USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 861 hydrogens (15 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 106 GSH H32 : A 106 GSH O32 : A 106 GSH C3 :(short bond) USER MOD NoAdj-H: A 106 GSH H12 : A 106 GSH O12 : A 106 GSH C1 :(short bond) USER MOD Set 1.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 54 ASN : amide:sc= -0.502 K(o=-0.5,f=-6.3!) USER MOD Set 2.1: A 33 SER OG : rot -88:sc= -2.62! USER MOD Set 2.2: A 34 GLN : amide:sc= -0.141 X(o=-2.8,f=-2.8) USER MOD Single : A 1 ALA N :NH3+ 171:sc= -0.0774 (180deg=-0.224) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= -4.32! C(o=-4.3!,f=-4.9!) USER MOD Single : A 7 SER OG : rot 85:sc= 0.836 USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.25) USER MOD Single : A 10 GLN : amide:sc= -0.623 K(o=-0.62,f=-0.048) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc=-0.00164 (180deg=-0.134) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -35:sc= 0.532 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 77:sc= 0.769 USER MOD Single : A 29 GLN : amide:sc= 0.02 X(o=0.02,f=-0.39) USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.0206 (180deg=-0.206) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 48 THR OG1 : rot -18:sc= 0.0647 USER MOD Single : A 50 THR OG1 : rot 130:sc= -0.0274 USER MOD Single : A 51 ASN : amide:sc= -4.91! C(o=-4.9!,f=-9.7!) USER MOD Single : A 52 HIS : no HD1:sc= -4.76! C(o=-4.8!,f=-4.4!) USER MOD Single : A 57 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.49) USER MOD Single : A 59 TYR OH : rot -160:sc= -1.88 USER MOD Single : A 61 GLN : amide:sc= -4! C(o=-4!,f=-3.7!) USER MOD Single : A 62 GLN : amide:sc= -3.56! C(o=-3.6!,f=-5!) USER MOD Single : A 64 THR OG1 : rot -94:sc= -2.28! USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 76 LYS NZ :NH3+ 165:sc= -1.02 (180deg=-1.89) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0551 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -3.29! C(o=-3.3!,f=-3.4!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 91 SER OG : rot 99:sc= 0.982 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -5.45! K(o=-5.5!,f=-2.4) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.243 44.763 4.540 1.00 18.33 N ATOM 2 CA ALA A 1 16.588 44.150 4.351 1.00 16.52 C ATOM 3 C ALA A 1 16.484 42.989 3.359 1.00 15.03 C ATOM 4 O ALA A 1 17.333 42.121 3.314 1.00 16.00 O ATOM 5 CB ALA A 1 17.104 43.630 5.695 1.00 17.21 C ATOM 0 H1 ALA A 1 15.280 45.448 5.322 1.00 18.33 H new ATOM 0 H2 ALA A 1 14.958 45.250 3.667 1.00 18.33 H new ATOM 0 H3 ALA A 1 14.551 44.020 4.763 1.00 18.33 H new ATOM 0 HA ALA A 1 17.278 44.899 3.962 1.00 16.52 H new ATOM 0 HB1 ALA A 1 18.088 43.181 5.558 1.00 17.21 H new ATOM 0 HB2 ALA A 1 17.177 44.457 6.401 1.00 17.21 H new ATOM 0 HB3 ALA A 1 16.415 42.881 6.084 1.00 17.21 H new ATOM 13 N GLN A 2 15.449 42.966 2.565 1.00 14.70 N ATOM 14 CA GLN A 2 15.292 41.861 1.577 1.00 14.58 C ATOM 15 C GLN A 2 16.533 41.804 0.681 1.00 12.38 C ATOM 16 O GLN A 2 17.055 40.746 0.395 1.00 12.11 O ATOM 17 CB GLN A 2 14.044 42.109 0.723 1.00 17.38 C ATOM 18 CG GLN A 2 13.968 43.586 0.332 1.00 22.60 C ATOM 19 CD GLN A 2 12.745 43.814 -0.559 1.00 24.11 C ATOM 20 OE1 GLN A 2 11.842 44.542 -0.196 1.00 29.77 O ATOM 21 NE2 GLN A 2 12.676 43.217 -1.717 1.00 23.75 N ATOM 0 H GLN A 2 14.705 43.664 2.557 1.00 14.70 H new ATOM 0 HA GLN A 2 15.181 40.912 2.102 1.00 14.58 H new ATOM 0 HB2 GLN A 2 14.075 41.488 -0.172 1.00 17.38 H new ATOM 0 HB3 GLN A 2 13.150 41.824 1.278 1.00 17.38 H new ATOM 0 HG2 GLN A 2 13.902 44.207 1.225 1.00 22.60 H new ATOM 0 HG3 GLN A 2 14.875 43.881 -0.195 1.00 22.60 H new ATOM 0 HE21 GLN A 2 13.434 42.606 -2.022 1.00 23.75 H new ATOM 0 HE22 GLN A 2 11.864 43.361 -2.318 1.00 23.75 H new ATOM 30 N GLU A 3 17.016 42.932 0.238 1.00 0.00 N ATOM 31 CA GLU A 3 18.228 42.928 -0.629 1.00 0.00 C ATOM 32 C GLU A 3 19.404 42.342 0.159 1.00 0.00 C ATOM 33 O GLU A 3 20.221 41.613 -0.369 1.00 0.00 O ATOM 34 CB GLU A 3 18.555 44.360 -1.060 1.00 0.00 C ATOM 35 CG GLU A 3 18.342 45.313 0.118 1.00 0.00 C ATOM 36 CD GLU A 3 18.954 46.677 -0.209 1.00 0.00 C ATOM 37 OE1 GLU A 3 18.469 47.317 -1.127 1.00 0.00 O ATOM 38 OE2 GLU A 3 19.898 47.058 0.464 1.00 0.00 O ATOM 0 H GLU A 3 16.626 43.853 0.438 1.00 0.00 H new ATOM 0 HA GLU A 3 18.045 42.322 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.587 44.419 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.920 44.652 -1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.277 45.421 0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 3 18.801 44.903 1.018 1.00 0.00 H new ATOM 45 N PHE A 4 19.487 42.654 1.423 1.00 11.75 N ATOM 46 CA PHE A 4 20.596 42.122 2.265 1.00 10.29 C ATOM 47 C PHE A 4 20.522 40.595 2.317 1.00 10.97 C ATOM 48 O PHE A 4 21.466 39.902 1.999 1.00 7.53 O ATOM 49 CB PHE A 4 20.444 42.673 3.691 1.00 11.72 C ATOM 50 CG PHE A 4 21.463 43.758 3.962 1.00 16.98 C ATOM 51 CD1 PHE A 4 21.580 44.854 3.101 1.00 17.80 C ATOM 52 CD2 PHE A 4 22.291 43.662 5.088 1.00 12.51 C ATOM 53 CE1 PHE A 4 22.526 45.855 3.367 1.00 18.59 C ATOM 54 CE2 PHE A 4 23.235 44.659 5.352 1.00 19.72 C ATOM 55 CZ PHE A 4 23.353 45.756 4.493 1.00 20.03 C ATOM 0 H PHE A 4 18.829 43.260 1.913 1.00 11.75 H new ATOM 0 HA PHE A 4 21.552 42.425 1.839 1.00 10.29 H new ATOM 0 HB2 PHE A 4 19.438 43.071 3.826 1.00 11.72 H new ATOM 0 HB3 PHE A 4 20.567 41.865 4.412 1.00 11.72 H new ATOM 0 HD1 PHE A 4 20.943 44.930 2.232 1.00 17.80 H new ATOM 0 HD2 PHE A 4 22.200 42.816 5.753 1.00 12.51 H new ATOM 0 HE1 PHE A 4 22.617 46.702 2.703 1.00 18.59 H new ATOM 0 HE2 PHE A 4 23.873 44.582 6.220 1.00 19.72 H new ATOM 0 HZ PHE A 4 24.081 46.527 4.698 1.00 20.03 H new ATOM 65 N VAL A 5 19.410 40.077 2.749 1.00 10.96 N ATOM 66 CA VAL A 5 19.253 38.600 2.873 1.00 12.03 C ATOM 67 C VAL A 5 19.110 37.945 1.492 1.00 12.91 C ATOM 68 O VAL A 5 19.648 36.883 1.250 1.00 10.57 O ATOM 69 CB VAL A 5 18.002 38.328 3.708 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.108 39.092 5.036 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.771 38.804 2.931 1.00 9.23 C ATOM 0 H VAL A 5 18.591 40.619 3.026 1.00 10.96 H new ATOM 0 HA VAL A 5 20.136 38.177 3.351 1.00 12.03 H new ATOM 0 HB VAL A 5 17.911 37.261 3.912 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.219 38.902 5.637 1.00 5.33 H new ATOM 0 HG12 VAL A 5 18.991 38.756 5.579 1.00 5.33 H new ATOM 0 HG13 VAL A 5 18.190 40.160 4.836 1.00 5.33 H new ATOM 0 HG21 VAL A 5 15.873 38.614 3.519 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.856 39.873 2.734 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.706 38.265 1.986 1.00 9.23 H new ATOM 81 N ASN A 6 18.393 38.552 0.587 1.00 13.95 N ATOM 82 CA ASN A 6 18.230 37.938 -0.759 1.00 13.93 C ATOM 83 C ASN A 6 19.601 37.708 -1.398 1.00 14.98 C ATOM 84 O ASN A 6 19.806 36.751 -2.118 1.00 13.88 O ATOM 85 CB ASN A 6 17.406 38.870 -1.644 1.00 19.23 C ATOM 86 CG ASN A 6 15.959 38.902 -1.149 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.282 39.898 -1.291 1.00 28.33 O ATOM 88 ND2 ASN A 6 15.451 37.846 -0.572 1.00 26.59 N ATOM 0 H ASN A 6 17.915 39.443 0.721 1.00 13.95 H new ATOM 0 HA ASN A 6 17.719 36.981 -0.657 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.830 39.874 -1.625 1.00 19.23 H new ATOM 0 HB3 ASN A 6 17.439 38.529 -2.679 1.00 19.23 H new ATOM 0 HD21 ASN A 6 14.486 37.860 -0.242 1.00 26.59 H new ATOM 0 HD22 ASN A 6 16.019 37.007 -0.452 1.00 26.59 H new ATOM 95 N SER A 7 20.542 38.573 -1.147 1.00 0.00 N ATOM 96 CA SER A 7 21.891 38.389 -1.750 1.00 0.00 C ATOM 97 C SER A 7 22.619 37.251 -1.031 1.00 0.00 C ATOM 98 O SER A 7 23.632 36.762 -1.491 1.00 0.00 O ATOM 99 CB SER A 7 22.696 39.680 -1.601 1.00 0.00 C ATOM 100 OG SER A 7 22.066 40.717 -2.343 1.00 0.00 O ATOM 0 H SER A 7 20.437 39.396 -0.553 1.00 0.00 H new ATOM 0 HA SER A 7 21.786 38.145 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.764 39.960 -0.550 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.715 39.530 -1.958 1.00 0.00 H new ATOM 0 HG SER A 7 21.367 41.133 -1.796 1.00 0.00 H new ATOM 106 N LYS A 8 22.117 36.833 0.100 1.00 13.50 N ATOM 107 CA LYS A 8 22.785 35.734 0.859 1.00 11.83 C ATOM 108 C LYS A 8 22.116 34.391 0.549 1.00 12.94 C ATOM 109 O LYS A 8 22.770 33.431 0.195 1.00 11.22 O ATOM 110 CB LYS A 8 22.681 36.026 2.356 1.00 13.35 C ATOM 111 CG LYS A 8 23.438 37.317 2.674 1.00 9.72 C ATOM 112 CD LYS A 8 23.444 37.551 4.185 1.00 17.72 C ATOM 113 CE LYS A 8 23.810 39.006 4.481 1.00 15.70 C ATOM 114 NZ LYS A 8 25.145 39.308 3.895 1.00 22.87 N ATOM 0 H LYS A 8 21.272 37.205 0.533 1.00 13.50 H new ATOM 0 HA LYS A 8 23.833 35.679 0.563 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.635 36.123 2.647 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.096 35.197 2.929 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.461 37.252 2.302 1.00 9.72 H new ATOM 0 HG3 LYS A 8 22.968 38.160 2.167 1.00 9.72 H new ATOM 0 HD2 LYS A 8 22.464 37.321 4.602 1.00 17.72 H new ATOM 0 HD3 LYS A 8 24.159 36.882 4.663 1.00 17.72 H new ATOM 0 HE2 LYS A 8 23.057 39.674 4.063 1.00 15.70 H new ATOM 0 HE3 LYS A 8 23.826 39.177 5.557 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 25.510 40.194 4.300 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 25.803 38.532 4.111 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 25.057 39.409 2.864 1.00 22.87 H new ATOM 128 N ILE A 9 20.820 34.311 0.688 1.00 11.05 N ATOM 129 CA ILE A 9 20.119 33.024 0.409 1.00 13.61 C ATOM 130 C ILE A 9 19.919 32.854 -1.095 1.00 12.23 C ATOM 131 O ILE A 9 19.359 33.700 -1.761 1.00 12.72 O ATOM 132 CB ILE A 9 18.752 33.024 1.090 1.00 14.29 C ATOM 133 CG1 ILE A 9 17.956 34.235 0.598 1.00 20.74 C ATOM 134 CG2 ILE A 9 18.936 33.088 2.608 1.00 15.26 C ATOM 135 CD1 ILE A 9 17.039 34.760 1.710 1.00 25.19 C ATOM 0 H ILE A 9 20.217 35.079 0.982 1.00 11.05 H new ATOM 0 HA ILE A 9 20.726 32.204 0.793 1.00 13.61 H new ATOM 0 HB ILE A 9 18.209 32.111 0.844 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.639 35.022 0.279 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.361 33.958 -0.272 1.00 20.74 H new ATOM 0 HG21 ILE A 9 17.960 33.088 3.093 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.507 32.222 2.942 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.472 34.000 2.871 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.480 35.621 1.344 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.343 33.976 2.008 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.641 35.057 2.569 1.00 25.19 H new ATOM 147 N GLN A 10 20.356 31.750 -1.626 1.00 11.13 N ATOM 148 CA GLN A 10 20.183 31.486 -3.077 1.00 10.86 C ATOM 149 C GLN A 10 20.044 29.964 -3.274 1.00 10.00 C ATOM 150 O GLN A 10 20.500 29.203 -2.445 1.00 10.42 O ATOM 151 CB GLN A 10 21.394 32.047 -3.847 1.00 14.27 C ATOM 152 CG GLN A 10 22.388 30.931 -4.176 1.00 22.05 C ATOM 153 CD GLN A 10 23.692 31.548 -4.680 1.00 30.84 C ATOM 154 OE1 GLN A 10 24.242 31.110 -5.672 1.00 32.99 O ATOM 155 NE2 GLN A 10 24.214 32.555 -4.035 1.00 34.61 N ATOM 0 H GLN A 10 20.832 31.010 -1.109 1.00 11.13 H new ATOM 0 HA GLN A 10 19.289 31.977 -3.462 1.00 10.86 H new ATOM 0 HB2 GLN A 10 21.057 32.524 -4.767 1.00 14.27 H new ATOM 0 HB3 GLN A 10 21.886 32.816 -3.251 1.00 14.27 H new ATOM 0 HG2 GLN A 10 22.578 30.325 -3.290 1.00 22.05 H new ATOM 0 HG3 GLN A 10 21.970 30.267 -4.933 1.00 22.05 H new ATOM 0 HE21 GLN A 10 23.752 32.922 -3.203 1.00 34.61 H new ATOM 0 HE22 GLN A 10 25.084 32.975 -4.363 1.00 34.61 H new ATOM 164 N PRO A 11 19.408 29.560 -4.348 1.00 6.53 N ATOM 165 CA PRO A 11 19.193 28.127 -4.636 1.00 7.75 C ATOM 166 C PRO A 11 20.516 27.354 -4.647 1.00 6.33 C ATOM 167 O PRO A 11 21.479 27.750 -5.273 1.00 9.49 O ATOM 168 CB PRO A 11 18.533 28.098 -6.024 1.00 8.32 C ATOM 169 CG PRO A 11 18.292 29.566 -6.457 1.00 7.94 C ATOM 170 CD PRO A 11 18.859 30.479 -5.360 1.00 11.72 C ATOM 0 HA PRO A 11 18.576 27.651 -3.874 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.174 27.587 -6.742 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.592 27.549 -5.989 1.00 8.32 H new ATOM 0 HG2 PRO A 11 18.779 29.768 -7.411 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.227 29.753 -6.597 1.00 7.94 H new ATOM 0 HD2 PRO A 11 19.632 31.139 -5.755 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.083 31.116 -4.936 1.00 11.72 H new ATOM 178 N GLY A 12 20.550 26.239 -3.971 1.00 5.64 N ATOM 179 CA GLY A 12 21.785 25.406 -3.945 1.00 8.39 C ATOM 180 C GLY A 12 22.804 25.977 -2.956 1.00 7.67 C ATOM 181 O GLY A 12 23.987 25.722 -3.062 1.00 10.24 O ATOM 0 H GLY A 12 19.769 25.866 -3.431 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.533 24.383 -3.665 1.00 8.39 H new ATOM 0 HA3 GLY A 12 22.223 25.365 -4.942 1.00 8.39 H new ATOM 185 N LYS A 13 22.367 26.743 -1.992 1.00 9.66 N ATOM 186 CA LYS A 13 23.334 