 38.195 19.098 1.00 0.00 O ATOM 851 CB ARG A 54 38.879 35.694 21.273 1.00 0.00 C ATOM 852 CG ARG A 54 38.491 34.294 21.739 1.00 0.00 C ATOM 853 CD ARG A 54 39.387 33.174 21.215 1.00 0.00 C ATOM 854 NE ARG A 54 38.974 31.886 21.770 1.00 0.00 N ATOM 855 CZ ARG A 54 39.663 30.736 21.791 1.00 0.00 C ATOM 856 NH1 ARG A 54 40.904 30.621 21.301 1.00 0.00 N ATOM 857 NH2 ARG A 54 39.092 29.644 22.319 1.00 0.00 N ATOM 0 H ARG A 54 40.838 35.873 19.636 1.00 0.00 H new ATOM 0 HA ARG A 54 38.007 35.220 19.385 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.905 35.896 21.580 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.245 36.422 21.780 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.505 34.272 22.829 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.465 34.094 21.430 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.338 33.140 20.127 1.00 0.00 H new ATOM 0 HD3 ARG A 54 40.425 33.376 21.481 1.00 0.00 H new ATOM 0 HE ARG A 54 38.047 31.859 22.194 1.00 0.00 H new ATOM 0 HH11 ARG A 54 41.366 31.431 20.888 1.00 0.00 H new ATOM 0 HH12 ARG A 54 41.387 29.723 21.341 1.00 0.00 H new ATOM 0 HH21 ARG A 54 38.146 29.695 22.697 1.00 0.00 H new ATOM 0 HH22 ARG A 54 39.603 28.762 22.342 1.00 0.00 H new ATOM 871 N THR A 55 36.966 37.518 19.548 1.00 0.00 N ATOM 872 CA THR A 55 36.318 38.809 19.444 1.00 0.00 C ATOM 873 C THR A 55 36.203 39.485 20.812 1.00 0.00 C ATOM 874 O THR A 55 36.239 38.802 21.835 1.00 0.00 O ATOM 875 CB THR A 55 34.946 38.740 18.779 1.00 0.00 C ATOM 876 OG1 THR A 55 34.003 37.998 19.520 1.00 0.00 O ATOM 877 CG2 THR A 55 35.002 38.136 17.379 1.00 0.00 C ATOM 0 H THR A 55 36.310 36.758 19.731 1.00 0.00 H new ATOM 0 HA THR A 55 36.959 39.411 18.799 1.00 0.00 H new ATOM 0 HB THR A 55 34.629 39.782 18.727 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.342 37.090 19.664 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.999 38.111 16.953 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.650 38.743 16.747 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.397 37.122 17.436 1.00 0.00 H new ATOM 885 N LEU A 56 36.016 40.800 20.868 1.00 0.00 N ATOM 886 CA LEU A 56 35.806 41.496 22.121 1.00 0.00 C ATOM 887 C LEU A 56 34.575 40.991 22.878 1.00 0.00 C ATOM 888 O LEU A 56 34.601 40.885 24.102 1.00 0.00 O ATOM 889 CB LEU A 56 35.743 43.005 21.911 1.00 0.00 C ATOM 890 CG LEU A 56 36.919 43.656 21.189 1.00 0.00 C ATOM 891 CD1 LEU A 56 36.866 45.170 21.365 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.288 43.179 21.670 1.00 0.00 C ATOM 0 H LEU A 56 36.007 41.406 20.047 1.00 0.00 H new ATOM 0 HA LEU A 56 36.670 41.275 22.748 1.00 0.00 H new ATOM 0 HB2 LEU A 56 34.835 43.231 21.351 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.642 43.478 22.888 1.00 0.00 H new ATOM 0 HG LEU A 56 36.814 43.363 20.144 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.709 45.626 20.846 1.00 0.00 H new ATOM 0 HD12 LEU A 56 35.934 45.552 20.949 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.917 45.415 22.426 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.070 43.689 21.107 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.399 43.403 22.731 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.373 42.103 21.516 1.00 0.00 H new ATOM 904 N SER A 57 33.545 40.572 22.148 1.00 0.00 N ATOM 905 CA SER A 