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 55 THR OG1 : rot 125:sc= 0.166 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.155 USER MOD Set 2.1: A 22 THR OG1 : rot -52:sc= -0.0542 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.0399 K(o=-0.094,f=-1.7!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -138:sc= 1.57 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.97 USER MOD Single : A 1 MET CE :methyl 171:sc= -0.0101 (180deg=-0.127) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.34 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.01) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 1.98 (180deg=1.61) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.8 X(o=-0.8,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= 0.615 K(o=0.61,f=-0.96) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.233 USER MOD Single : A 60 ASN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -0.0557 (180deg=-0.458) USER MOD Single : A 65 SER OG : rot -128:sc= 0.0494 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.578 -6.745 -5.103 1.00 9.67 N ATOM 2 CA MET A 1 11.475 -6.692 -3.595 1.00 10.38 C ATOM 3 C MET A 1 10.125 -7.254 -3.163 1.00 9.62 C ATOM 4 O MET A 1 9.101 -6.810 -3.658 1.00 9.62 O ATOM 5 CB MET A 1 11.658 -5.210 -3.075 1.00 13.77 C ATOM 6 CG MET A 1 11.662 -5.074 -1.564 1.00 16.29 C ATOM 7 SD MET A 1 12.274 -3.480 -0.987 1.00 17.17 S ATOM 8 CE MET A 1 10.770 -2.544 -1.420 1.00 16.11 C ATOM 0 H1 MET A 1 12.575 -6.659 -5.386 1.00 9.67 H new ATOM 0 H2 MET A 1 11.198 -7.650 -5.445 1.00 9.67 H new ATOM 0 H3 MET A 1 11.032 -5.962 -5.516 1.00 9.67 H new ATOM 0 HA MET A 1 12.270 -7.297 -3.159 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.595 -4.813 -3.466 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.856 -4.593 -3.481 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.648 -5.222 -1.191 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.277 -5.866 -1.137 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.838 -1.536 -1.010 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.675 -2.489 -2.504 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.897 -3.046 -1.004 1.00 16.11 H new ATOM 20 N GLN A 2 10.101 -8.265 -2.283 1.00 9.27 N ATOM 21 CA GLN A 2 8.847 -8.786 -1.697 1.00 9.07 C ATOM 22 C GLN A 2 8.434 -8.022 -0.463 1.00 8.72 C ATOM 23 O GLN A 2 9.217 -7.849 0.464 1.00 8.22 O ATOM 24 CB GLN A 2 9.068 -10.295 -1.358 1.00 14.46 C ATOM 25 CG GLN A 2 8.018 -10.912 -0.425 1.00 17.01 C ATOM 26 CD GLN A 2 8.323 -12.339 -0.025 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.975 -13.117 -0.759 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.936 -12.639 1.190 1.00 19.49 N ATOM 0 H GLN A 2 10.940 -8.745 -1.956 1.00 9.27 H new ATOM 0 HA GLN A 2 8.039 -8.665 -2.418 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.083 -10.862 -2.289 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.050 -10.409 -0.900 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.940 -10.301 0.474 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.046 -10.882 -0.916 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.407 -11.961 1.739 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.164 -13.550 1.587 1.00 19.49 H new ATOM 37 N ILE A 3 7.200 -7.520 -0.389 1.00 5.87 N ATOM 38 CA ILE A 3 6.701 -6.961 0.877 1.00 5.07 C ATOM 39 C ILE A 3 5.453 -7.724 1.294 1.00 4.01 C ATOM 40 O ILE A 3 5.027 -8.672 0.598 1.00 4.61 O ATOM 41 CB ILE A 3 6.407 -5.466 0.883 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.569 -5.161 -0.347 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.781 -4.728 0.801 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.873 -3.751 -0.465 1.00 10.83 C ATOM 0 H ILE A 3 6.540 -7.487 -1.166 1.00 5.87 H new ATOM 0 HA ILE A 3 7.521 -7.082 1.585 1.00 5.07 H new ATOM 0 HB ILE A 3 5.869 -5.148 1.776 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.208 -5.287 -1.221 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.789 -5.920 -0.411 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.616 -3.651 0.803 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.393 -5.003 1.660 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.294 -5.015 -0.117 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.315 -3.698 -1.400 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.190 -3.611 0.373 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.632 -2.968 -0.450 1.00 10.83 H new ATOM 56 N PHE A 4 4.927 -7.346 2.471 1.00 4.55 N ATOM 57 CA PHE A 4 3.727 -7.839 2.977 1.00 4.68 C ATOM 58 C PHE A 4 2.763 -6.701 3.183 1.00 5.30 C ATOM 59 O PHE A 4 3.239 -5.625 3.532 1.00 5.58 O ATOM 60 CB PHE A 4 3.978 -8.421 4.367 1.00 4.83 C ATOM 61 CG PHE A 4 4.833 -9.661 4.381 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.352 -10.830 3.726 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.043 -9.731 5.149 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.038 -12.033 3.838 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.718 -10.941 5.294 1.00 10.61 C ATOM 66 CZ PHE A 4 6.222 -12.059 4.563 1.00 8.90 C ATOM 0 H PHE A 4 5.375 -6.664 3.083 1.00 4.55 H new ATOM 0 HA PHE A 4 3.334 -8.581 2.282 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.454 -7.660 4.985 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.018 -8.652 4.829 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.447 -10.781 3.138 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.433 -8.840 5.618 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.658 -12.930 3.371 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.583 -11.028 5.935 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.796 -12.974 4.573 1.00 8.90 H new ATOM 76 N VAL A 5 1.465 -6.867 2.952 1.00 4.44 N ATOM 77 CA VAL A 5 0.484 -5.889 3.256 1.00 3.87 C ATOM 78 C VAL A 5 -0.506 -6.664 4.022 1.00 4.93 C ATOM 79 O VAL A 5 -0.727 -7.809 3.656 1.00 6.84 O ATOM 80 CB VAL A 5 -0.110 -5.313 2.028 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.135 -4.168 2.332 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.989 -4.584 1.213 1.00 9.13 C ATOM 0 H VAL A 5 1.079 -7.715 2.537 1.00 4.44 H new ATOM 0 HA VAL A 5 0.880 -5.031 3.799 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.580 -6.151 1.514 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.539 -3.783 1.396 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -1.948 -4.560 2.943 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.633 -3.363 2.869 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.551 -4.160 0.309 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.420 -3.785 1.816 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.770 -5.293 0.939 1.00 9.13 H new ATOM 92 N LYS A 6 -1.094 -6.120 5.082 1.00 6.04 N ATOM 93 CA LYS A 6 -2.251 -6.558 5.855 1.00 6.12 C ATOM 94 C LYS A 6 -3.494 -5.831 5.356 1.00 6.57 C ATOM 95 O LYS A 6 -3.572 -4.635 5.372 1.00 5.76 O ATOM 96 CB LYS A 6 -2.068 -6.418 7.362 1.00 7.45 C ATOM 97 CG LYS A 6 -1.099 -7.530 7.706 1.00 11.12 C ATOM 98 CD LYS A 6 -1.035 -7.725 9.201 1.00 14.54 C ATOM 99 CE LYS A 6 -0.437 -9.094 9.638 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.292 -10.306 9.488 1.00 20.55 N ATOM 0 H LYS A 6 -0.723 -5.252 5.468 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.371 -7.629 5.693 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.667 -5.440 7.628 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.013 -6.531 7.893 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.412 -8.456 7.225 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.108 -7.290 7.321 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.437 -6.924 9.636 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.040 -7.632 9.612 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.478 -9.257 9.068 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.150 -9.015 10.686 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.189 -10.910 10.329 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.287 -10.019 9.387 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.997 -10.836 8.643 1.00 20.55 H new ATOM 114 N THR A 7 -4.478 -6.622 4.805 1.00 7.41 N ATOM 115 CA THR A 7 -5.728 -6.102 4.238 1.00 7.48 C ATOM 116 C THR A 7 -6.660 -5.356 5.159 1.00 8.75 C ATOM 117 O THR A 7 -6.293 -4.850 6.245 1.00 8.58 O ATOM 118 CB THR A 7 -6.546 -7.198 3.468 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.068 -8.170 4.388 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.580 -7.823 2.448 1.00 9.17 C ATOM 0 H THR A 7 -4.404 -7.638 4.753 1.00 7.41 H new ATOM 0 HA THR A 7 -5.339 -5.348 3.553 1.00 7.48 H new ATOM 0 HB THR A 7 -7.409 -6.775 2.954 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.577 -8.847 3.895 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.099 -8.596 1.882 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.222 -7.052 1.766 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.733 -8.265 2.973 1.00 9.17 H new ATOM 128 N LEU A 8 -7.954 -5.162 4.781 1.00 9.84 N ATOM 129 CA LEU A 8 -8.925 -4.556 5.646 1.00 14.15 C ATOM 130 C LEU A 8 -9.284 -5.266 6.952 1.00 17.37 C ATOM 131 O LEU A 8 -9.565 -4.674 8.024 1.00 17.01 O ATOM 132 CB LEU A 8 -10.206 -4.250 4.918 1.00 16.63 C ATOM 133 CG LEU A 8 -9.985 -3.431 3.653 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.295 -3.364 2.814 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.626 -2.040 4.065 1.00 18.59 C ATOM 0 H LEU A 8 -8.321 -5.430 3.868 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.387 -3.658 5.952 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.703 -5.185 4.658 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.876 -3.707 5.584 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.198 -3.891 3.055 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.121 -2.775 1.913 