27.314 -1.006 1.00 10.29 C ATOM 187 C LYS A 13 22.709 27.340 0.389 1.00 10.20 C ATOM 188 O LYS A 13 21.575 27.740 0.565 1.00 6.89 O ATOM 189 CB LYS A 13 23.701 28.739 -1.420 1.00 9.77 C ATOM 190 CG LYS A 13 24.901 29.218 -0.603 1.00 10.63 C ATOM 191 CD LYS A 13 25.059 30.730 -0.768 1.00 12.04 C ATOM 192 CE LYS A 13 26.419 31.165 -0.220 1.00 19.12 C ATOM 193 NZ LYS A 13 27.485 30.816 -1.201 1.00 25.36 N ATOM 0 H LYS A 13 21.390 26.997 -1.844 1.00 9.66 H new ATOM 0 HA LYS A 13 24.229 26.692 -0.986 1.00 10.29 H new ATOM 0 HB2 LYS A 13 23.937 28.770 -2.484 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.852 29.404 -1.262 1.00 9.77 H new ATOM 0 HG2 LYS A 13 24.761 28.969 0.449 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.806 28.709 -0.934 1.00 10.63 H new ATOM 0 HD2 LYS A 13 24.975 31.002 -1.820 1.00 12.04 H new ATOM 0 HD3 LYS A 13 24.259 31.249 -0.240 1.00 12.04 H new ATOM 0 HE2 LYS A 13 26.421 32.239 -0.032 1.00 19.12 H new ATOM 0 HE3 LYS A 13 26.613 30.674 0.734 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 28.359 31.325 -0.960 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 27.662 29.792 -1.172 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 27.179 31.087 -2.157 1.00 25.36 H new ATOM 207 N VAL A 14 23.448 26.929 1.386 1.00 10.89 N ATOM 208 CA VAL A 14 22.910 26.945 2.773 1.00 9.99 C ATOM 209 C VAL A 14 23.466 28.164 3.508 1.00 5.01 C ATOM 210 O VAL A 14 24.642 28.464 3.429 1.00 6.68 O ATOM 211 CB VAL A 14 23.331 25.669 3.506 1.00 7.84 C ATOM 212 CG1 VAL A 14 22.806 25.705 4.944 1.00 9.33 C ATOM 213 CG2 VAL A 14 22.749 24.452 2.785 1.00 5.86 C ATOM 0 H VAL A 14 24.403 26.583 1.296 1.00 10.89 H new ATOM 0 HA VAL A 14 21.822 26.996 2.743 1.00 9.99 H new ATOM 0 HB VAL A 14 24.419 25.602 3.518 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.107 24.796 5.464 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.219 26.572 5.460 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.718 25.773 4.933 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.048 23.543 3.306 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.661 24.522 2.773 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.122 24.423 1.761 1.00 5.86 H new ATOM 223 N VAL A 15 22.633 28.869 4.223 1.00 3.11 N ATOM 224 CA VAL A 15 23.111 30.069 4.968 1.00 10.10 C ATOM 225 C VAL A 15 22.414 30.101 6.330 1.00 9.35 C ATOM 226 O VAL A 15 21.254 29.758 6.448 1.00 11.00 O ATOM 227 CB VAL A 15 22.788 31.339 4.151 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.698 32.177 4.837 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.054 32.190 4.003 1.00 10.96 C ATOM 0 H VAL A 15 21.639 28.665 4.324 1.00 3.11 H new ATOM 0 HA VAL A 15 24.190 30.027 5.120 1.00 10.10 H new ATOM 0 HB VAL A 15 22.425 31.029 3.171 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.491 33.065 4.239 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.789 31.584 4.932 1.00 15.82 H new ATOM 0 HG13 VAL A 15 22.040 32.478 5.827 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.825 33.086 3.426 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.417 32.477 4.990 1.00 10.96 H new ATOM 0 HG23 VAL A 15 24.822 31.613 3.487 1.00 10.96 H new ATOM 239 N VAL A 16 23.116 30.492 7.360 1.00 8.87 N ATOM 240 CA VAL A 16 22.502 30.526 8.715 1.00 5.41 C ATOM 241 C VAL A 16 22.627 31.922 9.322 1.00 6.62 C ATOM 242 O VAL A 16 23.710 32.456 9.465 1.00 8.94 O ATOM 243 CB VAL A 16 23.224 29.524 9.621 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.486 29.399 10.963 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.275 28.159 8.932 1.00 5.31 C ATOM 0 H VAL A 16 24.091 30.790 7.319 1.00 8.87 H new ATOM 0 HA VAL A 16 21.447 30.267 8.629 1.00 5.41 H new ATOM 0 HB VAL A 16 24.238 29.877 9.807 1.00 7.47 H new ATOM 0 HG11 VAL A 16 23.007 28.684 11.600 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.459 30.371 11.455 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.467 29.053 10.787 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.789 27.445 9.576 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.260 27.810 8.740 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.812 28.248 7.988 1.00 5.31 H new ATOM 255 N PHE A 17 21.525 32.499 9.715 1.00 5.51 N ATOM 256 CA PHE A 17 21.565 33.839 10.355 1.00 5.80 C ATOM 257 C PHE A 17 21.693 33.615 11.863 1.00 7.23 C ATOM 258 O PHE A 17 20.858 32.976 12.474 1.00 5.39 O ATOM 259 CB PHE A 17 20.270 34.589 10.040 1.00 5.73 C ATOM 260 CG PHE A 17 20.246 34.952 8.573 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.881 33.995 7.618 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.588 36.248 8.169 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.861 34.334 6.259 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.568 36.587 6.811 1.00 5.88 C ATOM 265 CZ PHE A 17 20.204 35.630 5.856 1.00 5.73 C ATOM 0 H PHE A 17 20.593 32.095 9.618 1.00 5.51 H new ATOM 0 HA PHE A 17 22.403 34.431 9.985 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.408 33.969 10.287 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.200 35.489 10.650 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.615 32.996 7.929 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.867 36.987 8.906 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.581 33.596 5.522 1.00 9.93 H new ATOM 0 HE2 PHE A 17 20.833 37.587 6.500 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.188 35.892 4.808 1.00 5.73 H new ATOM 275 N ILE A 18 22.752 34.091 12.460 1.00 8.64 N ATOM 276 CA ILE A 18 22.959 33.858 13.922 1.00 6.83 C ATOM 277 C ILE A 18 23.288 35.159 14.646 1.00 10.62 C ATOM 278 O ILE A 18 23.296 36.233 14.079 1.00 6.74 O ATOM 279 CB ILE A 18 24.141 32.901 14.098 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.336 33.424 13.296 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.764 31.499 13.603 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.603 32.692 13.735 1.00 8.36 C ATOM 0 H ILE A 18 23.484 34.632 12.000 1.00 8.64 H new ATOM 0 HA ILE A 18 22.042 33.443 14.341 1.00 6.83 H new ATOM 0 HB ILE A 18 24.402 32.843 15.155 1.00 6.39 H new ATOM 0 HG12 ILE A 18 25.167 33.273 12.230 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.451 34.497 13.451 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.612 30.827 13.733 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.915 31.127 14.176 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.497 31.546 12.547 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.454 33.064 13.165 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.774 32.866 14.797 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.486 31.623 13.557 1.00 8.36 H new ATOM 294 N LYS A 19 23.583 35.037 15.905 1.00 12.12 N ATOM 295 CA LYS A 19 23.949 36.208 16.737 1.00 15.62 C ATOM 296 C LYS A 19 24.983 35.712 17.754 1.00 16.36 C ATOM 297 O LYS A 19 24.613 35.267 18.820 1.00 13.35 O ATOM 298 CB LYS A 19 22.706 36.729 17.476 1.00 18.25 C ATOM 299 CG LYS A 19 21.882 37.645 16.550 1.00 25.24 C ATOM 300 CD LYS A 19 21.329 38.837 17.341 1.00 30.64 C ATOM 301 CE LYS A 19 20.313 38.343 18.371 1.00 31.75 C ATOM 302 NZ LYS A 19 19.776 39.505 19.133 1.00 38.73 N ATOM 0 H LYS A 19 23.585 34.148 16.405 1.00 12.12 H new ATOM 0 HA LYS A 19 24.348 37.019 16.127 1.00 15.62 H new ATOM 0 HB2 LYS A 19 22.094 35.891 17.809 1.00 18.25 H new ATOM 0 HB3 LYS A 19 23.008 37.278 18.368 1.00 18.25 H new ATOM 0 HG2 LYS A 19 22.505 38.001 15.730 1.00 25.24 H new ATOM 0 HG3 LYS A 19 21.061 37.082 16.105 1.00 25.24 H new ATOM 0 HD2 LYS A 19 22.142 39.363 17.841 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.858 39.549 16.663 1.00 30.64 H new ATOM 0 HE2 LYS A 19 19.501 37.814 17.872 1.00 31.75 H new ATOM 0 HE3 LYS A 19 20.784 37.634 19.052 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 19.085 39.171 19.834 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 20.556 39.991 19.620 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 19.312 40.166 18.477 1.00 38.73 H new ATOM 316 N PRO A 20 26.246 35.759 17.383 1.00 17.46 N ATOM 317 CA PRO A 20 27.333 35.268 18.248 1.00 20.12 C ATOM 318 C PRO A 20 27.170 35.787 19.678 1.00 24.12 C ATOM 319 O PRO A 20 27.939 36.593 20.160 1.00 24.58 O ATOM 320 CB PRO A 20 28.619 35.775 17.584 1.00 20.63 C ATOM 321 CG PRO A 20 28.233 36.303 16.177 1.00 18.08 C ATOM 322 CD PRO A 20 26.697 36.319 16.092 1.00 17.14 C ATOM 0 HA PRO A 20 27.339 34.182 18.340 1.00 20.12 H new ATOM 0 HB2 PRO A 20 29.073 36.566 18.180 1.00 20.63 H new ATOM 0 HB3 PRO A 20 29.353 34.973 17.506 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.636 37.304 16.020 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.653 35.664 15.400 1.00 18.08 H new ATOM 0 HD2 PRO A 20 26.319 37.331 15.945 1.00 17.14 H new ATOM 0 HD3 PRO A 20 26.340 35.720 15.254 1.00 17.14 H new ATOM 330 N THR A 21 26.166 35.302 20.353 1.00 24.78 N ATOM 331 CA THR A 21 25.907 35.718 21.757 1.00 27.36 C ATOM 332 C THR A 21 24.980 34.683 22.393 1.00 24.99 C ATOM 333 O THR A 21 25.097 34.356 23.558 1.00 26.49 O ATOM 334 CB THR A 21 25.224 37.090 21.778 1.00 28.64 C ATOM 335 OG1 THR A 21 24.136 37.086 20.865 1.00 30.99 O ATOM 336 CG2 THR A 21 26.219 38.182 21.377 1.00 34.82 C ATOM 0 H THR A 21 25.502 34.622 19.982 1.00 24.78 H new ATOM 0 HA THR A 21 26.846 35.784 22.307 1.00 27.36 H new ATOM 0 HB THR A 21 24.862 37.293 22.786 1.00 28.64 H new ATOM 0 HG1 THR A 21 24.361 36.529 20.091 1.00 30.99 H new ATOM 0 HG21 THR A 21 25.722 39.152 21.396 1.00 34.82 H new ATOM 0 HG22 THR A 21 27.054 38.189 22.078 1.00 34.82 H new ATOM 0 HG23 THR A 21 26.591 37.984 20.372 1.00 34.82 H new ATOM 344 N CYS A 22 24.055 34.159 21.627 1.00 21.46 N ATOM 345 CA CYS A 22 23.119 33.139 22.175 1.00 17.23 C ATOM 346 C CYS A 22 23.617 31.727 21.796 1.00 14.71 C ATOM 347 O CYS A 22 23.893 31.472 20.641 1.00 13.71 O ATOM 348 CB CYS A 22 21.724 33.375 21.589 1.00 15.71 C ATOM 349 SG CYS A 22 20.479 33.101 22.872 1.00 9.78 S ATOM 0 H CYS A 22 23.911 34.396 20.646 1.00 21.46 H new ATOM 0 HA CYS A 22 23.075 33.221 23.261 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.647 34.391 21.203 1.00 15.71 H new ATOM 0 HB3 CYS A 22 21.551 32.701 20.750 1.00 15.71 H new ATOM 354 N PRO A 23 23.722 30.849 22.773 1.00 13.86 N ATOM 355 CA PRO A 23 24.188 29.465 22.538 1.00 13.47 C ATOM 356 C PRO A 23 23.304 28.732 21.517 1.00 8.59 C ATOM 357 O PRO A 23 23.720 27.755 20.925 1.00 10.79 O ATOM 358 CB PRO A 23 24.111 28.784 23.908 1.00 11.94 C ATOM 359 CG PRO A 23 23.721 29.862 24.943 1.00 7.24 C ATOM 360 CD PRO A 23 23.403 31.156 24.179 1.00 12.58 C ATOM 0 HA PRO A 23 25.195 29.450 22.122 1.00 13.47 H new ATOM 0 HB2 PRO A 23 23.374 27.981 23.896 1.00 11.94 H new ATOM 0 HB3 PRO A 23 25.069 28.334 24.166 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.857 29.539 25.523 1.00 7.24 H new ATOM 0 HG3 PRO A 23 24.535 30.026 25.649 1.00 7.24 H new ATOM 0 HD2 PRO A 23 22.356 31.437 24.295 1.00 12.58 H new ATOM 0 HD3 PRO A 23 24.000 31.990 24.547 1.00 12.58 H new ATOM 368 N TYR A 24 22.099 29.184 21.293 1.00 0.00 N ATOM 369 CA TYR A 24 21.235 28.485 20.297 1.00 0.00 C ATOM 370 C TYR A 24 21.792 28.750 18.902 1.00 0.00 C ATOM 371 O TYR A 24 21.867 27.865 18.073 1.00 0.00 O ATOM 372 CB TYR A 24 19.794 28.992 20.397 1.00 0.00 C ATOM 373 CG TYR A 24 19.072 28.239 21.488 1.00 0.00 C ATOM 374 CD1 TYR A 24 19.201 28.638 22.824 1.00 0.00 C ATOM 375 CD2 TYR A 24 18.273 27.137 21.158 1.00 0.00 C ATOM 376 CE1 TYR A 24 18.529 27.934 23.831 1.00 0.00 C ATOM 377 CE2 TYR A 24 17.602 26.434 22.165 1.00 0.00 C ATOM 378 CZ TYR A 24 17.730 26.832 23.501 1.00 0.00 C ATOM 379 OH TYR A 24 17.067 26.139 24.492 1.00 0.00 O ATOM 0 H TYR A 24 21.680 29.995 21.749 1.00 0.00 H new ATOM 0 HA TYR A 24 21.232 27.414 20.497 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.787 30.061 20.612 1.00 0.00 H new ATOM 0 HB3 TYR A 24 19.282 28.855 19.445 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.818 29.487 23.078 1.00 0.00 H new ATOM 0 HD2 TYR A 24 18.175 26.830 20.127 1.00 0.00 H new ATOM 0 HE1 TYR A 24 18.627 28.241 24.862 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.985 25.584 21.911 1.00 0.00 H new ATOM 0 HH TYR A 24 16.557 25.404 24.092 1.00 0.00 H new ATOM 389 N SER A 25 22.216 29.953 18.647 1.00 0.00 N ATOM 390 CA SER A 25 22.803 30.259 17.318 1.00 0.00 C ATOM 391 C SER A 25 24.100 29.460 17.191 1.00 0.00 C ATOM 392 O SER A 25 24.443 28.959 16.139 1.00 0.00 O ATOM 393 CB SER A 25 23.103 31.758 17.234 1.00 0.00 C ATOM 394 OG SER A 25 22.501 32.414 18.342 1.00 0.00 O ATOM 0 H SER A 25 22.181 30.736 19.300 1.00 0.00 H new ATOM 0 HA SER A 25 22.115 29.994 16.515 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.180 31.927 17.236 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.718 32.167 16.300 1.00 0.00 H new ATOM 0 HG SER A 25 23.036 