USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 GLN :FLIP amide:sc= -2.94! C(o=-35!,f=-35!) USER MOD Set 1.2: A 21 ASN : amide:sc= -14.7! C(o=-35!,f=-35!) USER MOD Set 1.3: B 20 GLN :FLIP amide:sc= -5.41! C(o=-36!,f=-35!) USER MOD Set 1.4: B 21 ASN : amide:sc= -11.7! C(o=-35!,f=-36!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00537 USER MOD Single : A 6 SER OG : rot -89:sc= -0.197! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 96:sc= 0.465 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.17 F(o=-0.9,f=-0.17) USER MOD Single : A 26 ASN : amide:sc= -0.7 X(o=-0.7,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0.39 USER MOD Single : B 6 SER OG : rot 180:sc=-0.00875 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 SER OG : rot 75:sc= 1.14 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 HIS : no HD1:sc= -0.646 X(o=-0.65,f=-0.29) USER MOD Single : B 26 ASN : amide:sc= -0.835 X(o=-0.84,f=-0.97) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= -5.37! (180deg=-5.37!) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.003 -21.781 -5.749 1.00 0.00 N ATOM 2 CA GLY A 1 -0.107 -20.848 -5.838 1.00 0.00 C ATOM 3 C GLY A 1 0.358 -19.415 -5.567 1.00 0.00 C ATOM 4 O GLY A 1 0.012 -18.830 -4.542 1.00 0.00 O ATOM 0 H1 GLY A 1 0.662 -22.745 -5.937 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.727 -21.527 -6.451 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.416 -21.739 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.558 -20.907 -6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.879 -21.126 -5.120 1.00 0.00 H new ATOM 8 N ALA A 2 1.134 -18.892 -6.504 1.00 0.00 N ATOM 9 CA ALA A 2 1.650 -17.539 -6.379 1.00 0.00 C ATOM 10 C ALA A 2 1.895 -16.960 -7.774 1.00 0.00 C ATOM 11 O ALA A 2 1.118 -16.136 -8.254 1.00 0.00 O ATOM 12 CB ALA A 2 2.918 -17.553 -5.523 1.00 0.00 C ATOM 0 H ALA A 2 1.418 -19.380 -7.353 1.00 0.00 H new ATOM 0 HA ALA A 2 0.925 -16.897 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.305 -16.538 -5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.684 -17.945 -4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.669 -18.186 -5.996 1.00 0.00 H new ATOM 18 N GLY A 3 2.978 -17.415 -8.386 1.00 0.00 N ATOM 19 CA GLY A 3 3.336 -16.953 -9.717 1.00 0.00 C ATOM 20 C GLY A 3 4.748 -17.407 -10.094 1.00 0.00 C ATOM 21 O GLY A 3 4.923 -18.199 -11.019 1.00 0.00 O ATOM 0 H GLY A 3 3.620 -18.099 -7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.620 -17.337 -10.444 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.277 -15.865 -9.756 1.00 0.00 H new ATOM 25 N SER A 4 5.719 -16.886 -9.359 1.00 0.00 N ATOM 26 CA SER A 4 7.110 -17.228 -9.604 1.00 0.00 C ATOM 27 C SER A 4 7.597 -16.548 -10.885 1.00 0.00 C ATOM 28 O SER A 4 7.645 -17.170 -11.945 1.00 0.00 O ATOM 29 CB SER A 4 7.294 -18.743 -9.707 1.00 0.00 C ATOM 30 OG SER A 4 8.084 -19.257 -8.637 1.00 0.00 O ATOM 0 H SER A 4 5.570 -16.229 -8.593 1.00 0.00 H new ATOM 0 HA SER A 4 7.703 -16.873 -8.762 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.318 -19.228 -9.703 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.768 -18.987 -10.658 1.00 0.00 H new ATOM 0 HG SER A 4 8.178 -20.227 -8.736 1.00 0.00 H new ATOM 36 N SER A 5 7.949 -15.278 -10.744 1.00 0.00 N ATOM 37 CA SER A 5 8.432 -14.506 -11.877 1.00 0.00 C ATOM 38 C SER A 5 7.264 -14.134 -12.793 1.00 0.00 C ATOM 39 O SER A 5 6.547 -15.009 -13.277 1.00 0.00 O ATOM 40 CB SER A 5 9.495 -15.280 -12.658 1.00 0.00 C ATOM 41 OG SER A 5 10.431 -15.919 -11.795 1.00 0.00 O ATOM 0 H SER A 5 7.909 -14.765 -9.863 1.00 0.00 H new ATOM 0 HA SER A 5 8.892 -13.594 -11.498 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.011 -16.028 -13.285 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.023 -14.598 -13.325 1.00 0.00 H new ATOM 0 HG SER A 5 11.092 -16.404 -12.331 1.00 0.00 H new ATOM 47 N SER A 6 7.109 -12.835 -13.005 1.00 0.00 N ATOM 48 CA SER A 6 6.041 -12.338 -13.855 1.00 0.00 C ATOM 49 C SER A 6 5.973 -10.812 -13.770 1.00 0.00 C ATOM 50 O SER A 6 5.590 -10.260 -12.740 1.00 0.00 O ATOM 51 CB SER A 6 4.694 -12.952 -13.464 1.00 0.00 C ATOM 52 OG SER A 6 4.786 -13.718 -12.266 1.00 0.00 O ATOM 0 H SER A 6 7.705 -12.112 -12.603 1.00 0.00 H new ATOM 0 HA SER A 6 6.258 -12.630 -14.883 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.958 -12.159 -13.332 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.336 -13.587 -14.274 1.00 0.00 H new ATOM 0 HG SER A 6 5.018 -14.644 -12.487 1.00 0.00 H new ATOM 58 N LEU A 7 6.349 -10.173 -14.869 1.00 0.00 N ATOM 59 CA LEU A 7 6.335 -8.722 -14.932 1.00 0.00 C ATOM 60 C LEU A 7 4.886 -8.230 -14.958 1.00 0.00 C ATOM 61 O LEU A 7 4.593 -7.128 -14.497 1.00 0.00 O ATOM 62 CB LEU A 7 7.172 -8.229 -16.114 1.00 0.00 C ATOM 63 CG LEU A 7 8.337 -7.299 -15.769 1.00 0.00 C ATOM 64 CD1 LEU A 7 7.886 -6.181 -14.826 1.00 0.00 C ATOM 65 CD2 LEU A 7 9.518 -8.087 -15.199 1.00 0.00 C ATOM 0 H LEU A 7 6.665 -10.634 -15.722 1.00 0.00 H new ATOM 0 HA LEU A 7 6.800 -8.298 -14.042 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.570 -9.097 -16.639 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.512 -7.710 -16.809 1.00 0.00 H new ATOM 0 HG LEU A 7 8.680 -6.826 -16.689 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.733 -5.535 -14.597 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.102 -5.595 -15.305 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.502 -6.616 -13.903 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.332 -7.402 -14.962 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.206 -8.606 -14.293 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.859 -8.815 -15.935 1.00 0.00 H new ATOM 77 N GLU A 8 4.019 -9.072 -15.500 1.00 0.00 N ATOM 78 CA GLU A 8 2.608 -8.737 -15.591 1.00 0.00 C ATOM 79 C GLU A 8 1.956 -8.802 -14.210 1.00 0.00 C ATOM 80 O GLU A 8 1.243 -7.882 -13.811 1.00 0.00 O ATOM 81 CB GLU A 8 1.889 -9.657 -16.581 1.00 0.00 C ATOM 82 CG GLU A 8 1.916 -11.108 -16.099 1.00 0.00 C ATOM 83 CD GLU A 8 1.546 -12.069 -17.230 1.00 0.00 C ATOM 84 OE1 GLU A 8 0.404 -12.049 -17.713 1.00 0.00 O ATOM 85 OE2 GLU A 8 2.494 -12.858 -17.609 1.00 0.00 O ATOM 0 H GLU A 8 4.266 -9.985 -15.881 1.00 0.00 H new ATOM 0 HA GLU A 8 2.521 -7.717 -15.964 