57 32.354 39.928 22.665 1.00 0.00 C ATOM 906 C SER A 57 32.631 38.633 23.431 1.00 0.00 C ATOM 907 O SER A 57 31.895 38.326 24.367 1.00 0.00 O ATOM 908 CB SER A 57 31.387 39.597 21.532 1.00 0.00 C ATOM 909 OG SER A 57 30.910 40.761 20.894 1.00 0.00 O ATOM 0 H SER A 57 33.523 40.680 21.134 1.00 0.00 H new ATOM 0 HA SER A 57 31.925 40.648 23.361 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.887 38.961 20.802 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.545 39.028 21.927 1.00 0.00 H new ATOM 0 HG SER A 57 31.648 41.203 20.425 1.00 0.00 H new ATOM 915 N ASP A 58 33.690 37.900 23.104 1.00 0.00 N ATOM 916 CA ASP A 58 34.092 36.701 23.812 1.00 0.00 C ATOM 917 C ASP A 58 34.712 36.991 25.181 1.00 0.00 C ATOM 918 O ASP A 58 34.867 36.074 25.985 1.00 0.00 O ATOM 919 CB ASP A 58 35.042 35.866 22.959 1.00 0.00 C ATOM 920 CG ASP A 58 34.419 35.392 21.644 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.429 34.630 21.692 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.924 35.761 20.562 1.00 0.00 O ATOM 0 H ASP A 58 34.302 38.132 22.322 1.00 0.00 H new ATOM 0 HA ASP A 58 33.181 36.131 23.998 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.933 36.454 22.739 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.366 34.998 23.533 1.00 0.00 H new ATOM 927 N TYR A 59 35.034 38.249 25.470 1.00 0.00 N ATOM 928 CA TYR A 59 35.592 38.715 26.723 1.00 0.00 C ATOM 929 C TYR A 59 34.721 39.751 27.436 1.00 0.00 C ATOM 930 O TYR A 59 35.145 40.311 28.445 1.00 0.00 O ATOM 931 CB TYR A 59 37.007 39.231 26.483 1.00 0.00 C ATOM 932 CG TYR A 59 37.955 38.218 25.887 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.252 37.046 26.591 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.558 38.463 24.647 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.156 36.116 26.067 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.484 37.552 24.124 1.00 0.00 C ATOM 937 CZ TYR A 59 39.787 36.373 24.833 1.00 0.00 C ATOM 938 OH TYR A 59 40.704 35.499 24.327 1.00 0.00 O ATOM 0 H TYR A 59 34.904 39.005 24.798 1.00 0.00 H new ATOM 0 HA TYR A 59 35.625 37.865 27.404 1.00 0.00 H new ATOM 0 HB2 TYR A 59 36.957 40.095 25.821 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.418 39.579 27.431 1.00 0.00 H new ATOM 0 HD1 TYR A 59 37.781 36.858 27.544 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.308 39.356 24.093 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.370 35.205 26.606 1.00 0.00 H new ATOM 0 HE2 TYR A 59 39.965 37.753 23.178 1.00 0.00 H new ATOM 0 HH TYR A 59 40.251 34.676 24.046 1.00 0.00 H new ATOM 948 N ASN A 60 33.508 40.004 26.955 1.00 0.00 N ATOM 949 CA ASN A 60 32.512 40.843 27.589 1.00 0.00 C ATOM 950 C ASN A 60 32.962 42.281 27.857 1.00 0.00 C ATOM 951 O ASN A 60 32.602 42.891 28.863 1.00 0.00 O ATOM 952 CB ASN A 60 31.920 40.116 28.793 1.00 0.00 C ATOM 953 CG ASN A 60 31.394 38.724 28.439 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.987 37.706 28.785 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.281 38.647 27.714 1.00 0.00 N ATOM 0 H ASN A 60 33.184 39.609 26.072 1.00 0.00 H new ATOM 0 HA ASN A 60 31.705 41.001 26.874 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.680 40.027 29.569 1.00 0.00 H new ATOM 0 HB3 ASN A 60 31.108 40.712 29.210 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.913 