32.254 19.147 1.00 0.00 H new ATOM 400 N ARG A 26 24.808 29.327 18.275 1.00 16.21 N ATOM 401 CA ARG A 26 26.074 28.547 18.265 1.00 15.67 C ATOM 402 C ARG A 26 25.747 27.079 17.972 1.00 13.70 C ATOM 403 O ARG A 26 26.481 26.387 17.296 1.00 12.41 O ATOM 404 CB ARG A 26 26.733 28.678 19.644 1.00 22.04 C ATOM 405 CG ARG A 26 28.057 27.914 19.678 1.00 31.64 C ATOM 406 CD ARG A 26 29.020 28.486 18.628 1.00 43.08 C ATOM 407 NE ARG A 26 30.428 28.441 19.141 1.00 52.93 N ATOM 408 CZ ARG A 26 30.746 28.952 20.301 1.00 57.80 C ATOM 409 NH1 ARG A 26 29.862 29.623 20.990 1.00 58.61 N ATOM 410 NH2 ARG A 26 31.962 28.820 20.756 1.00 59.59 N ATOM 0 H ARG A 26 24.560 29.730 19.178 1.00 16.21 H new ATOM 0 HA ARG A 26 26.754 28.920 17.500 1.00 15.67 H new ATOM 0 HB2 ARG A 26 26.907 29.730 19.872 1.00 22.04 H new ATOM 0 HB3 ARG A 26 26.063 28.292 20.412 1.00 22.04 H new ATOM 0 HG2 ARG A 26 28.503 27.986 20.670 1.00 31.64 H new ATOM 0 HG3 ARG A 26 27.881 26.856 19.484 1.00 31.64 H new ATOM 0 HD2 ARG A 26 28.943 27.914 17.703 1.00 43.08 H new ATOM 0 HD3 ARG A 26 28.744 29.513 18.391 1.00 43.08 H new ATOM 0 HE ARG A 26 31.153 28.002 18.573 1.00 52.93 H new ATOM 0 HH11 ARG A 26 28.919 29.750 20.623 1.00 58.61 H new ATOM 0 HH12 ARG A 26 30.115 30.020 21.895 1.00 58.61 H new ATOM 0 HH21 ARG A 26 32.661 28.319 20.207 1.00 59.59 H new ATOM 0 HH22 ARG A 26 32.214 29.218 21.661 1.00 59.59 H new ATOM 424 N ARG A 27 24.639 26.604 18.474 1.00 0.00 N ATOM 425 CA ARG A 27 24.251 25.186 18.222 1.00 0.00 C ATOM 426 C ARG A 27 24.186 24.941 16.710 1.00 0.00 C ATOM 427 O ARG A 27 24.762 24.001 16.198 1.00 0.00 O ATOM 428 CB ARG A 27 22.871 24.922 18.851 1.00 0.00 C ATOM 429 CG ARG A 27 22.977 23.845 19.940 1.00 0.00 C ATOM 430 CD ARG A 27 23.594 24.447 21.209 1.00 0.00 C ATOM 431 NE ARG A 27 24.522 23.461 21.845 1.00 0.00 N ATOM 432 CZ ARG A 27 24.194 22.199 21.957 1.00 0.00 C ATOM 433 NH1 ARG A 27 23.010 21.787 21.594 1.00 0.00 N ATOM 434 NH2 ARG A 27 25.047 21.351 22.465 1.00 0.00 N ATOM 0 H ARG A 27 23.985 27.137 19.048 1.00 0.00 H new ATOM 0 HA ARG A 27 24.987 24.515 18.665 1.00 0.00 H new ATOM 0 HB2 ARG A 27 22.477 25.844 19.279 1.00 0.00 H new ATOM 0 HB3 ARG A 27 22.169 24.602 18.081 1.00 0.00 H new ATOM 0 HG2 ARG A 27 21.989 23.441 20.162 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.589 23.016 19.585 1.00 0.00 H new ATOM 0 HD2 ARG A 27 24.135 25.361 20.962 1.00 0.00 H new ATOM 0 HD3 ARG A 27 22.807 24.722 21.911 1.00 0.00 H new ATOM 0 HE ARG A 27 25.425 23.778 22.197 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.332 22.450 21.219 1.00 0.00 H new ATOM 0 HH12 ARG A 27 22.763 20.802 21.685 1.00 0.00 H new ATOM 0 HH21 ARG A 27 25.965 21.673 22.773 1.00 0.00 H new ATOM 0 HH22 ARG A 27 24.796 20.366 22.554 1.00 0.00 H new ATOM 448 N ALA A 28 23.487 25.781 15.994 1.00 0.00 N ATOM 449 CA ALA A 28 23.381 25.596 14.520 1.00 0.00 C ATOM 450 C ALA A 28 24.784 25.578 13.916 1.00 0.00 C ATOM 451 O ALA A 28 25.055 24.880 12.959 1.00 0.00 O ATOM 452 CB ALA A 28 22.584 26.750 13.915 1.00 0.00 C ATOM 0 H ALA A 28 22.985 26.587 16.367 1.00 0.00 H new ATOM 0 HA ALA A 28 22.874 24.655 14.305 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.507 26.613 12.836 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.585 26.770 14.350 1.00 0.00 H new ATOM 0 HB3 ALA A 28 23.090 27.692 14.126 1.00 0.00 H new ATOM 458 N GLN A 29 25.681 26.335 14.475 1.00 19.83 N ATOM 459 CA GLN A 29 27.067 26.355 13.945 1.00 20.83 C ATOM 460 C GLN A 29 27.734 25.018 14.267 1.00 20.95 C ATOM 461 O GLN A 29 28.513 24.491 13.500 1.00 22.85 O ATOM 462 CB GLN A 29 27.847 27.490 14.617 1.00 21.33 C ATOM 463 CG GLN A 29 27.328 28.852 14.129 1.00 34.02 C ATOM 464 CD GLN A 29 28.482 29.859 14.086 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.651 30.647 14.995 1.00 42.72 O ATOM 466 NE2 GLN A 29 29.286 29.866 13.057 1.00 45.49 N ATOM 0 H GLN A 29 25.513 26.942 15.278 1.00 19.83 H new ATOM 0 HA GLN A 29 27.055 26.513 12.867 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.744 27.420 15.700 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.909 27.395 14.391 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.885 28.749 13.138 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.543 29.212 14.794 1.00 34.02 H new ATOM 0 HE21 GLN A 29 29.144 29.204 12.294 1.00 45.49 H new ATOM 0 HE22 GLN A 29 30.056 30.533 13.016 1.00 45.49 H new ATOM 475 N GLU A 30 27.434 24.484 15.413 1.00 22.87 N ATOM 476 CA GLU A 30 28.040 23.190 15.838 1.00 23.32 C ATOM 477 C GLU A 30 27.477 22.014 15.026 1.00 22.32 C ATOM 478 O GLU A 30 28.193 21.094 14.687 1.00 25.42 O ATOM 479 CB GLU A 30 27.732 22.968 17.320 1.00 24.18 C ATOM 480 CG GLU A 30 28.575 23.923 18.169 1.00 32.27 C ATOM 481 CD GLU A 30 30.033 23.458 18.178 1.00 34.97 C ATOM 482 OE1 GLU A 30 30.268 22.299 17.878 1.00 34.69 O ATOM 483 OE2 GLU A 30 30.890 24.269 18.487 1.00 32.92 O ATOM 0 H GLU A 30 26.785 24.893 16.086 1.00 22.87 H new ATOM 0 HA GLU A 30 29.115 23.237 15.667 1.00 23.32 H new ATOM 0 HB2 GLU A 30 26.672 23.136 17.510 1.00 24.18 H new ATOM 0 HB3 GLU A 30 27.946 21.935 17.595 1.00 24.18 H new ATOM 0 HG2 GLU A 30 28.509 24.935 17.769 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.188 23.957 19.187 1.00 32.27 H new ATOM 490 N ILE A 31 26.202 22.011 14.740 1.00 0.00 N ATOM 491 CA ILE A 31 25.611 20.861 13.984 1.00 0.00 C ATOM 492 C ILE A 31 25.950 20.955 12.490 1.00 0.00 C ATOM 493 O ILE A 31 26.644 20.114 11.952 1.00 0.00 O ATOM 494 CB ILE A 31 24.083 20.846 14.184 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.403 20.026 13.070 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.531 22.280 14.178 1.00 0.00 C ATOM 497 CD1 ILE A 31 24.037 18.632 12.975 1.00 0.00 C ATOM 0 H ILE A 31 25.545 22.749 14.994 1.00 0.00 H new ATOM 0 HA ILE A 31 26.037 19.934 14.368 1.00 0.00 H new ATOM 0 HB ILE A 31 23.868 20.384 15.147 1.00 0.00 H new ATOM 0 HG12 ILE A 31 22.336 19.935 13.275 1.00 0.00 H new ATOM 0 HG13 ILE A 31 23.501 20.544 12.116 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.451 22.255 14.320 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.990 22.850 14.986 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.760 22.754 13.224 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.548 18.063 12.185 1.00 0.00 H new ATOM 0 HD12 ILE A 31 25.099 18.730 12.748 1.00 0.00 H new ATOM 0 HD13 ILE A 31 23.916 18.112 13.925 1.00 0.00 H new ATOM 509 N LEU A 32 25.455 21.949 11.808 1.00 16.72 N ATOM 510 CA LEU A 32 25.738 22.060 10.354 1.00 15.05 C ATOM 511 C LEU A 32 27.246 21.995 10.103 1.00 15.55 C ATOM 512 O LEU A 32 27.685 21.641 9.027 1.00 17.28 O ATOM 513 CB LEU A 32 25.159 23.380 9.830 1.00 12.57 C ATOM 514 CG LEU A 32 23.728 23.155 9.314 1.00 8.75 C ATOM 515 CD1 LEU A 32 22.920 24.448 9.453 1.00 10.68 C ATOM 516 CD2 LEU A 32 23.772 22.739 7.835 1.00 12.45 C ATOM 0 H LEU A 32 24.868 22.688 12.195 1.00 16.72 H new ATOM 0 HA LEU A 32 25.271 21.229 9.825 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.155 24.126 10.624 1.00 12.57 H new ATOM 0 HB3 LEU A 32 25.787 23.770 9.029 1.00 12.57 H new ATOM 0 HG LEU A 32 23.256 22.367 9.900 1.00 8.75 H new ATOM 0 HD11 LEU A 32 21.907 24.285 9.086 1.00 10.68 H new ATOM 0 HD12 LEU A 32 22.883 24.743 10.502 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.394 25.238 8.870 1.00 10.68 H new ATOM 0 HD21 LEU A 32 22.757 22.580 7.471 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.248 23.526 7.250 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.342 21.816 7.734 1.00 12.45 H new ATOM 528 N SER A 33 28.048 22.309 11.078 1.00 16.31 N ATOM 529 CA SER A 33 29.518 22.231 10.862 1.00 18.98 C ATOM 530 C SER A 33 29.910 20.763 10.663 1.00 18.49 C ATOM 531 O SER A 33 30.904 20.453 10.036 1.00 21.34 O ATOM 532 CB SER A 33 30.249 22.795 12.079 1.00 19.20 C ATOM 533 OG SER A 33 29.621 22.324 13.263 1.00 24.11 O ATOM 0 H SER A 33 27.755 22.613 12.006 1.00 16.31 H new ATOM 0 HA SER A 33 29.793 22.812 9.982 1.00 18.98 H new ATOM 0 HB2 SER A 33 31.295 22.490 12.063 1.00 19.20 H new ATOM 0 HB3 SER A 33 30.234 23.885 12.054 1.00 19.20 H new ATOM 0 HG SER A 33 28.893 22.932 13.511 1.00 24.11 H new ATOM 539 N GLN A 34 29.136 19.857 11.205 1.00 20.00 N ATOM 540 CA GLN A 34 29.451 18.407 11.067 1.00 24.71 C ATOM 541 C GLN A 34 28.719 17.811 9.859 1.00 23.33 C ATOM 542 O GLN A 34 28.778 16.622 9.620 1.00 26.27 O ATOM 543 CB GLN A 34 29.003 17.681 12.336 1.00 28.15 C ATOM 544 CG GLN A 34 29.628 18.357 13.558 1.00 37.01 C ATOM 545 CD GLN A 34 31.152 18.242 13.485 1.00 41.74 C ATOM 546 OE1 GLN A 34 31.704 17.178 13.680 1.00 44.07 O ATOM 547 NE2 GLN A 34 31.858 19.304 13.210 1.00 41.20 N ATOM 0 H GLN A 34 28.293 20.064 11.741 1.00 20.00 H new ATOM 0 HA GLN A 34 30.524 18.287 10.920 1.00 24.71 H new ATOM 0 HB2 GLN A 34 27.916 17.699 12.413 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.302 16.634 12.294 1.00 28.15 H new ATOM 0 HG2 GLN A 34 29.334 19.406 13.596 1.00 37.01 H new ATOM 0 HG3 GLN A 34 29.261 17.890 14.472 1.00 37.01 H new ATOM 0 HE21 GLN A 34 31.393 20.197 13.046 1.00 41.20 H new ATOM 0 HE22 GLN A 34 32.875 19.241 13.159 1.00 41.20 H new ATOM 556 N LEU A 35 28.023 18.614 9.097 1.00 19.63 N ATOM 557 CA LEU A 35 27.294 18.064 7.922 1.00 15.93 C ATOM 558 C LEU A 35 28.210 18.111 6.684 1.00 13.36 C ATOM 559 O LEU A 35 28.814 19.130 6.412 1.00 16.12 O ATOM 560 CB LEU A 35 26.036 18.907 7.669 1.00 13.69 C ATOM 561 CG LEU A 35 24.890 18.464 8.599 1.00 11.57 C ATOM 562 CD1 LEU A 35 23.634 19.286 8.289 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.570 16.974 8.387 1.00 16.28 C ATOM 0 H LEU A 35 27.930 19.620 9.238 1.00 19.63 H new ATOM 0 HA LEU A 35 27.006 17.031 8.117 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.259 19.961 7.834 1.00 13.69 H new ATOM 0 HB3 LEU A 35 25.727 18.806 6.629 1.00 13.69 H new ATOM 0 HG LEU A 35 25.201 18.622 9.632 1.00 11.57 H new ATOM 0 HD11 LEU A 35 22.823 18.973 8.947 1.00 11.03 H new ATOM 0 HD12 LEU A 35 23.843 20.344 8.449 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.342 19.126 7.251 1.00 11.03 H new ATOM 0 HD21 LEU A 35 23.758 16.678 9.052 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.270 16.810 7.352 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.455 16.377 8.607 1.00 16.28 H new ATOM 575 N PRO A 36 28.296 17.007 5.965 1.00 16.38 N ATOM 576 CA PRO A 36 29.142 16.926 4.759 1.00 17.59 C ATOM 577 C PRO A 36 28.588 17.840 3.665 1.00 19.11 C ATOM 578 O PRO A 36 28.129 17.395 2.633 1.00 21.54 O ATOM 579 CB PRO A 36 29.072 15.456 4.326 1.00 16.71 C ATOM 580 CG PRO A 36 27.958 14.788 5.160 1.00 16.59 C ATOM 581 CD PRO A 36 27.574 15.761 6.284 1.00 15.74 C ATOM 0 HA PRO A 36 30.167 17.245 4.947 1.00 17.59 H new ATOM 0 HB2 PRO A 36 28.854 15.378 3.261 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.028 14.960 4.493 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.093 14.564 4.535 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.305 13.842 5.575 1.00 16.59 H new ATOM 0 HD2 PRO A 36 26.497 15.925 6.315 1.00 15.74 H new ATOM 0 HD3 PRO A 36 27.866 15.373 7.260 1.00 15.74 H new ATOM 589 N ILE A 37 28.633 19.115 3.889 1.00 0.00 N ATOM 590 CA ILE A 37 28.120 20.071 2.872 1.00 0.00 C ATOM 591 C ILE A 37 29.193 20.294 1.804 1.00 0.00 C ATOM 592 O ILE A 37 30.372 20.150 2.056 1.00 0.00 O ATOM 593 CB ILE A 37 27.785 21.402 3.546 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.581 21.206 4.488 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.463 22.446 2.469 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.281 21.595 3.778 1.00 0.00 C ATOM 0 H ILE A 37 29.005 19.543 4.737 1.00 0.00 H new ATOM 0 HA ILE A 37 27.221 19.665 2.408 1.00 0.00 H new ATOM 0 HB ILE A 37 28.635 21.751 4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.529 20.166 4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.709 21.813 5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.223 23.397 2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.327 22.574 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.610 22.110 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.439 21.451 4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.330 22.641 3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.147 20.969 2.895 1.00 0.00 H new ATOM 608 N LYS A 38 28.791 20.638 0.611 1.00 12.68 N ATOM 609 CA LYS A 38 29.782 20.864 -0.477 1.00 12.78 C ATOM 610 C LYS A 38 30.831 21.883 -0.027 1.00 14.66 C ATOM 611 O LYS A 38 30.921 22.223 1.135 1.00 13.94 O ATOM 612 CB LYS A 38 29.058 21.388 -1.718 1.00 11.68 C ATOM 613 CG LYS A 38 28.156 20.290 -2.291 1.00 12.28 C ATOM 614 CD LYS A 38 28.942 19.442 -3.299 1.00 13.74 C ATOM 615 CE LYS A 38 28.912 20.116 -4.673 1.00 20.88 C ATOM 616 NZ LYS A 38 27.575 19.910 -5.297 1.00 29.41 N ATOM 0 H LYS A 38 27.816 20.772 