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.856 -9.330 -16.703 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.364 -9.586 -17.560 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.909 -11.351 -15.721 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.220 -11.232 -15.269 1.00 0.00 H new ATOM 93 N ALA A 9 2.224 -9.898 -13.514 1.00 0.00 N ATOM 94 CA ALA A 9 1.672 -10.095 -12.185 1.00 0.00 C ATOM 95 C ALA A 9 2.279 -9.067 -11.228 1.00 0.00 C ATOM 96 O ALA A 9 1.562 -8.440 -10.450 1.00 0.00 O ATOM 97 CB ALA A 9 1.929 -11.535 -11.733 1.00 0.00 C ATOM 0 H ALA A 9 2.817 -10.659 -13.846 1.00 0.00 H new ATOM 0 HA ALA A 9 0.593 -9.943 -12.192 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.515 -11.683 -10.736 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.453 -12.225 -12.429 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.002 -11.724 -11.712 1.00 0.00 H new ATOM 103 N VAL A 10 3.593 -8.926 -11.318 1.00 0.00 N ATOM 104 CA VAL A 10 4.304 -7.984 -10.470 1.00 0.00 C ATOM 105 C VAL A 10 3.871 -6.560 -10.823 1.00 0.00 C ATOM 106 O VAL A 10 3.702 -5.722 -9.939 1.00 0.00 O ATOM 107 CB VAL A 10 5.814 -8.201 -10.599 1.00 0.00 C ATOM 108 CG1 VAL A 10 6.404 -7.310 -11.694 1.00 0.00 C ATOM 109 CG2 VAL A 10 6.517 -7.964 -9.261 1.00 0.00 C ATOM 0 H VAL A 10 4.184 -9.448 -11.965 1.00 0.00 H new ATOM 0 HA VAL A 10 4.054 -8.148 -9.422 1.00 0.00 H new ATOM 0 HB VAL A 10 5.981 -9.239 -10.886 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.478 -7.484 -11.765 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.934 -7.547 -12.649 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.221 -6.264 -11.450 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.589 -8.125 -9.380 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.338 -6.940 -8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.126 -8.658 -8.517 1.00 0.00 H new ATOM 119 N ARG A 11 3.706 -6.330 -12.117 1.00 0.00 N ATOM 120 CA ARG A 11 3.297 -5.021 -12.598 1.00 0.00 C ATOM 121 C ARG A 11 1.906 -4.671 -12.066 1.00 0.00 C ATOM 122 O ARG A 11 1.633 -3.517 -11.741 1.00 0.00 O ATOM 123 CB ARG A 11 3.277 -4.977 -14.127 1.00 0.00 C ATOM 124 CG ARG A 11 2.525 -3.744 -14.631 1.00 0.00 C ATOM 125 CD ARG A 11 3.220 -3.138 -15.852 1.00 0.00 C ATOM 126 NE ARG A 11 2.211 -2.684 -16.834 1.00 0.00 N ATOM 127 CZ ARG A 11 2.508 -2.251 -18.078 1.00 0.00 C ATOM 128 NH1 ARG A 11 3.789 -2.210 -18.502 1.00 0.00 N ATOM 129 NH2 ARG A 11 1.526 -1.869 -18.874 1.00 0.00 N ATOM 0 H ARG A 11 3.848 -7.028 -12.847 1.00 0.00 H new ATOM 0 HA ARG A 11 4.022 -4.293 -12.235 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.298 -4.965 -14.507 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.804 -5.879 -14.514 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.502 -4.018 -14.889 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.465 -3.000 -13.836 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.845 -2.299 -15.546 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.879 -3.876 -16.310 1.00 0.00 H new ATOM 0 HE ARG A 11 1.230 -2.699 -16.554 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.542 -2.508 -17.881 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.004 -1.882 -19.443 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.561 -1.904 -18.546 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.733 -1.539 -19.817 1.00 0.00 H new ATOM 142 N ARG A 12 1.061 -5.690 -11.995 1.00 0.00 N ATOM 143 CA ARG A 12 -0.296 -5.505 -11.510 1.00 0.00 C ATOM 144 C ARG A 12 -0.305 -5.419 -9.982 1.00 0.00 C ATOM 145 O ARG A 12 -1.208 -4.825 -9.396 1.00 0.00 O ATOM 146 CB ARG A 12 -1.202 -6.654 -11.955 1.00 0.00 C ATOM 147 CG ARG A 12 -2.642 -6.429 -11.489 1.00 0.00 C ATOM 148 CD ARG A 12 -3.062 -7.492 -10.473 1.00 0.00 C ATOM 149 NE ARG A 12 -4.483 -7.308 -10.106 1.00 0.00 N ATOM 150 CZ ARG A 12 -5.170 -8.140 -9.293 1.00 0.00 C ATOM 151 NH1 ARG A 12 -4.568 -9.222 -8.755 1.00 0.00 N ATOM 152 NH2 ARG A 12 -6.437 -7.879 -9.032 1.00 0.00 N ATOM 0 H ARG A 12 1.290 -6.646 -12.265 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.676 -4.575 -11.933 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.177 -6.742 -13.041 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.828 -7.594 -11.551 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.733 -5.439 -11.043 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.314 -6.455 -12.347 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.912 -8.487 -10.892 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.436 -7.424 -9.583 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.975 -6.502 -10.491 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.588 -9.416 -8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.093 -9.846 -8.142 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.884 -7.059 -9.442 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.970 -8.497 -8.420 1.00 0.00 H new ATOM 165 N LYS A 13 0.710 -6.023 -9.381 1.00 0.00 N ATOM 166 CA LYS A 13 0.830 -6.023 -7.933 1.00 0.00 C ATOM 167 C LYS A 13 1.398 -4.678 -7.473 1.00 0.00 C ATOM 168 O LYS A 13 0.993 -4.150 -6.438 1.00 0.00 O ATOM 169 CB LYS A 13 1.647 -7.229 -7.463 1.00 0.00 C ATOM 170 CG LYS A 13 0.852 -8.071 -6.462 1.00 0.00 C ATOM 171 CD LYS A 13 1.787 -8.915 -5.594 1.00 0.00 C ATOM 172 CE LYS A 13 1.024 -9.561 -4.436 1.00 0.00 C ATOM 173 NZ LYS A 13 1.928 -9.797 -3.288 1.00 0.00 N ATOM 0 H LYS A 13 1.457 -6.516 -9.871 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.150 -6.131 -7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.924 -7.842 -8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.574 -6.888 -7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.251 -7.419 -5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.160 -8.721 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.255 -9.689 -6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.589 -8.289 -5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.200 -8.916 -4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.587 -10.505 -4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.395 -10.236 -2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.700 -10.430 -3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.325 -8.891 -2.967 1.00 0.00 H new ATOM 186 N ILE A 14 2.328 -4.162 -8.264 1.00 0.00 N ATOM 187 CA ILE A 14 2.955 -2.890 -7.950 1.00 0.00 C ATOM 188 C ILE A 14 1.936 -1.764 -8.136 1.00 0.00 C ATOM 189 O ILE A 14 1.801 -0.896 -7.275 1.00 0.00 O ATOM 190 CB ILE A 14 4.231 -2.706 -8.774 1.00 0.00 C ATOM 191 CG1 ILE A 14 5.133 -1.635 -8.155 1.00 0.00 C ATOM 192 CG2 ILE A 14 3.902 -2.401 -10.236 1.00 0.00 C ATOM 193 CD1 ILE A 14 4.409 -0.290 -8.072 1.00 0.00 C ATOM 0 H ILE A 14 2.662 -4.602 -9.121 1.00 0.00 H new ATOM 0 HA ILE A 14 3.269 -2.867 -6.906 1.00 0.00 H new ATOM 0 HB ILE A 14 4.785 -3.644 -8.758 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.443 -1.947 -7.158 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.039 -1.528 -8.752 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.827 -2.275 -10.798 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.329 -3.226 -10.660 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.315 -1.484 -10.293 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.072 0.453 -7.629 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.122 0.031 -9.073 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.517 -0.395 -7.455 1.00 0.00 H new ATOM 205 N ARG A 15 1.244 -1.815 -9.264 1.00 0.00 N ATOM 206 CA ARG A 15 0.240 -0.811 -9.573 1.00 0.00 C ATOM 207 C ARG A 15 -0.909 -0.881 -8.565 1.00 0.00 C ATOM 208 O ARG A 15 -1.346 0.145 -8.046 1.00 0.00 O ATOM 209 CB ARG A 15 -0.316 -1.003 -10.985 1.00 0.00 C ATOM 210 CG ARG A 15 -1.264 0.137 -11.362 1.00 0.00 C ATOM 211 CD ARG A 15 -1.113 0.509 -12.838 1.00 0.00 C ATOM 212 NE ARG A 15 -2.293 0.043 -13.601 1.00 0.00 N ATOM 213 CZ ARG A 15 -3.428 0.758 -13.750 1.00 0.00 C ATOM 214 NH1 ARG A 15 -3.547 1.980 -13.190 1.00 0.00 N ATOM 215 NH2 ARG A 15 -4.421 0.243 -14.453 1.00 0.00 N ATOM 0 H ARG A 15 1.359 -2.536 -9.976 1.00 0.00 H new ATOM 0 HA ARG A 15 0.720 0.166 -9.514 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.506 -1.049 -11.700 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.844 -1.955 -11.045 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.293 -0.160 -11.161 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.057 1.008 -10.741 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.007 1.589 -12.940 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.207 0.060 -13.244 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.245 -0.876 -14.042 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.775 2.370 -12.649 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.408 2.513 -13.308 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.323 -0.681 -14.873 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.286 0.770 -14.576 1.00 0.00 H new ATOM 228 N SER A 16 -1.364 -2.100 -8.319 1.00 0.00 N ATOM 229 CA SER A 16 -2.454 -2.318 -7.384 1.00 0.00 C ATOM 230 C SER A 16 -2.055 -1.821 -5.993 1.00 0.00 C ATOM 231 O SER A 16 -2.804 -1.080 -5.357 1.00 0.00 O ATOM 232 CB SER A 16 -2.845 -3.795 -7.328 1.00 0.00 C ATOM 233 OG SER A 16 -3.718 -4.157 -8.395 1.00 0.00 O ATOM 0 H SER A 16 -0.997 -2.948 -8.751 1.00 0.00 H new ATOM 0 HA SER A 16 -3.320 -1.755 -7.730 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.946 -4.410 -7.371 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.330 -4.006 -6.375 1.00 0.00 H new ATOM 0 HG SER A 16 -3.194 -4.534 -9.133 1.00 0.00 H new ATOM 239 N LEU A 17 -0.878 -2.249 -5.561 1.00 0.00 N ATOM 240 CA LEU A 17 -0.372 -1.857 -4.257 1.00 0.00 C ATOM 241 C LEU A 17 -0.308 -0.330 -4.177 1.00 0.00 C ATOM 242 O LEU A 17 -0.614 0.254 -3.138 1.00 0.00 O ATOM 243 CB LEU A 17 0.966 -2.543 -3.974 1.00 0.00 C ATOM 244 CG LEU A 17 0.900 -4.041 -3.667 1.00 0.00 C ATOM 245 CD1 LEU A 17 2.288 -4.679 -3.751 1.00 0.00 C ATOM 246 CD2 LEU A 17 0.233 -4.294 -2.313 1.00 0.00 C ATOM 0 H LEU A 17 -0.260 -2.864 -6.091 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.049 -2.190 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.616 -2.397 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.438 -2.040 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 17 0.280 -4.519 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.213 -5.743 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.690 -4.545 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.951 -4.203 -3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.199 -5.366 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.806 -3.801 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.781 -3.895 -2.327 1.00 0.00 H new ATOM 258 N GLN A 18 0.090 0.273 -5.288 1.00 0.00 N ATOM 259 CA GLN A 18 0.196 1.720 -5.357 1.00 0.00 C ATOM 260 C GLN A 18 -1.145 2.369 -5.009 1.00 0.00 C ATOM 261 O GLN A 18 -1.238 3.140 -4.056 1.00 0.00 O ATOM 262 CB GLN A 18 0.682 2.170 -6.736 1.00 0.00 C ATOM 263 CG GLN A 18 1.513 3.450 -6.635 1.00 0.00 C ATOM 264 CD GLN A 18 1.270 4.360 -7.841 1.00 0.00 C ATOM 265 OE1 GLN A 18 0.739 5.453 -7.729 1.00 0.00 O ATOM 266 NE2 GLN A 18 1.686 3.849 -8.996 1.00 0.00 N ATOM 0 H GLN A 18 0.343 -0.215 -6.147 1.00 0.00 H new ATOM 0 HA GLN A 18 0.935 2.045 -4.624 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.279 1.380 -7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.174 2.339 -7.390 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.259 3.981 -5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.571 3.197 -6.574 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.123 2.927 -9.018 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.568 4.379 -9.860 1.00 0.00 H new ATOM 275 N GLU A 19 -2.152 2.032 -5.802 1.00 0.00 N ATOM 276 CA GLU A 19 -3.484 2.572 -5.591 1.00 0.00 C ATOM 277 C GLU A 19 -3.903 2.395 -4.130 1.00 0.00 C ATOM 278 O GLU A 19 -4.446 3.315 -3.521 1.00 0.00 O ATOM 279 CB GLU A 19 -4.496 1.919 -6.534 1.00 0.00 C ATOM 280 CG GLU A 19 -4.217 2.302 -7.989 1.00 0.00 C ATOM 281 CD GLU A 19 -5.360 1.854 -8.903 1.00 0.00 C ATOM 282 OE1 GLU A 19 -5.240 0.826 -9.586 1.00 0.00 O ATOM 283 OE2 GLU A 19 -6.400 2.616 -8.888 1.00 0.00 O ATOM 0 H GLU A 19 -2.072 1.392 -6.592 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.462 3.638 -5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.453 0.835 -6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.505 