37.736 27.440 1.00 0.00 H new ATOM 0 HD22 ASN A 60 29.796 39.499 27.432 1.00 0.00 H new ATOM 962 N ILE A 61 33.775 42.835 26.962 1.00 0.00 N ATOM 963 CA ILE A 61 34.357 44.157 27.074 1.00 0.00 C ATOM 964 C ILE A 61 33.320 45.234 26.750 1.00 0.00 C ATOM 965 O ILE A 61 32.640 45.149 25.731 1.00 0.00 O ATOM 966 CB ILE A 61 35.589 44.253 26.180 1.00 0.00 C ATOM 967 CG1 ILE A 61 36.697 43.320 26.662 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.131 45.677 26.095 1.00 0.00 C ATOM 969 CD1 ILE A 61 37.762 43.011 25.614 1.00 0.00 C ATOM 0 H ILE A 61 34.053 42.352 26.108 1.00 0.00 H new ATOM 0 HA ILE A 61 34.676 44.328 28.102 1.00 0.00 H new ATOM 0 HB ILE A 61 35.267 43.948 25.184 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.179 43.767 27.531 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.248 42.384 26.993 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.008 45.695 25.448 1.00 0.00 H new ATOM 0 HG22 ILE A 61 35.364 46.334 25.685 1.00 0.00 H new ATOM 0 HG23 ILE A 61 36.409 46.021 27.091 1.00 0.00 H new ATOM 0 HD11 ILE A 61 38.509 42.342 26.041 1.00 0.00 H new ATOM 0 HD12 ILE A 61 37.297 42.532 24.752 1.00 0.00 H new ATOM 0 HD13 ILE A 61 38.242 43.937 25.299 1.00 0.00 H new ATOM 981 N GLN A 62 33.226 46.260 27.592 1.00 0.00 N ATOM 982 CA GLN A 62 32.477 47.476 27.343 1.00 0.00 C ATOM 983 C GLN A 62 33.391 48.685 27.134 1.00 0.00 C ATOM 984 O GLN A 62 34.594 48.603 27.371 1.00 0.00 O ATOM 985 CB GLN A 62 31.439 47.679 28.444 1.00 0.00 C ATOM 986 CG GLN A 62 32.022 48.132 29.778 1.00 0.00 C ATOM 987 CD GLN A 62 30.971 48.330 30.873 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.889 47.748 30.873 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.263 49.161 31.869 1.00 0.00 N ATOM 0 H GLN A 62 33.690 46.261 28.500 1.00 0.00 H new ATOM 0 HA GLN A 62 31.937 47.371 26.402 1.00 0.00 H new ATOM 0 HB2 GLN A 62 30.711 48.418 28.109 1.00 0.00 H new ATOM 0 HB3 GLN A 62 30.899 46.744 28.595 1.00 0.00 H new ATOM 0 HG2 GLN A 62 32.751 47.395 30.115 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.561 49.068 29.630 1.00 0.00 H new ATOM 0 HE21 GLN A 62 32.158 49.650 31.880 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.592 49.310 32.622 1.00 0.00 H new ATOM 998 N LYS A 63 32.835 49.817 26.712 1.00 0.00 N ATOM 999 CA LYS A 63 33.570 51.045 26.489 1.00 0.00 C ATOM 1000 C LYS A 63 34.424 51.483 27.681 1.00 0.00 C ATOM 1001 O LYS A 63 34.079 51.258 28.838 1.00 0.00 O ATOM 1002 CB LYS A 63 32.647 52.173 26.037 1.00 0.00 C ATOM 1003 CG LYS A 63 31.701 52.685 27.118 1.00 0.00 C ATOM 1004 CD LYS A 63 30.797 53.819 26.642 1.00 0.00 C ATOM 1005 CE LYS A 63 31.565 55.122 26.432 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.648 56.229 26.120 1.00 0.00 N ATOM 0 H LYS A 63 31.838 49.901 26.513 1.00 0.00 H new ATOM 0 HA LYS A 63 34.270 50.821 25.685 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.256 53.004 25.681 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.056 51.825 25.190 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.082 51.860 27.470 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.287 53.030 27.970 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.315 53.529 25.708 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.005 53.980 27.373 1.00 0.00 H new ATOM 0 HE2 LYS A 63 32.137 55.360 27.329 1.00 0.00 H new ATOM 0 HE3 LYS A 63 32.282 54.999 25.