0.343 1.00 12.68 H new ATOM 0 HA LYS A 38 30.280 19.923 -0.711 1.00 12.78 H new ATOM 0 HB2 LYS A 38 28.463 22.264 -1.461 1.00 11.68 H new ATOM 0 HB3 LYS A 38 29.783 21.704 -2.468 1.00 11.68 H new ATOM 0 HG2 LYS A 38 27.781 19.658 -1.486 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.288 20.737 -2.777 1.00 12.28 H new ATOM 0 HD2 LYS A 38 29.972 19.323 -2.964 1.00 13.74 H new ATOM 0 HD3 LYS A 38 28.510 18.443 -3.364 1.00 13.74 H new ATOM 0 HE2 LYS A 38 29.118 21.182 -4.572 1.00 20.88 H new ATOM 0 HE3 LYS A 38 29.691 19.700 -5.311 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 27.646 20.053 -6.325 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 27.247 18.942 -5.104 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 26.897 20.591 -4.898 1.00 29.41 H new ATOM 630 N GLN A 39 31.631 22.361 -0.944 1.00 0.00 N ATOM 631 CA GLN A 39 32.690 23.353 -0.593 1.00 0.00 C ATOM 632 C GLN A 39 32.097 24.529 0.190 1.00 0.00 C ATOM 633 O GLN A 39 31.336 24.355 1.120 1.00 0.00 O ATOM 634 CB GLN A 39 33.344 23.870 -1.877 1.00 0.00 C ATOM 635 CG GLN A 39 33.849 22.686 -2.707 1.00 0.00 C ATOM 636 CD GLN A 39 34.852 23.180 -3.753 1.00 0.00 C ATOM 637 OE1 GLN A 39 35.925 23.636 -3.413 1.00 0.00 O ATOM 638 NE2 GLN A 39 34.547 23.107 -5.021 1.00 0.00 N ATOM 0 H GLN A 39 31.595 22.104 -1.930 1.00 0.00 H new ATOM 0 HA GLN A 39 33.435 22.862 0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 39 32.626 24.452 -2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.172 24.536 -1.633 1.00 0.00 H new ATOM 0 HG2 GLN A 39 34.320 21.948 -2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 39 33.012 22.190 -3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 39 33.646 22.724 -5.308 1.00 0.00 H new ATOM 0 HE22 GLN A 39 35.210 23.433 -5.725 1.00 0.00 H new ATOM 647 N GLY A 40 32.456 25.730 -0.174 1.00 11.96 N ATOM 648 CA GLY A 40 31.934 26.921 0.549 1.00 8.67 C ATOM 649 C GLY A 40 30.429 27.047 0.332 1.00 10.51 C ATOM 650 O GLY A 40 29.936 28.071 -0.096 1.00 15.27 O ATOM 0 H GLY A 40 33.091 25.937 -0.945 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.150 26.833 1.614 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.437 27.821 0.195 1.00 8.67 H new ATOM 654 N LEU A 41 29.695 26.013 0.629 1.00 8.78 N ATOM 655 CA LEU A 41 28.211 26.071 0.450 1.00 6.78 C ATOM 656 C LEU A 41 27.550 26.328 1.804 1.00 7.45 C ATOM 657 O LEU A 41 26.407 26.734 1.882 1.00 2.18 O ATOM 658 CB LEU A 41 27.706 24.740 -0.131 1.00 6.98 C ATOM 659 CG LEU A 41 26.853 24.995 -1.386 1.00 7.77 C ATOM 660 CD1 LEU A 41 27.762 25.094 -2.616 1.00 7.97 C ATOM 661 CD2 LEU A 41 25.854 23.843 -1.570 1.00 6.68 C ATOM 0 H LEU A 41 30.054 25.129 0.988 1.00 8.78 H new ATOM 0 HA LEU A 41 27.958 26.878 -0.238 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.552 24.100 -0.382 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.116 24.210 0.616 1.00 6.98 H new ATOM 0 HG LEU A 41 26.307 25.931 -1.269 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.155 25.275 -3.503 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.465 25.916 -2.484 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.313 24.161 -2.737 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.250 24.024 -2.459 1.00 6.68 H new ATOM 0 HD22 LEU A 41 26.397 22.905 -1.685 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.205 23.781 -0.697 1.00 6.68 H new ATOM 673 N LEU A 42 28.267 26.100 2.869 1.00 7.13 N ATOM 674 CA LEU A 42 27.701 26.336 4.225 1.00 6.20 C ATOM 675 C LEU A 42 28.316 27.610 4.795 1.00 5.03 C ATOM 676 O LEU A 42 29.518 27.786 4.776 1.00 5.38 O ATOM 677 CB LEU A 42 28.046 25.151 5.130 1.00 3.82 C ATOM 678 CG LEU A 42 27.609 25.445 6.569 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.110 25.758 6.604 1.00 3.57 C ATOM 680 CD2 LEU A 42 27.896 24.222 7.446 1.00 2.48 C ATOM 0 H LEU A 42 29.228 25.758 2.857 1.00 7.13 H new ATOM 0 HA LEU A 42 26.618 26.441 4.167 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.551 24.250 4.768 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.119 24.959 5.099 1.00 3.82 H new ATOM 0 HG LEU A 42 28.163 26.305 6.945 1.00 3.80 H new ATOM 0 HD11 LEU A 42 25.806 25.966 7.630 1.00 3.57 H new ATOM 0 HD12 LEU A 42 25.905 26.629 5.981 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.551 24.902 6.226 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.586 24.428 8.470 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.343 23.363 7.065 1.00 2.48 H new ATOM 0 HD23 LEU A 42 28.964 24.003 7.427 1.00 2.48 H new ATOM 692 N GLU A 43 27.511 28.506 5.292 1.00 5.92 N ATOM 693 CA GLU A 43 28.067 29.771 5.849 1.00 7.54 C ATOM 694 C GLU A 43 27.329 30.151 7.132 1.00 6.00 C ATOM 695 O GLU A 43 26.347 29.542 7.509 1.00 4.97 O ATOM 696 CB GLU A 43 27.903 30.887 4.815 1.00 8.77 C ATOM 697 CG GLU A 43 28.527 32.182 5.345 1.00 16.17 C ATOM 698 CD GLU A 43 28.835 33.118 4.174 1.00 21.65 C ATOM 699 OE1 GLU A 43 28.035 33.165 3.254 1.00 19.19 O ATOM 700 OE2 GLU A 43 29.864 33.772 4.217 1.00 22.03 O ATOM 0 H GLU A 43 26.496 28.419 5.337 1.00 5.92 H new ATOM 0 HA GLU A 43 29.123 29.630 6.079 1.00 7.54 H new ATOM 0 HB2 GLU A 43 28.380 30.600 3.878 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.846 31.043 4.600 1.00 8.77 H new ATOM 0 HG2 GLU A 43 27.845 32.668 6.043 1.00 16.17 H new ATOM 0 HG3 GLU A 43 29.441 31.959 5.896 1.00 16.17 H new ATOM 707 N PHE A 44 27.802 31.169 7.795 1.00 7.78 N ATOM 708 CA PHE A 44 27.157 31.636 9.054 1.00 9.60 C ATOM 709 C PHE A 44 27.049 33.161 8.986 1.00 6.71 C ATOM 710 O PHE A 44 28.040 33.865 8.996 1.00 6.85 O ATOM 711 CB PHE A 44 28.015 31.211 10.248 1.00 12.09 C ATOM 712 CG PHE A 44 28.353 29.744 10.114 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.405 28.773 10.461 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.611 29.355 9.638 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.715 27.414 10.330 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.921 27.995 9.509 1.00 16.33 C ATOM 717 CZ PHE A 44 28.973 27.025 9.856 1.00 10.85 C ATOM 0 H PHE A 44 28.622 31.706 7.513 1.00 7.78 H new ATOM 0 HA PHE A 44 26.165 31.200 9.172 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.928 31.806 10.286 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.479 31.390 11.180 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.435 29.073 10.830 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.342 30.103 9.370 1.00 15.90 H new ATOM 0 HE1 PHE A 44 26.983 26.665 10.595 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.891 27.695 9.142 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.213 25.976 9.758 1.00 10.85 H new ATOM 727 N VAL A 45 25.853 33.673 8.865 1.00 6.10 N ATOM 728 CA VAL A 45 25.676 35.150 8.737 1.00 6.58 C ATOM 729 C VAL A 45 25.362 35.800 10.088 1.00 6.12 C ATOM 730 O VAL A 45 24.253 35.734 10.579 1.00 5.14 O ATOM 731 CB VAL A 45 24.518 35.420 7.771 1.00 5.25 C ATOM 732 CG1 VAL A 45 24.188 36.914 7.764 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.919 34.977 6.362 1.00 2.33 C ATOM 0 H VAL A 45 24.989 33.131 8.849 1.00 6.10 H new ATOM 0 HA VAL A 45 26.606 35.579 8.365 1.00 6.58 H new ATOM 0 HB VAL A 45 23.640 34.861 8.094 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.364 37.101 7.076 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.901 37.228 8.768 1.00 2.00 H new ATOM 0 HG13 VAL A 45 25.064 37.479 7.444 1.00 2.00 H new ATOM 0 HG21 VAL A 45 24.097 35.168 5.673 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.798 35.536 6.041 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.148 33.911 6.367 1.00 2.33 H new ATOM 743 N ASP A 46 26.325 36.465 10.671 1.00 6.79 N ATOM 744 CA ASP A 46 26.081 37.161 11.962 1.00 6.49 C ATOM 745 C ASP A 46 25.406 38.503 11.658 1.00 9.11 C ATOM 746 O ASP A 46 26.038 39.437 11.207 1.00 7.52 O ATOM 747 CB ASP A 46 27.415 37.394 12.674 1.00 7.84 C ATOM 748 CG ASP A 46 28.236 36.103 12.652 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.776 35.123 13.214 1.00 10.50 O ATOM 750 OD2 ASP A 46 29.311 36.117 12.075 1.00 15.32 O ATOM 0 H ASP A 46 27.273 36.554 10.304 1.00 6.79 H new ATOM 0 HA ASP A 46 25.441 36.560 12.608 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.966 38.197 12.184 1.00 7.84 H new ATOM 0 HB3 ASP A 46 27.240 37.709 13.703 1.00 7.84 H new ATOM 755 N ILE A 47 24.122 38.596 11.870 1.00 8.21 N ATOM 756 CA ILE A 47 23.403 39.867 11.559 1.00 8.33 C ATOM 757 C ILE A 47 23.934 41.016 12.418 1.00 10.92 C ATOM 758 O ILE A 47 23.525 42.150 12.263 1.00 9.40 O ATOM 759 CB ILE A 47 21.908 39.690 11.813 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.679 39.152 13.228 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.337 38.701 10.798 1.00 3.40 C ATOM 762 CD1 ILE A 47 20.206 39.330 13.602 1.00 7.93 C ATOM 0 H ILE A 47 23.539 37.848 12.245 1.00 8.21 H new ATOM 0 HA ILE A 47 23.572 40.109 10.510 1.00 8.33 H new ATOM 0 HB ILE A 47 21.410 40.654 11.711 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.955 38.099 13.278 1.00 6.34 H new ATOM 0 HG13 ILE A 47 22.314 39.682 13.938 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.269 38.572 10.976 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.493 39.084 9.789 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.841 37.740 10.903 1.00 3.40 H new ATOM 0 HD11 ILE A 47 20.038 38.948 14.609 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.947 40.388 13.567 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.583 38.780 12.897 1.00 7.93 H new ATOM 774 N THR A 48 24.838 40.746 13.319 1.00 13.41 N ATOM 775 CA THR A 48 25.380 41.843 14.173 1.00 16.67 C ATOM 776 C THR A 48 26.658 42.393 13.538 1.00 16.58 C ATOM 777 O THR A 48 27.121 43.464 13.878 1.00 18.03 O ATOM 778 CB THR A 48 25.693 41.301 15.571 1.00 15.80 C ATOM 779 OG1 THR A 48 26.292 42.324 16.354 1.00 21.06 O ATOM 780 CG2 THR A 48 26.652 40.116 15.459 1.00 21.72 C ATOM 0 H THR A 48 25.224 39.819 13.501 1.00 13.41 H new ATOM 0 HA THR A 48 24.641 42.640 14.255 1.00 16.67 H new ATOM 0 HB THR A 48 24.768 40.974 16.047 1.00 15.80 H new ATOM 0 HG1 THR A 48 26.630 43.031 15.765 1.00 21.06 H new ATOM 0 HG21 THR A 48 26.873 39.732 16.455 1.00 21.72 H new ATOM 0 HG22 THR A 48 26.191 39.330 14.861 1.00 21.72 H new ATOM 0 HG23 THR A 48 27.577 40.440 14.981 1.00 21.72 H new ATOM 788 N ALA A 49 27.228 41.671 12.613 1.00 15.36 N ATOM 789 CA ALA A 49 28.473 42.153 11.951 1.00 18.08 C ATOM 790 C ALA A 49 28.120 43.233 10.925 1.00 20.63 C ATOM 791 O ALA A 49 28.942 43.633 10.125 1.00 22.45 O ATOM 792 CB ALA A 49 29.162 40.985 11.243 1.00 18.76 C ATOM 0 H ALA A 49 26.885 40.767 12.287 1.00 15.36 H new ATOM 0 HA ALA A 49 29.144 42.569 12.702 1.00 18.08 H new ATOM 0 HB1 ALA A 49 30.072 41.339 10.759 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.414 40.215 11.972 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.491 40.568 10.492 1.00 18.76 H new ATOM 798 N THR A 50 26.901 43.706 10.939 1.00 22.30 N ATOM 799 CA THR A 50 26.496 44.758 9.959 1.00 25.27 C ATOM 800 C THR A 50 25.544 45.757 10.624 1.00 24.34 C ATOM 801 O THR A 50 25.354 46.852 10.138 1.00 25.49 O ATOM 802 CB THR A 50 25.794 44.099 8.767 1.00 22.85 C ATOM 803 OG1 THR A 50 25.571 45.073 7.757 1.00 23.28 O ATOM 804 CG2 THR A 50 24.455 43.511 9.218 1.00 25.63 C ATOM 0 H THR A 50 26.169 43.410 11.585 1.00 22.30 H new ATOM 0 HA THR A 50 27.385 45.288 9.616 1.00 25.27 H new ATOM 0 HB THR A 50 26.421 43.300 8.372 1.00 22.85 H new ATOM 0 HG1 THR A 50 25.894 44.732 6.897 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.958 43.043 8.368 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.628 42.764 9.993 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.824 44.306 9.615 1.00 25.63 H new ATOM 812 N ASN A 51 24.948 45.384 11.726 1.00 0.00 N ATOM 813 CA ASN A 51 24.003 46.301 12.440 1.00 0.00 C ATOM 814 C ASN A 51 22.610 46.186 11.814 1.00 0.00 C ATOM 815 O ASN A 51 22.354 45.314 11.008 1.00 0.00 O ATOM 816 CB ASN A 51 24.492 47.754 12.361 1.00 0.00 C ATOM 817 CG ASN A 51 26.013 47.793 12.530 1.00 0.00 C ATOM 818 OD1 ASN A 51 26.636 46.778 12.770 1.00 0.00 O ATOM 819 ND2 ASN A 51 26.641 48.931 12.414 1.00 0.00 N ATOM 0 H ASN A 51 25.075 44.474 12.169 1.00 0.00 H new ATOM 0 HA ASN A 51 23.958 46.011 13.490 1.00 0.00 H new ATOM 0 HB2 ASN A 51 24.211 48.191 11.403 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.014 48.352 13.137 1.00 0.00 H new ATOM 0 HD21 ASN A 51 27.654 48.968 12.525 1.00 0.00 H new ATOM 0 HD22 ASN A 51 26.119 49.784 12.212 1.00 0.00 H new ATOM 826 N HIS A 52 21.706 47.053 12.181 1.00 0.00 N ATOM 827 CA HIS A 52 20.332 46.982 11.606 1.00 0.00 C ATOM 828 C HIS A 52 19.758 45.588 11.871 1.00 0.00 C ATOM 829 O HIS A 52 18.891 45.117 11.165 1.00 0.00 O ATOM 830 CB HIS A 52 20.387 47.238 10.092 1.00 0.00 C ATOM 831 CG HIS A 52 21.648 47.984 9.750 1.00 0.00 C ATOM 832 