2.227 -6.260 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.087 3.381 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.284 1.844 -8.317 1.00 0.00 H new ATOM 291 N GLN A 20 -3.634 1.206 -3.611 1.00 0.00 N ATOM 292 CA GLN A 20 -3.976 0.896 -2.232 1.00 0.00 C ATOM 293 C GLN A 20 -3.224 1.826 -1.278 1.00 0.00 C ATOM 294 O GLN A 20 -3.814 2.377 -0.349 1.00 0.00 O ATOM 295 CB GLN A 20 -3.685 -0.570 -1.911 1.00 0.00 C ATOM 296 CG GLN A 20 -3.670 -0.809 -0.400 1.00 0.00 C ATOM 297 CD GLN A 20 -4.068 -2.248 -0.067 1.00 0.00 C ATOM 298 OE1 GLN A 20 -3.412 -2.766 0.968 1.00 0.00 O flip ATOM 299 NE2 GLN A 20 -4.915 -2.849 -0.709 1.00 0.00 N flip ATOM 0 H GLN A 20 -3.183 0.446 -4.120 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.046 1.057 -2.098 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.440 -1.204 -2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.723 -0.855 -2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.675 -0.603 -0.006 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.356 -0.116 0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.381 -2.392 -1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.157 -3.808 -0.462 1.00 0.00 H new ATOM 308 N ASN A 21 -1.933 1.972 -1.538 1.00 0.00 N ATOM 309 CA ASN A 21 -1.095 2.826 -0.713 1.00 0.00 C ATOM 310 C ASN A 21 -1.767 4.190 -0.552 1.00 0.00 C ATOM 311 O ASN A 21 -1.814 4.737 0.549 1.00 0.00 O ATOM 312 CB ASN A 21 0.273 3.045 -1.362 1.00 0.00 C ATOM 313 CG ASN A 21 1.312 2.075 -0.795 1.00 0.00 C ATOM 314 OD1 ASN A 21 2.491 2.372 -0.701 1.00 0.00 O ATOM 315 ND2 ASN A 21 0.807 0.901 -0.425 1.00 0.00 N ATOM 0 H ASN A 21 -1.447 1.513 -2.308 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.962 2.338 0.253 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.194 2.908 -2.440 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.599 4.071 -1.194 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.418 0.183 -0.035 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.191 0.719 -0.532 1.00 0.00 H new ATOM 322 N TYR A 22 -2.269 4.702 -1.666 1.00 0.00 N ATOM 323 CA TYR A 22 -2.937 5.994 -1.661 1.00 0.00 C ATOM 324 C TYR A 22 -4.352 5.877 -1.093 1.00 0.00 C ATOM 325 O TYR A 22 -4.918 6.862 -0.620 1.00 0.00 O ATOM 326 CB TYR A 22 -3.023 6.429 -3.126 1.00 0.00 C ATOM 327 CG TYR A 22 -2.015 7.512 -3.514 1.00 0.00 C ATOM 328 CD1 TYR A 22 -0.662 7.279 -3.369 1.00 0.00 C ATOM 329 CD2 TYR A 22 -2.457 8.722 -4.007 1.00 0.00 C ATOM 330 CE1 TYR A 22 0.288 8.298 -3.733 1.00 0.00 C ATOM 331 CE2 TYR A 22 -1.508 9.742 -4.371 1.00 0.00 C ATOM 332 CZ TYR A 22 -0.183 9.480 -4.216 1.00 0.00 C ATOM 333 OH TYR A 22 0.714 10.442 -4.561 1.00 0.00 O ATOM 0 H TYR A 22 -2.227 4.247 -2.578 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.390 6.707 -1.044 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.868 5.558 -3.763 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.030 6.795 -3.327 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.316 6.332 -2.982 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.515 8.905 -4.120 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.349 8.128 -3.625 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.841 10.693 -4.758 1.00 0.00 H new ATOM 0 HH TYR A 22 0.236 11.231 -4.891 1.00 0.00 H new ATOM 343 N HIS A 23 -4.883 4.665 -1.157 1.00 0.00 N ATOM 344 CA HIS A 23 -6.222 4.407 -0.654 1.00 0.00 C ATOM 345 C HIS A 23 -6.202 4.396 0.876 1.00 0.00 C ATOM 346 O HIS A 23 -7.062 5.000 1.516 1.00 0.00 O ATOM 347 CB HIS A 23 -6.787 3.116 -1.249 1.00 0.00 C ATOM 348 CG HIS A 23 -8.232 2.858 -0.895 1.00 0.00 C ATOM 349 ND1 HIS A 23 -8.875 2.894 0.307 1.00 0.00 N flip ATOM 350 CD2 HIS A 23 -9.186 2.515 -1.838 1.00 0.00 C flip ATOM 351 CE1 HIS A 23 -10.153 2.591 0.109 1.00 0.00 C flip ATOM 352 NE2 HIS A 23 -10.346 2.356 -1.220 1.00 0.00 N flip ATOM 0 H HIS A 23 -4.411 3.851 -1.549 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.893 5.207 -0.968 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.691 3.156 -2.334 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.184 2.275 -0.906 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.013 2.397 -2.898 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.913 2.539 0.874 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.230 2.102 -1.661 1.00 0.00 H new ATOM 360 N LEU A 24 -5.212 3.702 1.417 1.00 0.00 N ATOM 361 CA LEU A 24 -5.069 3.603 2.860 1.00 0.00 C ATOM 362 C LEU A 24 -4.411 4.879 3.391 1.00 0.00 C ATOM 363 O LEU A 24 -4.646 5.274 4.532 1.00 0.00 O ATOM 364 CB LEU A 24 -4.321 2.323 3.238 1.00 0.00 C ATOM 365 CG LEU A 24 -5.115 1.021 3.112 1.00 0.00 C ATOM 366 CD1 LEU A 24 -4.268 -0.078 2.468 1.00 0.00 C ATOM 367 CD2 LEU A 24 -5.679 0.589 4.468 1.00 0.00 C ATOM 0 H LEU A 24 -4.501 3.203 0.883 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.047 3.525 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.433 2.246 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.977 2.417 4.268 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.964 1.202 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.856 -0.992 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.957 0.239 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.387 -0.265 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.239 -0.339 4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.860 0.432 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.341 1.366 4.851 1.00 0.00 H new ATOM 379 N GLU A 25 -3.601 5.488 2.539 1.00 0.00 N ATOM 380 CA GLU A 25 -2.908 6.710 2.907 1.00 0.00 C ATOM 381 C GLU A 25 -3.904 7.863 3.048 1.00 0.00 C ATOM 382 O GLU A 25 -3.836 8.633 4.005 1.00 0.00 O ATOM 383 CB GLU A 25 -1.816 7.050 1.891 1.00 0.00 C ATOM 384 CG GLU A 25 -1.262 8.456 2.131 1.00 0.00 C ATOM 385 CD GLU A 25 -0.204 8.814 1.085 1.00 0.00 C ATOM 386 OE1 GLU A 25 0.420 7.916 0.500 1.00 0.00 O ATOM 387 OE2 GLU A 25 -0.041 10.078 0.886 1.00 0.00 O ATOM 0 H GLU A 25 -3.409 5.157 1.593 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.424 6.553 3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.009 6.321 1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.220 6.982 0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.074 