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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Set 2.1: A 7 THR OG1 : rot -54:sc= 0.599 USER MOD Set 2.2: A 9 THR OG1 : rot -150:sc= 0 USER MOD Set 2.3: A 11 LYS NZ :NH3+ 170:sc= -0.28 (180deg=-0.463) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0363 (180deg=-0.0928) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.366 (180deg=-0.49) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0054 (180deg=-0.288) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.453 USER MOD Single : A 20 SER OG : rot -0:sc= 0.997! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.698 K(o=-0.7,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -0.0348 (180deg=-0.504) USER MOD Single : A 31 GLN : amide:sc= -0.883 K(o=-0.88,f=-2.2!) USER MOD Single : A 33 LYS NZ :NH3+ 142:sc= -2.74 (180deg=-5.85!) USER MOD Single : A 40 GLN : amide:sc= -0.0881 X(o=-0.088,f=-0.12) USER MOD Single : A 41 GLN : amide:sc= -3.19 K(o=-3.2,f=-9.9!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00173 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.576 USER MOD Single : A 60 ASN : amide:sc= -0.259 K(o=-0.26,f=-1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00494 USER MOD Single : A 68 HIS : no HD1:sc= -2.37! C(o=-2.4!,f=-9.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.434 24.572 1.331 1.00 0.00 N ATOM 2 CA MET A 1 29.149 25.317 1.419 1.00 0.00 C ATOM 3 C MET A 1 29.386 26.656 2.108 1.00 0.00 C ATOM 4 O MET A 1 30.481 27.222 2.034 1.00 0.00 O ATOM 5 CB MET A 1 28.130 24.489 2.208 1.00 0.00 C ATOM 6 CG MET A 1 28.611 24.310 3.652 1.00 0.00 C ATOM 7 SD MET A 1 27.627 23.024 4.458 1.00 0.00 S ATOM 8 CE MET A 1 28.362 23.173 6.104 1.00 0.00 C ATOM 0 H1 MET A 1 30.243 23.576 1.101 1.00 0.00 H new ATOM 0 H2 MET A 1 31.028 24.991 0.587 1.00 0.00 H new ATOM 0 H3 MET A 1 30.931 24.628 2.243 1.00 0.00 H new ATOM 0 HA MET A 1 28.759 25.497 0.417 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.159 24.985 2.197 1.00 0.00 H new ATOM 0 HB3 MET A 1 27.996 23.515 1.737 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.666 24.037 3.664 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.518 25.249 4.197 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.688 22.740 6.844 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.314 22.643 6.127 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.527 24.225 6.335 1.00 0.00 H new ATOM 20 N GLN A 2 28.359 27.156 2.793 1.00 0.00 N ATOM 21 CA GLN A 2 28.460 28.427 3.503 1.00 0.00 C ATOM 22 C GLN A 2 27.644 28.390 4.794 1.00 0.00 C ATOM 23 O GLN A 2 26.606 27.732 4.870 1.00 0.00 O ATOM 24 CB GLN A 2 27.951 29.561 2.608 1.00 0.00 C ATOM 25 CG GLN A 2 26.465 29.352 2.310 1.00 0.00 C ATOM 26 CD GLN A 2 25.997 30.347 1.254 1.00 0.00 C ATOM 27 OE1 GLN A 2 25.670 31.489 1.578 1.00 0.00 O ATOM 28 NE2 GLN A 2 25.948 29.982 0.003 1.00 0.00 N ATOM 0 H GLN A 2 27.450 26.700 2.871 1.00 0.00 H new ATOM 0 HA GLN A 2 29.506 28.600 3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.102 30.522 3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 2 28.519 29.587 1.678 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.296 28.333 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 2 25.882 29.477 3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 2 26.219 29.035 -0.263 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.638 30.643 -0.709 1.00 0.00 H new ATOM 37 N ILE A 3 28.125 29.116 5.802 1.00 0.00 N ATOM 38 CA ILE A 3 27.443 29.180 7.091 1.00 0.00 C ATOM 39 C ILE A 3 27.488 30.593 7.663 1.00 0.00 C ATOM 40 O ILE A 3 28.452 31.327 7.459 1.00 0.00 O ATOM 41 CB ILE A 3 28.088 28.211 8.083 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.556 28.594 8.317 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.025 26.786 7.527 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.135 27.734 9.436 1.00 0.00 C ATOM 0 H ILE A 3 28.982 29.666 5.750 1.00 0.00 H new ATOM 0 HA ILE A 3 26.402 28.898 6.932 1.00 0.00 H new ATOM 0 HB ILE A 3 27.546 28.263 9.027 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.130 28.453 7.401 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.630 29.649 8.580 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.485 26.098 8.236 1.00 0.00 H new ATOM 0 HG22 ILE A 3 26.984 26.502 7.370 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.560 26.741 6.579 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.177 28.006 9.602 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.567 27.898 10.352 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.075 26.683 9.155 1.00 0.00 H new ATOM 56 N PHE A 4 26.430 30.968 8.374 1.00 0.00 N ATOM 57 CA PHE A 4 26.342 32.300 8.975 1.00 0.00 C ATOM 58 C PHE A 4 26.784 32.262 10.432 1.00 0.00 C ATOM 59 O PHE A 4 26.279 31.452 11.209 1.00 0.00 O ATOM 60 CB PHE A 4 24.896 32.800 8.899 1.00 0.00 C ATOM 61 CG PHE A 4 24.562 33.190 7.480 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.084 32.226 6.586 1.00 0.00 C ATOM 63 CD2 PHE A 4 24.724 34.516 7.061 1.00 0.00 C ATOM 64 CE1 PHE A 4 23.765 32.588 5.271 1.00 0.00 C ATOM 65 CE2 PHE A 4 24.407 34.878 5.746 1.00 0.00 C ATOM 66 CZ PHE A 4 23.928 33.914 4.852 1.00 0.00 C ATOM 0 H PHE A 4 25.621 30.372 8.550 1.00 0.00 H new ATOM 0 HA PHE A 4 26.999 32.974 8.425 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.214 32.022 9.242 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.762 33.655 9.562 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.961 31.203 6.910 1.00 0.00 H new ATOM 0 HD2 PHE A 4 25.093 35.259 7.752 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.394 31.845 4.581 1.00 0.00 H new ATOM 0 HE2 PHE A 4 24.532 35.901 5.422 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.684 34.193 3.838 1.00 0.00 H new ATOM 76 N VAL A 5 27.711 33.150 10.814 1.00 0.00 N ATOM 77 CA VAL A 5 28.188 33.209 12.197 1.00 0.00 C ATOM 78 C VAL A 5 27.722 34.493 12.862 1.00 0.00 C ATOM 79 O VAL A 5 28.084 35.597 12.453 1.00 0.00 O ATOM 80 CB VAL A 5 29.717 33.125 12.234 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.229 33.489 13.637 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.135 31.689 11.909 1.00 0.00 C ATOM 0 H VAL A 5 28.141 33.831 10.189 1.00 0.00 H new ATOM 0 HA VAL A 5 27.775 32.361 12.743 1.00 0.00 H new ATOM 0 HB VAL A 5 30.138 33.820 11.507 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.317 33.427 13.655 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.920 34.504 13.885 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.814 32.794 14.367 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.222 31.613 11.931 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.708 31.010 12.647 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.773 31.420 10.917 1.00 0.00 H new ATOM 92 N LYS A 6 26.904 34.324 13.882 1.00 0.00 N ATOM 93 CA LYS A 6 26.358 35.454 14.620 1.00 0.00 C ATOM 94 C LYS A 6 27.234 35.787 15.827 1.00 0.00 C ATOM 95 O LYS A 6 27.232 35.065 16.823 1.00 0.00 O ATOM 96 CB LYS A 6 24.948 35.085 15.074 1.00 0.00 C ATOM 97 CG LYS A 6 24.162 36.333 15.459 1.00 0.00 C ATOM 98 CD LYS A 6 22.710 35.927 15.723 1.00 0.00 C ATOM 99 CE LYS A 6 21.893 37.143 16.156 1.00 0.00 C ATOM 100 NZ LYS A 6 22.340 37.584 17.506 1.00 0.00 N ATOM 0 H LYS A 6 26.600 33.412 14.222 1.00 0.00 H new ATOM 0 HA LYS A 6 26.331 36.336 13.980 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.430 34.555 14.274 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.001 34.405 15.925 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.594 36.795 16.347 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.210 37.073 14.660 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.277 35.491 14.823 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.674 35.161 16.498 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.017 37.953 15.437 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.832 36.894 16.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.620 38.207 17.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.475 36.752 18.