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.600 -4.372 2.535 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.083 -2.897 3.406 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.461 -1.429 3.178 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.438 -1.614 4.654 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.716 -2.062 4.665 1.00 18.59 H new ATOM 147 N THR A 9 -9.353 -6.636 6.897 1.00 18.33 N ATOM 148 CA THR A 9 -9.514 -7.562 8.015 1.00 19.24 C ATOM 149 C THR A 9 -8.208 -8.054 8.567 1.00 19.48 C ATOM 150 O THR A 9 -8.163 -8.995 9.416 1.00 23.14 O ATOM 151 CB THR A 9 -10.509 -8.733 7.653 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.093 -9.341 6.433 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.886 -8.070 7.504 1.00 19.70 C ATOM 0 H THR A 9 -9.292 -7.129 6.006 1.00 18.33 H new ATOM 0 HA THR A 9 -9.968 -6.997 8.829 1.00 19.24 H new ATOM 0 HB THR A 9 -10.536 -9.516 8.411 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.707 -10.070 6.205 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.629 -8.827 7.252 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.162 -7.589 8.443 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.846 -7.323 6.712 1.00 19.70 H new ATOM 161 N GLY A 10 -7.020 -7.547 8.091 1.00 19.43 N ATOM 162 CA GLY A 10 -5.740 -7.845 8.664 1.00 18.74 C ATOM 163 C GLY A 10 -5.153 -9.133 8.201 1.00 17.62 C ATOM 164 O GLY A 10 -4.230 -9.624 8.878 1.00 19.74 O ATOM 0 H GLY A 10 -6.968 -6.918 7.290 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.049 -7.036 8.425 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.837 -7.871 9.749 1.00 18.74 H new ATOM 168 N LYS A 11 -5.679 -9.749 7.164 1.00 13.56 N ATOM 169 CA LYS A 11 -5.079 -10.927 6.466 1.00 11.91 C ATOM 170 C LYS A 11 -3.832 -10.518 5.739 1.00 10.18 C ATOM 171 O LYS A 11 -3.735 -9.421 5.123 1.00 9.10 O ATOM 172 CB LYS A 11 -6.124 -11.301 5.457 1.00 13.43 C ATOM 173 CG LYS A 11 -5.795 -12.515 4.533 1.00 16.69 C ATOM 174 CD LYS A 11 -6.804 -12.849 3.362 1.00 17.92 C ATOM 175 CE LYS A 11 -6.644 -11.823 2.179 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.686 -12.028 1.235 1.00 21.93 N ATOM 0 H LYS A 11 -6.564 -9.455 6.750 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.814 -11.732 7.151 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.050 -11.518 5.989 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.315 -10.433 4.826 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.814 -12.342 4.090 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.709 -13.401 5.163 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.625 -13.861 2.999 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.827 -12.821 3.738 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.679 -10.802 2.560 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.673 -11.951 1.700 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.831 -11.158 0.684 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.426 -12.805 0.594 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.565 -12.272 1.735 1.00 21.93 H new ATOM 190 N THR A 12 -2.772 -11.367 5.698 1.00 9.63 N ATOM 191 CA THR A 12 -1.501 -10.998 5.047 1.00 9.85 C ATOM 192 C THR A 12 -1.587 -11.330 3.557 1.00 11.66 C ATOM 193 O THR A 12 -2.002 -12.432 3.148 1.00 12.33 O ATOM 194 CB THR A 12 -0.282 -11.614 5.668 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.302 -11.498 7.118 1.00 10.91 O ATOM 196 CG2 THR A 12 1.037 -10.944 5.232 1.00 9.63 C ATOM 0 H THR A 12 -2.778 -12.302 6.106 1.00 9.63 H new ATOM 0 HA THR A 12 -1.372 -9.925 5.193 1.00 9.85 H new ATOM 0 HB THR A 12 -0.314 -12.650 5.332 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.505 -11.911 7.490 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.876 -11.441 5.720 1.00 9.63 H new ATOM 0 HG22 THR A 12 1.146 -11.025 4.151 1.00 9.63 H new ATOM 0 HG23 THR A 12 1.022 -9.892 5.517 1.00 9.63 H new ATOM 204 N ILE A 13 -1.270 -10.370 2.690 1.00 10.42 N ATOM 205 CA ILE A 13 -1.133 -10.590 1.230 1.00 11.84 C ATOM 206 C ILE A 13 0.253 -10.095 0.816 1.00 10.55 C ATOM 207 O ILE A 13 0.686 -8.982 1.129 1.00 11.92 O ATOM 208 CB ILE A 13 -2.192 -10.030 0.320 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.231 -8.462 0.390 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.625 -10.593 0.711 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.240 -7.834 -0.565 1.00 16.46 C ATOM 0 H ILE A 13 -1.097 -9.405 2.972 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.273 -11.662 1.092 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.939 -10.338 -0.695 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.470 -8.158 1.409 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.238 -8.072 0.165 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.376 -10.175 0.040 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.625 -11.680 0.624 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.859 -10.311 1.738 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.212 -6.749 -0.462 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.990 -8.108 -1.590 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.240 -8.195 -0.327 1.00 16.46 H new ATOM 223 N THR A 14 0.995 -10.952 0.096 1.00 9.39 N ATOM 224 CA THR A 14 2.320 -10.746 -0.382 1.00 9.63 C ATOM 225 C THR A 14 2.276 -10.115 -1.684 1.00 11.20 C ATOM 226 O THR A 14 1.547 -10.631 -2.553 1.00 11.63 O ATOM 227 CB THR A 14 3.058 -12.089 -0.553 1.00 10.38 C ATOM 228 OG1 THR A 14 3.108 -12.799 0.679 1.00 16.30 O ATOM 229 CG2 THR A 14 4.513 -11.909 -0.990 1.00 11.66 C ATOM 0 H THR A 14 0.633 -11.867 -0.173 1.00 9.39 H new ATOM 0 HA THR A 14 2.840 -10.122 0.345 1.00 9.63 H new ATOM 0 HB THR A 14 2.498 -12.629 -1.316 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.579 -13.649 0.548 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.985 -12.886 -1.095 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.544 -11.386 -1.946 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.049 -11.326 -0.241 1.00 11.66 H new ATOM 237 N LEU A 15 3.113 -9.050 -1.844 1.00 8.29 N ATOM 238 CA LEU A 15 3.224 -8.377 -3.098 1.00 9.03 C ATOM 239 C LEU A 15 4.615 -8.144 -3.516 1.00 8.59 C ATOM 240 O LEU A 15 5.408 -7.556 -2.822 1.00 7.79 O ATOM 241 CB LEU A 15 2.644 -6.933 -3.132 1.00 11.08 C ATOM 242 CG LEU A 15 1.205 -6.788 -2.566 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.759 -5.321 -2.281 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.261 -7.616 -3.471 1.00 15.27 C ATOM 0 H LEU A 15 3.702 -8.668 -1.104 1.00 8.29 H new ATOM 0 HA LEU A 15 2.670 -9.064 -3.738 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.308 -6.278 -2.567 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.650 -6.580 -4.163 1.00 11.08 H new ATOM 0 HG LEU A 15 1.165 -7.199 -1.557 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.258 -5.320 -1.889 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.431 -4.872 -1.549 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.792 -4.745 -3.205 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.761 -7.536 -3.101 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.308 -7.235 -4.491 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.570 -8.661 -3.460 1.00 15.27 H new ATOM 256 N GLU A 16 5.000 -8.594 -4.758 1.00 11.04 N ATOM 257 CA GLU A 16 6.225 -8.165 -5.333 1.00 11.50 C ATOM 258 C GLU A 16 6.255 -6.781 -5.915 1.00 10.13 C ATOM 259 O GLU A 16 5.388 -6.404 -6.729 1.00 9.83 O ATOM 260 CB GLU A 16 6.804 -9.186 -6.332 1.00 17.22 C ATOM 261 CG GLU A 16 6.088 -9.259 -7.700 1.00 23.33 C ATOM 262 CD GLU A 16 6.759 -10.368 -8.551 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.896 -10.171 -9.023 1.00 28.86 O ATOM 264 OE2 GLU A 16 6.131 -11.441 -8.714 1.00 28.90 O ATOM 0 H GLU A 16 4.458 -9.240 -5.332 1.00 11.04 H new ATOM 0 HA GLU A 16 6.873 -8.105 -4.459 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.853 -8.946 -6.503 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.774 -10.174 -5.873 1.00 17.22 H new ATOM 0 HG2 GLU A 16 5.029 -9.477 -7.562 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.151 -8.299 -8.212 1.00 23.33 H new ATOM 271 N VAL A 17 7.240 -6.035 -5.481 1.00 8.99 N ATOM 272 CA VAL A 17 7.325 -4.578 -5.780 1.00 8.85 C ATOM 273 C VAL A 17 8.692 -4.276 -6.130 1.00 8.04 C ATOM 274 O VAL A 17 9.573 -5.112 -5.903 1.00 8.99 O ATOM 275 CB VAL A 17 6.826 -3.579 -4.667 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.286 -3.685 -4.476 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.560 -3.782 -3.329 1.00 10.54 C ATOM 0 H VAL A 17 8.011 -6.390 -4.915 1.00 8.99 H new ATOM 0 HA VAL A 17 6.621 -4.412 -6.595 1.00 8.85 H new ATOM 0 HB VAL A 17 7.064 -2.573 -5.012 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.966 -2.986 -3.703 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.786 -3.443 -5.414 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.025 -4.700 -4.177 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.181 -3.071 -2.595 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.391 -4.798 -2.971 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.629 -3.621 -3.472 1.00 10.54 H new ATOM 287 N GLU A 18 8.976 -3.105 -6.756 1.00 7.29 N ATOM 288 CA GLU A 18 10.337 -2.583 -6.810 1.00 7.08 C ATOM 289 C GLU A 18 10.311 -1.451 -5.800 1.00 6.45 C ATOM 290 O GLU A 18 9.264 -0.878 -5.641 1.00 5.28 O ATOM 291 CB GLU A 18 10.761 -1.997 -8.168 1.00 10.28 C ATOM 292 CG GLU A 18 10.578 -2.984 -9.389 1.00 12.65 C ATOM 293 CD GLU A 18 11.321 -4.248 -9.267 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.331 -4.335 -8.514 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.012 -5.198 -10.053 1.00 14.33 O ATOM 0 H GLU A 18 8.280 -2.522 -7.220 1.00 7.29 H new ATOM 0 HA GLU A 18 11.045 -3.390 -6.621 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.182 -1.093 -8.357 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.808 -1.699 -8.111 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.518 -3.210 -9.502 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.895 -2.477 -10.301 1.00 12.65 H new ATOM 302 N PRO A 19 11.346 -0.980 -5.180 1.00 7.24 N ATOM 303 CA PRO A 19 11.432 0.177 -4.325 1.00 7.07 C ATOM 304 C PRO A 19 11.190 1.439 -5.102 1.00 6.65 C ATOM 305 O PRO A 19 10.962 2.485 -4.479 1.00 6.37 O ATOM 306 CB PRO A 19 12.812 0.128 -3.591 1.00 7.61 C ATOM 307 CG PRO A 19 13.711 -0.657 -4.629 1.00 8.16 C ATOM 308 CD PRO A 19 12.670 -1.605 -5.240 1.00 7.49 C ATOM 0 HA PRO A 19 10.649 0.170 -3.566 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.201 1.126 -3.387 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.747 -0.390 -2.634 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.158 0.003 -5.373 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.528 -1.194 -4.147 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.931 -1.831 -6.274 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.662 -2.551 -4.699 1.00 7.49 H new ATOM 316 N SER A 20 11.111 1.399 -6.419 1.00 6.80 N ATOM 317 CA SER A 20 10.860 2.571 -7.289 1.00 6.28 C ATOM 318 C SER A 20 9.499 2.663 -7.816 1.00 8.45 C ATOM 319 O SER A 20 9.194 3.585 -8.566 1.00 7.26 O ATOM 320 CB SER A 20 11.794 2.405 -8.566 1.00 8.57 C ATOM 321 OG SER A 20 11.418 1.254 -9.306 1.00 11.13 O ATOM 0 H SER A 20 11.221 0.532 -6.945 1.00 6.80 H new ATOM 0 HA SER A 20 11.045 3.455 -6.678 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.720 3.291 -9.197 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.835 2.321 -8.255 1.00 8.57 H new ATOM 0 HG SER A 20 11.999 1.165 -10.090 1.00 11.13 H new ATOM 327 N ASP A 21 8.652 1.766 -7.307 1.00 7.50 N ATOM 328 CA ASP A 21 7.203 1.948 -7.437 1.00 7.70 C ATOM 329 C ASP A 21 6.726 2.951 -6.469 1.00 7.08 C ATOM 330 O ASP A 21 7.234 3.130 -5.368 1.00 8.11 O ATOM 331 CB ASP A 21 6.454 0.661 -7.033 1.00 11.00 C ATOM 332 CG ASP A 21 6.620 -0.368 -8.199 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.665 0.128 -9.374 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.740 -1.602 -8.009 1.00 14.36 O ATOM 0 H ASP A 21 8.936 0.922 -6.810 1.00 7.50 H new ATOM 0 HA ASP A 21 7.019 2.233 -8.473 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.859 0.257 -6.105 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.399 0.871 -6.855 1.00 11.00 H new ATOM 339 N THR A 22 5.816 3.838 -6.902 1.00 5.37 N ATOM 340 CA THR A 22 5.083 4.759 -5.965 1.00 6.01 C ATOM 341 C THR A 22 4.033 4.006 -5.253 1.00 8.01 C ATOM 342 O THR A 22 3.743 2.823 -5.481 1.00 8.11 O ATOM 343 CB THR A 22 4.468 5.917 -6.724 1.00 8.92 C ATOM 344 OG1 THR A 22 3.574 5.488 -7.736 1.00 10.22 O ATOM 345 CG2 THR A 22 5.579 6.729 -7.453 1.00 9.65 C ATOM 0 H THR A 22 5.559 3.951 -7.883 1.00 5.37 H new ATOM 0 HA THR A 22 5.793 5.162 -5.243 1.00 6.01 H new ATOM 0 HB THR A 22 3.936 6.512 -5.981 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.019 4.827 -8.307 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.126 7.559 -7.996 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.286 7.117 -6.720 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.103 6.080 -8.154 1.00 9.65 H new ATOM 353 N ILE A 23 3.366 4.619 -4.179 1.00 8.32 N ATOM 354 CA ILE A 23 2.221 4.027 -3.404 1.00 9.92 C ATOM 355 C ILE A 23 0.993 3.669 -4.206 1.00 10.01 C ATOM 356 O ILE A 23 0.322 2.630 -4.062 1.00 8.71 O ATOM 357 CB ILE A 23 1.871 4.799 -2.122 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.103 5.308 -1.424 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.870 4.010 -1.173 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.943 4.237 -0.765 1.00 12.30 C ATOM 0 H ILE A 23 3.627 5.545 -3.842 1.00 8.32 H new ATOM 0 HA ILE A 23 2.630 3.065 -3.094 1.00 9.92 H new ATOM 0 HB ILE A 23 1.313 5.684 -2.426 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.720 5.841 -2.147 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.802 6.032 -0.667 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.662 4.608 -0.286 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.061 3.817 -1.706 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.321 3.063 -0.875 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.809 4.696 -0.288 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.347 3.718 -0.014 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.279 3.524 -1.518 1.00 12.30 H new ATOM 372 N GLU A 24 0.704 4.550 -5.223 1.00 9.54 N ATOM 373 CA GLU A 24 -0.239 4.417 -6.354 1.00 11.81 C ATOM 374 C GLU A 24 -0.105 3.103 -7.174 1.00 11.14 C ATOM 375 O GLU A 24 -1.103 2.467 -7.565 1.00 10.62 O ATOM 376 CB GLU A 24 -0.026 5.562 -7.323 1.00 19.24 C ATOM 377 CG GLU A 24 -1.023 5.682 -8.456 1.00 27.76 C ATOM 378 CD GLU A 24 -0.853 6.929 -9.334 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.191 7.098 -9.979 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.802 7.776 -9.350 1.00 34.80 O ATOM 0 H GLU A 24 1.179 5.452 -5.260 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.227 4.416 -5.894 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.038 6.494 -6.758 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.970 5.463 -7.754 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.943 4.797 -9.087 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.029 5.684 -8.037 1.00 27.76 H new ATOM 387 N ASN A 25 1.130 2.694 -7.445 1.00 9.43 N ATOM 388 CA ASN A 25 1.519 1.414 -8.045 1.00 10.96 C ATOM 389 C ASN A 25 1.130 0.276 -7.088 1.00 9.68 C ATOM 390 O ASN A 25 0.455 -0.696 -7.495 1.00 9.33 O ATOM 391 CB ASN A 25 3.029 1.384 -8.377 1.00 16.78 C ATOM 392 CG ASN A 25 3.330 2.146 -9.646 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.033 3.161 -9.688 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.692 1.797 -10.784 1.00 24.70 N ATOM 0 H ASN A 25 1.939 3.281 -7.240 1.00 9.43 H new ATOM 0 HA ASN A 25 0.990 1.283 -8.989 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.593 1.814 -7.550 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.359 0.351 -8.484 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.803 2.363 -11.625 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.099 0.967 -10.802 1.00 24.70 H new ATOM 401 N VAL A 26 1.541 0.352 -5.817 1.00 6.52 N ATOM 402 CA VAL A 26 1.225 -0.693 -4.817 1.00 5.53 C ATOM 403 C VAL A 26 -0.290 -0.889 -4.679 1.00 4.42 C ATOM 404 O VAL A 26 -0.790 -2.040 -4.775 1.00 3.40 O ATOM 405 CB VAL A 26 1.854 -0.396 -3.493 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.544 -1.545 -2.535 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.328 -0.310 -3.804 1.00 8.12 C ATOM 0 H VAL A 26 2.095 1.125 -5.449 1.00 6.52 H new ATOM 0 HA VAL A 26 1.651 -1.629 -5.178 1.00 5.53 H new ATOM 0 HB VAL A 26 1.493 0.517 -3.019 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.997 -1.342 -1.565 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.464 -1.641 -2.419 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.949 -2.473 -2.937 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.881 -0.094 -2.890 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.669 -1.259 -4.218 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.501 0.485 -4.529 1.00 8.12 H new ATOM 417 N LYS A 27 -1.127 0.164 -4.576 1.00 2.64 N ATOM 418 CA LYS A 27 -2.566 0.010 -4.604 1.00 4.14 C ATOM 419 C LYS A 27 -3.183 -0.569 -5.861 1.00 5.58 C ATOM 420 O LYS A 27 -4.246 -1.165 -5.748 1.00 4.11 O ATOM 421 CB LYS A 27 -3.206 1.338 -4.128 1.00 3.97 C ATOM 422 CG LYS A 27 -2.637 1.692 -2.697 1.00 7.45 C ATOM 423 CD LYS A 27 -3.164 3.062 -2.225 1.00 9.02 C ATOM 424 CE LYS A 27 -2.878 4.291 -3.087 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.853 5.365 -2.796 1.00 15.47 N ATOM 0 H LYS A 27 -0.812 1.129 -4.473 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.806 -0.794 -3.909 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.982 2.139 -4.832 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.291 1.242 -4.090 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.926 0.920 -1.984 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.547 1.706 -2.727 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.245 2.980 -2.113 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.754 3.251 -1.233 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.866 4.649 -2.897 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.928 4.022 -4.142 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.498 6.267 -3.172 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.764 5.138 -3.244 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.983 5.446 -1.767 1.00 15.47 H new ATOM 439 N ALA A 28 -2.592 -0.407 -7.065 1.00 6.61 N ATOM 440 CA ALA A 28 -3.022 -1.176 -8.242 1.00 7.74 C ATOM 441 C ALA A 28 -2.830 -2.713 -8.229 1.00 9.17 C ATOM 442 O ALA A 28 -3.540 -3.510 -8.798 1.00 11.45 O ATOM 443 CB ALA A 28 -2.343 -0.669 -9.510 1.00 7.68 C ATOM 0 H ALA A 28 -1.825 0.242 -7.242 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.098 -1.005 -8.214 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.681 -1.257 -10.363 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.600 0.379 -9.666 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.262 -0.766 -9.408 1.00 7.68 H new ATOM 449 N LYS A 29 -1.651 -3.133 -7.691 1.00 8.96 N ATOM 450 CA LYS A 29 -1.265 -4.530 -7.485 1.00 7.90 C ATOM 451 C LYS A 29 -2.154 -5.183 -6.444 1.00 6.92 C ATOM 452 O LYS A 29 -2.709 -6.263 -6.646 1.00 6.87 O ATOM 453 CB LYS A 29 0.272 -4.694 -7.149 1.00 10.28 C ATOM 454 CG LYS A 29 0.766 -6.116 -7.239 1.00 14.94 C ATOM 455 CD LYS A 29 1.120 -6.464 -8.656 1.00 19.69 C ATOM 456 CE LYS A 29 1.557 -7.899 -8.986 1.00 22.63 C ATOM 457 NZ LYS A 29 1.815 -7.903 -10.418 1.00 24.98 N ATOM 0 H LYS A 29 -0.932 -2.478 -7.385 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.417 -5.053 -8.429 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.852 -4.074 -7.832 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.457 -4.318 -6.143 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.638 -6.245 -6.598 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -0.002 -6.797 -6.873 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.254 -6.233 -9.277 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.923 -5.796 -8.968 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.449 -8.177 -8.425 1.00 22.63 H new ATOM 0 HE3 LYS A 29 0.779 -8.617 -8.725 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 2.118 -8.853 -10.713 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 0.947 -7.642 -10.928 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.565 -7.217 -10.638 1.00 24.98 H new ATOM 471 N ILE A 30 -2.493 -4.413 -5.402 1.00 4.57 N ATOM 472 CA ILE A 30 -3.669 -4.712 -4.479 1.00 5.58 C ATOM 473 C ILE A 30 -5.062 -4.772 -5.139 1.00 7.26 C ATOM 474 O ILE A 30 -5.908 -5.606 -4.788 1.00 9.46 O ATOM 475 CB ILE A 30 -3.685 -3.688 -3.403 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.433 -3.810 -2.582 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.908 -3.933 -2.491 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.341 -2.916 -1.314 1.00 2.00 C ATOM 0 H ILE A 30 -1.984 -3.565 -5.150 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.499 -5.723 -4.110 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.741 -2.693 -3.845 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.328 -4.850 -2.273 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.582 -3.580 -3.223 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.927 -3.185 -1.698 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.822 -3.860 -3.080 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.840 -4.927 -2.050 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.392 -3.097 -0.810 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.404 -1.867 -1.603 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.162 -3.157 -0.639 1.00 2.00 H new ATOM 490 N GLN A 31 -5.383 -3.872 -6.094 1.00 7.06 N ATOM 491 CA GLN A 31 -6.601 -3.955 -6.915 1.00 8.67 C ATOM 492 C GLN A 31 -6.636 -5.242 -7.715 1.00 10.90 C ATOM 493 O GLN A 31 -7.632 -5.931 -7.767 1.00 9.63 O ATOM 494 CB GLN A 31 -6.795 -2.772 -7.857 1.00 9.12 C ATOM 495 CG GLN A 31 -8.132 -2.742 -8.595 1.00 10.76 C ATOM 496 CD GLN A 31 -8.333 -1.496 -9.454 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.454 -0.903 -9.482 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.281 -1.006 -10.140 1.00 14.76 N ATOM 0 H GLN A 31 -4.799 -3.065 -6.315 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.424 -3.935 -6.201 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.694 -1.851 -7.283 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.992 -2.779 -8.594 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.206 -3.625 -9.229 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.940 -2.804 -7.866 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.383 -1.490 -10.111 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.383 -0.151 -10.688 1.00 14.76 H new ATOM 507 N ASP A 32 -5.470 -5.707 -8.326 1.00 10.93 N ATOM 508 CA ASP A 32 -5.418 -7.011 -8.989 1.00 14.01 C ATOM 509 C ASP A 32 -5.644 -8.126 -7.996 1.00 14.04 C ATOM 510 O ASP A 32 -6.224 -9.180 -8.304 1.00 13.39 O ATOM 511 CB ASP A 32 -3.960 -7.100 -9.582 1.00 18.01 C ATOM 512 CG ASP A 32 -3.863 -8.011 -10.763 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.565 -7.780 -11.780 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.022 -8.983 -10.653 1.00 26.29 O ATOM 0 H ASP A 32 -4.594 -5.185 -8.353 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.188 -7.111 -9.754 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.630 -6.102 -9.872 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.279 -7.448 -8.805 1.00 18.01 H new ATOM 519 N LYS A 33 -5.150 -8.042 -6.747 1.00 14.22 N ATOM 520 CA LYS A 33 -5.365 -8.982 -5.646 1.00 14.00 C ATOM 521 C LYS A 33 -6.728 -9.023 -4.998 1.00 12.37 C ATOM 522 O LYS A 33 -7.465 -9.975 -5.038 1.00 12.17 O ATOM 523 CB LYS A 33 -4.373 -8.860 -4.426 1.00 18.62 C ATOM 524 CG LYS A 33 -2.943 -9.196 -4.762 1.00 24.00 C ATOM 525 CD LYS A 33 -2.798 -10.627 -5.269 1.00 27.61 C ATOM 526 CE LYS A 33 -1.357 -11.083 -5.212 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.237 -12.465 -5.653 1.00 30.06 N ATOM 0 H LYS A 33 -4.553 -7.264 -6.468 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.199 -9.885 -6.234 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.415 -7.842 -4.038 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.712 -9.520 -3.628 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.576 -8.504 -5.520 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.321 -9.060 -3.878 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.417 -11.293 -4.668 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.162 -10.691 -6.294 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.742 -10.440 -5.842 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.980 -10.987 -4.194 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.240 -12.759 -5.606 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.808 -13.077 -5.036 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.577 -12.548 -6.632 1.00 30.06 H new ATOM 541 N GLU A 34 -7.153 -7.845 -4.420 1.00 10.11 N ATOM 542 CA GLU A 34 -8.273 -7.811 -3.486 1.00 10.07 C ATOM 543 C GLU A 34 -9.478 -7.117 -4.074 1.00 9.32 C ATOM 544 O GLU A 34 -10.584 -7.194 -3.504 1.00 11.61 O ATOM 545 CB GLU A 34 -7.877 -7.085 -2.174 1.00 14.77 C ATOM 546 CG GLU A 34 -7.098 -7.977 -1.165 1.00 18.75 C ATOM 547 CD GLU A 34 -8.085 -8.920 -0.481 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.985 -8.411 0.240 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.911 -10.160 -0.606 1.00 21.95 O ATOM 0 H GLU A 34 -6.726 -6.936 -4.599 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.531 -8.849 -3.275 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.266 -6.217 -2.422 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.780 -6.712 -1.691 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.327 -8.548 -1.682 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.593 -7.357 -0.424 1.00 18.75 H new ATOM 556 N GLY A 35 -9.436 -6.510 -5.268 1.00 7.22 N ATOM 557 CA GLY A 35 -10.622 -5.889 -5.884 1.00 6.29 C ATOM 558 C GLY A 35 -11.048 -4.537 -5.346 1.00 6.93 C ATOM 559 O GLY A 35 -12.159 -4.031 -5.558 1.00 7.41 O ATOM 0 H GLY A 35 -8.589 -6.435 -5.831 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.433 -5.784 -6.952 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.460 -6.577 -5.774 1.00 6.29 H new ATOM 563 N ILE A 36 -10.145 -3.811 -4.651 1.00 5.86 N ATOM 564 CA ILE A 36 -10.441 -2.424 -4.114 1.00 6.07 C ATOM 565 C ILE A 36 -9.729 -1.436 -5.001 1.00 6.36 C ATOM 566 O ILE A 36 -8.514 -1.548 -5.197 1.00 6.18 O ATOM 567 CB ILE A 36 -9.869 -2.236 -2.660 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.144 -3.451 -1.755 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.498 -0.936 -2.075 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.432 -3.308 -0.339 1.00 9.49 C ATOM 0 H ILE A 36 -9.204 -4.142 -4.439 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.521 -2.278 -4.094 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.783 -2.151 -2.705 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.219 -3.561 -1.612 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.794 -4.358 -2.248 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.123 -0.773 -1.065 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.229 -0.087 -2.703 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.583 -1.037 -2.047 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.651 -4.186 0.269 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.354 -3.224 -0.480 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.802 -2.416 0.166 1.00 9.49 H new ATOM 582 N PRO A 37 -10.307 -0.334 -5.569 1.00 8.65 N ATOM 583 CA PRO A 37 -9.566 0.597 -6.415 1.00 9.18 C ATOM 584 C PRO A 37 -8.424 1.311 -5.774 1.00 9.85 C ATOM 585 O PRO A 37 -8.591 1.569 -4.579 1.00 8.51 O ATOM 586 CB PRO A 37 -10.630 1.733 -6.651 1.00 11.42 C ATOM 587 CG PRO A 37 -11.958 0.916 -6.789 1.00 9.27 C ATOM 588 CD PRO A 37 -11.797 -0.142 -5.712 1.00 8.33 C ATOM 0 HA PRO A 37 -9.155 0.044 -7.260 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.668 2.435 -5.818 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.414 2.314 -7.548 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.838 1.537 -6.621 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.064 0.475 -7.780 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.245 0.181 -4.772 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.289 -1.072 -5.997 1.00 8.33 H new ATOM 596 N PRO A 38 -7.295 1.709 -6.345 1.00 8.71 N ATOM 597 CA PRO A 38 -6.267 2.602 -5.783 1.00 9.08 C ATOM 598 C PRO A 38 -6.821 3.890 -5.144 1.00 9.28 C ATOM 599 O PRO A 38 -6.205 4.315 -4.192 1.00 6.50 O ATOM 600 CB PRO A 38 -5.199 2.833 -6.779 1.00 10.31 C ATOM 601 CG PRO A 38 -5.415 1.687 -7.837 1.00 10.81 C ATOM 602 CD PRO A 38 -6.915 1.377 -7.702 1.00 12.00 C ATOM 0 HA PRO A 38 -5.821 2.089 -4.931 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.284 3.819 -7.235 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.210 2.776 -6.325 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.159 2.013 -8.845 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.800 0.814 -7.619 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.495 1.959 -8.418 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.112 0.326 -7.911 1.00 12.00 H new ATOM 610 