9.182 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.827 8.514 3.129 1.00 0.00 H new ATOM 395 N ASN A 26 -4.805 7.946 2.081 1.00 0.00 N ATOM 396 CA ASN A 26 -5.813 8.991 2.085 1.00 0.00 C ATOM 397 C ASN A 26 -6.923 8.621 3.071 1.00 0.00 C ATOM 398 O ASN A 26 -7.538 9.496 3.677 1.00 0.00 O ATOM 399 CB ASN A 26 -6.446 9.153 0.701 1.00 0.00 C ATOM 400 CG ASN A 26 -5.460 9.786 -0.282 1.00 0.00 C ATOM 401 OD1 ASN A 26 -4.652 10.632 0.067 1.00 0.00 O ATOM 402 ND2 ASN A 26 -5.569 9.332 -1.527 1.00 0.00 N ATOM 0 H ASN A 26 -4.858 7.306 1.289 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.328 9.924 2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.764 8.180 0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.339 9.773 0.776 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.955 9.693 -2.257 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.267 8.623 -1.752 1.00 0.00 H new ATOM 409 N GLU A 27 -7.144 7.321 3.201 1.00 0.00 N ATOM 410 CA GLU A 27 -8.170 6.823 4.103 1.00 0.00 C ATOM 411 C GLU A 27 -7.758 7.064 5.558 1.00 0.00 C ATOM 412 O GLU A 27 -8.519 7.638 6.334 1.00 0.00 O ATOM 413 CB GLU A 27 -8.449 5.341 3.851 1.00 0.00 C ATOM 414 CG GLU A 27 -9.482 4.801 4.842 1.00 0.00 C ATOM 415 CD GLU A 27 -10.869 4.724 4.201 1.00 0.00 C ATOM 416 OE1 GLU A 27 -11.321 5.699 3.581 1.00 0.00 O ATOM 417 OE2 GLU A 27 -11.483 3.601 4.364 1.00 0.00 O ATOM 0 H GLU A 27 -6.631 6.598 2.697 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.093 7.370 3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.811 5.204 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.523 4.773 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.180 3.811 5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.519 5.444 5.721 1.00 0.00 H new ATOM 425 N VAL A 28 -6.556 6.612 5.882 1.00 0.00 N ATOM 426 CA VAL A 28 -6.034 6.770 7.229 1.00 0.00 C ATOM 427 C VAL A 28 -5.931 8.261 7.558 1.00 0.00 C ATOM 428 O VAL A 28 -6.417 8.706 8.597 1.00 0.00 O ATOM 429 CB VAL A 28 -4.700 6.033 7.364 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.536 6.920 6.914 1.00 0.00 C ATOM 431 CG2 VAL A 28 -4.491 5.538 8.795 1.00 0.00 C ATOM 0 H VAL A 28 -5.928 6.136 5.235 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.711 6.322 7.957 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.730 5.162 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.599 6.373 7.020 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.676 7.202 5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.503 7.818 7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.536 5.018 8.864 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.492 6.388 9.478 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.297 4.855 9.065 1.00 0.00 H new ATOM 441 N ALA A 29 -5.293 8.991 6.655 1.00 0.00 N ATOM 442 CA ALA A 29 -5.119 10.422 6.837 1.00 0.00 C ATOM 443 C ALA A 29 -6.465 11.053 7.197 1.00 0.00 C ATOM 444 O ALA A 29 -6.588 11.720 8.223 1.00 0.00 O ATOM 445 CB ALA A 29 -4.511 11.027 5.570 1.00 0.00 C ATOM 0 H ALA A 29 -4.890 8.618 5.795 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.431 10.624 7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.380 12.101 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.543 10.565 5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.176 10.847 4.725 1.00 0.00 H new ATOM 451 N ARG A 30 -7.442 10.820 6.332 1.00 0.00 N ATOM 452 CA ARG A 30 -8.775 11.358 6.546 1.00 0.00 C ATOM 453 C ARG A 30 -9.389 10.766 7.816 1.00 0.00 C ATOM 454 O ARG A 30 -10.250 11.383 8.440 1.00 0.00 O ATOM 455 CB ARG A 30 -9.689 11.055 5.357 1.00 0.00 C ATOM 456 CG ARG A 30 -10.622 12.233 5.068 1.00 0.00 C ATOM 457 CD ARG A 30 -11.135 12.186 3.627 1.00 0.00 C ATOM 458 NE ARG A 30 -11.940 13.393 3.336 1.00 0.00 N ATOM 459 CZ ARG A 30 -13.149 13.644 3.880 1.00 0.00 C ATOM 460 NH1 ARG A 30 -13.705 12.773 4.748 1.00 0.00 N ATOM 461 NH2 ARG A 30 -13.781 14.756 3.549 1.00 0.00 N ATOM 0 H ARG A 30 -7.337 10.266 5.482 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.683 12.439 6.653 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.085 10.840 4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.279 10.162 5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.465 12.212 5.759 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.093 13.171 5.239 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.295 12.124 2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.739 11.291 3.476 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.557 14.078 2.684 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.211 11.916 4.998 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.619 12.971 5.154 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.354 15.409 2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.696 14.962 3.951 1.00 0.00 H new ATOM 474 N LEU A 31 -8.921 9.575 8.161 1.00 0.00 N ATOM 475 CA LEU A 31 -9.414 8.892 9.345 1.00 0.00 C ATOM 476 C LEU A 31 -8.878 9.595 10.595 1.00 0.00 C ATOM 477 O LEU A 31 -9.551 9.639 11.623 1.00 0.00 O ATOM 478 CB LEU A 31 -9.073 7.401 9.285 1.00 0.00 C ATOM 479 CG LEU A 31 -9.854 6.496 10.239 1.00 0.00 C ATOM 480 CD1 LEU A 31 -11.235 7.080 10.543 1.00 0.00 C ATOM 481 CD2 LEU A 31 -9.943 5.070 9.691 1.00 0.00 C ATOM 0 H LEU A 31 -8.206 9.066 7.641 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.502 8.946 9.390 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.239 7.051 8.266 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.010 7.283 9.493 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.311 6.446 11.183 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.769 6.417 11.223 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.122 8.060 11.006 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.800 7.180 9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.503 4.447 10.388 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.450 5.082 8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.939 4.664 9.568 1.00 0.00 H new ATOM 493 N LYS A 32 -7.673 10.129 10.462 1.00 0.00 N ATOM 494 CA LYS A 32 -7.039 10.828 11.567 1.00 0.00 C ATOM 495 C LYS A 32 -7.688 12.204 11.734 1.00 0.00 C ATOM 496 O LYS A 32 -7.877 12.673 12.855 1.00 0.00 