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.238 38.101 17.422 1.00 0.00 H new ATOM 114 N THR A 7 27.986 36.883 15.729 1.00 0.00 N ATOM 115 CA THR A 7 28.865 37.299 16.822 1.00 0.00 C ATOM 116 C THR A 7 28.044 37.907 17.957 1.00 0.00 C ATOM 117 O THR A 7 26.871 38.233 17.775 1.00 0.00 O ATOM 118 CB THR A 7 29.895 38.313 16.321 1.00 0.00 C ATOM 119 OG1 THR A 7 29.233 39.507 15.937 1.00 0.00 O ATOM 120 CG2 THR A 7 30.656 37.731 15.122 1.00 0.00 C ATOM 0 H THR A 7 28.005 37.494 14.912 1.00 0.00 H new ATOM 0 HA THR A 7 29.391 36.421 17.197 1.00 0.00 H new ATOM 0 HB THR A 7 30.604 38.533 17.119 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.527 39.296 15.290 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.388 38.457 14.769 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.167 36.817 15.424 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.953 37.505 14.320 1.00 0.00 H new ATOM 128 N LEU A 8 28.653 38.077 19.130 1.00 0.00 N ATOM 129 CA LEU A 8 27.935 38.649 20.263 1.00 0.00 C ATOM 130 C LEU A 8 27.679 40.139 20.065 1.00 0.00 C ATOM 131 O LEU A 8 26.673 40.668 20.538 1.00 0.00 O ATOM 132 CB LEU A 8 28.743 38.440 21.551 1.00 0.00 C ATOM 133 CG LEU A 8 27.861 38.733 22.782 1.00 0.00 C ATOM 134 CD1 LEU A 8 27.000 37.510 23.126 1.00 0.00 C ATOM 135 CD2 LEU A 8 28.749 39.073 23.988 1.00 0.00 C ATOM 0 H LEU A 8 29.625 37.831 19.317 1.00 0.00 H new ATOM 0 HA LEU A 8 26.973 38.142 20.339 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.114 37.416 21.595 1.00 0.00 H new ATOM 0 HB3 LEU A 8 29.614 39.095 21.554 1.00 0.00 H new ATOM 0 HG LEU A 8 27.212 39.577 22.549 1.00 0.00 H new ATOM 0 HD11 LEU A 8 26.383 37.733 23.997 1.00 0.00 H new ATOM 0 HD12 LEU A 8 26.358 37.267 22.279 1.00 0.00 H new ATOM 0 HD13 LEU A 8 27.646 36.660 23.347 1.00 0.00 H new ATOM 0 HD21 LEU A 8 28.122 39.279 24.855 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.404 38.230 24.207 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.352 39.952 23.759 1.00 0.00 H new ATOM 147 N THR A 9 28.593 40.816 19.379 1.00 0.00 N ATOM 148 CA THR A 9 28.441 42.246 19.148 1.00 0.00 C ATOM 149 C THR A 9 27.301 42.513 18.174 1.00 0.00 C ATOM 150 O THR A 9 27.011 43.664 17.846 1.00 0.00 O ATOM 151 CB THR A 9 29.741 42.836 18.596 1.00 0.00 C ATOM 152 OG1 THR A 9 30.046 42.225 17.351 1.00 0.00 O ATOM 153 CG2 THR A 9 30.881 42.584 19.585 1.00 0.00 C ATOM 0 H THR A 9 29.436 40.404 18.978 1.00 0.00 H new ATOM 0 HA THR A 9 28.209 42.723 20.100 1.00 0.00 H new ATOM 0 HB THR A 9 29.620 43.910 18.453 1.00 0.00 H new ATOM 0 HG1 THR A 9 31.018 42.207 17.225 1.00 0.00 H new ATOM 0 HG21 THR A 9 31.805 43.005 19.190 1.00 0.00 H new ATOM 0 HG22 THR A 9 30.646 43.056 20.539 1.00 0.00 H new ATOM 0 HG23 THR A 9 31.005 41.511 19.732 1.00 0.00 H new ATOM 161 N GLY A 10 26.652 41.444 17.713 1.00 0.00 N ATOM 162 CA GLY A 10 25.543 41.586 16.778 1.00 0.00 C ATOM 163 C GLY A 10 26.052 41.725 15.351 1.00 0.00 C ATOM 164 O GLY A 10 25.284 42.035 14.440 1.00 0.00 O ATOM 0 H GLY A 10 26.874 40.482 17.970 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.886 40.719 16.852 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.948 42.460 17.043 1.00 0.00 H new ATOM 168 N LYS A 11 27.343 41.463 15.151 1.00 0.00 N ATOM 169 CA LYS A 11 27.932 41.530 13.817 1.00 0.00 C ATOM 170 C LYS A 11 27.823 40.166 13.147 1.00 0.00 C ATOM 171 O LYS A 11 28.391 39.185 13.627 1.00 0.00 O ATOM 172 CB LYS A 11 29.403 41.950 13.907 1.00 0.00 C ATOM 173 CG LYS A 11 29.494 43.398 14.391 1.00 0.00 C ATOM 174 CD LYS A 11 30.965 43.797 14.549 1.00 0.00 C ATOM 175 CE LYS A 11 31.053 45.250 15.025 1.00 0.00 C ATOM 176 NZ LYS A 11 30.471 45.361 16.392 1.00 0.00 N ATOM 0 H LYS A 11 27.996 41.204 15.891 1.00 0.00 H new ATOM 0 HA LYS A 11 27.394 42.271 13.225 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.938 41.293 14.592 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.880 41.851 12.932 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.001 44.061 13.680 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.973 43.507 15.342 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.456 43.138 15.265 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.488 43.682 13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.092 45.579 15.033 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.517 45.903 14.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 30.681 46.302 16.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 29.441 45.228 16.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.885 44.631 17.006 1.00 0.00 H new ATOM 190 N THR A 12 27.086 40.105 12.045 1.00 0.00 N ATOM 191 CA THR A 12 26.903 38.849 11.322 1.00 0.00 C ATOM 192 C THR A 12 27.859 38.771 10.137 1.00 0.00 C ATOM 193 O THR A 12 27.889 39.667 9.293 1.00 0.00 O ATOM 194 CB THR A 12 25.465 38.757 10.814 1.00 0.00 C ATOM 195 OG1 THR A 12 24.574 38.771 11.921 1.00 0.00 O ATOM 196 CG2 THR A 12 25.281 37.458 10.023 1.00 0.00 C ATOM 0 H THR A 12 26.607 40.905 11.632 1.00 0.00 H new ATOM 0 HA THR A 12 27.112 38.022 12.001 1.00 0.00 H new ATOM 0 HB THR A 12 25.253 39.606 10.164 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.650 38.714 11.598 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.255 37.394 9.662 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.966 37.448 9.175 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.492 36.606 10.669 1.00 0.00 H new ATOM 204 N ILE A 13 28.632 37.687 10.069 1.00 0.00 N ATOM 205 CA ILE A 13 29.580 37.493 8.968 1.00 0.00 C ATOM 206 C ILE A 13 29.499 36.064 8.454 1.00 0.00 C ATOM 207 O ILE A 13 29.434 35.113 9.233 1.00 0.00 O ATOM 208 CB ILE A 13 31.004 37.788 9.436 1.00 0.00 C ATOM 209 CG1 ILE A 13 31.293 36.996 10.712 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.149 39.286 9.708 1.00 0.00 C ATOM 211 CD1 ILE A 13 32.691 37.341 11.223 1.00 0.00 C ATOM 0 H ILE A 13 28.622 36.934 10.757 1.00 0.00 H new ATOM 0 HA ILE A 13 29.320 38.180 8.163 1.00 0.00 H new ATOM 0 HB ILE A 13 31.714 37.494 8.663 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.549 37.229 11.473 1.00 0.00 H new ATOM 0 HG13 ILE A 13 31.221 35.927 10.513 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.165 39.499 10.042 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.944 39.843 8.794 1.00 0.00 H new ATOM 0 HG23 ILE A 13 30.442 39.585 10.482 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.896 36.776 12.132 1.00 0.00 H new ATOM 0 HD12 ILE A 13 33.429 37.086 10.463 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.747 38.408 11.439 1.00 0.00 H new ATOM 223 N THR A 14 29.468 35.922 7.134 1.00 0.00 N ATOM 224 CA THR A 14 29.354 34.602 6.517 1.00 0.00 C ATOM 225 C THR A 14 30.713 33.912 6.425 1.00 0.00 C ATOM 226 O THR A 14 31.750 34.557 6.268 1.00 0.00 O ATOM 227 CB THR A 14 28.736 34.733 5.123 1.00 0.00 C ATOM 228 OG1 THR A 14 27.549 35.511 5.213 1.00 0.00 O ATOM 229 CG2 THR A 14 28.391 33.343 4.572 1.00 0.00 C ATOM 0 H THR A 14 29.520 36.697 6.473 1.00 0.00 H new ATOM 0 HA THR A 14 28.709 33.988 7.145 1.00 0.00 H new ATOM 0 HB THR A 14 29.449 35.216 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 14 26.798 34.934 5.467 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.952 33.444 3.580 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.298 32.742 4.508 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.678 32.855 5.237 1.00 0.00 H new ATOM 237 N LEU A 15 30.680 32.587 6.552 1.00 0.00 N ATOM 238 CA LEU A 15 31.882 31.758 6.515 1.00 0.00 C ATOM 239 C LEU A 15 31.762 30.676 5.438 1.00 0.00 C ATOM 240 O LEU A 15 30.738 30.000 5.334 1.00 0.00 O ATOM 241 CB LEU A 15 32.059 31.095 7.907 1.00 0.00 C ATOM 242 CG LEU A 15 33.502 31.236 8.417 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.714 32.646 8.971 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.747 30.216 9.535 1.00 0.00 C ATOM 0 H LEU A 15 29.818 32.058 6.684 1.00 0.00 H new ATOM 0 HA LEU A 15 32.745 32.379 6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.373 31.553 8.620 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.795 30.039 7.845 1.00 0.00 H new ATOM 0 HG LEU A 15 34.195 31.058 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.738 32.745 9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.535 33.377 8.183 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.020 32.822 9.793 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.770 30.314 9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.051 30.400 10.354 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.594 29.208 9.148 1.00 0.00 H new ATOM 256 N GLU A 16 32.827 30.501 4.667 1.00 0.00 N ATOM 257 CA GLU A 16 32.848 29.470 3.628 1.00 0.00 C ATOM 258 C GLU A 16 33.578 28.247 4.165 1.00 0.00 C ATOM 259 O GLU A 16 34.717 28.351 4.623 1.00 0.00 O ATOM 260 CB GLU A 16 33.563 29.983 2.373 1.00 0.00 C ATOM 261 CG GLU A 16 32.668 30.988 1.646 1.00 0.00 C ATOM 262 CD GLU A 16 33.462 31.697 0.555 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.511 31.193 0.191 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.011 32.736 0.101 1.00 0.00 O ATOM 0 H GLU A 16 33.682 31.052 4.737 1.00 0.00 H new ATOM 0 HA GLU A 16 31.824 29.211 3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.507 30.454 2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.802 29.150 1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.811 30.475 1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.276 31.718 2.354 1.00 0.00 H new ATOM 271 N VAL A 17 32.926 27.087 4.113 1.00 0.00 N ATOM 272 CA VAL A 17 33.544 25.853 4.614 1.00 0.00 C ATOM 273 C VAL A 17 33.055 24.648 3.830 1.00 0.00 C ATOM 274 O VAL A 17 32.084 24.711 3.081 1.00 0.00 O ATOM 275 CB VAL A 17 33.237 25.671 6.112 1.00 0.00 C ATOM 276 CG1 VAL A 17 31.741 25.862 6.380 1.00 0.00 C ATOM 277 CG2 VAL A 17 33.644 24.278 6.606 1.00 0.00 C ATOM 0 H VAL A 17 31.985 26.972 3.736 1.00 0.00 H new ATOM 0 HA VAL A 17 34.623 25.935 4.482 1.00 0.00 H new ATOM 0 HB VAL A 17 33.815 26.423 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 17 31.542 25.730 7.444 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.442 26.866 6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.173 25.127 5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 17 33.412 24.186 7.667 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.095 23.519 6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 17 34.714 24.137 6.455 1.00 0.00 H new ATOM 287 N GLU A 18 33.752 23.551 4.034 1.00 0.00 N ATOM 288 CA GLU A 18 33.416 22.282 3.380 1.00 0.00 C ATOM 289 C GLU A 18 32.644 21.379 4.360 1.00 0.00 C ATOM 290 O GLU A 18 33.081 21.197 5.492 1.00 0.00 O ATOM 291 CB GLU A 18 34.684 21.564 2.916 1.00 0.00 C ATOM 292 CG GLU A 18 35.539 22.533 2.101 1.00 0.00 C ATOM 293 CD GLU A 18 36.756 21.809 1.538 1.00 0.00 C ATOM 294 OE1 GLU A 18 37.711 21.638 2.275 