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.194 57.103 25.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.121 56.009 25.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.980 56.359 26.907 1.00 0.00 H new ATOM 1020 N GLU A 64 35.532 52.158 27.385 1.00 0.00 N ATOM 1021 CA GLU A 64 36.443 52.773 28.328 1.00 0.00 C ATOM 1022 C GLU A 64 37.081 51.803 29.325 1.00 0.00 C ATOM 1023 O GLU A 64 37.523 52.194 30.403 1.00 0.00 O ATOM 1024 CB GLU A 64 35.830 54.030 28.940 1.00 0.00 C ATOM 1025 CG GLU A 64 35.308 54.996 27.879 1.00 0.00 C ATOM 1026 CD GLU A 64 34.928 56.352 28.476 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.650 57.338 28.212 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.895 56.455 29.171 1.00 0.00 O ATOM 0 H GLU A 64 35.830 52.295 26.419 1.00 0.00 H new ATOM 0 HA GLU A 64 37.312 53.106 27.760 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.013 53.747 29.604 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.577 54.535 29.552 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.069 55.138 27.112 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.438 54.560 27.388 1.00 0.00 H new ATOM 1035 N SER A 65 37.161 50.531 28.946 1.00 0.00 N ATOM 1036 CA SER A 65 38.011 49.519 29.542 1.00 0.00 C ATOM 1037 C SER A 65 39.483 49.750 29.196 1.00 0.00 C ATOM 1038 O SER A 65 39.772 50.343 28.159 1.00 0.00 O ATOM 1039 CB SER A 65 37.623 48.131 29.043 1.00 0.00 C ATOM 1040 OG SER A 65 36.266 47.842 29.295 1.00 0.00 O ATOM 0 H SER A 65 36.604 50.165 28.174 1.00 0.00 H new ATOM 0 HA SER A 65 37.875 49.587 30.621 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.816 48.063 27.972 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.250 47.383 29.528 1.00 0.00 H new ATOM 0 HG SER A 65 35.703 48.341 28.667 1.00 0.00 H new ATOM 1046 N THR A 66 40.409 49.243 30.004 1.00 0.00 N ATOM 1047 CA THR A 66 41.839 49.323 29.784 1.00 0.00 C ATOM 1048 C THR A 66 42.462 47.940 29.581 1.00 0.00 C ATOM 1049 O THR A 66 42.386 47.070 30.445 1.00 0.00 O ATOM 1050 CB THR A 66 42.554 50.062 30.911 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.139 51.407 30.995 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.063 50.149 30.700 1.00 0.00 C ATOM 0 H THR A 66 40.169 48.747 30.862 1.00 0.00 H new ATOM 0 HA THR A 66 41.973 49.897 28.867 1.00 0.00 H new ATOM 0 HB THR A 66 42.307 49.487 31.804 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.615 51.851 31.728 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.517 50.685 31.534 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.481 49.144 30.645 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.270 50.680 29.771 1.00 0.00 H new ATOM 1060 N LEU A 67 43.165 47.770 28.464 1.00 0.00 N ATOM 1061 CA LEU A 67 44.099 46.691 28.213 1.00 0.00 C ATOM 1062 C LEU A 67 45.518 47.138 28.571 1.00 0.00 C ATOM 1063 O LEU A 67 45.838 48.323 28.542 1.00 0.00 O ATOM 1064 CB LEU A 67 44.001 46.248 26.755 1.00 0.00 C ATOM 1065 CG LEU A 67 42.956 45.176 26.463 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.536 45.554 26.874 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.955 44.864 24.969 1.00 0.00 C ATOM 0 H LEU A 67 43.091 48.414 27.677 1.00 0.00 H new ATOM 0 HA LEU A 67 43.849 