O ATOM 497 CB LYS A 32 -5.523 10.884 11.368 1.00 0.00 C ATOM 498 CG LYS A 32 -4.913 9.481 11.402 1.00 0.00 C ATOM 499 CD LYS A 32 -3.900 9.295 10.270 1.00 0.00 C ATOM 500 CE LYS A 32 -2.974 8.110 10.553 1.00 0.00 C ATOM 501 NZ LYS A 32 -1.822 8.538 11.377 1.00 0.00 N ATOM 0 H LYS A 32 -7.119 10.092 9.606 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.195 10.285 12.499 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.295 11.360 10.414 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.073 11.499 12.147 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.425 9.316 12.362 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.703 8.735 11.314 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.426 9.134 9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.309 10.203 10.153 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.526 7.325 11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.619 7.686 9.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.204 7.722 11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.286 9.272 10.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.165 8.922 12.281 1.00 0.00 H new ATOM 514 N LYS A 33 -8.012 12.811 10.602 1.00 0.00 N ATOM 515 CA LYS A 33 -8.636 14.123 10.609 1.00 0.00 C ATOM 516 C LYS A 33 -10.109 13.980 10.996 1.00 0.00 C ATOM 517 O LYS A 33 -10.678 14.870 11.627 1.00 0.00 O ATOM 518 CB LYS A 33 -8.417 14.827 9.268 1.00 0.00 C ATOM 519 CG LYS A 33 -8.911 16.274 9.322 1.00 0.00 C ATOM 520 CD LYS A 33 -10.280 16.411 8.652 1.00 0.00 C ATOM 521 CE LYS A 33 -10.134 16.845 7.191 1.00 0.00 C ATOM 522 NZ LYS A 33 -11.461 16.941 6.545 1.00 0.00 N ATOM 0 H LYS A 33 -7.854 12.419 9.674 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.170 14.763 11.358 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.357 14.810 9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.943 14.288 8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.975 16.602 10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.192 16.926 8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.810 15.460 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.883 17.140 9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.628 17.809 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.512 16.130 6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.344 17.236 5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.930 16.014 6.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.043 17.641 7.049 1.00 0.00 H new ATOM 535 N LEU A 34 -10.685 12.854 10.601 1.00 0.00 N ATOM 536 CA LEU A 34 -12.082 12.584 10.898 1.00 0.00 C ATOM 537 C LEU A 34 -12.222 12.217 12.377 1.00 0.00 C ATOM 538 O LEU A 34 -13.119 12.709 13.060 1.00 0.00 O ATOM 539 CB LEU A 34 -12.636 11.521 9.946 1.00 0.00 C ATOM 540 CG LEU A 34 -14.151 11.312 9.985 1.00 0.00 C ATOM 541 CD1 LEU A 34 -14.860 12.257 9.013 1.00 0.00 C ATOM 542 CD2 LEU A 34 -14.509 9.848 9.724 1.00 0.00 C ATOM 0 H LEU A 34 -10.210 12.118 10.078 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.687 13.475 10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.352 11.789 8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.152 10.571 10.172 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.504 11.556 10.987 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -15.936 12.088 9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -14.643 13.290 9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.507 12.068 7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.592 9.727 9.757 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -14.141 9.553 8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -14.050 9.220 10.487 1.00 0.00 H new ATOM 554 N VAL A 35 -11.321 11.357 12.829 1.00 0.00 N ATOM 555 CA VAL A 35 -11.334 10.919 14.214 1.00 0.00 C ATOM 556 C VAL A 35 -10.961 12.095 15.119 1.00 0.00 C ATOM 557 O VAL A 35 -11.676 12.399 16.074 1.00 0.00 O ATOM 558 CB VAL A 35 -10.409 9.712 14.390 1.00 0.00 C ATOM 559 CG1 VAL A 35 -10.868 8.538 13.524 1.00 0.00 C ATOM 560 CG2 VAL A 35 -8.957 10.086 14.082 1.00 0.00 C ATOM 0 H VAL A 35 -10.577 10.952 12.260 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.333 10.591 14.502 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.461 9.399 15.433 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.194 7.694 13.668 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.879 8.248 13.811 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.859 8.834 12.475 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.320 9.211 14.214 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.882 10.437 13.053 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.633 10.876 14.759 1.00 0.00 H new ATOM 570 N GLY A 36 -9.843 12.725 14.788 1.00 0.00 N ATOM 571 CA GLY A 36 -9.367 13.860 15.559 1.00 0.00 C ATOM 572 C GLY A 36 -9.621 13.653 17.053 1.00 0.00 C ATOM 573 O GLY A 36 -9.811 14.617 17.794 1.00 0.00 O ATOM 0 H GLY A 36 -9.253 12.470 13.996 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.300 14.001 15.384 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.868 14.768 15.224 1.00 0.00 H new ATOM 577 N GLU A 37 -9.614 12.390 17.452 1.00 0.00 N ATOM 578 CA GLU A 37 -9.841 12.044 18.845 1.00 0.00 C ATOM 579 C GLU A 37 -8.759 12.668 19.730 1.00 0.00 C ATOM 580 O GLU A 37 -7.931 13.441 19.252 1.00 0.00 O ATOM 581 CB GLU A 37 -9.894 10.526 19.032 1.00 0.00 C ATOM 582 CG GLU A 37 -8.584 9.873 18.587 1.00 0.00 C ATOM 583 CD GLU A 37 -7.448 10.208 19.556 1.00 0.00 C ATOM 584 OE1 GLU A 37 -7.530 9.875 20.747 1.00 0.00 O ATOM 585 OE2 GLU A 37 -6.451 10.838 19.030 1.00 0.00 O ATOM 0 H GLU A 37 -9.455 11.593 16.835 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.808 12.448 19.146 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.084 10.291 20.079 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.724 10.114 18.457 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.713 8.792 18.532 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.325 10.215 17.585 1.00 0.00 H new ATOM 593 N ARG A 38 -8.803 12.309 21.004 1.00 0.00 N ATOM 594 CA ARG A 38 -7.837 12.823 21.960 1.00 0.00 C ATOM 595 C ARG A 38 -8.046 12.174 23.329 1.00 0.00 C ATOM 596 O ARG A 