1.00 0.00 O ATOM 295 OE2 GLU A 18 36.714 21.438 0.376 1.00 0.00 O ATOM 0 H GLU A 18 34.563 23.502 4.651 1.00 0.00 H new ATOM 0 HA GLU A 18 32.794 22.495 2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.246 21.200 3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.424 20.694 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.949 22.956 1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 18 35.859 23.365 2.729 1.00 0.00 H new ATOM 302 N PRO A 19 31.524 20.805 3.988 1.00 0.00 N ATOM 303 CA PRO A 19 30.764 19.916 4.919 1.00 0.00 C ATOM 304 C PRO A 19 31.672 18.888 5.609 1.00 0.00 C ATOM 305 O PRO A 19 31.468 18.550 6.775 1.00 0.00 O ATOM 306 CB PRO A 19 29.739 19.228 4.004 1.00 0.00 C ATOM 307 CG PRO A 19 29.529 20.177 2.867 1.00 0.00 C ATOM 308 CD PRO A 19 30.849 20.929 2.681 1.00 0.00 C ATOM 0 HA PRO A 19 30.304 20.471 5.736 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.110 18.266 3.651 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.806 19.035 4.533 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.257 19.640 1.958 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.715 20.869 3.084 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.447 20.492 1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.679 21.973 2.418 1.00 0.00 H new ATOM 316 N SER A 20 32.669 18.396 4.877 1.00 0.00 N ATOM 317 CA SER A 20 33.597 17.408 5.425 1.00 0.00 C ATOM 318 C SER A 20 34.650 18.081 6.303 1.00 0.00 C ATOM 319 O SER A 20 35.547 17.425 6.833 1.00 0.00 O ATOM 320 CB SER A 20 34.289 16.660 4.286 1.00 0.00 C ATOM 321 OG SER A 20 35.390 15.927 4.805 1.00 0.00 O ATOM 0 H SER A 20 32.855 18.662 3.910 1.00 0.00 H new ATOM 0 HA SER A 20 33.029 16.706 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 20 33.585 15.985 3.799 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.631 17.365 3.528 1.00 0.00 H new ATOM 0 HG SER A 20 35.455 16.076 5.771 1.00 0.00 H new ATOM 327 N ASP A 21 34.508 19.388 6.480 1.00 0.00 N ATOM 328 CA ASP A 21 35.423 20.146 7.324 1.00 0.00 C ATOM 329 C ASP A 21 35.170 19.826 8.789 1.00 0.00 C ATOM 330 O ASP A 21 34.035 19.555 9.186 1.00 0.00 O ATOM 331 CB ASP A 21 35.247 21.637 7.093 1.00 0.00 C ATOM 332 CG ASP A 21 36.397 22.415 7.714 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.429 21.818 7.953 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.225 23.602 7.936 1.00 0.00 O ATOM 0 H ASP A 21 33.769 19.945 6.051 1.00 0.00 H new ATOM 0 HA ASP A 21 36.443 19.865 7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.198 21.841 6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.302 21.968 7.524 1.00 0.00 H new ATOM 339 N THR A 22 36.221 19.886 9.592 1.00 0.00 N ATOM 340 CA THR A 22 36.105 19.626 11.026 1.00 0.00 C ATOM 341 C THR A 22 35.780 20.911 11.780 1.00 0.00 C ATOM 342 O THR A 22 35.873 22.013 11.231 1.00 0.00 O ATOM 343 CB THR A 22 37.411 19.029 11.564 1.00 0.00 C ATOM 344 OG1 THR A 22 38.462 19.972 11.411 1.00 0.00 O ATOM 345 CG2 THR A 22 37.747 17.755 10.788 1.00 0.00 C ATOM 0 H THR A 22 37.165 20.112 9.279 1.00 0.00 H new ATOM 0 HA THR A 22 35.295 18.913 11.179 1.00 0.00 H new ATOM 0 HB THR A 22 37.293 18.788 12.621 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.296 19.591 11.756 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.675 17.330 11.170 1.00 0.00 H new ATOM 0 HG22 THR A 22 36.940 17.032 10.909 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.865 17.993 9.731 1.00 0.00 H new ATOM 353 N ILE A 23 35.429 20.767 13.047 1.00 0.00 N ATOM 354 CA ILE A 23 35.126 21.940 13.860 1.00 0.00 C ATOM 355 C ILE A 23 36.410 22.712 14.142 1.00 0.00 C ATOM 356 O ILE A 23 36.482 23.916 13.903 1.00 0.00 O ATOM 357 CB ILE A 23 34.453 21.521 15.173 1.00 0.00 C ATOM 358 CG1 ILE A 23 33.353 20.492 14.884 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.831 22.742 15.852 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.473 20.967 13.722 1.00 0.00 C ATOM 0 H ILE A 23 35.347 19.872 13.530 1.00 0.00 H new ATOM 0 HA ILE A 23 34.436 22.584 13.314 1.00 0.00 H new ATOM 0 HB ILE A 23 35.203 21.082 15.831 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.801 19.529 14.640 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.742 20.343 15.774 1.00 0.00 H new ATOM 0 HG21 ILE A 23 33.355 22.437 16.784 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.609 23.475 16.065 1.00 0.00 H new ATOM 0 HG23 ILE A 23 33.086 23.185 15.192 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.697 20.227 13.528 1.00 0.00 H new ATOM 0 HD12 ILE A 23 32.010 21.919 13.982 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.086 21.093 12.829 1.00 0.00 H new ATOM 372 N GLU A 24 37.434 22.009 14.621 1.00 0.00 N ATOM 373 CA GLU A 24 38.718 22.648 14.900 1.00 0.00 C ATOM 374 C GLU A 24 39.102 23.561 13.741 1.00 0.00 C ATOM 375 O GLU A 24 39.837 24.534 13.910 1.00 0.00 O ATOM 376 CB GLU A 24 39.805 21.590 15.093 1.00 0.00 C ATOM 377 CG GLU A 24 39.301 20.496 16.035 1.00 0.00 C ATOM 378 CD GLU A 24 38.800 21.119 17.334 1.00 0.00 C ATOM 379 OE1 GLU A 24 37.690 21.626 17.335 1.00 0.00 O ATOM 380 OE2 GLU A 24 39.533 21.080 18.308 1.00 0.00 O ATOM 0 H GLU A 24 37.402 21.010 14.822 1.00 0.00 H new ATOM 0 HA GLU A 24 38.625 23.235 15.814 1.00 0.00 H new ATOM 0 HB2 GLU A 24 40.079 21.157 14.131 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.704 22.050 15.503 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.498 19.935 15.558 1.00 0.00 H new ATOM 0 HG3 GLU A 24 40.103 19.788 16.246 1.00 0.00 H new ATOM 387 N ASN A 25 38.566 23.251 12.566 1.00 0.00 N ATOM 388 CA ASN A 25 38.831 24.065 11.386 1.00 0.00 C ATOM 389 C ASN A 25 38.002 25.341 11.462 1.00 0.00 C ATOM 390 O ASN A 25 38.542 26.448 11.483 1.00 0.00 O ATOM 391 CB ASN A 25 38.488 23.293 10.106 1.00 0.00 C ATOM 392 CG ASN A 25 39.228 23.903 8.917 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.456 23.833 8.847 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.554 24.509 7.980 1.00 0.00 N ATOM 0 H ASN A 25 37.953 22.452 12.406 1.00 0.00 H new ATOM 0 HA ASN A 25 39.891 24.315 11.358 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.764 22.245 10.218 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.413 23.322 9.930 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.043 24.926 7.188 1.00 0.00 H new ATOM 0 HD22 ASN A 25 37.537 24.566 8.039 1.00 0.00 H new ATOM 401 N VAL A 26 36.681 25.182 11.498 1.00 0.00 N ATOM 402 CA VAL A 26 35.789 26.333 11.577 1.00 0.00 C ATOM 403 C VAL A 26 36.252 27.279 12.668 1.00 0.00 C ATOM 404 O VAL A 26 35.996 28.482 12.621 1.00 0.00 O ATOM 405 CB VAL A 26 34.367 25.863 11.869 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.428 27.068 11.944 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.922 24.934 10.749 1.00 0.00 C ATOM 0 H VAL A 26 36.210 24.278 11.474 1.00 0.00 H new ATOM 0 HA VAL A 26 35.806 26.860 10.623 1.00 0.00 H new ATOM 0 HB VAL A 26 34.339 25.336 12.823 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.414 26.727 12.153 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.757 27.737 12.740 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.443 27.601 10.993 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.906 24.590 10.944 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.948 25.470 9.800 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.593 24.076 10.700 1.00 0.00 H new ATOM 417 N LYS A 27 36.953 26.722 13.639 1.00 0.00 N ATOM 418 CA LYS A 27 37.476 27.515 14.738 1.00 0.00 C ATOM 419 C LYS A 27 38.631 28.365 14.244 1.00 0.00 C ATOM 420 O LYS A 27 38.671 29.574 14.467 1.00 0.00 O ATOM 421 CB LYS A 27 37.962 26.597 15.865 1.00 0.00 C ATOM 422 CG LYS A 27 36.767 25.882 16.515 1.00 0.00 C ATOM 423 CD LYS A 27 37.138 25.424 17.926 1.00 0.00 C ATOM 424 CE LYS A 27 35.944 24.705 18.555 1.00 0.00 C ATOM 425 NZ LYS A 27 36.227 24.436 19.993 1.00 0.00 N ATOM 0 H LYS A 27 37.173 25.727 13.690 1.00 0.00 H new ATOM 0 HA LYS A 27 36.684 28.159 15.120 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.664 25.863 15.470 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.498 27.180 16.614 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.909 26.553 16.555 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.473 25.024 15.910 1.00 0.00 H new ATOM 0 HD2 LYS A 27 38.000 24.758 17.890 1.00 0.00 H new ATOM 0 HD3 LYS A 27 37.423 26.281 18.536 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.046 25.315 18.458 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.752 23.769 18.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.415 23.947 20.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 37.074 23.838 20.