N ASP A 39 -7.873 4.445 -5.788 1.00 11.20 N ATOM 611 CA ASP A 39 -8.688 5.535 -5.238 1.00 14.96 C ATOM 612 C ASP A 39 -9.317 5.266 -3.897 1.00 13.99 C ATOM 613 O ASP A 39 -9.362 6.137 -3.043 1.00 13.75 O ATOM 614 CB ASP A 39 -9.740 5.865 -6.318 1.00 24.16 C ATOM 615 CG ASP A 39 -10.392 7.171 -5.962 1.00 31.06 C ATOM 616 OD1 ASP A 39 -11.342 7.195 -5.129 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.992 8.180 -6.600 1.00 34.22 O ATOM 0 H ASP A 39 -8.177 4.141 -6.713 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.037 6.381 -5.018 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.269 5.931 -7.299 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.486 5.072 -6.376 1.00 24.16 H new ATOM 622 N GLN A 40 -9.880 4.076 -3.691 1.00 11.60 N ATOM 623 CA GLN A 40 -10.642 3.732 -2.525 1.00 10.76 C ATOM 624 C GLN A 40 -9.786 3.216 -1.389 1.00 8.01 C ATOM 625 O GLN A 40 -10.307 2.751 -0.355 1.00 8.96 O ATOM 626 CB GLN A 40 -11.709 2.643 -2.741 1.00 11.14 C ATOM 627 CG GLN A 40 -13.006 2.861 -1.974 1.00 14.85 C ATOM 628 CD GLN A 40 -13.886 1.603 -1.920 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.703 0.578 -2.518 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.981 1.828 -1.107 1.00 18.16 N ATOM 0 H GLN A 40 -9.807 3.311 -4.362 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.117 4.684 -2.287 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.938 2.584 -3.805 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.289 1.680 -2.451 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.772 3.179 -0.958 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.567 3.671 -2.441 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.083 2.720 -0.624 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.687 1.102 -0.990 1.00 18.16 H new ATOM 639 N GLN A 41 -8.427 3.236 -1.492 1.00 6.52 N ATOM 640 CA GLN A 41 -7.518 2.711 -0.524 1.00 3.87 C ATOM 641 C GLN A 41 -6.621 3.839 0.008 1.00 4.79 C ATOM 642 O GLN A 41 -6.434 4.823 -0.730 1.00 6.34 O ATOM 643 CB GLN A 41 -6.492 1.741 -1.227 1.00 4.20 C ATOM 644 CG GLN A 41 -7.115 0.420 -1.722 1.00 3.20 C ATOM 645 CD GLN A 41 -6.002 -0.416 -2.402 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.967 -0.685 -1.811 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.295 -0.971 -3.555 1.00 7.13 N ATOM 0 H GLN A 41 -7.951 3.643 -2.298 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.113 2.226 0.250 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.041 2.258 -2.074 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.687 1.512 -0.528 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.549 -0.132 -0.888 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.923 0.621 -2.426 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.165 -0.731 -4.030 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.653 -1.642 -3.976 1.00 7.13 H new ATOM 656 N ARG A 42 -6.075 3.655 1.182 1.00 5.73 N ATOM 657 CA ARG A 42 -4.883 4.320 1.638 1.00 6.97 C ATOM 658 C ARG A 42 -4.078 3.214 2.348 1.00 7.15 C ATOM 659 O ARG A 42 -4.576 2.282 2.982 1.00 7.33 O ATOM 660 CB ARG A 42 -5.074 5.479 2.649 1.00 13.23 C ATOM 661 CG ARG A 42 -5.615 6.790 2.145 1.00 21.27 C ATOM 662 CD ARG A 42 -5.419 7.820 3.232 1.00 26.14 C ATOM 663 NE ARG A 42 -5.893 9.105 2.732 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.026 9.693 3.128 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.006 9.006 3.728 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.238 10.996 2.889 1.00 36.39 N ATOM 0 H ARG A 42 -6.464 3.013 1.873 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.416 4.790 0.772 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.741 5.126 3.436 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.108 5.676 3.114 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.097 7.092 1.235 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.672 6.696 1.894 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -5.968 7.535 4.129 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.367 7.885 3.509 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.324 9.586 2.036 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.899 8.005 3.894 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.859 9.483 4.019 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.531 11.547 2.401 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.106 11.436 3.195 1.00 36.39 H new ATOM 680 N LEU A 43 -2.768 3.355 2.261 1.00 4.65 N ATOM 681 CA LEU A 43 -1.872 2.469 2.925 1.00 3.51 C ATOM 682 C LEU A 43 -1.185 3.190 4.105 1.00 5.56 C ATOM 683 O LEU A 43 -0.770 4.347 3.989 1.00 4.19 O ATOM 684 CB LEU A 43 -0.796 1.870 1.966 1.00 3.74 C ATOM 685 CG LEU A 43 -1.191 0.988 0.761 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.033 0.475 -0.043 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.130 -0.170 1.160 1.00 6.41 C ATOM 0 H LEU A 43 -2.310 4.092 1.724 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.468 1.637 3.298 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.222 2.708 1.571 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.116 1.280 2.581 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.751 1.643 0.093 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.310 -0.138 -0.876 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.598 1.324 -0.426 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.672 -0.122 0.608 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.377 -0.759 0.277 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.633 -0.806 1.893 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.044 0.236 1.593 1.00 6.41 H new ATOM 699 N ILE A 44 -1.057 2.512 5.264 1.00 4.58 N ATOM 700 CA ILE A 44 -0.494 3.113 6.506 1.00 5.55 C ATOM 701 C ILE A 44 0.737 2.335 6.973 1.00 5.46 C ATOM 702 O ILE A 44 0.786 1.127 7.122 1.00 6.04 O ATOM 703 CB ILE A 44 -1.534 3.068 7.649 1.00 6.80 C ATOM 704 CG1 ILE A 44 -3.030 3.282 7.191 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.092 3.958 8.843 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.370 4.784 6.843 1.00 13.90 C ATOM 0 H ILE A 44 -1.337 1.537 5.373 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.225 4.144 6.275 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.548 2.040 8.012 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.227 2.661 6.317 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.697 2.940 7.982 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.842 3.907 9.632 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.136 3.602 9.228 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.987 4.990 8.508 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.413 4.859 6.536 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.204 5.407 7.722 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.727 5.124 6.031 1.00 13.90 H new ATOM 718 N PHE A 45 1.837 3.044 7.319 1.00 6.75 N ATOM 719 CA PHE A 45 3.036 2.375 7.806 1.00 4.70 C ATOM 720 C PHE A 45 3.710 3.247 8.807 1.00 6.34 C ATOM 721 O PHE A 45 3.995 4.381 8.490 1.00 5.45 O ATOM 722 CB PHE A 45 3.934 1.903 6.642 1.00 5.51 C ATOM 723 CG PHE A 45 5.387 1.586 7.015 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.633 0.311 7.586 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.433 2.412 6.639 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.945 -0.168 7.757 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.733 2.015 6.927 1.00 6.64 C ATOM 728 CZ PHE A 45 7.990 0.718 7.451 1.00 6.84 C ATOM 0 H PHE A 45 1.906 4.060 7.267 1.00 6.75 H new ATOM 0 HA PHE A 45 2.773 1.453 8.325 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.488 1.012 6.201 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.935 2.674 5.871 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.799 -0.302 7.895 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.242 3.346 6.132 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.139 -1.171 8.107 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.553 2.695 6.752 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.011 0.408 7.617 1.00 6.84 H new ATOM 738 N ALA A 46 3.914 2.715 10.028 1.00 6.53 N ATOM 739 CA ALA A 46 4.656 3.360 11.084 1.00 7.15 C ATOM 740 C ALA A 46 4.042 4.670 11.666 1.00 9.00 C ATOM 741 O ALA A 46 4.828 5.538 12.127 1.00 11.15 O ATOM 742 CB ALA A 46 6.119 3.453 10.636 1.00 8.99 C ATOM 0 H ALA A 46 3.550 1.800 10.295 1.00 6.53 H new ATOM 0 HA ALA A 46 4.592 2.738 11.977 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.708 3.937 11.415 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.509 2.451 10.456 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.182 4.037 9.718 1.00 8.99 H new ATOM 748 N GLY A 47 2.760 4.758 11.647 1.00 9.35 N ATOM 749 CA GLY A 47 2.082 5.996 12.074 1.00 11.68 C ATOM 750 C GLY A 47 1.777 6.992 10.956 1.00 11.14 C ATOM 751 O GLY A 47 1.050 7.957 11.117 1.00 13.93 O ATOM 0 H GLY A 47 2.135 4.009 11.347 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.146 5.728 12.564 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.703 6.492 12.821 1.00 11.68 H new ATOM 755 N LYS A 48 2.322 6.725 9.728 1.00 10.47 N ATOM 756 CA LYS A 48 2.402 7.602 8.560 1.00 8.82 C ATOM 757 C LYS A 48 1.378 7.035 7.558 1.00 7.68 C ATOM 758 O LYS A 48 1.401 5.843 7.230 1.00 6.47 O ATOM 759 CB LYS A 48 3.819 7.697 7.928 1.00 9.74 C ATOM 760 CG LYS A 48 4.736 8.408 8.947 1.00 14.14 C ATOM 761 CD LYS A 48 6.235 8.366 8.645 1.00 16.32 C ATOM 762 CE LYS A 48 6.900 6.965 8.830 1.00 20.04 C ATOM 763 NZ LYS A 48 8.387 6.997 8.655 1.00 23.92 N ATOM 0 H LYS A 48 2.743 5.816 9.536 1.00 10.47 H new ATOM 0 HA LYS A 48 2.184 8.629 8.853 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.202 6.703 7.696 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.784 8.253 6.991 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.429 