38 -7.116 11.609 23.902 1.00 0.00 O ATOM 597 CB ARG A 38 -7.956 14.343 22.100 1.00 0.00 C ATOM 598 CG ARG A 38 -6.584 15.012 21.998 1.00 0.00 C ATOM 599 CD ARG A 38 -5.977 15.233 23.385 1.00 0.00 C ATOM 600 NE ARG A 38 -6.220 16.624 23.828 1.00 0.00 N ATOM 601 CZ ARG A 38 -5.654 17.181 24.920 1.00 0.00 C ATOM 602 NH1 ARG A 38 -4.804 16.468 25.690 1.00 0.00 N ATOM 603 NH2 ARG A 38 -5.944 18.432 25.223 1.00 0.00 N ATOM 0 H ARG A 38 -9.493 11.668 21.397 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.842 12.580 21.588 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.613 14.733 21.323 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.414 14.589 23.058 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.917 14.392 21.400 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.679 15.968 21.482 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.414 14.534 24.098 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.906 15.033 23.358 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.855 17.198 23.273 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.585 15.501 25.448 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.381 16.896 26.513 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.587 18.963 24.636 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.525 18.868 26.045 1.00 0.00 H new TER 616 ARG A 38 ATOM 617 N GLY B 1 21.443 -8.969 -14.446 1.00 0.00 N ATOM 618 CA GLY B 1 20.968 -9.389 -13.139 1.00 0.00 C ATOM 619 C GLY B 1 19.466 -9.679 -13.169 1.00 0.00 C ATOM 620 O GLY B 1 19.038 -10.790 -12.859 1.00 0.00 O ATOM 0 H1 GLY B 1 22.464 -8.778 -14.399 1.00 0.00 H new ATOM 0 H2 GLY B 1 21.263 -9.723 -15.140 1.00 0.00 H new ATOM 0 H3 GLY B 1 20.942 -8.105 -14.736 1.00 0.00 H new ATOM 0 HA2 GLY B 1 21.508 -10.281 -12.821 1.00 0.00 H new ATOM 0 HA3 GLY B 1 21.177 -8.611 -12.405 1.00 0.00 H new ATOM 624 N ALA B 2 18.706 -8.661 -13.545 1.00 0.00 N ATOM 625 CA ALA B 2 17.260 -8.792 -13.620 1.00 0.00 C ATOM 626 C ALA B 2 16.908 -10.118 -14.297 1.00 0.00 C ATOM 627 O ALA B 2 17.711 -10.667 -15.049 1.00 0.00 O ATOM 628 CB ALA B 2 16.676 -7.586 -14.357 1.00 0.00 C ATOM 0 H ALA B 2 19.064 -7.741 -13.801 1.00 0.00 H new ATOM 0 HA ALA B 2 16.822 -8.806 -12.622 1.00 0.00 H new ATOM 0 HB1 ALA B 2 15.592 -7.684 -14.413 1.00 0.00 H new ATOM 0 HB2 ALA B 2 16.930 -6.673 -13.819 1.00 0.00 H new ATOM 0 HB3 ALA B 2 17.089 -7.540 -15.365 1.00 0.00 H new ATOM 634 N GLY B 3 15.706 -10.593 -14.007 1.00 0.00 N ATOM 635 CA GLY B 3 15.237 -11.844 -14.579 1.00 0.00 C ATOM 636 C GLY B 3 14.430 -11.594 -15.854 1.00 0.00 C ATOM 637 O GLY B 3 14.182 -12.518 -16.627 1.00 0.00 O ATOM 0 H GLY B 3 15.042 -10.134 -13.383 1.00 0.00 H new ATOM 0 HA2 GLY B 3 16.088 -12.487 -14.803 1.00 0.00 H new ATOM 0 HA3 GLY B 3 14.621 -12.372 -13.852 1.00 0.00 H new ATOM 641 N SER B 4 14.042 -10.340 -16.036 1.00 0.00 N ATOM 642 CA SER B 4 13.269 -9.958 -17.205 1.00 0.00 C ATOM 643 C SER B 4 13.655 -8.546 -17.649 1.00 0.00 C ATOM 644 O SER B 4 14.337 -8.373 -18.658 1.00 0.00 O ATOM 645 CB SER B 4 11.767 -10.033 -16.920 1.00 0.00 C ATOM 646 OG SER B 4 10.990 -9.841 -18.100 1.00 0.00 O ATOM 0 H SER B 4 14.249 -9.576 -15.393 1.00 0.00 H new ATOM 0 HA SER B 4 13.495 -10.659 -18.009 1.00 0.00 H new ATOM 0 HB2 SER B 4 11.529 -11.003 -16.483 1.00 0.00 H new ATOM 0 HB3 SER B 4 11.500 -9.276 -16.182 1.00 0.00 H new ATOM 0 HG SER B 4 10.037 -9.898 -17.877 1.00 0.00 H new ATOM 652 N SER B 5 13.202 -7.571 -16.873 1.00 0.00 N ATOM 653 CA SER B 5 13.491 -6.179 -17.174 1.00 0.00 C ATOM 654 C SER B 5 13.721 -5.401 -15.877 1.00 0.00 C ATOM 655 O SER B 5 14.832 -5.378 -15.351 1.00 0.00 O ATOM 656 CB SER B 5 12.358 -5.543 -17.982 1.00 0.00 C ATOM 657 OG SER B 5 11.079 -5.827 -17.422 1.00 0.00 O ATOM 0 H SER B 5 12.637 -7.718 -16.037 1.00 0.00 H new ATOM 0 HA SER B 5 14.397 -6.140 -17.779 1.00 0.00 H new ATOM 0 HB2 SER B 5 12.504 -4.464 -18.024 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.394 -5.909 -19.008 1.00 0.00 H new ATOM 0 HG SER B 5 10.382 -5.402 -17.965 1.00 0.00 H new ATOM 663 N SER B 6 12.652 -4.781 -15.400 1.00 0.00 N ATOM 664 CA SER B 6 12.723 -4.003 -14.175 1.00 0.00 C ATOM 665 C SER B 6 12.253 -4.849 -12.989 1.00 0.00 C ATOM 666 O SER B 6 11.962 -4.317 -11.919 1.00 0.00 O ATOM 667 CB SER B 6 11.883 -2.728 -14.283 1.00 0.00 C ATOM 668 OG SER B 6 12.694 -1.558 -14.340 1.00 0.00 O ATOM 0 H SER B 6 11.732 -4.802 -15.840 1.00 0.00 H new ATOM 0 HA SER B 6 13.761 -3.710 -14.016 1.00 0.00 H new ATOM 0 HB2 SER B 6 11.258 -2.780 -15.175 1.00 0.00 H new ATOM 0 HB3 SER B 6 11.212 -2.662 -13.427 1.00 0.00 H new ATOM 0 HG SER B 6 12.121 -0.766 -14.410 1.00 0.00 H new ATOM 674 N LEU B 7 12.192 -6.152 -13.221 1.00 0.00 N ATOM 675 CA LEU B 7 11.764 -7.077 -12.186 1.00 0.00 C ATOM 676 C LEU B 7 12.345 -6.637 -10.841 1.00 0.00 C ATOM 677 O LEU B 7 11.703 -6.788 -9.803 1.00 0.00 O ATOM 678 CB LEU B 7 12.121 -8.514 -12.569 1.00 0.00 C ATOM 679 CG LEU B 7 11.095 -9.584 -12.189 1.00 0.00 C ATOM 680 CD1 LEU B 7 10.782 -10.492 -13.381 1.00 0.00 C ATOM 681 CD2 LEU B 7 11.561 -10.381 -10.969 1.00 0.00 C ATOM 0 H LEU B 7 12.432 -6.589 -14.111 1.00 0.00 H new ATOM 0 HA LEU B 7 10.679 -7.059 -12.086 1.00 0.00 H new ATOM 0 HB2 LEU B 7 12.276 -8.554 -13.647 1.00 0.00 H new ATOM 0 HB3 LEU B 7 13.072 -8.768 -12.101 1.00 0.00 H new ATOM 0 HG LEU B 7 10.167 -9.084 -11.912 1.00 0.00 H new ATOM 0 HD11 LEU B 7 10.050 -11.243 -13.084 1.00 0.00 H new ATOM 0 HD12 LEU B 7 10.377 -9.894 -14.197 1.00 0.00 H new ATOM 0 HD13 LEU B 7 11.696 -10.986 -13.712 1.00 0.00 H new ATOM 0 HD21 LEU B 7 10.814 -11.135 -10.720 1.00 0.00 H new ATOM 0 HD22 LEU B 7 12.509 -10.870 -11.194 1.00 0.00 H new ATOM 0 HD23 LEU B 7 11.693 -9.707 -10.123 1.00 0.00 H new ATOM 693 N GLU B 8 13.556 -6.101 -10.903 1.00 0.00 N ATOM 694 CA GLU B 8 14.231 -5.637 -9.703 1.00 0.00 C ATOM 695 C GLU B 8 13.584 -4.348 -9.193 1.00 0.00 C ATOM 696 O GLU B 8 13.298 -4.221 -8.004 1.00 0.00 O ATOM 697 CB GLU B 8 15.727 -5.437 -9.959 1.00 0.00 C ATOM 698 CG GLU B 8 16.491 -6.752 -9.797 1.00 0.00 C ATOM 699 CD GLU B 8 17.811 -6.530 -9.055 1.00 0.00 C ATOM 700 OE1 GLU B 8 17.868 -5.718 -8.120 1.00 0.00 O ATOM 701 OE2 GLU B 8 18.802 -7.239 -9.481 1.00 0.00 O ATOM 0 H GLU B 8 