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 36.390 25.335 20.489 1.00 0.00 H new ATOM 439 N ALA A 28 39.565 27.717 13.569 1.00 0.00 N ATOM 440 CA ALA A 28 40.730 28.404 13.036 1.00 0.00 C ATOM 441 C ALA A 28 40.306 29.603 12.187 1.00 0.00 C ATOM 442 O ALA A 28 40.977 30.634 12.173 1.00 0.00 O ATOM 443 CB ALA A 28 41.540 27.424 12.184 1.00 0.00 C ATOM 0 H ALA A 28 39.540 26.716 13.377 1.00 0.00 H new ATOM 0 HA ALA A 28 41.340 28.769 13.863 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.416 27.931 11.780 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.859 26.584 12.800 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.922 27.058 11.364 1.00 0.00 H new ATOM 449 N LYS A 29 39.175 29.468 11.502 1.00 0.00 N ATOM 450 CA LYS A 29 38.669 30.564 10.683 1.00 0.00 C ATOM 451 C LYS A 29 38.190 31.706 11.579 1.00 0.00 C ATOM 452 O LYS A 29 38.715 32.819 11.525 1.00 0.00 O ATOM 453 CB LYS A 29 37.534 30.073 9.782 1.00 0.00 C ATOM 454 CG LYS A 29 38.129 29.332 8.572 1.00 0.00 C ATOM 455 CD LYS A 29 37.067 28.442 7.938 1.00 0.00 C ATOM 456 CE LYS A 29 37.710 27.552 6.873 1.00 0.00 C ATOM 457 NZ LYS A 29 38.440 28.401 5.890 1.00 0.00 N ATOM 0 H LYS A 29 38.600 28.626 11.496 1.00 0.00 H new ATOM 0 HA LYS A 29 39.474 30.934 10.048 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.873 29.410 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.931 30.916 9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.499 30.050 7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.981 28.729 8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.591 27.826 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.285 29.055 7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.397 26.846 7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.945 26.964 6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.613 27.856 5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.868 29.240 5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.349 28.701 6.298 1.00 0.00 H new ATOM 471 N ILE A 30 37.174 31.428 12.391 1.00 0.00 N ATOM 472 CA ILE A 30 36.613 32.424 13.283 1.00 0.00 C ATOM 473 C ILE A 30 37.711 33.090 14.117 1.00 0.00 C ATOM 474 O ILE A 30 37.671 34.296 14.351 1.00 0.00 O ATOM 475 CB ILE A 30 35.586 31.740 14.193 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.341 31.363 13.374 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.176 32.687 15.322 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.540 30.297 14.122 1.00 0.00 C ATOM 0 H ILE A 30 36.724 30.514 12.446 1.00 0.00 H new ATOM 0 HA ILE A 30 36.127 33.205 12.698 1.00 0.00 H new ATOM 0 HB ILE A 30 36.033 30.842 14.618 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.723 32.245 13.205 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.637 30.989 12.394 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.446 32.193 15.964 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.054 32.954 15.910 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.735 33.589 14.898 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.657 30.030 13.541 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.159 29.412 14.268 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.231 30.688 15.092 1.00 0.00 H new ATOM 490 N GLN A 31 38.684 32.303 14.562 1.00 0.00 N ATOM 491 CA GLN A 31 39.775 32.845 15.368 1.00 0.00 C ATOM 492 C GLN A 31 40.497 33.954 14.604 1.00 0.00 C ATOM 493 O GLN A 31 40.589 35.090 15.063 1.00 0.00 O ATOM 494 CB GLN A 31 40.774 31.736 15.716 1.00 0.00 C ATOM 495 CG GLN A 31 41.808 32.268 16.715 1.00 0.00 C ATOM 496 CD GLN A 31 42.881 31.215 16.969 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.690 30.042 16.652 1.00 0.00 O ATOM 498 NE2 GLN A 31 44.005 31.567 17.531 1.00 0.00 N ATOM 0 H GLN A 31 38.742 31.301 14.382 1.00 0.00 H new ATOM 0 HA GLN A 31 39.355 33.256 16.286 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.249 30.881 16.142 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.273 31.386 14.812 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.265 33.178 16.327 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.318 32.532 17.652 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.161 32.540 17.793 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.727 30.869 17.708 1.00 0.00 H new ATOM 507 N ASP A 32 41.019 33.591 13.447 1.00 0.00 N ATOM 508 CA ASP A 32 41.756 34.542 12.621 1.00 0.00 C ATOM 509 C ASP A 32 40.975 35.847 12.423 1.00 0.00 C ATOM 510 O ASP A 32 41.568 36.924 12.365 1.00 0.00 O ATOM 511 CB ASP A 32 42.069 33.918 11.259 1.00 0.00 C ATOM 512 CG ASP A 32 43.092 32.798 11.421 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.713 32.738 12.471 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.240 32.017 10.496 1.00 0.00 O ATOM 0 H ASP A 32 40.950 32.652 13.056 1.00 0.00 H new ATOM 0 HA ASP A 32 42.684 34.781 13.140 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.156 33.526 10.811 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.455 34.679 10.581 1.00 0.00 H new ATOM 519 N LYS A 33 39.651 35.752 12.293 1.00 0.00 N ATOM 520 CA LYS A 33 38.825 36.946 12.073 1.00 0.00 C ATOM 521 C LYS A 33 38.461 37.692 13.364 1.00 0.00 C ATOM 522 O LYS A 33 38.470 38.924 13.388 1.00 0.00 O ATOM 523 CB LYS A 33 37.535 36.565 11.353 1.00 0.00 C ATOM 524 CG LYS A 33 37.854 35.832 10.048 1.00 0.00 C ATOM 525 CD LYS A 33 36.558 35.265 9.458 1.00 0.00 C ATOM 526 CE LYS A 33 36.774 34.897 7.989 1.00 0.00 C ATOM 527 NZ LYS A 33 35.502 34.368 7.416 1.00 0.00 N ATOM 0 H LYS A 33 39.131 34.875 12.335 1.00 0.00 H new ATOM 0 HA LYS A 33 39.432 37.619 11.467 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.925 35.930 11.996 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.950 37.460 11.142 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.322 36.515 9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.566 35.027 10.234 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.246 34.385 10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 33 35.757 35.999 9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.101 35.772 7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.563 34.150 7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 35.396 34.704 6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 35.523 33.328 7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 34.699 34.703 7.986 1.00 0.00 H new ATOM 541 N GLU A 34 38.088 36.963 14.422 1.00 0.00 N ATOM 542 CA GLU A 34 37.665 37.603 15.680 1.00 0.00 C ATOM 543 C GLU A 34 38.750 37.584 16.756 1.00 0.00 C ATOM 544 O GLU A 34 38.557 38.144 17.835 1.00 0.00 O ATOM 545 CB GLU A 34 36.422 36.896 16.227 1.00 0.00 C ATOM 546 CG GLU A 34 35.373 36.757 15.123 1.00 0.00 C ATOM 547 CD GLU A 34 34.934 38.136 14.643 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.065 39.078 15.408 1.00 0.00 O ATOM 549 OE2 GLU A 34 34.472 38.230 13.518 1.00 0.00 O ATOM 0 H GLU A 34 38.069 35.943 14.437 1.00 0.00 H new ATOM 0 HA GLU A 34 37.453 38.645 15.442 1.00 0.00 H new ATOM 0 HB2 GLU A 34 36.692 35.912 16.610 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.010 37.461 17.063 1.00 0.00 H new ATOM 0 HG2 GLU A 34 35.784 36.187 14.290 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.512 36.202 15.496 1.00 0.00 H new ATOM 556 N GLY A 35 39.899 36.992 16.467 1.00 0.00 N ATOM 557 CA GLY A 35 40.990 36.974 17.437 1.00 0.00 C ATOM 558 C GLY A 35 40.572 36.396 18.792 1.00 0.00 C ATOM 559 O GLY A 35 41.218 36.669 19.804 1.00 0.00 O ATOM 0 H GLY A 35 40.101 36.524 15.584 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.816 36.387 17.036 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.360 37.989 17.579 1.00 0.00 H new ATOM 563 N ILE A 36 39.500 35.605 18.817 1.00 0.00 N ATOM 564 CA ILE A 36 39.027 35.007 20.060 1.00 0.00 C ATOM 565 C ILE A 36 39.753 33.679 20.334 1.00 0.00 C ATOM 566 O ILE A 36 39.564 32.718 19.586 1.00 0.00 O ATOM 567 CB ILE A 36 37.531 34.748 19.944 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.836 36.084 19.695 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.013 34.130 21.245 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.335 35.866 19.567 1.00 0.00 C ATOM 0 H ILE A 36 38.947 35.366 17.994 1.00 0.00 H new ATOM 0 HA ILE A 36 39.231 35.691 20.884 1.00 0.00 H new ATOM 0 HB ILE A 36 37.328 34.059 19.124 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.045 36.772 20.515 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.225 36.544 18.786 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.942 33.946 21.159 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.529 33.188 21.431 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.198 34.815 22.072 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.842 36.822 19.389 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.135 35.194 18.732 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.951 35.426 20.487 1.00 0.00 H new ATOM 582 N PRO A 37 40.565 33.581 21.374 1.00 0.00 N ATOM 583 CA PRO A 37 41.286 32.313 21.693 1.00 0.00 C ATOM 584 C PRO A 37 40.355 31.083 21.640 1.00 0.00 C ATOM 585 O PRO A 37 39.309 31.076 22.294 1.00 0.00 O ATOM 586 CB PRO A 37 41.807 32.540 23.115 1.00 0.00 C ATOM 587 CG PRO A 37 42.001 34.015 23.205 1.00 0.00 C ATOM 588 CD PRO A 37 40.897 34.639 22.346 1.00 0.00 C ATOM 0 HA PRO A 37 42.076 32.101 20.972 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.095 32.186 23.861 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.741 32.005 23.287 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.931 34.355 24.238 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.988 34.302 22.841 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.031 34.916 22.947 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.242 35.545 21.848 1.00 0.00 H new ATOM 596 N PRO A 38 40.696 30.053 20.889 1.00 0.00 N ATOM 597 CA PRO A 38 39.858 28.822 20.779 1.00 0.00 C ATOM 598 C PRO A 38 39.274 28.372 22.120 1.00 0.00 C ATOM 599 O PRO A 38 38.073 28.132 22.232 1.00 0.00 O ATOM 600 CB PRO A 38 40.828 27.784 20.225 1.00 0.00 C ATOM 601 CG PRO A 38 41.779 28.570 19.389 1.00 0.00 C ATOM 602 CD PRO A 38 41.904 29.942 20.054 1.00 0.00 C ATOM 0 HA PRO A 38 38.983 28.983 20.150 1.00 0.00 H new ATOM 0 HB2 PRO A 38 41.346 27.257 21.027 1.00 