45.836 28.840 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.781 47.122 26.142 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.976 45.876 26.440 1.00 0.00 H new ATOM 0 HG LEU A 67 43.241 44.312 27.063 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.857 44.737 26.631 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.506 45.744 27.947 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.229 46.452 26.338 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.209 44.098 24.758 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.716 45.768 24.409 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.940 44.503 24.672 1.00 0.00 H new ATOM 1079 N HIS A 68 46.406 46.193 28.872 1.00 0.00 N ATOM 1080 CA HIS A 68 47.827 46.420 29.040 1.00 0.00 C ATOM 1081 C HIS A 68 48.592 45.751 27.896 1.00 0.00 C ATOM 1082 O HIS A 68 48.369 44.580 27.596 1.00 0.00 O ATOM 1083 CB HIS A 68 48.284 45.945 30.415 1.00 0.00 C ATOM 1084 CG HIS A 68 48.003 46.928 31.519 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.972 47.557 32.298 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.772 47.414 31.878 1.00 0.00 C ATOM 1087 CE1 HIS A 68 48.326 48.416 33.089 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.004 48.356 32.860 1.00 0.00 N ATOM 0 H HIS A 68 46.140 45.218 29.009 1.00 0.00 H new ATOM 0 HA HIS A 68 48.041 47.488 28.995 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.790 45.001 30.646 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.355 45.745 30.383 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.815 47.119 31.474 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.799 49.066 33.810 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.292 48.913 33.332 1.00 0.00 H new ATOM 1096 N LEU A 69 49.481 46.505 27.253 1.00 0.00 N ATOM 1097 CA LEU A 69 50.421 45.992 26.279 1.00 0.00 C ATOM 1098 C LEU A 69 51.696 45.542 26.995 1.00 0.00 C ATOM 1099 O LEU A 69 52.216 46.251 27.854 1.00 0.00 O ATOM 1100 CB LEU A 69 50.677 47.068 25.227 1.00 0.00 C ATOM 1101 CG LEU A 69 51.747 46.735 24.190 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.409 45.531 23.317 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.954 47.931 23.264 1.00 0.00 C ATOM 0 H LEU A 69 49.564 47.510 27.403 1.00 0.00 H new ATOM 0 HA LEU A 69 50.020 45.119 25.764 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.742 47.271 24.705 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.964 47.988 25.736 1.00 0.00 H new ATOM 0 HG LEU A 69 52.644 46.493 24.760 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.217 45.359 22.606 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.284 44.649 23.946 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.483 45.723 22.774 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.718 47.691 22.525 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.018 48.164 22.756 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.274 48.793 23.849 1.00 0.00 H new ATOM 1115 N VAL A 70 52.196 44.366 26.628 1.00 0.00 N ATOM 1116 CA VAL A 70 53.389 43.726 27.143 1.00 0.00 C ATOM 1117 C VAL A 70 54.228 43.244 25.958 1.00 0.00 C ATOM 1118 O VAL A 70 53.685 42.927 24.902 1.00 0.00 O ATOM 1119 CB VAL A 70 52.998 42.592 28.087 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.204 41.848 28.655 