ND1 HIS A 52 22.648 47.423 8.972 1.00 0.00 N ATOM 833 CD2 HIS A 52 22.085 49.245 10.071 1.00 0.00 C ATOM 834 CE1 HIS A 52 23.629 48.336 8.853 1.00 0.00 C ATOM 835 NE2 HIS A 52 23.337 49.465 9.504 1.00 0.00 N ATOM 0 H HIS A 52 21.858 47.806 12.852 1.00 0.00 H new ATOM 0 HA HIS A 52 19.699 47.739 12.070 1.00 0.00 H new ATOM 0 HB2 HIS A 52 20.355 46.292 9.552 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.516 47.814 9.779 1.00 0.00 H new ATOM 0 HD2 HIS A 52 21.540 49.958 10.672 1.00 0.00 H new ATOM 0 HE1 HIS A 52 24.542 48.175 8.298 1.00 0.00 H new ATOM 0 HE2 HIS A 52 23.908 50.307 9.571 1.00 0.00 H new ATOM 843 N THR A 53 20.248 44.924 12.879 1.00 18.27 N ATOM 844 CA THR A 53 19.751 43.555 13.192 1.00 16.01 C ATOM 845 C THR A 53 18.224 43.501 13.073 1.00 16.57 C ATOM 846 O THR A 53 17.678 42.658 12.391 1.00 18.87 O ATOM 847 CB THR A 53 20.159 43.182 14.621 1.00 15.02 C ATOM 848 OG1 THR A 53 19.925 44.289 15.481 1.00 13.32 O ATOM 849 CG2 THR A 53 21.644 42.813 14.654 1.00 9.59 C ATOM 0 H THR A 53 20.976 45.272 13.503 1.00 18.27 H new ATOM 0 HA THR A 53 20.187 42.851 12.483 1.00 16.01 H new ATOM 0 HB THR A 53 19.570 42.328 14.955 1.00 15.02 H new ATOM 0 HG1 THR A 53 20.184 44.053 16.396 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.931 42.548 15.672 1.00 9.59 H new ATOM 0 HG22 THR A 53 21.823 41.964 13.994 1.00 9.59 H new ATOM 0 HG23 THR A 53 22.238 43.664 14.319 1.00 9.59 H new ATOM 857 N ASN A 54 17.533 44.387 13.738 1.00 13.94 N ATOM 858 CA ASN A 54 16.041 44.370 13.680 1.00 18.93 C ATOM 859 C ASN A 54 15.562 44.373 12.228 1.00 16.34 C ATOM 860 O ASN A 54 14.562 43.768 11.901 1.00 15.61 O ATOM 861 CB ASN A 54 15.490 45.604 14.398 1.00 24.12 C ATOM 862 CG ASN A 54 16.015 45.635 15.835 1.00 35.27 C ATOM 863 OD1 ASN A 54 16.970 44.958 16.159 1.00 45.21 O ATOM 864 ND2 ASN A 54 15.426 46.397 16.716 1.00 37.58 N ATOM 0 H ASN A 54 17.936 45.122 14.319 1.00 13.94 H new ATOM 0 HA ASN A 54 15.681 43.464 14.168 1.00 18.93 H new ATOM 0 HB2 ASN A 54 15.790 46.509 13.870 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.400 45.582 14.398 1.00 24.12 H new ATOM 0 HD21 ASN A 54 15.768 46.424 17.677 1.00 37.58 H new ATOM 0 HD22 ASN A 54 14.624 46.965 16.444 1.00 37.58 H new ATOM 871 N GLU A 55 16.257 45.040 11.351 1.00 16.09 N ATOM 872 CA GLU A 55 15.812 45.057 9.929 1.00 15.04 C ATOM 873 C GLU A 55 15.900 43.641 9.355 1.00 15.56 C ATOM 874 O GLU A 55 14.995 43.175 8.693 1.00 18.95 O ATOM 875 CB GLU A 55 16.707 45.997 9.118 1.00 18.55 C ATOM 876 CG GLU A 55 16.484 47.439 9.580 1.00 23.55 C ATOM 877 CD GLU A 55 17.209 48.400 8.634 1.00 30.41 C ATOM 878 OE1 GLU A 55 17.618 47.960 7.572 1.00 31.49 O ATOM 879 OE2 GLU A 55 17.341 49.560 8.988 1.00 33.02 O ATOM 0 H GLU A 55 17.105 45.569 11.553 1.00 16.09 H new ATOM 0 HA GLU A 55 14.782 45.410 9.875 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.754 45.721 9.246 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.481 45.905 8.056 1.00 18.55 H new ATOM 0 HG2 GLU A 55 15.418 47.665 9.597 1.00 23.55 H new ATOM 0 HG3 GLU A 55 16.853 47.567 10.598 1.00 23.55 H new ATOM 886 N ILE A 56 16.979 42.947 9.605 1.00 9.56 N ATOM 887 CA ILE A 56 17.102 41.562 9.073 1.00 8.91 C ATOM 888 C ILE A 56 16.115 40.647 9.802 1.00 7.70 C ATOM 889 O ILE A 56 15.351 39.936 9.185 1.00 9.84 O ATOM 890 CB ILE A 56 18.534 41.054 9.262 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.473 41.799 8.291 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.579 39.548 8.973 1.00 2.31 C ATOM 893 CD1 ILE A 56 20.169 42.949 9.026 1.00 8.03 C ATOM 0 H ILE A 56 17.774 43.278 10.151 1.00 9.56 H new ATOM 0 HA ILE A 56 16.871 41.561 8.008 1.00 8.91 H new ATOM 0 HB ILE A 56 18.858 41.236 10.287 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.215 41.110 7.888 1.00 6.47 H new ATOM 0 HG13 ILE A 56 18.905 42.186 7.445 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.597 39.182 9.106 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.913 39.026 9.660 1.00 2.31 H new ATOM 0 HG23 ILE A 56 18.259 39.365 7.947 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.832 43.473 8.337 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.420 43.643 9.408 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.751 42.550 9.857 1.00 8.03 H new ATOM 905 N GLN A 57 16.102 40.658 11.108 1.00 7.49 N ATOM 906 CA GLN A 57 15.132 39.780 11.823 1.00 6.88 C ATOM 907 C GLN A 57 13.742 40.155 11.346 1.00 9.50 C ATOM 908 O GLN A 57 12.896 39.314 11.117 1.00 11.03 O ATOM 909 CB GLN A 57 15.220 40.003 13.332 1.00 11.02 C ATOM 910 CG GLN A 57 16.679 40.229 13.731 1.00 12.13 C ATOM 911 CD GLN A 57 16.956 39.571 15.086 1.00 16.77 C ATOM 912 OE1 GLN A 57 17.605 38.546 15.154 1.00 17.49 O ATOM 913 NE2 GLN A 57 16.487 40.120 16.173 1.00 17.84 N ATOM 0 H GLN A 57 16.708 41.225 11.701 1.00 7.49 H new ATOM 0 HA GLN A 57 15.354 38.733 11.617 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.616 40.864 13.619 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.817 39.140 13.862 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.341 39.812 12.972 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.889 41.297 13.786 1.00 12.13 H new ATOM 0 HE21 GLN A 57 15.942 40.980 16.116 1.00 17.84 H new ATOM 0 HE22 GLN A 57 16.665 39.689 17.080 1.00 17.84 H new ATOM 922 N ASP A 58 13.513 41.424 11.168 1.00 13.48 N ATOM 923 CA ASP A 58 12.191 41.867 10.676 1.00 13.94 C ATOM 924 C ASP A 58 11.935 41.143 9.355 1.00 13.32 C ATOM 925 O ASP A 58 10.819 40.801 9.019 1.00 14.28 O ATOM 926 CB ASP A 58 12.218 43.381 10.444 1.00 12.80 C ATOM 927 CG ASP A 58 11.999 44.113 11.770 1.00 17.19 C ATOM 928 OD1 ASP A 58 12.224 43.506 12.804 1.00 18.84 O ATOM 929 OD2 ASP A 58 11.612 45.269 11.729 1.00 15.13 O ATOM 0 H ASP A 58 14.186 42.170 11.343 1.00 13.48 H new ATOM 0 HA ASP A 58 11.406 41.640 11.397 1.00 13.94 H new ATOM 0 HB2 ASP A 58 13.174 43.675 10.010 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.444 43.663 9.730 1.00 12.80 H new ATOM 934 N TYR A 59 12.984 40.886 8.619 1.00 12.69 N ATOM 935 CA TYR A 59 12.838 40.153 7.328 1.00 10.10 C ATOM 936 C TYR A 59 12.620 38.667 7.619 1.00 7.75 C ATOM 937 O TYR A 59 11.687 38.064 7.130 1.00 5.81 O ATOM 938 CB TYR A 59 14.094 40.344 6.469 1.00 12.40 C ATOM 939 CG TYR A 59 14.239 39.179 5.517 1.00 12.76 C ATOM 940 CD1 TYR A 59 13.538 39.157 4.304 1.00 6.81 C ATOM 941 CD2 TYR A 59 15.083 38.118 5.855 1.00 11.52 C ATOM 942 CE1 TYR A 59 13.681 38.069 3.432 1.00 10.94 C ATOM 943 CE2 TYR A 59 15.228 37.032 4.985 1.00 8.47 C ATOM 944 CZ TYR A 59 14.528 37.006 3.774 1.00 9.37 C ATOM 945 OH TYR A 59 14.674 35.934 2.919 1.00 12.99 O ATOM 0 H TYR A 59 13.939 41.153 8.858 1.00 12.69 H new ATOM 0 HA TYR A 59 11.982 40.546 6.780 1.00 10.10 H new ATOM 0 HB2 TYR A 59 14.026 41.277 5.910 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.975 40.418 7.106 1.00 12.40 H new ATOM 0 HD1 TYR A 59 12.888 39.978 4.041 1.00 6.81 H new ATOM 0 HD2 TYR A 59 15.624 38.136 6.789 1.00 11.52 H new ATOM 0 HE1 TYR A 59 13.139 38.050 2.498 1.00 10.94 H new ATOM 0 HE2 TYR A 59 15.881 36.213 5.248 1.00 8.47 H new ATOM 0 HH TYR A 59 15.022 35.164 3.416 1.00 12.99 H new ATOM 955 N LEU A 60 13.466 38.070 8.416 1.00 10.71 N ATOM 956 CA LEU A 60 13.275 36.627 8.726 1.00 11.04 C ATOM 957 C LEU A 60 11.858 36.441 9.255 1.00 10.32 C ATOM 958 O LEU A 60 11.229 35.425 9.050 1.00 14.61 O ATOM 959 CB LEU A 60 14.286 36.166 9.788 1.00 7.24 C ATOM 960 CG LEU A 60 15.701 36.642 9.435 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.645 36.336 10.602 1.00 9.54 C ATOM 962 CD2 LEU A 60 16.206 35.911 8.187 1.00 7.23 C ATOM 0 H LEU A 60 14.270 38.514 8.860 1.00 10.71 H new ATOM 0 HA LEU A 60 13.431 36.033 7.826 1.00 11.04 H new ATOM 0 HB2 LEU A 60 13.999 36.557 10.764 1.00 7.24 H new ATOM 0 HB3 LEU A 60 14.271 35.079 9.863 1.00 7.24 H new ATOM 0 HG LEU A 60 15.675 37.715 9.242 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.651 36.673 10.354 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.299 36.855 11.496 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.658 35.262 10.788 1.00 9.54 H new ATOM 0 HD21 LEU A 60 17.211 36.256 7.945 1.00 7.23 H new ATOM 0 HD22 LEU A 60 16.227 34.838 8.377 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.540 36.118 7.350 1.00 7.23 H new ATOM 974 N GLN A 61 11.350 37.428 9.927 1.00 10.78 N ATOM 975 CA GLN A 61 9.970 37.333 10.468 1.00 11.72 C ATOM 976 C GLN A 61 8.960 37.207 9.321 1.00 14.05 C ATOM 977 O GLN A 61 8.164 36.293 9.278 1.00 14.24 O ATOM 978 CB GLN A 61 9.676 38.605 11.265 1.00 17.47 C ATOM 979 CG GLN A 61 8.173 38.747 11.517 1.00 25.06 C ATOM 980 CD GLN A 61 7.648 37.503 12.231 1.00 31.26 C ATOM 981 OE1 GLN A 61 6.718 36.872 11.769 1.00 40.45 O ATOM 982 NE2 GLN A 61 8.208 37.123 13.347 1.00 30.05 N ATOM 0 H GLN A 61 11.834 38.304 10.127 1.00 10.78 H new ATOM 0 HA GLN A 61 9.885 36.454 11.107 1.00 11.72 H new ATOM 0 HB2 GLN A 61 10.209 38.576 12.216 1.00 17.47 H new ATOM 0 HB3 GLN A 61 10.043 39.475 10.720 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.978 39.633 12.121 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.648 38.884 10.572 1.00 25.06 H new ATOM 0 HE21 GLN A 61 8.989 37.654 13.733 1.00 30.05 H new ATOM 0 HE22 GLN A 61 7.865 36.295 13.833 1.00 30.05 H new ATOM 991 N GLN A 62 8.965 38.144 8.416 1.00 15.71 N ATOM 992 CA GLN A 62 7.980 38.116 7.296 1.00 18.54 C ATOM 993 C GLN A 62 8.216 36.923 6.362 1.00 19.36 C ATOM 994 O GLN A 62 7.317 36.149 6.100 1.00 19.52 O ATOM 995 CB GLN A 62 8.109 39.415 6.498 1.00 25.59 C ATOM 996 CG GLN A 62 6.846 39.641 5.665 1.00 34.08 C ATOM 997 CD GLN A 62 6.795 38.623 4.526 1.00 38.28 C ATOM 998 OE1 GLN A 62 6.121 37.616 4.622 1.00 41.81 O ATOM 999 NE2 GLN A 62 7.482 38.848 3.440 1.00 36.81 N ATOM 0 H GLN A 62 9.612 38.933 8.402 1.00 15.71 H new ATOM 0 HA GLN A 62 6.980 38.016 7.719 1.00 18.54 H new ATOM 0 HB2 GLN A 62 8.263 40.255 7.176 1.00 25.59 H new ATOM 0 HB3 GLN A 62 8.981 39.367 5.846 1.00 25.59 H new ATOM 0 HG2 GLN A 62 5.961 39.543 6.294 1.00 34.08 H new ATOM 0 HG3 GLN A 62 6.840 40.654 5.262 1.00 34.08 H new ATOM 0 HE21 GLN A 62 8.047 39.693 3.360 1.00 36.81 H new ATOM 0 HE22 GLN A 62 7.454 38.179 2.671 1.00 36.81 H new ATOM 1008 N LEU A 63 9.396 36.784 5.827 1.00 17.09 N ATOM 1009 CA LEU A 63 9.646 35.659 4.876 1.00 16.00 C ATOM 1010 C LEU A 63 9.485 34.305 5.566 1.00 11.34 C ATOM 1011 O LEU A 63 9.094 33.334 4.949 1.00 10.68 O ATOM 1012 CB LEU A 63 11.061 35.768 4.302 1.00 19.91 C ATOM 1013 CG LEU A 63 11.235 34.731 3.178 1.00 21.77 C ATOM 1014 CD1 LEU A 63 11.593 35.429 1.863 1.00 21.25 C ATOM 1015 CD2 LEU A 63 12.351 33.750 3.545 1.00 19.51 C ATOM 0 H LEU A 63 10.194 37.394 6.003 1.00 17.09 H new ATOM 0 HA LEU A 63 8.912 35.729 4.073 1.00 16.00 H new ATOM 0 HB2 LEU A 63 11.233 36.773 3.915 1.00 19.91 H new ATOM 0 HB3 LEU A 63 11.798 35.598 5.087 1.00 19.91 H new ATOM 0 HG LEU A 63 10.296 34.191 3.055 1.00 21.77 H new ATOM 0 HD11 LEU A 63 11.713 34.684 1.077 1.00 21.25 H new ATOM 0 HD12 LEU A 63 10.796 36.120 1.589 1.00 21.25 H new ATOM 0 HD13 LEU A 63 12.525 35.980 1.986 1.00 21.25 H new ATOM 0 HD21 LEU A 63 12.470 33.018 2.746 1.00 19.51 H new ATOM 0 HD22 LEU A 63 13.285 34.295 3.679 1.00 19.51 H new ATOM 0 HD23 LEU A 63 12.094 33.237 4.472 1.00 19.51 H new ATOM 1027 N THR A 64 9.787 34.219 6.829 1.00 10.04 N ATOM 1028 CA THR A 64 9.655 32.908 7.539 1.00 8.87 C ATOM 1029 C THR A 64 8.490 32.968 8.524 1.00 10.75 C ATOM 1030 O THR A 64 7.523 32.243 8.401 1.00 11.38 O ATOM 1031 CB THR A 64 10.943 32.596 8.308 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.888 33.208 9.590 1.00 6.36 O ATOM 1033 CG2 THR A 64 12.155 33.122 7.538 1.00 6.96 C ATOM 0 H THR A 64 10.119 34.994 7.403 1.00 10.04 H new ATOM 0 HA THR A 64 9.473 32.127 6.801 1.00 8.87 H new ATOM 0 HB THR A 64 11.039 31.516 8.422 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.325 34.084 9.553 1.00 6.36 H new ATOM 0 HG21 THR A 64 13.065 32.895 8.093 1.00 6.96 H new ATOM 0 HG22 THR A 64 12.199 32.645 6.559 1.00 6.96 H new ATOM 0 HG23 THR A 64 12.066 34.201 7.413 1.00 6.96 H new ATOM 1041 N GLY A 65 8.577 33.817 9.509 1.00 10.19 N ATOM 1042 CA GLY A 65 7.480 33.914 10.511 1.00 13.28 C ATOM 1043 C GLY A 65 8.090 34.110 11.896 1.00 14.66 C ATOM 1044 O GLY A 65 7.661 34.944 12.663 1.00 14.79 O ATOM 0 H GLY A 65 9.362 34.449 9.664 1.00 10.19 H new ATOM 0 HA2 GLY A 65 6.821 34.747 10.268 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.871 33.010 10.492 1.00 13.28 H new ATOM 1048 N ALA A 66 9.096 33.343 12.215 1.00 12.02 N ATOM 1049 CA ALA A 66 9.754 33.479 13.546 1.00 9.85 C ATOM 1050 C ALA A 66 11.010 34.337 13.402 1.00 14.04 C ATOM 1051 O ALA A 66 11.766 34.200 12.461 1.00 17.81 O ATOM 1052 CB ALA A 66 10.130 32.089 14.082 1.00 13.74 C ATOM 0 H ALA A 66 9.492 32.625 11.609 1.00 12.02 H new ATOM 