0.00 H new ATOM 0 HB3 PRO A 38 40.308 27.031 19.633 1.00 0.00 H new ATOM 0 HG2 PRO A 38 42.749 28.075 19.334 1.00 0.00 H new ATOM 0 HG3 PRO A 38 41.411 28.665 18.367 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.811 30.012 20.655 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.950 30.740 19.313 1.00 0.00 H new ATOM 610 N ASP A 39 40.130 28.251 23.132 1.00 0.00 N ATOM 611 CA ASP A 39 39.679 27.818 24.451 1.00 0.00 C ATOM 612 C ASP A 39 38.635 28.772 25.016 1.00 0.00 C ATOM 613 O ASP A 39 37.794 28.376 25.823 1.00 0.00 O ATOM 614 CB ASP A 39 40.867 27.737 25.414 1.00 0.00 C ATOM 615 CG ASP A 39 41.746 26.541 25.065 1.00 0.00 C ATOM 616 OD1 ASP A 39 41.231 25.600 24.484 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.922 26.584 25.385 1.00 0.00 O ATOM 0 H ASP A 39 41.129 28.444 23.065 1.00 0.00 H new ATOM 0 HA ASP A 39 39.227 26.832 24.342 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.452 28.655 25.360 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.508 27.647 26.439 1.00 0.00 H new ATOM 622 N GLN A 40 38.705 30.029 24.605 1.00 0.00 N ATOM 623 CA GLN A 40 37.768 31.036 25.097 1.00 0.00 C ATOM 624 C GLN A 40 36.471 31.040 24.296 1.00 0.00 C ATOM 625 O GLN A 40 35.471 31.603 24.744 1.00 0.00 O ATOM 626 CB GLN A 40 38.402 32.426 25.018 1.00 0.00 C ATOM 627 CG GLN A 40 39.566 32.511 26.008 1.00 0.00 C ATOM 628 CD GLN A 40 39.036 32.664 27.430 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.967 31.687 28.176 1.00 0.00 O ATOM 630 NE2 GLN A 40 38.657 33.840 27.853 1.00 0.00 N ATOM 0 H GLN A 40 39.393 30.377 23.938 1.00 0.00 H new ATOM 0 HA GLN A 40 37.536 30.785 26.132 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.757 32.619 24.006 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.659 33.190 25.247 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.181 31.614 25.936 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.206 33.357 25.757 1.00 0.00 H new ATOM 0 HE21 GLN A 40 38.715 34.648 27.233 1.00 0.00 H new ATOM 0 HE22 GLN A 40 38.303 33.950 28.803 1.00 0.00 H new ATOM 639 N GLN A 41 36.475 30.427 23.107 1.00 0.00 N ATOM 640 CA GLN A 41 35.289 30.394 22.264 1.00 0.00 C ATOM 641 C GLN A 41 34.496 29.105 22.450 1.00 0.00 C ATOM 642 O GLN A 41 35.066 28.011 22.499 1.00 0.00 O ATOM 643 CB GLN A 41 35.714 30.529 20.797 1.00 0.00 C ATOM 644 CG GLN A 41 34.499 30.353 19.892 1.00 0.00 C ATOM 645 CD GLN A 41 34.810 30.874 18.494 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.622 32.058 18.219 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.282 30.060 17.590 1.00 0.00 N ATOM 0 H GLN A 41 37.286 29.950 22.713 1.00 0.00 H new ATOM 0 HA GLN A 41 34.643 31.223 22.553 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.167 31.506 20.628 1.00 0.00 H new ATOM 0 HB3 GLN A 41 36.470 29.781 20.557 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.221 29.300 19.843 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.645 30.889 20.307 1.00 0.00 H new ATOM 0 HE21 GLN A 41 35.438 29.078 17.819 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.495 30.405 16.654 1.00 0.00 H new ATOM 656 N ARG A 42 33.171 29.250 22.523 1.00 0.00 N ATOM 657 CA ARG A 42 32.267 28.119 22.670 1.00 0.00 C ATOM 658 C ARG A 42 31.248 28.192 21.542 1.00 0.00 C ATOM 659 O ARG A 42 30.561 29.201 21.386 1.00 0.00 O ATOM 660 CB ARG A 42 31.548 28.205 24.026 1.00 0.00 C ATOM 661 CG ARG A 42 32.455 27.672 25.152 1.00 0.00 C ATOM 662 CD ARG A 42 32.291 26.153 25.288 1.00 0.00 C ATOM 663 NE ARG A 42 31.002 25.839 25.897 1.00 0.00 N ATOM 664 CZ ARG A 42 30.839 25.863 27.217 1.00 0.00 C ATOM 665 NH1 ARG A 42 29.676 25.582 27.736 1.00 0.00 N ATOM 666 NH2 ARG A 42 31.843 26.164 27.992 1.00 0.00 N ATOM 0 H ARG A 42 32.701 30.154 22.482 1.00 0.00 H new ATOM 0 HA ARG A 42 32.818 27.179 22.627 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.271 29.239 24.233 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.624 27.628 23.992 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.496 27.915 24.937 1.00 0.00 H new ATOM 0 HG3 ARG A 42 32.202 28.158 26.094 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.363 25.683 24.307 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.098 25.746 25.897 1.00 0.00 H new ATOM 0 HE ARG A 42 30.212 25.597 25.299 1.00 0.00 H new ATOM 0 HH11 ARG A 42 28.891 25.344 27.130 1.00 0.00 H new ATOM 0 HH12 ARG A 42 29.551 25.600 28.748 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.753 26.381 27.586 1.00 0.00 H new ATOM 0 HH22 ARG A 42 31.718 26.183 29.004 1.00 0.00 H new ATOM 680 N LEU A 43 31.158 27.137 20.740 1.00 0.00 N ATOM 681 CA LEU A 43 30.215 27.126 19.620 1.00 0.00 C ATOM 682 C LEU A 43 28.938 26.381 19.983 1.00 0.00 C ATOM 683 O LEU A 43 28.975 25.210 20.375 1.00 0.00 O ATOM 684 CB LEU A 43 30.849 26.464 18.404 1.00 0.00 C ATOM 685 CG LEU A 43 32.183 27.129 18.060 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.690 26.532 16.750 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.998 28.643 17.891 1.00 0.00 C ATOM 0 H LEU A 43 31.716 26.289 20.839 1.00 0.00 H new ATOM 0 HA LEU A 43 29.965 28.161 19.389 1.00 0.00 H new ATOM 0 HB2 LEU A 43 31.006 25.404 18.602 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.172 26.533 17.552 1.00 0.00 H new ATOM 0 HG LEU A 43 32.898 26.955 18.865 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.642 26.992 16.485 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.827 25.457 16.869 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.963 26.720 15.959 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.956 29.102 17.647 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.288 28.835 17.087 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.618 29.069 18.820 1.00 0.00 H new ATOM 699 N ILE A 44 27.807 27.075 19.845 1.00 0.00 N ATOM 700 CA ILE A 44 26.495 26.492 20.163 1.00 0.00 C ATOM 701 C ILE A 44 25.583 26.452 18.936 1.00 0.00 C ATOM 702 O ILE A 44 25.384 27.461 18.252 1.00 0.00 O ATOM 703 CB ILE A 44 25.813 27.330 21.253 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.716 27.435 22.494 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.479 26.688 21.643 1.00 0.00 C ATOM 706 CD1 ILE A 44 27.133 26.045 22.989 1.00 0.00 C ATOM 0 H ILE A 44 27.769 28.040 19.516 1.00 0.00 H new ATOM 0 HA ILE A 44 26.660 25.471 20.507 1.00 0.00 H new ATOM 0 HB ILE A 44 25.634 28.331 20.861 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.603 28.021 22.254 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.189 27.965 23.288 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.999 27.287 22.417 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.830 26.638 20.769 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.657 25.681 22.021 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.771 26.148 23.867 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.245 25.470 23.251 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.681 25.527 22.201 1.00 0.00 H new ATOM 718 N PHE A 45 25.021 25.269 18.679 1.00 0.00 N ATOM 719 CA PHE A 45 24.110 25.069 17.552 1.00 0.00 C ATOM 720 C PHE A 45 23.012 24.088 17.946 1.00 0.00 C ATOM 721 O PHE A 45 23.290 23.017 18.479 1.00 0.00 O ATOM 722 CB PHE A 45 24.873 24.512 16.352 1.00 0.00 C ATOM 723 CG PHE A 45 23.931 24.296 15.196 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.734 25.303 14.245 1.00 0.00 C ATOM 725 CD2 PHE A 45 23.264 23.074 15.071 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.868 25.087 13.167 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.396 22.856 13.995 1.00 0.00 C ATOM 728 CZ PHE A 45 22.198 23.863 13.041 1.00 0.00 C ATOM 0 H PHE A 45 25.182 24.432 19.239 1.00 0.00 H new ATOM 0 HA PHE A 45 23.668 26.029 17.284 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.665 25.203 16.062 1.00 0.00 H new ATOM 0 HB3 PHE A 45 25.353 23.571 16.621 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.250 26.247 14.343 1.00 0.00 H new ATOM 0 HD2 PHE A 45 23.419 22.297 15.805 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.716 25.864 12.432 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.879 21.912 13.900 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.530 23.696 12.209 1.00 0.00 H new ATOM 738 N ALA A 46 21.765 24.463 17.685 1.00 0.00 N ATOM 739 CA ALA A 46 20.635 23.604 18.023 1.00 0.00 C ATOM 740 C ALA A 46 20.707 23.157 19.484 1.00 0.00 C ATOM 741 O ALA A 46 20.304 22.044 19.822 1.00 0.00 O ATOM 742 CB ALA A 46 20.625 22.377 17.111 1.00 0.00 C ATOM 0 H ALA A 46 21.511 25.347 17.245 1.00 0.00 H new ATOM 0 HA ALA A 46 19.717 24.174 17.880 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.779 21.739 17.368 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.536 22.696 16.073 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.552 21.819 17.241 1.00 0.00 H new ATOM 748 N GLY A 47 21.207 24.038 20.345 1.00 0.00 N ATOM 749 CA GLY A 47 21.311 23.734 21.772 1.00 0.00 C ATOM 750 C GLY A 47 22.331 22.630 22.057 1.00 0.00 C ATOM 751 O GLY A 47 22.320 22.038 23.135 1.00 0.00 O ATOM 0 H GLY A 47 21.545 24.964 20.083 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.594 24.636 22.314 1.00 0.00 H new ATOM 0 HA3 GLY A 47 20.334 23.430 22.149 1.00 0.00 H new ATOM 755 N LYS A 48 23.219 22.362 21.096 1.00 0.00 N ATOM 756 CA LYS A 48 24.255 21.332 21.271 1.00 0.00 C ATOM 757 C LYS A 48 25.643 21.917 21.023 1.00 0.00 C ATOM 758 O LYS A 48 25.872 22.563 20.000 1.00 0.00 O ATOM 759 CB LYS A 48 24.030 20.184 20.298 1.00 0.00 C ATOM 760 CG LYS A 48 22.637 19.587 20.506 1.00 0.00 C ATOM 761 CD LYS A 48 22.472 18.355 19.612 1.00 0.00 C ATOM 762 CE LYS A 48 21.044 17.818 19.737 1.00 0.00 C ATOM 763 NZ LYS A 48 20.904 16.587 18.910 1.00 0.00 N ATOM 0 H LYS A 48 23.245 22.838 20.194 1.00 0.00 H new ATOM 0 HA LYS A 48 24.191 20.966 22.296 1.00 0.00 H new ATOM 0 HB2 LYS A 48 24.133 20.540 19.273 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.789 19.416 20.447 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.500 19.312 21.552 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.873 20.327 20.268 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.684 18.615 18.575 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.188 17.585 19.901 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.817 17.597 20.780 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.330 18.573 19.