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.192 43.091 29.283 1.00 0.00 C ATOM 0 H VAL A 70 51.741 43.800 25.912 1.00 0.00 H new ATOM 0 HA VAL A 70 53.992 44.425 27.723 1.00 0.00 H new ATOM 0 HB VAL A 70 52.402 41.921 27.468 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.862 41.054 29.319 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.782 41.415 27.839 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.830 42.543 29.214 1.00 0.00 H new ATOM 0 HG21 VAL A 70 51.937 42.249 29.926 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.785 43.811 29.846 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.278 43.569 28.932 1.00 0.00 H new ATOM 1131 N LEU A 71 55.549 43.185 26.104 1.00 0.00 N ATOM 1132 CA LEU A 71 56.435 42.655 25.087 1.00 0.00 C ATOM 1133 C LEU A 71 56.248 41.145 24.923 1.00 0.00 C ATOM 1134 O LEU A 71 56.469 40.376 25.856 1.00 0.00 O ATOM 1135 CB LEU A 71 57.876 43.020 25.434 1.00 0.00 C ATOM 1136 CG LEU A 71 58.916 42.522 24.436 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.747 43.134 23.047 1.00 0.00 C ATOM 1138 CD2 LEU A 71 60.319 42.860 24.934 1.00 0.00 C ATOM 0 H LEU A 71 56.033 43.508 26.942 1.00 0.00 H new ATOM 0 HA LEU A 71 56.188 43.102 24.124 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.954 44.105 25.509 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.113 42.615 26.418 1.00 0.00 H new ATOM 0 HG LEU A 71 58.772 41.445 24.355 1.00 0.00 H new ATOM 0 HD11 LEU A 71 59.515 42.742 22.381 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.762 42.880 22.655 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.843 44.218 23.113 1.00 0.00 H new ATOM 0 HD21 LEU A 71 61.056 42.501 24.216 1.00 0.00 H new ATOM 0 HD22 LEU A 71 60.416 43.940 25.044 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.488 42.380 25.898 1.00 0.00 H new ATOM 1150 N ARG A 72 55.889 40.712 23.718 1.00 0.00 N ATOM 1151 CA ARG A 72 55.833 39.319 23.322 1.00 0.00 C ATOM 1152 C ARG A 72 57.222 38.829 22.909 1.00 0.00 C ATOM 1153 O ARG A 72 57.919 39.490 22.142 1.00 0.00 O ATOM 1154 CB ARG A 72 54.796 39.140 22.217 1.00 0.00 C ATOM 1155 CG ARG A 72 54.493 37.689 21.853 1.00 0.00 C ATOM 1156 CD ARG A 72 53.291 37.641 20.914 1.00 0.00 C ATOM 1157 NE ARG A 72 53.169 36.358 20.224 1.00 0.00 N ATOM 1158 CZ ARG A 72 52.694 35.197 20.698 1.00 0.00 C ATOM 1159 NH1 ARG A 72 52.313 35.015 21.970 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.605 34.161 19.854 1.00 0.00 N ATOM 0 H ARG A 72 55.621 41.349 22.968 1.00 0.00 H new ATOM 0 HA ARG A 72 55.520 38.705 24.167 1.00 0.00 H new ATOM 0 HB2 ARG A 72 53.869 39.624 22.526 1.00 0.00 H new ATOM 0 HB3 ARG A 72 55.144 39.659 21.324 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.360 37.234 21.374 1.00 0.00 H new ATOM 0 HG3 ARG A 72 54.287 37.112 22.755 1.00 0.00 H new ATOM 0 HD2 ARG A 72 52.381 37.831 21.484 1.00 0.00 H new ATOM 0 HD3 ARG A 72 53.378 38.439 20.177 1.00 0.00 H new ATOM 0 HE ARG A 72 53.487 36.344 19.255 1.00 0.00 H new ATOM 0 HH11 ARG A 72 52.377 35.784 22.637 1.00 0.00 H new ATOM 0 HH12 ARG A 72 51.959 34.107 22.271 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.894 34.269 18.882 1.00 0.00 H new ATOM 0 HH22 ARG A 72 52.248 33.264 20.183 1.00 0.00 H new ATOM 1174 N LEU A 73 57.596 37.646 23.390 1.00 0.00 N ATOM 1175 CA LEU A 73 58.868 