0 HA ALA A 66 9.068 33.956 14.246 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.611 32.192 15.055 1.00 13.74 H new ATOM 0 HB2 ALA A 66 9.230 31.483 14.184 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.817 31.605 13.388 1.00 13.74 H new ATOM 1058 N ARG A 67 11.240 35.213 14.333 1.00 15.81 N ATOM 1059 CA ARG A 67 12.444 36.074 14.274 1.00 16.07 C ATOM 1060 C ARG A 67 13.415 35.595 15.344 1.00 14.37 C ATOM 1061 O ARG A 67 14.213 36.348 15.865 1.00 14.43 O ATOM 1062 CB ARG A 67 12.030 37.502 14.574 1.00 15.97 C ATOM 1063 CG ARG A 67 11.187 37.537 15.859 1.00 17.12 C ATOM 1064 CD ARG A 67 11.753 38.644 16.754 1.00 22.31 C ATOM 1065 NE ARG A 67 11.763 40.000 16.093 1.00 23.80 N ATOM 1066 CZ ARG A 67 11.291 40.221 14.897 1.00 23.98 C ATOM 1067 NH1 ARG A 67 10.368 39.468 14.377 1.00 29.76 N ATOM 1068 NH2 ARG A 67 11.650 41.306 14.266 1.00 21.50 N ATOM 0 H ARG A 67 10.638 35.370 15.141 1.00 15.81 H new ATOM 0 HA ARG A 67 12.912 36.026 13.291 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.913 38.130 14.690 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.457 37.908 13.740 1.00 15.97 H new ATOM 0 HG2 ARG A 67 10.140 37.731 15.625 1.00 17.12 H new ATOM 0 HG3 ARG A 67 11.226 36.575 16.369 1.00 17.12 H new ATOM 0 HD2 ARG A 67 11.164 38.698 17.669 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.770 38.382 17.045 1.00 22.31 H new ATOM 0 HE ARG A 67 12.160 40.786 16.608 1.00 23.80 H new ATOM 0 HH11 ARG A 67 9.994 38.681 14.907 1.00 29.76 H new ATOM 0 HH12 ARG A 67 10.018 39.665 13.439 1.00 29.76 H new ATOM 0 HH21 ARG A 67 12.290 41.965 14.709 1.00 21.50 H new ATOM 0 HH22 ARG A 67 11.290 41.494 13.330 1.00 21.50 H new ATOM 1082 N THR A 68 13.326 34.344 15.692 1.00 13.52 N ATOM 1083 CA THR A 68 14.212 33.798 16.747 1.00 14.97 C ATOM 1084 C THR A 68 15.583 33.472 16.148 1.00 12.85 C ATOM 1085 O THR A 68 15.782 33.547 14.952 1.00 10.80 O ATOM 1086 CB THR A 68 13.571 32.520 17.311 1.00 13.06 C ATOM 1087 OG1 THR A 68 12.271 32.368 16.757 1.00 18.26 O ATOM 1088 CG2 THR A 68 13.471 32.609 18.836 1.00 14.06 C ATOM 0 H THR A 68 12.672 33.674 15.287 1.00 13.52 H new ATOM 0 HA THR A 68 14.341 34.530 17.544 1.00 14.97 H new ATOM 0 HB THR A 68 14.189 31.661 17.048 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.857 31.553 17.112 1.00 18.26 H new ATOM 0 HG21 THR A 68 13.015 31.698 19.225 1.00 14.06 H new ATOM 0 HG22 THR A 68 14.468 32.725 19.260 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.858 33.467 19.111 1.00 14.06 H new ATOM 1096 N VAL A 69 16.526 33.107 16.976 1.00 8.20 N ATOM 1097 CA VAL A 69 17.890 32.768 16.473 1.00 5.92 C ATOM 1098 C VAL A 69 18.182 31.301 16.806 1.00 5.25 C ATOM 1099 O VAL A 69 17.887 30.864 17.894 1.00 5.78 O ATOM 1100 CB VAL A 69 18.921 33.652 17.188 1.00 4.36 C ATOM 1101 CG1 VAL A 69 20.280 33.535 16.505 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.469 35.112 17.150 1.00 4.08 C ATOM 0 H VAL A 69 16.409 33.029 17.986 1.00 8.20 H new ATOM 0 HA VAL A 69 17.944 32.931 15.397 1.00 5.92 H new ATOM 0 HB VAL A 69 19.005 33.319 18.222 1.00 4.36 H new ATOM 0 HG11 VAL A 69 21.002 34.167 17.022 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.616 32.498 16.538 1.00 2.07 H new ATOM 0 HG13 VAL A 69 20.194 33.856 15.467 1.00 2.07 H new ATOM 0 HG21 VAL A 69 19.205 35.734 17.659 1.00 4.08 H new ATOM 0 HG22 VAL A 69 18.374 35.437 16.114 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.505 35.208 17.650 1.00 4.08 H new ATOM 1112 N PRO A 70 18.763 30.573 15.884 1.00 5.33 N ATOM 1113 CA PRO A 70 19.143 31.061 14.546 1.00 6.04 C ATOM 1114 C PRO A 70 17.956 30.975 13.585 1.00 7.79 C ATOM 1115 O PRO A 70 16.822 30.765 13.971 1.00 7.15 O ATOM 1116 CB PRO A 70 20.221 30.067 14.096 1.00 3.22 C ATOM 1117 CG PRO A 70 20.046 28.795 14.963 1.00 6.88 C ATOM 1118 CD PRO A 70 19.120 29.169 16.132 1.00 6.17 C ATOM 0 HA PRO A 70 19.475 32.099 14.560 1.00 6.04 H new ATOM 0 HB2 PRO A 70 20.112 29.831 13.037 1.00 3.22 H new ATOM 0 HB3 PRO A 70 21.217 30.491 14.227 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.616 27.984 14.375 1.00 6.88 H new ATOM 0 HG3 PRO A 70 21.010 28.445 15.332 1.00 6.88 H new ATOM 0 HD2 PRO A 70 18.235 28.533 16.157 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.624 29.051 17.091 1.00 6.17 H new ATOM 1126 N ARG A 71 18.248 31.102 12.329 1.00 6.15 N ATOM 1127 CA ARG A 71 17.217 31.001 11.270 1.00 7.10 C ATOM 1128 C ARG A 71 17.927 30.413 10.051 1.00 4.23 C ATOM 1129 O ARG A 71 18.630 31.101 9.336 1.00 6.47 O ATOM 1130 CB ARG A 71 16.656 32.389 10.952 1.00 10.23 C ATOM 1131 CG ARG A 71 15.390 32.246 10.092 1.00 15.67 C ATOM 1132 CD ARG A 71 14.118 32.325 10.951 1.00 20.29 C ATOM 1133 NE ARG A 71 13.257 31.154 10.590 1.00 26.05 N ATOM 1134 CZ ARG A 71 12.036 31.055 11.031 1.00 19.78 C ATOM 1135 NH1 ARG A 71 11.522 32.019 11.739 1.00 22.60 N ATOM 1136 NH2 ARG A 71 11.317 30.005 10.742 1.00 23.53 N ATOM 0 H ARG A 71 19.191 31.278 11.981 1.00 6.15 H new ATOM 0 HA ARG A 71 16.378 30.377 11.577 1.00 7.10 H new ATOM 0 HB2 ARG A 71 16.423 32.919 11.876 1.00 10.23 H new ATOM 0 HB3 ARG A 71 17.402 32.982 10.424 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.370 33.032 9.337 1.00 15.67 H new ATOM 0 HG3 ARG A 71 15.414 31.294 9.561 1.00 15.67 H new ATOM 0 HD2 ARG A 71 14.370 32.303 12.011 1.00 20.29 H new ATOM 0 HD3 ARG A 71 13.589 33.260 10.768 1.00 20.29 H new ATOM 0 HE ARG A 71 13.634 30.421 9.988 1.00 26.05 H new ATOM 0 HH11 ARG A 71 12.076 32.850 11.947 1.00 22.60 H new ATOM 0 HH12 ARG A 71 10.566 31.943 12.085 1.00 22.60 H new ATOM 0 HH21 ARG A 71 11.711 29.259 10.169 1.00 23.53 H new ATOM 0 HH22 ARG A 71 10.361 29.930 11.089 1.00 23.53 H new ATOM 1150 N VAL A 72 17.802 29.130 9.847 1.00 4.55 N ATOM 1151 CA VAL A 72 18.527 28.472 8.720 1.00 6.53 C ATOM 1152 C VAL A 72 17.749 28.599 7.414 1.00 8.68 C ATOM 1153 O VAL A 72 16.559 28.847 7.403 1.00 6.48 O ATOM 1154 CB VAL A 72 18.719 26.995 9.058 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.420 26.289 7.893 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.572 26.874 10.331 1.00 3.35 C ATOM 0 H VAL A 72 17.227 28.506 10.414 1.00 4.55 H new ATOM 0 HA VAL A 72 19.491 28.963 8.587 1.00 6.53 H new ATOM 0 HB VAL A 72 17.749 26.527 9.226 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.556 25.235 8.135 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.811 26.379 6.994 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.392 26.750 7.720 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.712 25.821 10.577 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.543 27.340 10.164 1.00 3.35 H new ATOM 0 HG23 VAL A 72 19.067 27.375 11.157 1.00 3.35 H new ATOM 1166 N PHE A 73 18.429 28.439 6.306 1.00 5.39 N ATOM 1167 CA PHE A 73 17.752 28.558 4.986 1.00 6.90 C ATOM 1168 C PHE A 73 18.359 27.584 3.975 1.00 7.16 C ATOM 1169 O PHE A 73 19.318 27.906 3.302 1.00 14.07 O ATOM 1170 CB PHE A 73 17.942 29.972 4.440 1.00 6.44 C ATOM 1171 CG PHE A 73 17.122 30.958 5.231 1.00 9.57 C ATOM 1172 CD1 PHE A 73 17.626 31.494 6.421 1.00 3.78 C ATOM 1173 CD2 PHE A 73 15.864 31.351 4.762 1.00 12.42 C ATOM 1174 CE1 PHE A 73 16.872 32.424 7.142 1.00 6.98 C ATOM 1175 CE2 PHE A 73 15.107 32.278 5.485 1.00 11.45 C ATOM 1176 CZ PHE A 73 15.611 32.816 6.674 1.00 7.54 C ATOM 0 H PHE A 73 19.427 28.231 6.263 1.00 5.39 H new ATOM 0 HA PHE A 73 16.695 28.332 5.128 1.00 6.90 H new ATOM 0 HB2 PHE A 73 18.996 30.247 4.486 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.649 30.005 3.391 1.00 6.44 H new ATOM 0 HD1 PHE A 73 18.597 31.189 6.782 1.00 3.78 H new ATOM 0 HD2 PHE A 73 15.478 30.939 3.842 1.00 12.42 H new ATOM 0 HE1 PHE A 73 17.261 32.840 8.059 1.00 6.98 H new ATOM 0 HE2 PHE A 73 14.134 32.578 5.126 1.00 11.45 H new ATOM 0 HZ PHE A 73 15.028 33.534 7.231 1.00 7.54 H new ATOM 1186 N ILE A 74 17.790 26.423 3.810 1.00 5.91 N ATOM 1187 CA ILE A 74 18.335 25.498 2.780 1.00 7.08 C ATOM 1188 C ILE A 74 17.928 26.088 1.437 1.00 8.52 C ATOM 1189 O ILE A 74 16.768 26.070 1.074 1.00 6.64 O ATOM 1190 CB ILE A 74 17.725 24.104 2.942 1.00 6.37 C ATOM 1191 CG1 ILE A 74 17.593 23.777 4.432 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.622 23.067 2.258 1.00 4.80 C ATOM 1193 CD1 ILE A 74 18.943 23.966 5.129 1.00 9.34 C ATOM 0 H ILE A 74 16.985 26.079 4.334 1.00 5.91 H new ATOM 0 HA ILE A 74 19.417 25.395 2.868 1.00 7.08 H new ATOM 0 HB ILE A 74 16.738 24.081 2.479 1.00 6.37 H new ATOM 0 HG12 ILE A 74 16.844 24.423 4.890 1.00 6.27 H new ATOM 0 HG13 ILE A 74 17.249 22.750 4.559 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.186 22.075 2.375 1.00 4.80 H new ATOM 0 HG22 ILE A 74 18.708 23.303 1.197 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.612 23.084 2.715 1.00 4.80 H new ATOM 0 HD11 ILE A 74 18.841 23.732 6.189 1.00 9.34 H new ATOM 0 HD12 ILE A 74 19.681 23.301 4.679 1.00 9.34 H new ATOM 0 HD13 ILE A 74 19.269 25.000 5.016 1.00 9.34 H new ATOM 1205 N GLY A 75 18.841 26.677 0.721 1.00 9.27 N ATOM 1206 CA GLY A 75 18.432 27.326 -0.548 1.00 9.68 C ATOM 1207 C GLY A 75 17.449 28.427 -0.152 1.00 12.42 C ATOM 1208 O GLY A 75 17.560 28.993 0.918 1.00 11.15 O ATOM 0 H GLY A 75 19.832 26.736 0.954 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.294 27.740 -1.071 1.00 9.68 H new ATOM 0 HA3 GLY A 75 17.965 26.608 -1.222 1.00 9.68 H new ATOM 1212 N LYS A 76 16.476 28.727 -0.958 1.00 14.40 N ATOM 1213 CA LYS A 76 15.501 29.777 -0.544 1.00 16.68 C ATOM 1214 C LYS A 76 14.423 29.131 0.336 1.00 16.27 C ATOM 1215 O LYS A 76 13.472 29.769 0.745 1.00 14.00 O ATOM 1216 CB LYS A 76 14.861 30.410 -1.780 1.00 23.46 C ATOM 1217 CG LYS A 76 15.957 30.999 -2.673 1.00 30.10 C ATOM 1218 CD LYS A 76 15.329 31.908 -3.737 1.00 38.66 C ATOM 1219 CE LYS A 76 14.742 33.167 -3.083 1.00 42.17 C ATOM 1220 NZ LYS A 76 15.560 33.553 -1.898 1.00 44.86 N ATOM 0 H LYS A 76 16.311 28.302 -1.870 1.00 14.40 H new ATOM 0 HA LYS A 76 16.014 30.557 0.018 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.290 29.663 -2.331 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.161 31.190 -1.482 1.00 23.46 H new ATOM 0 HG2 LYS A 76 16.665 31.566 -2.069 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.518 30.197 -3.152 1.00 30.10 H new ATOM 0 HD2 LYS A 76 16.081 32.190 -4.474 1.00 38.66 H new ATOM 0 HD3 LYS A 76 14.546 31.368 -4.270 1.00 38.66 H new ATOM 0 HE2 LYS A 76 14.721 33.985 -3.803 1.00 42.17 H new ATOM 0 HE3 LYS A 76 13.711 32.983 -2.780 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 15.323 34.525 -1.614 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 15.359 32.904 -1.111 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 16.570 33.500 -2.141 1.00 44.86 H new ATOM 1234 N ASP A 77 14.568 27.860 0.621 1.00 0.00 N ATOM 1235 CA ASP A 77 13.561 27.145 1.466 1.00 0.00 C ATOM 1236 C ASP A 77 13.935 27.235 2.950 1.00 0.00 C ATOM 1237 O ASP A 77 14.873 26.607 3.402 1.00 0.00 O ATOM 1238 CB ASP A 77 13.515 25.675 1.051 1.00 0.00 C ATOM 1239 CG ASP A 77 13.087 25.570 -0.413 1.00 0.00 C ATOM 1240 OD1 ASP A 77 12.328 26.420 -0.850 1.00 0.00 O ATOM 1241 OD2 ASP A 77 13.526 24.643 -1.074 1.00 0.00 O ATOM 0 H ASP A 77 15.346 27.283 0.302 1.00 0.00 H new ATOM 0 HA ASP A 77 12.587 27.612 1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.495 25.217 1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.816 25.129 1.685 1.00 0.00 H new ATOM 1246 N SER A 78 13.196 27.992 3.715 1.00 0.00 N ATOM 1247 CA SER A 78 13.492 28.103 5.173 1.00 0.00 C ATOM 1248 C SER A 78 13.057 26.814 5.877 1.00 0.00 C ATOM 1249 O SER A 78 12.067 26.209 5.514 1.00 0.00 O ATOM 1250 CB SER A 78 12.723 29.287 5.761 1.00 0.00 C ATOM 1251 OG SER A 78 12.925 29.327 7.168 1.00 0.00 O ATOM 0 H SER A 78 12.398 28.540 3.393 1.00 0.00 H new ATOM 0 HA SER A 78 14.561 28.257 5.318 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.063 30.218 5.307 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.660 29.192 5.537 1.00 0.00 H new ATOM 0 HG SER A 78 12.435 30.086 7.547 1.00 0.00 H new ATOM 1257 N ILE A 79 13.776 26.394 6.886 1.00 14.84 N ATOM 1258 CA ILE A 79 13.385 25.148 7.617 1.00 16.24 C ATOM 1259 C ILE A 79 12.959 25.509 9.041 1.00 13.64 C ATOM 1260 O ILE A 79 12.237 24.776 9.687 1.00 15.36 O ATOM 1261 CB ILE A 79 14.566 24.173 7.679 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.855 24.921 8.072 1.00 18.59 C ATOM 1263 CG2 ILE A 79 14.751 23.500 6.316 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.669 24.064 9.052 1.00 20.45 C ATOM 0 H ILE A 79 14.615 26.857 7.236 1.00 14.84 H new ATOM 0 HA ILE A 79 12.559 24.674 7.087 1.00 16.24 H new ATOM 0 HB ILE A 79 14.358 23.413 8.432 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.448 25.137 7.183 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.607 25.878 8.530 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.591 22.807 6.363 1.00 