9.452 9.016 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.571 7.962 9.928 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.394 8.696 7.618 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.742 9.082 9.292 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.665 6.585 9.824 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.470 6.267 8.112 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.773 6.041 8.789 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.617 7.332 7.698 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.805 7.641 9.357 1.00 23.92 H new ATOM 777 N GLN A 49 0.526 7.892 7.021 1.00 8.89 N ATOM 778 CA GLN A 49 -0.216 7.601 5.806 1.00 7.18 C ATOM 779 C GLN A 49 0.627 7.755 4.535 1.00 8.23 C ATOM 780 O GLN A 49 1.252 8.784 4.312 1.00 9.70 O ATOM 781 CB GLN A 49 -1.380 8.677 5.705 1.00 11.67 C ATOM 782 CG GLN A 49 -2.360 8.524 6.902 1.00 15.82 C ATOM 783 CD GLN A 49 -3.531 9.533 6.699 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.350 10.742 6.425 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.789 9.059 6.967 1.00 20.67 N ATOM 0 H GLN A 49 0.329 8.811 7.416 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.562 6.569 5.866 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.957 9.681 5.699 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.919 8.552 4.766 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.741 7.504 6.955 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.846 8.721 7.843 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.926 8.073 7.189 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.588 9.692 6.944 1.00 20.67 H new ATOM 794 N LEU A 50 0.706 6.704 3.686 1.00 6.51 N ATOM 795 CA LEU A 50 1.659 6.747 2.625 1.00 7.41 C ATOM 796 C LEU A 50 1.131 7.185 1.296 1.00 8.27 C ATOM 797 O LEU A 50 0.017 6.913 0.842 1.00 8.34 O ATOM 798 CB LEU A 50 2.269 5.348 2.352 1.00 7.13 C ATOM 799 CG LEU A 50 2.705 4.580 3.556 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.159 3.216 3.112 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.873 5.297 4.315 1.00 9.11 C ATOM 0 H LEU A 50 0.133 5.861 3.734 1.00 6.51 H new ATOM 0 HA LEU A 50 2.378 7.479 2.993 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.534 4.752 1.811 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.128 5.470 1.692 1.00 7.13 H new ATOM 0 HG LEU A 50 1.863 4.507 4.244 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.482 2.640 3.979 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.334 2.700 2.620 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.990 3.318 2.415 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.160 4.705 5.184 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.729 5.402 3.649 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.544 6.284 4.641 1.00 9.11 H new ATOM 813 N GLU A 51 1.913 8.095 0.688 1.00 9.43 N ATOM 814 CA GLU A 51 1.418 9.029 -0.272 1.00 11.90 C ATOM 815 C GLU A 51 1.611 8.633 -1.738 1.00 11.49 C ATOM 816 O GLU A 51 2.677 8.067 -2.051 1.00 9.88 O ATOM 817 CB GLU A 51 2.175 10.376 -0.083 1.00 16.56 C ATOM 818 CG GLU A 51 1.660 11.666 -0.767 1.00 26.06 C ATOM 819 CD GLU A 51 2.466 12.863 -0.260 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.666 13.113 -0.717 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.911 13.654 0.533 1.00 33.44 O ATOM 0 H GLU A 51 2.913 8.183 0.869 1.00 9.43 H new ATOM 0 HA GLU A 51 0.345 9.082 -0.089 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.218 10.574 0.988 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.200 10.220 -0.420 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.756 11.581 -1.849 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.601 11.808 -0.551 1.00 26.06 H new ATOM 828 N ASP A 52 0.544 8.805 -2.495 1.00 12.71 N ATOM 829 CA ASP A 52 0.283 8.176 -3.712 1.00 16.56 C ATOM 830 C ASP A 52 1.348 8.442 -4.835 1.00 15.83 C ATOM 831 O ASP A 52 1.768 7.517 -5.491 1.00 17.21 O ATOM 832 CB ASP A 52 -1.090 8.584 -4.280 1.00 21.05 C ATOM 833 CG ASP A 52 -2.134 8.709 -3.183 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.148 9.584 -2.312 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.142 7.951 -3.262 1.00 25.82 O ATOM 0 H ASP A 52 -0.203 9.445 -2.225 1.00 12.71 H new ATOM 0 HA ASP A 52 0.314 7.116 -3.459 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.999 9.534 -4.806 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.416 7.844 -5.011 1.00 21.05 H new ATOM 840 N GLY A 53 1.858 9.684 -4.973 1.00 15.00 N ATOM 841 CA GLY A 53 2.923 10.055 -5.855 1.00 11.77 C ATOM 842 C GLY A 53 4.238 9.926 -5.152 1.00 11.10 C ATOM 843 O GLY A 53 5.282 10.046 -5.775 1.00 11.25 O ATOM 0 H GLY A 53 1.503 10.475 -4.435 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.911 9.420 -6.741 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.783 11.081 -6.197 1.00 11.77 H new ATOM 847 N ARG A 54 4.327 9.516 -3.899 1.00 8.53 N ATOM 848 CA ARG A 54 5.568 9.387 -3.216 1.00 9.05 C ATOM 849 C ARG A 54 5.924 7.901 -3.410 1.00 8.96 C ATOM 850 O ARG A 54 5.147 7.055 -3.777 1.00 11.60 O ATOM 851 CB ARG A 54 5.391 9.940 -1.762 1.00 7.97 C ATOM 852 CG ARG A 54 6.784 10.387 -1.216 1.00 9.62 C ATOM 853 CD ARG A 54 6.732 10.582 0.341 1.00 12.20 C ATOM 854 NE ARG A 54 5.762 11.670 0.618 1.00 18.23 N ATOM 855 CZ ARG A 54 5.602 12.209 1.844 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.317 11.755 2.884 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.566 13.016 2.093 1.00 23.38 N ATOM 0 H ARG A 54 3.517 9.263 -3.333 1.00 8.53 H new ATOM 0 HA ARG A 54 6.414 9.971 -3.578 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.698 10.782 -1.761 1.00 7.97 H new ATOM 0 HB3 ARG A 54 4.962 9.173 -1.117 1.00 7.97 H new ATOM 0 HG2 ARG A 54 7.536 9.640 -1.469 1.00 9.62 H new ATOM 0 HG3 ARG A 54 7.086 11.319 -1.695 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.425 9.659 0.834 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.718 10.838 0.729 1.00 12.20 H new ATOM 0 HE ARG A 54 5.193 12.025 -0.150 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.987 10.997 2.750 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.191 12.167 3.808 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.894 13.226 1.355 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.447 13.422 3.021 1.00 23.38 H new ATOM 871 N THR A 55 7.234 7.633 -3.221 1.00 9.05 N ATOM 872 CA THR A 55 7.846 6.312 -3.530 1.00 9.03 C ATOM 873 C THR A 55 8.100 5.466 -2.266 1.00 8.15 C ATOM 874 O THR A 55 8.132 6.091 -1.203 1.00 5.91 O ATOM 875 CB THR A 55 9.187 6.347 -4.363 1.00 11.15 C ATOM 876 OG1 THR A 55 10.121 7.164 -3.739 1.00 11.95 O ATOM 877 CG2 THR A 55 9.020 6.794 -5.805 1.00 11.71 C ATOM 0 H THR A 55 7.896 8.316 -2.853 1.00 9.05 H new ATOM 0 HA THR A 55 7.084 5.855 -4.162 1.00 9.03 H new ATOM 0 HB THR A 55 9.532 5.313 -4.396 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.946 6.659 -3.584 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.990 6.789 -6.302 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.344 6.113 -6.321 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.606 7.802 -5.828 1.00 11.71 H new ATOM 885 N LEU A 56 8.082 4.093 -2.364 1.00 6.91 N ATOM 886 CA LEU A 56 8.438 3.179 -1.267 1.00 8.29 C ATOM 887 C LEU A 56 9.893 3.390 -0.758 1.00 8.05 C ATOM 888 O LEU A 56 10.193 3.216 0.446 1.00 10.17 O ATOM 889 CB LEU A 56 8.349 1.688 -1.684 1.00 6.60 C ATOM 890 CG LEU A 56 6.920 1.164 -2.074 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.993 -0.237 -2.665 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.039 1.123 -0.775 1.00 8.64 C ATOM 0 H LEU A 56 7.816 3.607 -3.220 1.00 6.91 H new ATOM 0 HA LEU A 56 7.715 3.412 -0.485 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.016 1.528 -2.531 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.726 1.079 -0.862 1.00 6.60 H new ATOM 0 HG LEU A 56 6.489 1.830 -2.821 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.990 -0.575 -2.926 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.615 -0.222 -3.560 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.426 -0.919 -1.933 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.041 0.762 -1.023 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.496 0.454 -0.046 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.967 2.125 -0.352 1.00 8.64 H new ATOM 904 N SER A 57 10.820 3.759 -1.673 1.00 8.92 N ATOM 905 CA SER A 57 12.144 4.166 -1.247 1.00 9.00 C ATOM 906 C SER A 57 12.211 5.364 -0.364 1.00 9.44 C ATOM 907 O SER A 57 13.031 5.330 0.541 1.00 10.91 O ATOM 908 CB SER A 57 13.225 4.421 -2.346 1.00 10.32 C ATOM 909 OG SER A 57 12.700 5.399 -3.262 1.00 13.59 O ATOM 0 H SER A 57 10.665 3.778 -2.681 1.00 8.92 H new ATOM 0 HA SER A 57 12.380 3.249 -0.707 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.151 4.778 -1.895 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.462 3.495 -2.870 1.00 10.32 H new ATOM 0 HG SER A 57 13.361 5.579 -3.963 1.00 13.59 H new ATOM 915 N ASP A 58 11.405 6.378 -0.579 1.00 9.11 N ATOM 916 CA ASP A 58 11.486 7.577 0.162 1.00 7.91 C ATOM 917 C ASP A 58 11.031 7.391 1.610 1.00 9.12 C ATOM 918 O ASP A 58 11.629 7.986 2.498 1.00 8.61 O ATOM 919 CB ASP A 58 10.631 8.620 -0.635 1.00 8.41 C ATOM 920 CG ASP A 58 10.926 9.963 -0.134 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.846 10.629 -0.698 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.174 10.503 0.695 1.00 10.05 O ATOM 0 H ASP A 58 10.671 6.375 -1.287 1.00 9.11 H new ATOM 0 HA ASP A 58 12.514 7.925 0.261 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.858 8.557 -1.699 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.569 8.401 -0.522 1.00 8.41 H new ATOM 927 N TYR A 59 10.101 6.371 1.884 1.00 7.97 N ATOM 928 CA TYR A 59 9.769 6.011 3.228 1.00 8.45 C ATOM 929 C TYR A 59 10.628 4.889 3.795 1.00 10.98 