36.998 23.143 1.00 0.00 C ATOM 1176 C LEU A 73 58.727 35.576 22.598 1.00 0.00 C ATOM 1177 O LEU A 73 59.674 35.069 22.001 1.00 0.00 O ATOM 1178 CB LEU A 73 59.705 37.031 24.420 1.00 0.00 C ATOM 1179 CG LEU A 73 60.082 38.428 24.907 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.832 38.354 26.234 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.986 39.162 23.920 1.00 0.00 C ATOM 0 H LEU A 73 56.986 37.092 23.991 1.00 0.00 H new ATOM 0 HA LEU A 73 59.378 37.555 22.357 1.00 0.00 H new ATOM 0 HB2 LEU A 73 59.154 36.523 25.211 1.00 0.00 H new ATOM 0 HB3 LEU A 73 60.619 36.462 24.252 1.00 0.00 H new ATOM 0 HG LEU A 73 59.142 38.970 25.015 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.091 39.361 26.562 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.199 37.879 26.984 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.743 37.769 26.105 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.226 40.150 24.312 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.906 38.595 23.778 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.473 39.266 22.964 1.00 0.00 H new ATOM 1193 N ARG A 74 57.568 34.936 22.723 1.00 0.00 N ATOM 1194 CA ARG A 74 57.301 33.615 22.193 1.00 0.00 C ATOM 1195 C ARG A 74 56.986 33.560 20.697 1.00 0.00 C ATOM 1196 O ARG A 74 56.697 32.479 20.185 1.00 0.00 O ATOM 1197 CB ARG A 74 56.238 32.907 23.028 1.00 0.00 C ATOM 1198 CG ARG A 74 56.687 32.639 24.462 1.00 0.00 C ATOM 1199 CD ARG A 74 55.699 31.767 25.232 1.00 0.00 C ATOM 1200 NE ARG A 74 55.787 30.361 24.835 1.00 0.00 N ATOM 1201 CZ ARG A 74 55.679 29.300 25.646 1.00 0.00 C ATOM 1202 NH1 ARG A 74 55.302 29.386 26.929 1.00 0.00 N ATOM 1203 NH2 ARG A 74 55.953 28.071 25.187 1.00 0.00 N ATOM 0 H ARG A 74 56.769 35.340 23.212 1.00 0.00 H new ATOM 0 HA ARG A 74 58.243 33.074 22.278 1.00 0.00 H new ATOM 0 HB2 ARG A 74 55.333 33.514 23.044 1.00 0.00 H new ATOM 0 HB3 ARG A 74 55.980 31.961 22.551 1.00 0.00 H new ATOM 0 HG2 ARG A 74 57.662 32.152 24.449 1.00 0.00 H new ATOM 0 HG3 ARG A 74 56.812 33.588 24.983 1.00 0.00 H new ATOM 0 HD2 ARG A 74 55.893 31.855 26.301 1.00 0.00 H new ATOM 0 HD3 ARG A 74 54.685 32.130 25.061 1.00 0.00 H new ATOM 0 HE ARG A 74 55.946 30.171 23.846 1.00 0.00 H new ATOM 0 HH11 ARG A 74 55.080 30.295 27.335 1.00 0.00 H new ATOM 0 HH12 ARG A 74 55.237 28.543 27.499 1.00 0.00 H new ATOM 0 HH21 ARG A 74 56.245 27.942 24.218 1.00 0.00 H new ATOM 0 HH22 ARG A 74 55.870 27.265 25.807 1.00 0.00 H new ATOM 1217 N GLY A 75 57.036 34.674 19.974 1.00 0.00 N ATOM 1218 CA GLY A 75 56.772 34.727 18.549 1.00 0.00 C ATOM 1219 C GLY A 75 57.960 34.390 17.646 1.00 0.00 C ATOM 1220 O GLY A 75 57.751 33.984 16.506 1.00 0.00 O ATOM 0 H GLY A 75 57.267 35.583 20.376 1.00 0.00 H new ATOM 0 HA2 GLY A 75 55.959 34.038 18.322 1.00 0.00 H new ATOM 0 HA3 GLY A 75 56.421 35.728 18.299 1.00 0.00 H new ATOM 1224 N GLY A 76 59.195 34.537 18.119 1.00 0.00 N ATOM 1225 CA GLY A 76 60.403 34.268 17.365 1.00 0.00 C ATOM 1226 C GLY A 76 61.659 34.822 18.041 1.00 0.00 C ATOM 1227 O GLY A 76 61.983 34.327 19.142 1.00 0.00 O ATOM 1228 OXT GLY A 76 62.260 35.768 17.489 1.00 0.00 O ATOM 0 H GLY A 76 59.382 34.857 19.069 1.00 0.00 H new ATOM 0 HA2 GLY A 76 60.512 33.191 17.233 1.00 0.00 H new ATOM 0 HA3 GLY A 76 60.309 34.703 16.370 1.00 0.00 H new TER 1232 GLY A 76