15.93 H new ATOM 0 HG22 ILE A 79 13.845 22.954 6.054 1.00 15.93 H new ATOM 0 HG23 ILE A 79 14.949 24.259 5.559 1.00 15.93 H new ATOM 0 HD11 ILE A 79 17.580 24.594 9.329 1.00 20.45 H new ATOM 0 HD12 ILE A 79 16.076 23.871 9.946 1.00 20.45 H new ATOM 0 HD13 ILE A 79 16.930 23.118 8.578 1.00 20.45 H new ATOM 1276 N GLY A 80 13.397 26.637 9.532 1.00 12.42 N ATOM 1277 CA GLY A 80 13.019 27.053 10.915 1.00 13.73 C ATOM 1278 C GLY A 80 14.254 27.562 11.658 1.00 12.94 C ATOM 1279 O GLY A 80 15.205 28.027 11.061 1.00 13.82 O ATOM 0 H GLY A 80 14.002 27.290 9.034 1.00 12.42 H new ATOM 0 HA2 GLY A 80 12.260 27.834 10.875 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.582 26.211 11.451 1.00 13.73 H new ATOM 1283 N GLY A 81 14.241 27.481 12.961 1.00 12.24 N ATOM 1284 CA GLY A 81 15.404 27.963 13.761 1.00 10.24 C ATOM 1285 C GLY A 81 16.263 26.778 14.201 1.00 11.98 C ATOM 1286 O GLY A 81 16.454 25.829 13.467 1.00 12.42 O ATOM 0 H GLY A 81 13.470 27.099 13.509 1.00 12.24 H new ATOM 0 HA2 GLY A 81 16.002 28.656 13.168 1.00 10.24 H new ATOM 0 HA3 GLY A 81 15.052 28.512 14.635 1.00 10.24 H new ATOM 1290 N SER A 82 16.796 26.837 15.388 1.00 0.00 N ATOM 1291 CA SER A 82 17.661 25.730 15.878 1.00 0.00 C ATOM 1292 C SER A 82 16.822 24.492 16.186 1.00 0.00 C ATOM 1293 O SER A 82 16.948 23.468 15.544 1.00 0.00 O ATOM 1294 CB SER A 82 18.383 26.184 17.145 1.00 0.00 C ATOM 1295 OG SER A 82 18.625 25.059 17.978 1.00 0.00 O ATOM 0 H SER A 82 16.669 27.608 16.043 1.00 0.00 H new ATOM 0 HA SER A 82 18.386 25.476 15.105 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.325 26.669 16.887 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.781 26.921 17.676 1.00 0.00 H new ATOM 0 HG SER A 82 19.090 25.348 18.791 1.00 0.00 H new ATOM 1301 N SER A 83 15.976 24.574 17.168 1.00 0.00 N ATOM 1302 CA SER A 83 15.136 23.398 17.532 1.00 0.00 C ATOM 1303 C SER A 83 14.430 22.869 16.287 1.00 0.00 C ATOM 1304 O SER A 83 14.064 21.713 16.212 1.00 0.00 O ATOM 1305 CB SER A 83 14.097 23.819 18.571 1.00 0.00 C ATOM 1306 OG SER A 83 13.015 22.897 18.558 1.00 0.00 O ATOM 0 H SER A 83 15.827 25.406 17.739 1.00 0.00 H new ATOM 0 HA SER A 83 15.768 22.614 17.948 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.550 23.851 19.562 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.735 24.824 18.353 1.00 0.00 H new ATOM 0 HG SER A 83 12.349 23.165 19.225 1.00 0.00 H new ATOM 1312 N ASP A 84 14.240 23.703 15.310 1.00 12.98 N ATOM 1313 CA ASP A 84 13.566 23.247 14.065 1.00 14.53 C ATOM 1314 C ASP A 84 14.538 22.396 13.244 1.00 11.28 C ATOM 1315 O ASP A 84 14.206 21.325 12.778 1.00 12.09 O ATOM 1316 CB ASP A 84 13.131 24.464 13.248 1.00 17.72 C ATOM 1317 CG ASP A 84 12.452 25.483 14.167 1.00 19.35 C ATOM 1318 OD1 ASP A 84 13.051 25.840 15.168 1.00 27.06 O ATOM 1319 OD2 ASP A 84 11.346 25.890 13.853 1.00 21.94 O ATOM 0 H ASP A 84 14.522 24.683 15.318 1.00 12.98 H new ATOM 0 HA ASP A 84 12.690 22.651 14.320 1.00 14.53 H new ATOM 0 HB2 ASP A 84 13.996 24.917 12.762 1.00 17.72 H new ATOM 0 HB3 ASP A 84 12.445 24.158 12.458 1.00 17.72 H new ATOM 1324 N LEU A 85 15.737 22.875 13.061 1.00 11.34 N ATOM 1325 CA LEU A 85 16.747 22.114 12.266 1.00 11.04 C ATOM 1326 C LEU A 85 16.925 20.704 12.834 1.00 12.09 C ATOM 1327 O LEU A 85 16.751 19.717 12.148 1.00 11.43 O ATOM 1328 CB LEU A 85 18.092 22.845 12.330 1.00 9.45 C ATOM 1329 CG LEU A 85 19.029 22.309 11.237 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.266 23.210 11.131 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.465 20.874 11.574 1.00 15.31 C ATOM 0 H LEU A 85 16.065 23.768 13.430 1.00 11.34 H new ATOM 0 HA LEU A 85 16.400 22.043 11.235 1.00 11.04 H new ATOM 0 HB2 LEU A 85 17.940 23.916 12.198 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.546 22.705 13.311 1.00 9.45 H new ATOM 0 HG LEU A 85 18.498 22.306 10.285 1.00 11.01 H new ATOM 0 HD11 LEU A 85 20.929 22.828 10.355 1.00 12.34 H new ATOM 0 HD12 LEU A 85 19.957 24.224 10.877 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.792 23.219 12.086 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.129 20.503 10.793 1.00 15.31 H new ATOM 0 HD22 LEU A 85 19.989 20.868 12.530 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.586 20.232 11.638 1.00 15.31 H new ATOM 1343 N VAL A 86 17.306 20.609 14.076 1.00 0.00 N ATOM 1344 CA VAL A 86 17.543 19.269 14.690 1.00 0.00 C ATOM 1345 C VAL A 86 16.365 18.332 14.413 1.00 0.00 C ATOM 1346 O VAL A 86 16.555 17.205 14.007 1.00 0.00 O ATOM 1347 CB VAL A 86 17.742 19.419 16.207 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.236 19.354 16.541 1.00 0.00 C ATOM 1349 CG2 VAL A 86 17.186 20.765 16.676 1.00 0.00 C ATOM 0 H VAL A 86 17.465 21.403 14.696 1.00 0.00 H new ATOM 0 HA VAL A 86 18.441 18.839 14.247 1.00 0.00 H new ATOM 0 HB VAL A 86 17.215 18.610 16.713 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.373 19.461 17.617 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.640 18.395 16.217 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.759 20.160 16.027 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.331 20.864 17.752 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.709 21.573 16.164 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.122 20.819 16.447 1.00 0.00 H new ATOM 1359 N SER A 87 15.158 18.770 14.624 1.00 14.12 N ATOM 1360 CA SER A 87 14.001 17.865 14.362 1.00 14.37 C ATOM 1361 C SER A 87 14.151 17.247 12.967 1.00 13.29 C ATOM 1362 O SER A 87 13.915 16.073 12.764 1.00 11.18 O ATOM 1363 CB SER A 87 12.696 18.670 14.430 1.00 13.30 C ATOM 1364 OG SER A 87 11.719 17.927 15.149 1.00 21.79 O ATOM 0 H SER A 87 14.921 19.703 14.962 1.00 14.12 H new ATOM 0 HA SER A 87 13.976 17.074 15.112 1.00 14.37 H new ATOM 0 HB2 SER A 87 12.872 19.628 14.919 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.336 18.886 13.424 1.00 13.30 H new ATOM 0 HG SER A 87 10.886 18.441 15.195 1.00 21.79 H new ATOM 1370 N LEU A 88 14.527 18.043 12.005 1.00 0.00 N ATOM 1371 CA LEU A 88 14.680 17.535 10.610 1.00 0.00 C ATOM 1372 C LEU A 88 15.925 16.649 10.454 1.00 0.00 C ATOM 1373 O LEU A 88 15.898 15.653 9.760 1.00 0.00 O ATOM 1374 CB LEU A 88 14.800 18.726 9.661 1.00 0.00 C ATOM 1375 CG LEU A 88 13.611 19.671 9.857 1.00 0.00 C ATOM 1376 CD1 LEU A 88 13.852 20.960 9.070 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.327 19.000 9.358 1.00 0.00 C ATOM 0 H LEU A 88 14.737 19.034 12.126 1.00 0.00 H new ATOM 0 HA LEU A 88 13.804 16.930 10.374 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.733 19.258 9.847 1.00 0.00 H new ATOM 0 HB3 LEU A 88 14.832 18.378 8.629 1.00 0.00 H new ATOM 0 HG LEU A 88 13.506 19.903 10.917 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.007 21.634 9.208 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.762 21.441 9.429 1.00 0.00 H new ATOM 0 HD13 LEU A 88 13.959 20.725 8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.484 19.677 9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.428 18.763 8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.154 18.082 9.920 1.00 0.00 H new ATOM 1389 N GLN A 89 17.025 17.018 11.053 1.00 0.00 N ATOM 1390 CA GLN A 89 18.270 16.207 10.884 1.00 0.00 C ATOM 1391 C GLN A 89 18.050 14.773 11.374 1.00 0.00 C ATOM 1392 O GLN A 89 18.245 13.824 10.641 1.00 0.00 O ATOM 1393 CB GLN A 89 19.410 16.849 11.684 1.00 0.00 C ATOM 1394 CG GLN A 89 20.767 16.410 11.112 1.00 0.00 C ATOM 1395 CD GLN A 89 20.740 14.919 10.764 1.00 0.00 C ATOM 1396 OE1 GLN A 89 20.822 14.078 11.636 1.00 0.00 O ATOM 1397 NE2 GLN A 89 20.623 14.556 9.515 1.00 0.00 N ATOM 0 H GLN A 89 17.118 17.841 11.649 1.00 0.00 H new ATOM 0 HA GLN A 89 18.528 16.180 9.825 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.325 17.935 11.647 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.337 16.560 12.732 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.000 16.994 10.222 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.556 16.607 11.838 1.00 0.00 H new ATOM 0 HE21 GLN A 89 20.554 15.263 8.783 1.00 0.00 H new ATOM 0 HE22 GLN A 89 20.600 13.566 9.272 1.00 0.00 H new ATOM 1406 N GLN A 90 17.664 14.603 12.604 1.00 0.00 N ATOM 1407 CA GLN A 90 17.455 13.223 13.126 1.00 0.00 C ATOM 1408 C GLN A 90 16.349 12.543 12.326 1.00 0.00 C ATOM 1409 O GLN A 90 16.291 11.334 12.224 1.00 0.00 O ATOM 1410 CB GLN A 90 17.081 13.263 14.619 1.00 0.00 C ATOM 1411 CG GLN A 90 16.819 14.704 15.061 1.00 0.00 C ATOM 1412 CD GLN A 90 16.496 14.730 16.554 1.00 0.00 C ATOM 1413 OE1 GLN A 90 15.660 13.983 17.022 1.00 0.00 O ATOM 1414 NE2 GLN A 90 17.131 15.567 17.329 1.00 0.00 N ATOM 0 H GLN A 90 17.484 15.354 13.270 1.00 0.00 H new ATOM 0 HA GLN A 90 18.381 12.657 13.020 1.00 0.00 H new ATOM 0 HB2 GLN A 90 16.194 12.654 14.795 1.00 0.00 H new ATOM 0 HB3 GLN A 90 17.886 12.833 15.215 1.00 0.00 H new ATOM 0 HG2 GLN A 90 17.693 15.323 14.857 1.00 0.00 H new ATOM 0 HG3 GLN A 90 15.990 15.125 14.492 1.00 0.00 H new ATOM 0 HE21 GLN A 90 17.833 16.194 16.936 1.00 0.00 H new ATOM 0 HE22 GLN A 90 16.925 15.594 18.328 1.00 0.00 H new ATOM 1423 N SER A 91 15.472 13.314 11.757 1.00 0.00 N ATOM 1424 CA SER A 91 14.363 12.721 10.956 1.00 0.00 C ATOM 1425 C SER A 91 14.856 12.405 9.541 1.00 0.00 C ATOM 1426 O SER A 91 14.268 11.614 8.832 1.00 0.00 O ATOM 1427 CB SER A 91 13.206 13.712 10.880 1.00 0.00 C ATOM 1428 OG SER A 91 12.550 13.767 12.140 1.00 0.00 O ATOM 0 H SER A 91 15.472 14.333 11.810 1.00 0.00 H new ATOM 0 HA SER A 91 14.027 11.801 11.434 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.576 14.700 10.606 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.503 13.409 10.104 1.00 0.00 H new ATOM 0 HG SER A 91 12.861 14.553 12.636 1.00 0.00 H new ATOM 1434 N GLY A 92 15.936 13.009 9.129 1.00 19.34 N ATOM 1435 CA GLY A 92 16.473 12.735 7.764 1.00 19.37 C ATOM 1436 C GLY A 92 15.807 13.654 6.738 1.00 22.29 C ATOM 1437 O GLY A 92 16.237 13.747 5.605 1.00 25.64 O ATOM 0 H GLY A 92 16.471 13.681 9.678 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.552 12.888 7.753 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.296 11.693 7.498 1.00 19.37 H new ATOM 1441 N GLU A 93 14.765 14.335 7.121 1.00 22.54 N ATOM 1442 CA GLU A 93 14.082 15.245 6.162 1.00 24.53 C ATOM 1443 C GLU A 93 15.009 16.415 5.834 1.00 23.48 C ATOM 1444 O GLU A 93 14.910 17.034 4.793 1.00 22.85 O ATOM 1445 CB GLU A 93 12.795 15.776 6.797 1.00 27.50 C ATOM 1446 CG GLU A 93 12.122 16.755 5.836 1.00 36.43 C ATOM 1447 CD GLU A 93 10.668 16.977 6.258 1.00 44.30 C ATOM 1448 OE1 GLU A 93 9.857 16.100 6.006 1.00 42.86 O ATOM 1449 OE2 GLU A 93 10.388 18.021 6.824 1.00 50.26 O ATOM 0 H GLU A 93 14.357 14.301 8.055 1.00 22.54 H new ATOM 0 HA GLU A 93 13.839 14.703 5.248 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.121 14.950 7.024 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.020 16.272 7.741 1.00 27.50 H new ATOM 0 HG2 GLU A 93 12.659 17.704 5.834 1.00 36.43 H new ATOM 0 HG3 GLU A 93 12.160 16.365 4.819 1.00 36.43 H new ATOM 1456 N LEU A 94 15.907 16.726 6.722 1.00 24.17 N ATOM 1457 CA LEU A 94 16.848 17.855 6.478 1.00 22.19 C ATOM 1458 C LEU A 94 17.683 17.587 5.233 1.00 22.62 C ATOM 1459 O LEU A 94 17.625 18.309 4.259 1.00 21.76 O ATOM 1460 CB LEU A 94 17.788 17.991 7.669 1.00 23.15 C ATOM 1461 CG LEU A 94 18.669 19.234 7.497 1.00 23.80 C ATOM 1462 CD1 LEU A 94 17.835 20.507 7.684 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.798 19.200 8.531 1.00 21.18 C ATOM 0 H LEU A 94 16.032 16.245 7.613 1.00 24.17 H new ATOM 0 HA LEU A 94 16.270 18.769 6.339 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.212 18.067 8.591 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.412 17.101 7.755 1.00 23.15 H new ATOM 0 HG LEU A 94 19.090 19.237 6.492 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.473 21.382 7.559 1.00 18.74 H new ATOM 0 HD12 LEU A 94 17.037 20.531 6.942 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.401 20.514 8.684 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.427 20.082 8.412 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.372 19.190 9.534 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.400 18.303 8.384 1.00 21.18 H new ATOM 1475 N LEU A 95 18.483 16.561 5.277 1.00 0.00 N ATOM 1476 CA LEU A 95 19.358 16.249 4.117 1.00 0.00 C ATOM 1477 C LEU A 95 18.506 16.186 2.860 1.00 0.00 C ATOM 1478 O LEU A 95 18.965 16.446 1.765 1.00 0.00 O ATOM 1479 CB LEU A 95 20.063 14.906 4.371 1.00 0.00 C ATOM 1480 CG LEU A 95 19.240 13.724 3.828 1.00 0.00 C ATOM 1481 CD1 LEU A 95 19.661 13.413 2.386 1.00 0.00 C ATOM 1482 CD2 LEU A 95 19.487 12.489 4.702 1.00 0.00 C ATOM 0 H LEU A 95 18.569 15.924 6.069 1.00 0.00 H new ATOM 0 HA LEU A 95 20.116 17.022 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.045 14.914 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.226 14.776 5.441 1.00 