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.934 16.221 18.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 21.104 16.813 17.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.576 15.867 19.243 1.00 0.00 H new ATOM 777 N GLN A 49 26.576 21.675 21.939 1.00 0.00 N ATOM 778 CA GLN A 49 27.930 22.174 21.765 1.00 0.00 C ATOM 779 C GLN A 49 28.659 21.345 20.719 1.00 0.00 C ATOM 780 O GLN A 49 28.651 20.114 20.771 1.00 0.00 O ATOM 781 CB GLN A 49 28.694 22.110 23.086 1.00 0.00 C ATOM 782 CG GLN A 49 29.999 22.897 22.953 1.00 0.00 C ATOM 783 CD GLN A 49 30.863 22.689 24.191 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.341 22.480 25.285 1.00 0.00 O ATOM 785 NE2 GLN A 49 32.162 22.733 24.083 1.00 0.00 N ATOM 0 H GLN A 49 26.420 21.144 22.796 1.00 0.00 H new ATOM 0 HA GLN A 49 27.876 23.211 21.434 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.087 22.524 23.891 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.906 21.073 23.347 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.540 22.573 22.064 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.782 23.958 22.825 1.00 0.00 H new ATOM 0 HE21 GLN A 49 32.593 22.906 23.175 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.747 22.594 24.907 1.00 0.00 H new ATOM 794 N LEU A 50 29.265 22.018 19.754 1.00 0.00 N ATOM 795 CA LEU A 50 29.963 21.318 18.686 1.00 0.00 C ATOM 796 C LEU A 50 31.190 20.592 19.229 1.00 0.00 C ATOM 797 O LEU A 50 31.964 21.151 20.005 1.00 0.00 O ATOM 798 CB LEU A 50 30.366 22.310 17.595 1.00 0.00 C ATOM 799 CG LEU A 50 29.128 22.714 16.777 1.00 0.00 C ATOM 800 CD1 LEU A 50 28.144 23.493 17.659 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.559 23.597 15.606 1.00 0.00 C ATOM 0 H LEU A 50 29.289 23.036 19.687 1.00 0.00 H new ATOM 0 HA LEU A 50 29.293 20.573 18.258 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.821 23.193 18.043 1.00 0.00 H new ATOM 0 HB3 LEU A 50 31.115 21.862 16.942 1.00 0.00 H new ATOM 0 HG LEU A 50 28.640 21.813 16.404 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.271 23.774 17.070 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.831 22.868 18.495 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.629 24.392 18.040 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.683 23.884 15.025 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.051 24.492 15.987 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.251 23.045 14.970 1.00 0.00 H new ATOM 813 N GLU A 51 31.347 19.332 18.818 1.00 0.00 N ATOM 814 CA GLU A 51 32.460 18.507 19.258 1.00 0.00 C ATOM 815 C GLU A 51 33.773 18.945 18.609 1.00 0.00 C ATOM 816 O GLU A 51 33.842 19.137 17.395 1.00 0.00 O ATOM 817 CB GLU A 51 32.166 17.046 18.918 1.00 0.00 C ATOM 818 CG GLU A 51 33.018 16.134 19.792 1.00 0.00 C ATOM 819 CD GLU A 51 32.863 14.686 19.339 1.00 0.00 C ATOM 820 OE1 GLU A 51 31.793 14.136 19.542 1.00 0.00 O ATOM 821 OE2 GLU A 51 33.812 14.149 18.792 1.00 0.00 O ATOM 0 H GLU A 51 30.708 18.863 18.176 1.00 0.00 H new ATOM 0 HA GLU A 51 32.573 18.622 20.336 1.00 0.00 H new ATOM 0 HB2 GLU A 51 31.109 16.832 19.074 1.00 0.00 H new ATOM 0 HB3 GLU A 51 32.377 16.858 17.865 1.00 0.00 H new ATOM 0 HG2 GLU A 51 34.065 16.433 19.732 1.00 0.00 H new ATOM 0 HG3 GLU A 51 32.718 16.232 20.835 1.00 0.00 H new ATOM 828 N ASP A 52 34.802 19.102 19.430 1.00 0.00 N ATOM 829 CA ASP A 52 36.105 19.530 18.955 1.00 0.00 C ATOM 830 C ASP A 52 36.732 18.540 17.962 1.00 0.00 C ATOM 831 O ASP A 52 37.953 18.510 17.823 1.00 0.00 O ATOM 832 CB ASP A 52 37.052 19.695 20.147 1.00 0.00 C ATOM 833 CG ASP A 52 36.499 20.732 21.117 1.00 0.00 C ATOM 834 OD1 ASP A 52 35.415 21.232 20.863 1.00 0.00 O ATOM 835 OD2 ASP A 52 37.167 21.012 22.099 1.00 0.00 O ATOM 0 H ASP A 52 34.756 18.937 20.436 1.00 0.00 H new ATOM 0 HA ASP A 52 35.958 20.476 18.433 1.00 0.00 H new ATOM 0 HB2 ASP A 52 37.177 18.740 20.657 1.00 0.00 H new ATOM 0 HB3 ASP A 52 38.038 20.002 19.798 1.00 0.00 H new ATOM 840 N GLY A 53 35.922 17.731 17.266 1.00 0.00 N ATOM 841 CA GLY A 53 36.500 16.779 16.315 1.00 0.00 C ATOM 842 C GLY A 53 35.473 16.164 15.357 1.00 0.00 C ATOM 843 O GLY A 53 35.745 15.125 14.756 1.00 0.00 O ATOM 0 H GLY A 53 34.905 17.715 17.339 1.00 0.00 H new ATOM 0 HA2 GLY A 53 37.271 17.284 15.732 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.992 15.979 16.869 1.00 0.00 H new ATOM 847 N ARG A 54 34.306 16.795 15.193 1.00 0.00 N ATOM 848 CA ARG A 54 33.282 16.262 14.277 1.00 0.00 C ATOM 849 C ARG A 54 33.246 17.058 12.974 1.00 0.00 C ATOM 850 O ARG A 54 33.881 18.109 12.852 1.00 0.00 O ATOM 851 CB ARG A 54 31.897 16.303 14.943 1.00 0.00 C ATOM 852 CG ARG A 54 31.763 15.166 15.972 1.00 0.00 C ATOM 853 CD ARG A 54 31.340 13.858 15.285 1.00 0.00 C ATOM 854 NE ARG A 54 31.071 12.833 16.288 1.00 0.00 N ATOM 855 CZ ARG A 54 30.837 11.571 15.937 1.00 0.00 C ATOM 856 NH1 ARG A 54 30.606 10.672 16.854 1.00 0.00 N ATOM 857 NH2 ARG A 54 30.837 11.235 14.676 1.00 0.00 N ATOM 0 H ARG A 54 34.046 17.658 15.670 1.00 0.00 H new ATOM 0 HA ARG A 54 33.543 15.229 14.048 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.751 17.265 15.434 1.00 0.00 H new ATOM 0 HB3 ARG A 54 31.119 16.210 14.185 1.00 0.00 H new ATOM 0 HG2 ARG A 54 32.713 15.021 16.487 1.00 0.00 H new ATOM 0 HG3 ARG A 54 31.028 15.439 16.729 1.00 0.00 H new ATOM 0 HD2 ARG A 54 30.450 14.027 14.678 1.00 0.00 H new ATOM 0 HD3 ARG A 54 32.127 13.521 14.610 1.00 0.00 H new ATOM 0 HE ARG A 54 31.062 13.088 17.275 1.00 0.00 H new ATOM 0 HH11 ARG A 54 30.605 10.937 17.839 1.00 0.00 H new ATOM 0 HH12 ARG A 54 30.427 9.704 16.586 1.00 0.00 H new ATOM 0 HH21 ARG A 54 31.016 11.939 13.960 1.00 0.00 H new ATOM 0 HH22 ARG A 54 30.658 10.268 14.406 1.00 0.00 H new ATOM 871 N THR A 55 32.489 16.540 12.002 1.00 0.00 N ATOM 872 CA THR A 55 32.346 17.189 10.699 1.00 0.00 C ATOM 873 C THR A 55 30.998 17.898 10.610 1.00 0.00 C ATOM 874 O THR A 55 29.995 17.437 11.175 1.00 0.00 O ATOM 875 CB THR A 55 32.440 16.145 9.581 1.00 0.00 C ATOM 876 OG1 THR A 55 31.561 15.065 9.869 1.00 0.00 O ATOM 877 CG2 THR A 55 33.876 15.624 9.482 1.00 0.00 C ATOM 0 H THR A 55 31.965 15.670 12.095 1.00 0.00 H new ATOM 0 HA THR A 55 33.147 17.919 10.585 1.00 0.00 H new ATOM 0 HB THR A 55 32.157 16.603 8.633 1.00 0.00 H new ATOM 0 HG1 THR A 55 31.619 14.397 9.154 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.940 14.882 8.686 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.549 16.452 9.261 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.163 15.166 10.429 1.00 0.00 H new ATOM 885 N LEU A 56 30.954 19.006 9.876 1.00 0.00 N ATOM 886 CA LEU A 56 29.708 19.722 9.722 1.00 0.00 C ATOM 887 C LEU A 56 28.663 18.794 9.118 1.00 0.00 C ATOM 888 O LEU A 56 27.492 18.859 9.478 1.00 0.00 O ATOM 889 CB LEU A 56 29.907 20.954 8.836 1.00 0.00 C ATOM 890 CG LEU A 56 30.596 22.072 9.636 1.00 0.00 C ATOM 891 CD1 LEU A 56 32.058 21.696 9.913 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.549 23.363 8.821 1.00 0.00 C ATOM 0 H LEU A 56 31.753 19.415 9.391 1.00 0.00 H new ATOM 0 HA LEU A 56 29.364 20.059 10.700 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.510 20.693 7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.944 21.303 8.463 1.00 0.00 H new ATOM 0 HG LEU A 56 30.080 22.210 10.586 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.538 22.494 10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.093 20.771 10.488 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.583 21.556 8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.035 24.163 9.379 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.067 23.214 7.874 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.511 23.634 8.628 1.00 0.00 H new ATOM 904 N SER A 57 29.082 17.935 8.185 1.00 0.00 N ATOM 905 CA SER A 57 28.156 17.009 7.532 1.00 0.00 C ATOM 906 C SER A 57 27.250 16.324 8.548 1.00 0.00 C ATOM 907 O SER A 57 26.055 16.130 8.293 1.00 0.00 O ATOM 908 CB SER A 57 28.943 15.949 6.758 1.00 0.00 C ATOM 909 OG SER A 57 29.628 16.570 5.677 1.00 0.00 O ATOM 0 H SER A 57 30.049 17.862 7.867 1.00 0.00 H new ATOM 0 HA SER A 57 27.533 17.584 6.847 1.00 0.00 H new ATOM 0 HB2 SER A 57 29.655 15.453 7.418 1.00 0.00 H new ATOM 0 HB3 SER A 57 28.268 15.180 6.382 1.00 0.00 H new ATOM 0 HG SER A 57 30.135 15.895 5.180 1.00 0.00 H new ATOM 915 N ASP A 58 27.810 15.983 9.705 1.00 0.00 N ATOM 916 CA ASP A 58 27.021 15.352 10.748 1.00 0.00 C ATOM 917 C ASP A 58 25.960 16.335 11.210 1.00 0.00 C ATOM 918 O ASP A 58 24.819 15.966 11.507 1.00 0.00 O ATOM 919 CB ASP A 58 27.912 14.954 11.931 1.00 0.00 C ATOM 