C ATOM 930 O TYR A 59 10.303 4.328 4.834 1.00 12.95 O ATOM 931 CB TYR A 59 8.304 5.479 3.243 1.00 7.94 C ATOM 932 CG TYR A 59 7.228 6.516 2.992 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.853 7.420 3.967 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.517 6.485 1.743 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.780 8.310 3.685 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.408 7.309 1.543 1.00 6.52 C ATOM 937 CZ TYR A 59 5.113 8.281 2.487 1.00 6.76 C ATOM 938 OH TYR A 59 4.108 9.209 2.295 1.00 7.63 O ATOM 0 H TYR A 59 9.613 5.833 1.168 1.00 7.97 H new ATOM 0 HA TYR A 59 9.924 6.905 3.831 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.213 4.697 2.489 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.116 5.013 4.210 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.362 7.450 4.919 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.842 5.821 0.956 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.482 9.028 4.435 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.789 7.191 0.666 1.00 6.52 H new ATOM 0 HH TYR A 59 4.324 9.769 1.520 1.00 7.63 H new ATOM 948 N ASN A 60 11.703 4.584 3.194 1.00 12.38 N ATOM 949 CA ASN A 60 12.656 3.548 3.497 1.00 13.94 C ATOM 950 C ASN A 60 12.020 2.190 3.765 1.00 14.16 C ATOM 951 O ASN A 60 12.294 1.597 4.795 1.00 14.26 O ATOM 952 CB ASN A 60 13.568 4.040 4.665 1.00 19.23 C ATOM 953 CG ASN A 60 14.131 5.452 4.364 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.061 6.356 5.209 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.658 5.594 3.113 1.00 24.09 N ATOM 0 H ASN A 60 11.992 5.110 2.369 1.00 12.38 H new ATOM 0 HA ASN A 60 13.269 3.371 2.613 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.998 4.061 5.594 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.390 3.339 4.811 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.031 6.496 2.816 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.679 4.798 2.475 1.00 24.09 H new ATOM 962 N ILE A 61 11.161 1.658 2.873 1.00 11.08 N ATOM 963 CA ILE A 61 10.459 0.384 3.023 1.00 11.78 C ATOM 964 C ILE A 61 11.377 -0.680 2.536 1.00 13.74 C ATOM 965 O ILE A 61 11.656 -0.657 1.352 1.00 14.60 O ATOM 966 CB ILE A 61 9.114 0.347 2.420 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.256 1.286 3.307 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.516 -1.083 2.381 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.978 1.884 2.716 1.00 11.42 C ATOM 0 H ILE A 61 10.934 2.128 1.997 1.00 11.08 H new ATOM 0 HA ILE A 61 10.227 0.220 4.075 1.00 11.78 H new ATOM 0 HB ILE A 61 9.143 0.665 1.378 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.979 0.732 4.204 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.891 2.112 3.626 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.525 -1.051 1.927 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.164 -1.732 1.792 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.438 -1.472 3.396 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.494 2.516 3.461 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.228 2.482 1.839 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.301 1.081 2.426 1.00 11.42 H new ATOM 981 N GLN A 62 11.769 -1.652 3.403 1.00 13.97 N ATOM 982 CA GLN A 62 12.658 -2.748 3.165 1.00 15.52 C ATOM 983 C GLN A 62 11.927 -4.002 2.704 1.00 13.94 C ATOM 984 O GLN A 62 10.739 -4.058 2.808 1.00 12.15 O ATOM 985 CB GLN A 62 13.536 -3.025 4.380 1.00 19.53 C ATOM 986 CG GLN A 62 14.454 -1.829 4.685 1.00 26.38 C ATOM 987 CD GLN A 62 15.311 -1.950 5.947 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.302 -2.885 6.763 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.225 -0.967 6.104 1.00 32.71 N ATOM 0 H GLN A 62 11.422 -1.660 4.362 1.00 13.97 H new ATOM 0 HA GLN A 62 13.311 -2.451 2.344 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.908 -3.235 5.246 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.140 -3.914 4.201 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.116 -1.677 3.833 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.837 -0.935 4.772 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.253 -0.187 5.447 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.886 -1.005 6.880 1.00 32.71 H new ATOM 998 N LYS A 63 12.650 -5.056 2.282 1.00 11.73 N ATOM 999 CA LYS A 63 12.108 -6.316 1.916 1.00 11.97 C ATOM 1000 C LYS A 63 11.389 -7.065 3.111 1.00 10.41 C ATOM 1001 O LYS A 63 11.867 -7.091 4.238 1.00 9.59 O ATOM 1002 CB LYS A 63 13.144 -7.146 1.150 1.00 13.73 C ATOM 1003 CG LYS A 63 14.258 -7.803 2.120 1.00 16.98 C ATOM 1004 CD LYS A 63 15.181 -8.706 1.298 1.00 20.19 C ATOM 1005 CE LYS A 63 16.526 -8.889 2.039 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.309 -7.660 2.182 1.00 25.97 N ATOM 0 H LYS A 63 13.666 -5.020 2.194 1.00 11.73 H new ATOM 0 HA LYS A 63 11.288 -6.143 1.219 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.635 -7.937 0.600 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.638 -6.513 0.413 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.838 -7.020 2.608 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.775 -8.380 2.908 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.709 -9.675 1.137 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.353 -8.268 0.315 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.328 -9.297 3.030 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.124 -9.627 1.504 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.306 -7.901 2.351 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.232 -7.096 1.312 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.946 -7.108 2.985 1.00 25.97 H new ATOM 1020 N GLU A 64 10.145 -7.590 2.873 1.00 10.04 N ATOM 1021 CA GLU A 64 9.414 -8.313 3.893 1.00 10.94 C ATOM 1022 C GLU A 64 8.997 -7.490 5.051 1.00 9.74 C ATOM 1023 O GLU A 64 8.873 -7.939 6.178 1.00 9.42 O ATOM 1024 CB GLU A 64 10.131 -9.520 4.369 1.00 18.31 C ATOM 1025 CG GLU A 64 10.229 -10.481 3.197 1.00 24.16 C ATOM 1026 CD GLU A 64 10.787 -11.827 3.579 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.392 -12.477 4.557 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.834 -12.246 2.976 1.00 31.72 O ATOM 0 H GLU A 64 9.656 -7.511 1.981 1.00 10.04 H new ATOM 0 HA GLU A 64 8.504 -8.623 3.379 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.124 -9.258 4.734 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.597 -9.981 5.200 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.239 -10.616 2.762 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.859 -10.039 2.425 1.00 24.16 H new ATOM 1035 N SER A 65 8.655 -6.189 4.781 1.00 6.85 N ATOM 1036 CA SER A 65 8.134 -5.210 5.758 1.00 6.90 C ATOM 1037 C SER A 65 6.594 -5.122 5.536 1.00 4.72 C ATOM 1038 O SER A 65 6.147 -5.025 4.375 1.00 3.91 O ATOM 1039 CB SER A 65 8.685 -3.754 5.589 1.00 7.28 C ATOM 1040 OG SER A 65 8.288 -2.899 6.609 1.00 10.56 O ATOM 0 H SER A 65 8.742 -5.794 3.844 1.00 6.85 H new ATOM 0 HA SER A 65 8.441 -5.560 6.744 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.774 -3.786 5.553 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.346 -3.352 4.634 1.00 7.28 H new ATOM 0 HG SER A 65 7.886 -2.093 6.222 1.00 10.56 H new ATOM 1046 N THR A 66 5.829 -5.256 6.644 1.00 4.48 N ATOM 1047 CA THR A 66 4.344 -5.169 6.682 1.00 3.80 C ATOM 1048 C THR A 66 3.759 -3.770 6.640 1.00 4.60 C ATOM 1049 O THR A 66 3.901 -2.989 7.572 1.00 5.33 O ATOM 1050 CB THR A 66 3.804 -5.858 7.962 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.282 -7.170 8.109 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.307 -6.074 7.831 1.00 3.40 C ATOM 0 H THR A 66 6.235 -5.432 7.563 1.00 4.48 H new ATOM 0 HA THR A 66 4.030 -5.667 5.765 1.00 3.80 H new ATOM 0 HB THR A 66 4.108 -5.212 8.786 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.916 -7.561 8.930 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.929 -6.558 8.731 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.811 -5.112 7.701 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.105 -6.707 6.967 1.00 3.40 H new ATOM 1060 N LEU A 67 3.059 -3.489 5.529 1.00 4.17 N ATOM 1061 CA LEU A 67 2.173 -2.330 5.393 1.00 3.85 C ATOM 1062 C LEU A 67 0.752 -2.644 5.892 1.00 3.80 C ATOM 1063 O LEU A 67 0.338 -3.797 5.784 1.00 5.54 O ATOM 1064 CB LEU A 67 2.063 -1.833 3.880 1.00 7.18 C ATOM 1065 CG LEU A 67 3.368 -1.610 3.146 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.104 -1.201 1.739 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.229 -0.601 3.932 1.00 11.66 C ATOM 0 H LEU A 67 3.096 -4.070 4.691 1.00 4.17 H new ATOM 0 HA LEU A 67 2.619 -1.544 6.003 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.478 -2.565 3.322 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.501 -0.899 3.868 1.00 7.18 H new ATOM 0 HG LEU A 67 3.938 -2.537 3.087 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.051 -1.044 1.222 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.540 -1.984 1.232 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.528 -0.276 1.731 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.170 -0.438 3.406 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.693 0.344 4.019 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.433 -0.995 4.928 1.00 11.66 H new ATOM 1079 N HIS A 68 0.013 -1.642 6.468 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.407 -1.659 6.736 1.00 4.17 C ATOM 1081 C HIS A 68 -2.161 -1.117 5.595 1.00 5.32 C ATOM 1082 O HIS A 68 -1.586 -0.465 4.725 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.705 -0.881 8.025 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.467 -1.717 9.240 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.285 -2.747 9.609 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.476 -1.653 10.159 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.774 -3.266 10.744 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.660 -2.668 11.129 1.00 16.30 N ATOM 0 H HIS A 68 0.446 -0.767 6.762 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.728 -2.691 6.877 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.077 0.009 8.067 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.740 -0.541 8.014 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.332 -0.937 10.154 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -2.228 -4.085 11.282 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.072 -2.886 11.934 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.424 -1.466 5.465 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.328 -1.042 4.365 1.00 3.97 C ATOM 1098 C LEU A 69 -5.664 -0.589 4.998 1.00 5.07 C ATOM 1099 O LEU A 69 -6.179 -1.338 5.861 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.658 -2.251 3.392 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.355 -2.014 2.021 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.614 -3.379 1.267 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.665 -1.206 1.930 1.00 9.96 C ATOM 0 H LEU A 69 -3.887 -2.076 6.138 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.840 -0.248 3.800 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.717 -2.761 3.187 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.283 -2.948 3.951 1.00 6.08 H new ATOM 0 HG LEU A 69 -4.608 -1.364 1.565 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.102 -3.181 0.313 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.664 -3.883 1.091 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -6.255 -4.016 1.877 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.989 -1.154 0.891 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.436 -1.694 2.527 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.498 -0.198 2.308 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.185 0.579 4.647 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.494 1.052 5.108 1.00 6.26 C ATOM 1117 C VAL A 70 -8.280 1.697 3.962 1.00 9.22 C ATOM 1118 O VAL A 70 -7.778 2.154 2.929 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.397 2.051 6.285 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.121 1.239 7.569 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.425 3.204 6.023 1.00 8.54 C ATOM 0 H VAL A 70 -5.710 1.236 4.028 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.020 0.167 5.466 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.343 2.578 6.412 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.047 1.917 8.419 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.936 0.535 7.736 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -6.185 0.691 7.459 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.405 3.867 6.888 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.426 2.805 5.849 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.751 3.762 5.145 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.613 1.667 4.126 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.415 2.296 3.057 1.00 16.06 C ATOM 1133 C LEU A 71 -10.380 3.809 3.008 1.00 18.09 C ATOM 1134 O LEU A 71 -10.212 4.507 4.037 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.963 1.837 3.067 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.144 0.341 2.709 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.609 0.013 2.741 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.611 0.026 1.302 1.00 19.57 C ATOM 0 H LEU A 71 -10.123 1.257 4.908 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.912 1.926 2.164 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.387 2.024 4.053 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.523 2.447 2.358 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.585 -0.252 3.433 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.752 -1.038 2.491 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -14.003 0.205 3.739 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -14.137 0.634 2.017 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.755 -1.033 1.087 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.151 0.623 0.567 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.548 0.264 1.254 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.639 4.407 1.831 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.651 5.899 1.761 1.00 25.83 C ATOM 1152 C ARG A 72 -12.131 6.200 1.511 1.00 27.74 C ATOM 1153 O ARG A 72 -12.788 6.018 0.444 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.750 6.434 0.673 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.706 7.987 0.793 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.668 8.651 -0.150 1.00 34.05 C ATOM 1157 NE ARG A 72 -8.702 10.109 -0.032 1.00 35.08 N ATOM 1158 CZ ARG A 72 -7.775 10.932 -0.546 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.804 10.556 -1.400 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -7.823 12.228 -0.176 1.00 35.02 N ATOM 0 H ARG A 72 -10.834 3.923 0.955 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.262 6.380 2.659 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.748 6.017 0.771 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.123 6.139 -0.308 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.695 8.389 0.572 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.475 8.258 1.823 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.669 8.287 0.091 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.872 8.362 -1.181 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.482 10.528 0.475 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.737 9.583 -1.700 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -6.135 11.244 -1.747 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -8.545 12.547 0.470 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -7.138 12.889 -0.542 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.779 6.784 2.546 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.183 7.146 2.491 1.00 30.76 C ATOM 1176 C LEU A 73 -14.461 8.497 1.798 1.00 32.18 C ATOM 1177 O LEU A 73 -13.624 9.370 1.766 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.898 7.115 3.879 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.714 5.919 4.812 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.345 6.062 6.213 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.310 4.655 4.210 1.00 29.11 C ATOM 0 H LEU A 73 -12.329 7.010 3.433 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.611 6.359 1.870 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.581 8.003 4.426 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.967 7.219 3.694 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.631 5.866 4.928 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.155 5.158 6.792 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.906 6.919 6.724 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.420 6.210 6.114 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.164 3.821 4.897 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.376 4.801 4.039 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.817 4.436 3.263 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.653 8.696 1.134 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.997 10.063 0.654 1.00 35.33 C ATOM 1195 C ARG A 74 -15.898 11.208 1.600 1.00 36.22 C ATOM 1196 O ARG A 74 -16.096 10.980 2.804 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.419 9.994 -0.021 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.648 8.864 -1.064 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.822 8.930 -2.325 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.366 7.952 -3.361 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.808 7.772 -4.568 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.884 8.596 -5.044 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.164 6.686 -5.231 1.00 41.93 N ATOM 0 H ARG A 74 -16.343 7.972 0.934 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.199 10.317 -0.044 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.164 9.884 0.767 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.610 10.950 -0.509 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.453 7.908 -0.579 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.701 8.869 -1.346 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.838 9.943 -2.727 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.782 8.693 -2.100 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.195 7.407 -3.125 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.578 9.395 -4.488 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.480 8.431 -5.966 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.832 6.034 -4.820 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.770 6.500 -6.153 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.437 12.370 1.101 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.168 13.552 1.934 1.00 36.07 C ATOM 1219 C GLY A 75 -13.928 13.402 2.679 1.00 36.16 C ATOM 1220 O GLY A 75 -13.814 13.865 3.791 1.00 36.26 O ATOM 0 H GLY A 75 -15.241 12.514 0.110 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.111 14.439 1.303 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -15.995 13.707 2.627 1.00 36.07 H new ATOM 1224 N GLY A 76 -12.888 12.779 2.097 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.602 12.843 2.705 1.00 36.19 C ATOM 1226 C GLY A 76 -10.497 12.321 1.789 1.00 36.20 C ATOM 1227 O GLY A 76 -10.297 12.836 0.647 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.854 11.290 2.139 1.00 0.00 O ATOM 0 H GLY A 76 -12.936 12.245 1.229 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -11.384 13.875 2.980 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -11.610 12.262 3.627 1.00 36.19 H new TER 1232 GLY A 76