0.00 H new ATOM 0 HG LEU A 95 18.182 13.986 3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.074 12.576 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 95 19.489 14.288 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 95 20.720 13.154 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 95 18.905 11.650 4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 95 20.547 12.235 4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.185 12.703 5.727 1.00 0.00 H new ATOM 1494 N THR A 96 17.263 15.856 3.012 1.00 15.75 N ATOM 1495 CA THR A 96 16.375 15.790 1.823 1.00 17.89 C ATOM 1496 C THR A 96 16.281 17.187 1.203 1.00 14.96 C ATOM 1497 O THR A 96 16.443 17.350 0.013 1.00 17.84 O ATOM 1498 CB THR A 96 14.984 15.280 2.231 1.00 19.42 C ATOM 1499 OG1 THR A 96 14.913 13.882 1.990 1.00 21.98 O ATOM 1500 CG2 THR A 96 13.893 15.989 1.418 1.00 28.03 C ATOM 0 H THR A 96 16.821 15.629 3.903 1.00 15.75 H new ATOM 0 HA THR A 96 16.785 15.096 1.089 1.00 17.89 H new ATOM 0 HB THR A 96 14.826 15.489 3.289 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.028 13.550 2.250 1.00 21.98 H new ATOM 0 HG21 THR A 96 12.914 15.616 1.720 1.00 28.03 H new ATOM 0 HG22 THR A 96 13.944 17.063 1.599 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.045 15.793 0.357 1.00 28.03 H new ATOM 1508 N ARG A 97 16.034 18.201 1.997 1.00 12.39 N ATOM 1509 CA ARG A 97 15.943 19.578 1.424 1.00 13.82 C ATOM 1510 C ARG A 97 17.277 19.920 0.770 1.00 14.98 C ATOM 1511 O ARG A 97 17.339 20.621 -0.216 1.00 16.48 O ATOM 1512 CB ARG A 97 15.653 20.593 2.534 1.00 18.70 C ATOM 1513 CG ARG A 97 14.433 20.151 3.347 1.00 27.27 C ATOM 1514 CD ARG A 97 13.159 20.314 2.512 1.00 36.05 C ATOM 1515 NE ARG A 97 13.147 21.655 1.860 1.00 38.76 N ATOM 1516 CZ ARG A 97 12.320 21.890 0.879 1.00 40.02 C ATOM 1517 NH1 ARG A 97 11.497 20.958 0.483 1.00 39.86 N ATOM 1518 NH2 ARG A 97 12.317 23.056 0.295 1.00 40.96 N ATOM 0 H ARG A 97 15.893 18.135 3.005 1.00 12.39 H new ATOM 0 HA ARG A 97 15.137 19.615 0.691 1.00 13.82 H new ATOM 0 HB2 ARG A 97 16.520 20.687 3.187 1.00 18.70 H new ATOM 0 HB3 ARG A 97 15.473 21.577 2.100 1.00 18.70 H new ATOM 0 HG2 ARG A 97 14.547 19.111 3.652 1.00 27.27 H new ATOM 0 HG3 ARG A 97 14.359 20.744 4.258 1.00 27.27 H new ATOM 0 HD2 ARG A 97 13.108 19.532 1.755 1.00 36.05 H new ATOM 0 HD3 ARG A 97 12.281 20.201 3.147 1.00 36.05 H new ATOM 0 HE ARG A 97 13.783 22.386 2.180 1.00 38.76 H new ATOM 0 HH11 ARG A 97 11.501 20.046 0.941 1.00 39.86 H new ATOM 0 HH12 ARG A 97 10.850 21.141 -0.284 1.00 39.86 H new ATOM 0 HH21 ARG A 97 12.961 23.783 0.605 1.00 40.96 H new ATOM 0 HH22 ARG A 97 11.671 23.240 -0.472 1.00 40.96 H new ATOM 1532 N LEU A 98 18.346 19.421 1.314 1.00 12.44 N ATOM 1533 CA LEU A 98 19.682 19.693 0.732 1.00 12.45 C ATOM 1534 C LEU A 98 19.829 18.915 -0.582 1.00 14.25 C ATOM 1535 O LEU A 98 20.403 19.390 -1.542 1.00 12.19 O ATOM 1536 CB LEU A 98 20.749 19.221 1.722 1.00 13.23 C ATOM 1537 CG LEU A 98 20.976 20.277 2.807 1.00 11.83 C ATOM 1538 CD1 LEU A 98 19.803 20.274 3.788 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.260 19.945 3.567 1.00 15.05 C ATOM 0 H LEU A 98 18.350 18.830 2.146 1.00 12.44 H new ATOM 0 HA LEU A 98 19.797 20.759 0.537 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.439 18.281 2.179 1.00 13.23 H new ATOM 0 HB3 LEU A 98 21.683 19.026 1.194 1.00 13.23 H new ATOM 0 HG LEU A 98 21.057 21.260 2.342 1.00 11.83 H new ATOM 0 HD11 LEU A 98 19.970 21.027 4.558 1.00 8.88 H new ATOM 0 HD12 LEU A 98 18.881 20.500 3.253 1.00 8.88 H new ATOM 0 HD13 LEU A 98 19.721 19.292 4.254 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.428 20.693 4.342 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.167 18.961 4.027 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.102 19.944 2.875 1.00 15.05 H new ATOM 1551 N LYS A 99 19.335 17.706 -0.608 1.00 0.00 N ATOM 1552 CA LYS A 99 19.457 16.853 -1.829 1.00 0.00 C ATOM 1553 C LYS A 99 18.663 17.428 -3.010 1.00 0.00 C ATOM 1554 O LYS A 99 19.184 17.570 -4.098 1.00 0.00 O ATOM 1555 CB LYS A 99 18.938 15.449 -1.509 1.00 0.00 C ATOM 1556 CG LYS A 99 19.344 14.485 -2.629 1.00 0.00 C ATOM 1557 CD LYS A 99 18.615 13.146 -2.453 1.00 0.00 C ATOM 1558 CE LYS A 99 19.335 12.295 -1.402 1.00 0.00 C ATOM 1559 NZ LYS A 99 18.712 10.941 -1.347 1.00 0.00 N ATOM 0 H LYS A 99 18.847 17.267 0.173 1.00 0.00 H new ATOM 0 HA LYS A 99 20.508 16.821 -2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 99 19.344 15.108 -0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.853 15.466 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.100 14.917 -3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.422 14.327 -2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.583 13.321 -2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.580 12.613 -3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.393 12.210 -1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.274 12.775 -0.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.200 10.363 -0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.708 11.031 -1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.793 10.484 -2.278 1.00 0.00 H new ATOM 1573 N GLN A 100 17.404 17.729 -2.828 1.00 18.17 N ATOM 1574 CA GLN A 100 16.600 18.252 -3.972 1.00 18.02 C ATOM 1575 C GLN A 100 17.361 19.370 -4.693 1.00 18.05 C ATOM 1576 O GLN A 100 17.268 19.505 -5.897 1.00 19.19 O ATOM 1577 CB GLN A 100 15.244 18.774 -3.473 1.00 20.45 C ATOM 1578 CG GLN A 100 15.370 19.252 -2.027 1.00 29.25 C ATOM 1579 CD GLN A 100 14.305 20.309 -1.738 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.527 21.487 -1.940 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.148 19.932 -1.269 1.00 38.64 N ATOM 0 H GLN A 100 16.901 17.637 -1.945 1.00 18.17 H new ATOM 0 HA GLN A 100 16.427 17.437 -4.675 1.00 18.02 H new ATOM 0 HB2 GLN A 100 14.904 19.593 -4.107 1.00 20.45 H new ATOM 0 HB3 GLN A 100 14.494 17.986 -3.540 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.255 18.410 -1.344 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.363 19.667 -1.856 1.00 29.25 H new ATOM 0 HE21 GLN A 100 12.964 18.943 -1.100 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.427 20.626 -1.071 1.00 38.64 H new ATOM 1590 N ILE A 101 18.121 20.165 -3.986 1.00 0.00 N ATOM 1591 CA ILE A 101 18.884 21.255 -4.665 1.00 0.00 C ATOM 1592 C ILE A 101 20.346 20.830 -4.815 1.00 0.00 C ATOM 1593 O ILE A 101 21.114 21.448 -5.525 1.00 0.00 O ATOM 1594 CB ILE A 101 18.804 22.542 -3.844 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.151 22.245 -2.385 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.387 23.116 -3.925 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.181 23.551 -1.584 1.00 0.00 C ATOM 0 H ILE A 101 18.246 20.108 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 101 18.452 21.437 -5.649 1.00 0.00 H new ATOM 0 HB ILE A 101 19.513 23.267 -4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 101 18.416 21.562 -1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.120 21.748 -2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.332 24.033 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.142 23.334 -4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.677 22.390 -3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.429 23.335 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 101 19.933 24.219 -2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.203 24.030 -1.632 1.00 0.00 H new ATOM 1609 N GLY A 102 20.732 19.767 -4.162 1.00 11.15 N ATOM 1610 CA GLY A 102 22.139 19.285 -4.277 1.00 12.21 C ATOM 1611 C GLY A 102 23.069 20.144 -3.420 1.00 14.73 C ATOM 1612 O GLY A 102 24.146 20.518 -3.840 1.00 18.54 O ATOM 0 H GLY A 102 20.133 19.210 -3.553 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.200 18.244 -3.960 1.00 12.21 H new ATOM 0 HA3 GLY A 102 22.458 19.320 -5.319 1.00 12.21 H new ATOM 1616 N ALA A 103 22.668 20.457 -2.224 1.00 10.84 N ATOM 1617 CA ALA A 103 23.540 21.286 -1.345 1.00 9.88 C ATOM 1618 C ALA A 103 24.514 20.383 -0.587 1.00 9.21 C ATOM 1619 O ALA A 103 25.512 20.834 -0.061 1.00 7.47 O ATOM 1620 CB ALA A 103 22.678 22.051 -0.343 1.00 4.30 C ATOM 0 H ALA A 103 21.777 20.177 -1.815 1.00 10.84 H new ATOM 0 HA ALA A 103 24.100 21.992 -1.959 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.317 22.657 0.299 1.00 4.30 H new ATOM 0 HB2 ALA A 103 21.985 22.699 -0.879 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.116 21.344 0.268 1.00 4.30 H new ATOM 1626 N LEU A 104 24.234 19.109 -0.532 1.00 0.00 N ATOM 1627 CA LEU A 104 25.144 18.169 0.188 1.00 0.00 C ATOM 1628 C LEU A 104 26.076 17.492 -0.817 1.00 0.00 C ATOM 1629 O LEU A 104 26.045 17.778 -1.997 1.00 0.00 O ATOM 1630 CB LEU A 104 24.319 17.104 0.926 1.00 0.00 C ATOM 1631 CG LEU A 104 23.377 16.380 -0.055 1.00 0.00 C ATOM 1632 CD1 LEU A 104 24.072 15.156 -0.669 1.00 0.00 C ATOM 1633 CD2 LEU A 104 22.116 15.922 0.691 1.00 0.00 C ATOM 0 H LEU A 104 23.413 18.677 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 104 25.735 18.727 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 104 24.985 16.383 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 104 23.738 17.571 1.721 1.00 0.00 H new ATOM 0 HG LEU A 104 23.109 17.071 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.390 14.658 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 104 24.964 15.476 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 104 24.356 14.463 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 104 21.449 15.410 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 104 22.396 15.241 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 104 21.606 16.789 1.111 1.00 0.00 H new ATOM 1645 N GLN A 105 26.907 16.597 -0.358 1.00 0.00 N ATOM 1646 CA GLN A 105 27.844 15.900 -1.285 1.00 0.00 C ATOM 1647 C GLN A 105 27.102 14.783 -2.022 1.00 0.00 C ATOM 1648 O GLN A 105 26.627 13.876 -1.358 1.00 0.00 O ATOM 1649 CB GLN A 105 29.000 15.296 -0.484 1.00 0.00 C ATOM 1650 CG GLN A 105 29.940 16.407 -0.009 1.00 0.00 C ATOM 1651 CD GLN A 105 31.287 15.801 0.393 1.00 0.00 C ATOM 1652 OE1 GLN A 105 31.482 15.424 1.531 1.00 0.00 O ATOM 1653 NE2 GLN A 105 32.231 15.690 -0.501 1.00 0.00 N ATOM 1654 OXT GLN A 105 27.022 14.853 -3.237 1.00 0.00 O ATOM 0 H GLN A 105 26.978 16.318 0.620 1.00 0.00 H new ATOM 0 HA GLN A 105 28.234 16.616 -2.008 1.00 0.00 H new ATOM 0 HB2 GLN A 105 28.612 14.745 0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 105 29.548 14.583 -1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.082 17.141 -0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 105 29.499 16.933 0.838 1.00 0.00 H new ATOM 0 HE21 GLN A 105 32.068 16.006 -1.457 1.00 0.00 H new ATOM 0 HE22 GLN A 105 33.132 15.287 -0.244 1.00 0.00 H new TER 1663 GLN A 105 HETATM 1664 N1 GSH A 106 15.025 27.566 19.822 1.00 0.00 N HETATM 1665 CA1 GSH A 106 14.645 28.802 19.085 1.00 0.00 C HETATM 1666 C1 GSH A 106 14.162 28.438 17.677 1.00 0.00 C HETATM 1667 O11 GSH A 106 14.602 27.423 17.163 1.00 0.00 O HETATM 1668 O12 GSH A 106 13.360 29.184 17.138 1.00 0.00 O HETATM 1669 CB1 GSH A 106 15.867 29.719 18.989 1.00 0.00 C HETATM 1670 CG1 GSH A 106 16.256 30.214 20.390 1.00 0.00 C HETATM 1671 CD1 GSH A 106 16.523 31.723 20.368 1.00 0.00 C HETATM 1672 OE1 GSH A 106 17.080 32.255 19.430 1.00 0.00 O HETATM 1673 N2 GSH A 106 16.170 32.409 21.421 1.00 0.00 N HETATM 1674 CA2 GSH A 106 16.503 33.860 21.520 1.00 0.00 C HETATM 1675 C2 GSH A 106 15.788 34.644 20.415 1.00 0.00 C HETATM 1676 O2 GSH A 106 16.094 34.498 19.249 1.00 0.00 O HETATM 1677 CB2 GSH A 106 18.019 34.040 21.380 1.00 0.00 C HETATM 1678 SG2 GSH A 106 18.850 32.499 21.847 1.00 0.00 S HETATM 1679 N3 GSH A 106 15.061 35.661 20.791 1.00 0.00 N HETATM 1680 CA3 GSH A 106 14.537 36.623 19.779 1.00 0.00 C HETATM 1681 C3 GSH A 106 13.975 37.854 20.491 1.00 0.00 C HETATM 1682 O31 GSH A 106 12.796 38.122 20.326 1.00 0.00 O HETATM 1683 O32 GSH A 106 14.702 38.442 21.274 1.00 0.00 O HETATM 0 HN12 GSH A 106 15.370 27.629 20.780 1.00 0.00 H new HETATM 0 HN11 GSH A 106 14.940 26.656 19.369 1.00 0.00 H new HETATM 0 HG13 GSH A 106 15.457 29.990 21.097 1.00 0.00 H new HETATM 0 HG12 GSH A 106 17.145 29.686 20.736 1.00 0.00 H new HETATM 0 HB23 GSH A 106 18.272 34.307 20.354 1.00 0.00 H new HETATM 0 HB22 GSH A 106 18.360 34.858 22.015 1.00 0.00 H new HETATM 0 HB13 GSH A 106 16.702 29.182 18.538 1.00 0.00 H new HETATM 0 HB12 GSH A 106 15.647 30.568 18.341 1.00 0.00 H new HETATM 0 HA32 GSH A 106 15.333 36.917 19.094 1.00 0.00 H new HETATM 0 HA31 GSH A 106 13.759 36.150 19.179 1.00 0.00 H new HETATM 0 HN3 GSH A 106 14.851 35.798 21.780 1.00 0.00 H new HETATM 0 HN2 GSH A 106 15.664 31.951 22.179 1.00 0.00 H new HETATM 0 HA2 GSH A 106 16.174 34.238 22.488 1.00 0.00 H new HETATM 0 HA1 GSH A 106 13.841 29.313 19.615 1.00 0.00 H new