920 CG ASP A 58 28.845 13.813 11.533 1.00 0.00 C ATOM 921 OD1 ASP A 58 28.514 13.100 10.600 1.00 0.00 O ATOM 922 OD2 ASP A 58 29.877 13.670 12.168 1.00 0.00 O ATOM 0 H ASP A 58 28.792 16.132 9.938 1.00 0.00 H new ATOM 0 HA ASP A 58 26.554 14.449 10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 58 28.497 15.813 12.259 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.293 14.649 12.775 1.00 0.00 H new ATOM 927 N TYR A 59 26.359 17.601 11.256 1.00 0.00 N ATOM 928 CA TYR A 59 25.464 18.672 11.677 1.00 0.00 C ATOM 929 C TYR A 59 24.556 19.135 10.528 1.00 0.00 C ATOM 930 O TYR A 59 23.592 19.867 10.754 1.00 0.00 O ATOM 931 CB TYR A 59 26.299 19.853 12.173 1.00 0.00 C ATOM 932 CG TYR A 59 26.899 19.528 13.526 1.00 0.00 C ATOM 933 CD1 TYR A 59 28.224 19.080 13.618 1.00 0.00 C ATOM 934 CD2 TYR A 59 26.130 19.675 14.688 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.777 18.777 14.868 1.00 0.00 C ATOM 936 CE2 TYR A 59 26.684 19.372 15.939 1.00 0.00 C ATOM 937 CZ TYR A 59 28.006 18.923 16.028 1.00 0.00 C ATOM 938 OH TYR A 59 28.550 18.620 17.260 1.00 0.00 O ATOM 0 H TYR A 59 27.298 17.911 11.006 1.00 0.00 H new ATOM 0 HA TYR A 59 24.827 18.292 12.475 1.00 0.00 H new ATOM 0 HB2 TYR A 59 27.091 20.075 11.458 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.676 20.745 12.246 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.819 18.968 12.724 1.00 0.00 H new ATOM 0 HD2 TYR A 59 25.110 20.022 14.619 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.798 18.431 14.938 1.00 0.00 H new ATOM 0 HE2 TYR A 59 26.091 19.485 16.834 1.00 0.00 H new ATOM 0 HH TYR A 59 27.882 18.777 17.960 1.00 0.00 H new ATOM 948 N ASN A 60 24.859 18.710 9.300 1.00 0.00 N ATOM 949 CA ASN A 60 24.045 19.103 8.149 1.00 0.00 C ATOM 950 C ASN A 60 22.743 18.314 8.123 1.00 0.00 C ATOM 951 O ASN A 60 21.655 18.882 7.995 1.00 0.00 O ATOM 952 CB ASN A 60 24.806 18.869 6.839 1.00 0.00 C ATOM 953 CG ASN A 60 23.914 19.223 5.651 1.00 0.00 C ATOM 954 OD1 ASN A 60 23.059 18.429 5.257 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.061 20.375 5.053 1.00 0.00 N ATOM 0 H ASN A 60 25.649 18.104 9.079 1.00 0.00 H new ATOM 0 HA ASN A 60 23.822 20.166 8.245 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.711 19.477 6.820 1.00 0.00 H new ATOM 0 HB3 ASN A 60 25.120 17.827 6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.468 20.617 4.260 1.00 0.00 H new ATOM 0 HD22 ASN A 60 24.769 21.032 5.380 1.00 0.00 H new ATOM 962 N ILE A 61 22.846 16.998 8.267 1.00 0.00 N ATOM 963 CA ILE A 61 21.642 16.164 8.269 1.00 0.00 C ATOM 964 C ILE A 61 20.611 16.774 9.216 1.00 0.00 C ATOM 965 O ILE A 61 19.463 17.026 8.839 1.00 0.00 O ATOM 966 CB ILE A 61 21.993 14.740 8.713 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.882 14.087 7.652 1.00 0.00 C ATOM 968 CG2 ILE A 61 20.713 13.922 8.883 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.509 12.814 8.225 1.00 0.00 C ATOM 0 H ILE A 61 23.724 16.492 8.381 1.00 0.00 H new ATOM 0 HA ILE A 61 21.226 16.120 7.263 1.00 0.00 H new ATOM 0 HB ILE A 61 22.523 14.776 9.665 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.294 13.848 6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.662 14.781 7.339 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.967 12.910 9.199 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.080 14.389 9.637 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.178 13.882 7.934 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.142 12.349 7.470 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.111 13.066 9.098 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.721 12.119 8.516 1.00 0.00 H new ATOM 981 N GLN A 62 21.046 17.011 10.446 1.00 0.00 N ATOM 982 CA GLN A 62 20.183 17.598 11.458 1.00 0.00 C ATOM 983 C GLN A 62 19.916 19.070 11.131 1.00 0.00 C ATOM 984 O GLN A 62 19.988 19.931 12.009 1.00 0.00 O ATOM 985 CB GLN A 62 20.860 17.494 12.831 1.00 0.00 C ATOM 986 CG GLN A 62 21.086 16.022 13.188 1.00 0.00 C ATOM 987 CD GLN A 62 21.680 15.910 14.589 1.00 0.00 C ATOM 988 OE1 GLN A 62 20.960 16.027 15.580 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.959 15.692 14.731 1.00 0.00 N ATOM 0 H GLN A 62 21.992 16.805 10.766 1.00 0.00 H new ATOM 0 HA GLN A 62 19.236 17.059 11.474 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.812 18.025 12.818 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.239 17.971 13.590 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.142 15.479 13.140 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.756 15.562 12.462 1.00 0.00 H new ATOM 0 HE21 GLN A 62 23.554 15.595 13.908 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.363 15.618 15.665 1.00 0.00 H new ATOM 998 N LYS A 63 19.596 19.353 9.863 1.00 0.00 N ATOM 999 CA LYS A 63 19.300 20.722 9.439 1.00 0.00 C ATOM 1000 C LYS A 63 17.872 21.136 9.829 1.00 0.00 C ATOM 1001 O LYS A 63 17.062 21.482 8.963 1.00 0.00 O ATOM 1002 CB LYS A 63 19.485 20.866 7.919 1.00 0.00 C ATOM 1003 CG LYS A 63 18.817 19.692 7.193 1.00 0.00 C ATOM 1004 CD LYS A 63 18.605 20.042 5.716 1.00 0.00 C ATOM 1005 CE LYS A 63 17.865 18.895 5.025 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.902 19.094 3.548 1.00 0.00 N ATOM 0 H LYS A 63 19.536 18.657 9.120 1.00 0.00 H new ATOM 0 HA LYS A 63 19.999 21.382 9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.052 21.807 7.580 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.547 20.897 7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.438 18.800 7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.860 19.461 7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.032 20.965 5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.565 20.215 5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.326 17.942 5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.832 18.854 5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.399 18.314 3.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.443 19.996 3.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.890 19.112 3.225 1.00 0.00 H new ATOM 1020 N GLU A 64 17.570 21.102 11.123 1.00 0.00 N ATOM 1021 CA GLU A 64 16.232 21.467 11.593 1.00 0.00 C ATOM 1022 C GLU A 64 15.851 22.840 11.044 1.00 0.00 C ATOM 1023 O GLU A 64 14.689 23.100 10.735 1.00 0.00 O ATOM 1024 CB GLU A 64 16.222 21.520 13.127 1.00 0.00 C ATOM 1025 CG GLU A 64 16.548 20.137 13.702 1.00 0.00 C ATOM 1026 CD GLU A 64 16.638 20.211 15.224 1.00 0.00 C ATOM 1027 OE1 GLU A 64 17.619 20.745 15.717 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.725 19.733 15.875 1.00 0.00 O ATOM 0 H GLU A 64 18.222 20.830 11.859 1.00 0.00 H new ATOM 0 HA GLU A 64 15.516 20.722 11.246 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.951 22.250 13.479 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.245 21.849 13.481 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.779 19.422 13.410 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.491 19.777 13.291 1.00 0.00 H new HETATM 1035 N SEP A 65 16.845 23.713 10.920 1.00 0.00 N HETATM 1036 CA SEP A 65 16.637 25.065 10.393 1.00 0.00 C HETATM 1037 CB SEP A 65 16.810 26.094 11.504 1.00 0.00 C HETATM 1038 OG SEP A 65 16.411 27.372 11.029 1.00 0.00 O HETATM 1039 C SEP A 65 17.639 25.333 9.276 1.00 0.00 C HETATM 1040 O SEP A 65 18.028 24.417 8.551 1.00 0.00 O HETATM 1041 P SEP A 65 16.651 28.616 11.898 1.00 0.00 P HETATM 1042 O1P SEP A 65 15.357 29.487 11.747 1.00 0.00 O HETATM 1043 O2P SEP A 65 17.931 29.296 11.300 1.00 0.00 O HETATM 1044 O3P SEP A 65 16.863 28.066 13.349 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.212 25.813 12.371 1.00 0.00 H new HETATM 0 HB2 SEP A 65 17.850 26.123 11.829 1.00 0.00 H new HETATM 0 HA SEP A 65 15.624 25.144 9.998 1.00 0.00 H new ATOM 1049 N THR A 66 18.072 26.586 9.149 1.00 0.00 N ATOM 1050 CA THR A 66 19.059 26.953 8.129 1.00 0.00 C ATOM 1051 C THR A 66 20.442 26.961 8.758 1.00 0.00 C ATOM 1052 O THR A 66 20.570 26.707 9.956 1.00 0.00 O ATOM 1053 CB THR A 66 18.726 28.342 7.555 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.144 29.147 8.572 1.00 0.00 O ATOM 1055 CG2 THR A 66 17.742 28.187 6.397 1.00 0.00 C ATOM 0 H THR A 66 17.759 27.361 9.734 1.00 0.00 H new ATOM 0 HA THR A 66 19.036 26.228 7.316 1.00 0.00 H new ATOM 0 HB THR A 66 19.638 28.819 7.195 1.00 0.00 H new ATOM 0 HG1 THR A 66 17.933 30.032 8.208 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.504 29.169 5.988 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.190 27.569 5.619 1.00 0.00 H new ATOM 0 HG23 THR A 66 16.829 27.713 6.756 1.00 0.00 H new ATOM 1063 N LEU A 67 21.482 27.228 7.965 1.00 0.00 N ATOM 1064 CA LEU A 67 22.840 27.223 8.479 1.00 0.00 C ATOM 1065 C LEU A 67 23.159 28.532 9.194 1.00 0.00 C ATOM 1066 O LEU A 67 23.530 29.532 8.575 1.00 0.00 O ATOM 1067 CB LEU A 67 23.813 27.034 7.303 1.00 0.00 C ATOM 1068 CG LEU A 67 23.823 25.570 6.843 1.00 0.00 C ATOM 1069 CD1 LEU A 67 22.389 25.068 6.646 1.00 0.00 C ATOM 1070 CD2 LEU A 67 24.578 25.453 5.512 1.00 0.00 C ATOM 0 H LEU A 67 21.404 27.448 6.972 1.00 0.00 H new ATOM 0 HA LEU A 67 22.943 26.408 9.196 1.00 0.00 H new ATOM 0 HB2 LEU A 67 23.521 27.680 6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.817 27.334 7.602 1.00 0.00 H new ATOM 0 HG LEU A 67 24.317 24.967 7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.409 24.028 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.845 25.142 7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.891 25.676 5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.584 24.413 5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.084 26.066 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 67 25.604 25.798 5.644 1.00 0.00 H new ATOM 1082 N HIS A 68 23.037 28.492 10.513 1.00 0.00 N ATOM 1083 CA HIS A 68 23.323 29.646 11.352 1.00 0.00 C ATOM 1084 C HIS A 68 23.964 29.172 12.644 1.00 0.00 C ATOM 1085 O HIS A 68 23.435 28.298 13.331 1.00 0.00 O ATOM 1086 CB HIS A 68 22.035 30.407 11.661 1.00 0.00 C ATOM 1087 CG HIS A 68 21.111 29.519 12.446 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.059 28.148 12.248 1.00 0.00 N ATOM 1089 CD2 HIS A 68 20.194 29.792 13.430 1.00 0.00 C ATOM 1090 CE1 HIS A 68 20.139 27.651 13.095 1.00 0.00 C ATOM 1091 NE2 HIS A 68 19.581 28.611 13.839 1.00 0.00 N ATOM 0 H HIS A 68 22.739 27.664 11.029 1.00 0.00 H new ATOM 0 HA HIS A 68 24.004 30.315 10.826 1.00 0.00 H new ATOM 0 HB2 HIS A 68 22.260 31.310 12.228 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.555 30.723 10.735 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.981 30.774 13.827 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.883 26.604 13.165 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.861 28.502 14.553 1.00 0.00 H new ATOM 1100 N LEU A 69 25.119 29.739 12.961 1.00 0.00 N ATOM 1101 CA LEU A 69 25.859 29.365 14.163 1.00 0.00 C ATOM 1102 C LEU A 69 25.887 30.521 15.151 1.00 0.00 C ATOM 1103 O LEU A 69 26.040 31.678 14.758 1.00 0.00 O ATOM 1104 CB LEU A 69 27.289 28.984 13.751 1.00 0.00 C ATOM 1105 CG LEU A 69 28.156 28.696 14.984 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.510 27.593 15.831 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.543 28.243 14.522 1.00 0.00 C ATOM 0 H LEU A 69 25.568 30.464 12.401 1.00 0.00 H new ATOM 0 HA LEU A 69 25.372 28.520 14.649 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.264 28.106 13.106 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.732 29.793 13.171 1.00 0.00 H new ATOM 0 HG LEU A 69 28.243 29.599 15.588 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.131 27.394 16.704 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.521 27.916 16.155 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.418 26.684 15.236 1.00 0.00 H new ATOM 0 HD21 LEU A 69 30.167 28.036 15.392 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.449 27.339 13.920 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.003 29.031 13.925 1.00 0.00 H new ATOM 1119 N VAL A 70 25.761 30.201 16.442 1.00 0.00 N ATOM 1120 CA VAL A 70 25.799 31.217 17.480 1.00 0.00 C ATOM 1121 C VAL A 70 27.167 31.206 18.141 1.00 0.00 C ATOM 1122 O VAL A 70 27.637 30.165 18.615 1.00 0.00 O ATOM 1123 CB VAL A 70 24.712 30.950 18.522 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.906 31.873 19.730 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.349 31.226 17.892 1.00 0.00 C ATOM 0 H VAL A 70 25.633 29.249 16.785 1.00 0.00 H new ATOM 0 HA VAL A 70 25.618 32.195 17.034 1.00 0.00 H new ATOM 0 HB VAL A 70 24.772 29.913 18.853 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.128 31.676 20.467 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.883 31.688 20.176 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.845 32.912 19.407 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.565 31.039 18.625 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.302 32.265 17.567 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.206 30.571 17.033 1.00 0.00 H new ATOM 1135 N LEU A 71 27.809 32.372 18.161 1.00 0.00 N ATOM 1136 CA LEU A 71 29.138 32.495 18.755 1.00 0.00 C ATOM 1137 C LEU A 71 29.056 32.974 20.200 1.00 0.00 C ATOM 1138 O LEU A 71 28.554 34.063 20.478 1.00 0.00 O ATOM 1139 CB LEU A 71 29.996 33.480 17.932 1.00 0.00 C ATOM 1140 CG LEU A 71 31.480 33.056 17.977 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.751 31.976 16.914 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.372 34.274 17.711 1.00 0.00 C ATOM 0 H LEU A 71 27.434 33.239 17.776 1.00 0.00 H new ATOM 0 HA LEU A 71 29.601 31.508 18.746 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.647 33.503 16.899 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.886 34.489 18.328 1.00 0.00 H new ATOM 0 HG LEU A 71 31.704 32.650 18.963 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.800 31.683 16.953 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.124 31.107 17.110 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.521 32.373 15.925 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.419 33.972 17.743 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.143 34.685 16.728 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.189 35.032 18.473 1.00 0.00 H new ATOM 1154 N ARG A 72 29.573 32.156 21.109 1.00 0.00 N ATOM 1155 CA ARG A 72 29.587 32.484 22.533 1.00 0.00 C ATOM 1156 C ARG A 72 31.017 32.362 23.053 1.00 0.00 C ATOM 1157 O ARG A 72 31.819 31.611 22.501 1.00 0.00 O ATOM 1158 CB ARG A 72 28.670 31.505 23.294 1.00 0.00 C ATOM 1159 CG ARG A 72 27.246 32.075 23.391 1.00 0.00 C ATOM 1160 CD ARG A 72 26.286 30.988 23.877 1.00 0.00 C ATOM 1161 NE ARG A 72 24.980 31.564 24.183 1.00 0.00 N ATOM 1162 CZ ARG A 72 24.026 30.838 24.757 1.00 0.00 C ATOM 1163 NH1 ARG A 72 22.867 31.376 25.021 1.00 0.00 N ATOM 1164 NH2 ARG A 72 24.247 29.587 25.055 1.00 0.00 N ATOM 0 H ARG A 72 29.992 31.253 20.885 1.00 0.00 H new ATOM 0 HA ARG A 72 29.227 33.501 22.685 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.650 30.543 22.783 1.00 0.00 H new ATOM 0 HB3 ARG A 72 29.067 31.327 24.293 1.00 0.00 H new ATOM 0 HG2 ARG A 72 27.229 32.922 24.077 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.926 32.447 22.418 1.00 0.00 H new ATOM 0 HD2 ARG A 72 26.181 30.218 23.113 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.694 30.503 24.764 1.00 0.00 H new ATOM 0 HE ARG A 72 24.796 32.540 23.952 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.693 32.353 24.787 1.00 0.00 H new ATOM 0 HH12 ARG A 72 22.135 30.819 25.461 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.152 29.166 24.847 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.514 29.031 25.495 1.00 0.00 H new ATOM 1178 N LEU A 73 31.333 33.101 24.115 1.00 0.00 N ATOM 1179 CA LEU A 73 32.675 33.068 24.707 1.00 0.00 C ATOM 1180 C LEU A 73 32.595 32.686 26.185 1.00 0.00 C ATOM 1181 O LEU A 73 31.548 32.834 26.819 1.00 0.00 O ATOM 1182 CB LEU A 73 33.355 34.447 24.553 1.00 0.00 C ATOM 1183 CG LEU A 73 32.302 35.566 24.586 1.00 0.00 C ATOM 1184 CD1 LEU A 73 31.551 35.550 25.929 1.00 0.00 C ATOM 1185 CD2 LEU A 73 32.996 36.917 24.407 1.00 0.00 C ATOM 0 H LEU A 73 30.681 33.730 24.585 1.00 0.00 H new ATOM 0 HA LEU A 73 33.269 32.318 24.184 1.00 0.00 H new ATOM 0 HB2 LEU A 73 34.079 34.595 25.355 1.00 0.00 H new ATOM 0 HB3 LEU A 73 33.907 34.485 23.614 1.00 0.00 H new ATOM 0 HG LEU A 73 31.587 35.407 23.779 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.808 36.347 25.940 1.00 0.00 H new ATOM 0 HD12 LEU A 73 31.053 34.589 26.056 1.00 0.00 H new ATOM 0 HD13 LEU A 73 32.259 35.703 26.744 1.00 0.00 H new ATOM 0 HD21 LEU A 73 32.253 37.714 24.430 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.714 37.067 25.214 1.00 0.00 H new ATOM 0 HD23 LEU A 73 33.517 36.934 23.450 1.00 0.00 H new ATOM 1197 N ARG A 74 33.705 32.193 26.723 1.00 0.00 N ATOM 1198 CA ARG A 74 33.753 31.796 28.125 1.00 0.00 C ATOM 1199 C ARG A 74 33.859 33.022 29.028 1.00 0.00 C ATOM 1200 O ARG A 74 34.256 34.101 28.584 1.00 0.00 O ATOM 1201 CB ARG A 74 34.952 30.876 28.371 1.00 0.00 C ATOM 1202 CG ARG A 74 34.756 29.565 27.610 1.00 0.00 C ATOM 1203 CD ARG A 74 35.879 28.588 27.973 1.00 0.00 C ATOM 1204 NE ARG A 74 35.698 28.095 29.333 1.00 0.00 N ATOM 1205 CZ ARG A 74 36.522 27.189 29.851 1.00 0.00 C ATOM 1206 NH1 ARG A 74 36.343 26.770 31.075 1.00 0.00 N ATOM 1207 NH2 ARG A 74 37.507 26.716 29.137 1.00 0.00 N ATOM 0 H ARG A 74 34.578 32.059 26.213 1.00 0.00 H new ATOM 0 HA ARG A 74 32.832 31.263 28.360 1.00 0.00 H new ATOM 0 HB2 ARG A 74 35.871 31.364 28.045 1.00 0.00 H new ATOM 0 HB3 ARG A 74 35.058 30.677 29.437 1.00 0.00 H new ATOM 0 HG2 ARG A 74 33.788 29.130 27.858 1.00 0.00 H new ATOM 0 HG3 ARG A 74 34.756 29.752 26.536 1.00 0.00 H new ATOM 0 HD2 ARG A 74 35.884 27.752 27.273 1.00 0.00 H new ATOM 0 HD3 ARG A 74 36.845 29.084 27.884 1.00 0.00 H new ATOM 0 HE ARG A 74 34.926 28.451 29.897 1.00 0.00 H new ATOM 0 HH11 ARG A 74 35.572 27.138 31.632 1.00 0.00 H new ATOM 0 HH12 ARG A 74 36.974 26.075 31.474 1.00 0.00 H new ATOM 0 HH21 ARG A 74 37.646 27.041 28.180 1.00 0.00 H new ATOM 0 HH22 ARG A 74 38.138 26.021 29.536 1.00 0.00 H new ATOM 1221 N GLY A 75 33.506 32.848 30.297 1.00 0.00 N ATOM 1222 CA GLY A 75 33.567 33.946 31.257 1.00 0.00 C ATOM 1223 C GLY A 75 32.436 34.941 31.020 1.00 0.00 C ATOM 1224 O GLY A 75 31.643 35.219 31.921 1.00 0.00 O ATOM 0 H GLY A 75 33.177 31.964 30.684 1.00 0.00 H new ATOM 0 HA2 GLY A 75 33.503 33.551 32.271 1.00 0.00 H new ATOM 0 HA3 GLY A 75 34.527 34.455 31.173 1.00 0.00 H new ATOM 1228 N GLY A 76 32.370 35.476 29.806 1.00 0.00 N ATOM 1229 CA GLY A 76 31.332 36.443 29.465 1.00 0.00 C ATOM 1230 C GLY A 76 31.243 37.538 30.521 1.00 0.00 C ATOM 1231 O GLY A 76 32.261 38.151 30.798 1.00 0.00 O ATOM 1232 OXT GLY A 76 30.158 37.749 31.038 1.00 0.00 O ATOM 0 H GLY A 76 33.016 35.259 29.047 1.00 0.00 H new ATOM 0 HA2 GLY A 76 31.547 36.886 28.493 1.00 0.00 H new ATOM 0 HA3 GLY A 76 30.371 35.936 29.379 1.00 0.00 H new TER 1236 GLY A 76