14.086 -5.978 -11.765 1.00 0.00 H new ATOM 0 HA GLU B 8 14.126 -6.401 -8.932 1.00 0.00 H new ATOM 0 HB2 GLU B 8 15.878 -5.046 -10.965 1.00 0.00 H new ATOM 0 HB3 GLU B 8 16.122 -4.695 -9.266 1.00 0.00 H new ATOM 0 HG2 GLU B 8 15.878 -7.468 -9.250 1.00 0.00 H new ATOM 0 HG3 GLU B 8 16.689 -7.185 -10.777 1.00 0.00 H new ATOM 709 N ALA B 9 13.372 -3.424 -10.120 1.00 0.00 N ATOM 710 CA ALA B 9 12.764 -2.149 -9.779 1.00 0.00 C ATOM 711 C ALA B 9 11.321 -2.381 -9.330 1.00 0.00 C ATOM 712 O ALA B 9 10.862 -1.776 -8.362 1.00 0.00 O ATOM 713 CB ALA B 9 12.858 -1.203 -10.978 1.00 0.00 C ATOM 0 H ALA B 9 13.610 -3.533 -11.106 1.00 0.00 H new ATOM 0 HA ALA B 9 13.294 -1.679 -8.951 1.00 0.00 H new ATOM 0 HB1 ALA B 9 12.402 -0.246 -10.723 1.00 0.00 H new ATOM 0 HB2 ALA B 9 13.905 -1.048 -11.238 1.00 0.00 H new ATOM 0 HB3 ALA B 9 12.334 -1.640 -11.828 1.00 0.00 H new ATOM 719 N VAL B 10 10.642 -3.258 -10.056 1.00 0.00 N ATOM 720 CA VAL B 10 9.260 -3.578 -9.744 1.00 0.00 C ATOM 721 C VAL B 10 9.214 -4.462 -8.497 1.00 0.00 C ATOM 722 O VAL B 10 8.234 -4.441 -7.753 1.00 0.00 O ATOM 723 CB VAL B 10 8.586 -4.221 -10.958 1.00 0.00 C ATOM 724 CG1 VAL B 10 7.072 -4.003 -10.924 1.00 0.00 C ATOM 725 CG2 VAL B 10 9.186 -3.694 -12.263 1.00 0.00 C ATOM 0 H VAL B 10 11.024 -3.757 -10.860 1.00 0.00 H new ATOM 0 HA VAL B 10 8.699 -2.671 -9.519 1.00 0.00 H new ATOM 0 HB VAL B 10 8.772 -5.294 -10.914 1.00 0.00 H new ATOM 0 HG11 VAL B 10 6.617 -4.470 -11.798 1.00 0.00 H new ATOM 0 HG12 VAL B 10 6.660 -4.449 -10.019 1.00 0.00 H new ATOM 0 HG13 VAL B 10 6.858 -2.934 -10.931 1.00 0.00 H new ATOM 0 HG21 VAL B 10 8.689 -4.168 -13.109 1.00 0.00 H new ATOM 0 HG22 VAL B 10 9.046 -2.614 -12.318 1.00 0.00 H new ATOM 0 HG23 VAL B 10 10.251 -3.924 -12.293 1.00 0.00 H new ATOM 735 N ARG B 11 10.285 -5.216 -8.306 1.00 0.00 N ATOM 736 CA ARG B 11 10.380 -6.107 -7.160 1.00 0.00 C ATOM 737 C ARG B 11 10.564 -5.298 -5.874 1.00 0.00 C ATOM 738 O ARG B 11 10.047 -5.671 -4.823 1.00 0.00 O ATOM 739 CB ARG B 11 11.548 -7.081 -7.314 1.00 0.00 C ATOM 740 CG ARG B 11 11.963 -7.658 -5.959 1.00 0.00 C ATOM 741 CD ARG B 11 13.031 -8.740 -6.128 1.00 0.00 C ATOM 742 NE ARG B 11 12.591 -9.992 -5.473 1.00 0.00 N ATOM 743 CZ ARG B 11 11.820 -10.928 -6.067 1.00 0.00 C ATOM 744 NH1 ARG B 11 11.396 -10.760 -7.338 1.00 0.00 N ATOM 745 NH2 ARG B 11 11.486 -12.009 -5.388 1.00 0.00 N ATOM 0 H ARG B 11 11.096 -5.229 -8.925 1.00 0.00 H new ATOM 0 HA ARG B 11 9.453 -6.677 -7.105 1.00 0.00 H new ATOM 0 HB2 ARG B 11 11.265 -7.891 -7.987 1.00 0.00 H new ATOM 0 HB3 ARG B 11 12.395 -6.569 -7.770 1.00 0.00 H new ATOM 0 HG2 ARG B 11 12.346 -6.861 -5.322 1.00 0.00 H new ATOM 0 HG3 ARG B 11 11.092 -8.077 -5.456 1.00 0.00 H new ATOM 0 HD2 ARG B 11 13.214 -8.919 -7.187 1.00 0.00 H new ATOM 0 HD3 ARG B 11 13.973 -8.404 -5.694 1.00 0.00 H new ATOM 0 HE ARG B 11 12.889 -10.158 -4.512 1.00 0.00 H new ATOM 0 HH11 ARG B 11 11.658 -9.921 -7.856 1.00 0.00 H new ATOM 0 HH12 ARG B 11 10.814 -11.472 -7.780 1.00 0.00 H new ATOM 0 HH21 ARG B 11 11.810 -12.129 -4.428 1.00 0.00 H new ATOM 0 HH22 ARG B 11 10.904 -12.725 -5.823 1.00 0.00 H new ATOM 758 N ARG B 12 11.303 -4.206 -6.001 1.00 0.00 N ATOM 759 CA ARG B 12 11.562 -3.342 -4.861 1.00 0.00 C ATOM 760 C ARG B 12 10.361 -2.433 -4.600 1.00 0.00 C ATOM 761 O ARG B 12 10.082 -2.078 -3.455 1.00 0.00 O ATOM 762 CB ARG B 12 12.804 -2.478 -5.097 1.00 0.00 C ATOM 763 CG ARG B 12 13.139 -1.651 -3.854 1.00 0.00 C ATOM 764 CD ARG B 12 13.945 -0.405 -4.226 1.00 0.00 C ATOM 765 NE ARG B 12 15.102 -0.257 -3.315 1.00 0.00 N ATOM 766 CZ ARG B 12 16.107 0.623 -3.503 1.00 0.00 C ATOM 767 NH1 ARG B 12 16.105 1.446 -4.574 1.00 0.00 N ATOM 768 NH2 ARG B 12 17.091 0.669 -2.625 1.00 0.00 N ATOM 0 H ARG B 12 11.731 -3.899 -6.875 1.00 0.00 H new ATOM 0 HA ARG B 12 11.735 -3.980 -3.994 1.00 0.00 H new ATOM 0 HB2 ARG B 12 13.651 -3.114 -5.354 1.00 0.00 H new ATOM 0 HB3 ARG B 12 12.634 -1.815 -5.945 1.00 0.00 H new ATOM 0 HG2 ARG B 12 12.219 -1.356 -3.350 1.00 0.00 H new ATOM 0 HG3 ARG B 12 13.707 -2.259 -3.150 1.00 0.00 H new ATOM 0 HD2 ARG B 12 14.291 -0.481 -5.257 1.00 0.00 H new ATOM 0 HD3 ARG B 12 13.310 0.479 -4.167 1.00 0.00 H new ATOM 0 HE ARG B 12 15.142 -0.859 -2.492 1.00 0.00 H new ATOM 0 HH11 ARG B 12 15.340 1.405 -5.247 1.00 0.00 H new ATOM 0 HH12 ARG B 12 16.868 2.109 -4.709 1.00 0.00 H new ATOM 0 HH21 ARG B 12 17.084 0.045 -1.818 1.00 0.00 H new ATOM 0 HH22 ARG B 12 17.858 1.329 -2.753 1.00 0.00 H new ATOM 781 N LYS B 13 9.679 -2.080 -5.680 1.00 0.00 N ATOM 782 CA LYS B 13 8.512 -1.220 -5.582 1.00 0.00 C ATOM 783 C LYS B 13 7.324 -2.035 -5.068 1.00 0.00 C ATOM 784 O LYS B 13 6.522 -1.539 -4.279 1.00 0.00 O ATOM 785 CB LYS B 13 8.247 -0.523 -6.918 1.00 0.00 C ATOM 786 CG LYS B 13 7.841 0.937 -6.703 1.00 0.00 C ATOM 787 CD LYS B 13 8.338 1.819 -7.849 1.00 0.00 C ATOM 788 CE LYS B 13 7.640 3.181 -7.836 1.00 0.00 C ATOM 789 NZ LYS B 13 7.280 3.593 -9.211 1.00 0.00 N ATOM 0 H LYS B 13 9.913 -2.374 -6.628 1.00 0.00 H new ATOM 0 HA LYS B 13 8.687 -0.422 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS B 13 9.141 -0.568 -7.540 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.458 -1.048 -7.456 1.00 0.00 H new ATOM 0 HG2 LYS B 13 6.756 1.009 -6.628 1.00 0.00 H new ATOM 0 HG3 LYS B 13 8.250 1.297 -5.759 1.00 0.00 H new ATOM 0 HD2 LYS B 13 9.416 1.958 -7.764 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.155 1.322 -8.801 1.00 0.00 H new ATOM 0 HE2 LYS B 13 6.743 3.130 -7.219 1.00 0.00 H new ATOM 0 HE3 LYS B 13 8.295 3.927 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.807 4.519 -9.183 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 8.141 3.661 -9.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.638 2.889 -9.627 1.00 0.00 H new ATOM 802 N ILE B 14 7.249 -3.272 -5.535 1.00 0.00 N ATOM 803 CA ILE B 14 6.173 -4.161 -5.133 1.00 0.00 C ATOM 804 C ILE B 14 6.349 -4.535 -3.659 1.00 0.00 C ATOM 805 O ILE B 14 5.435 -4.357 -2.856 1.00 0.00 O ATOM 806 CB ILE B 14 6.097 -5.370 -6.068 1.00 0.00 C ATOM 807 CG1 ILE B 14 4.711 -6.016 -6.017 1.00 0.00 C ATOM 808 CG2 ILE B 14 7.209 -6.373 -5.759 1.00 0.00 C ATOM 809 CD1 ILE B 14 4.537 -6.839 -4.738 1.00 0.00 C ATOM 0 H ILE B 14 7.917 -3.680 -6.189 1.00 0.00 H new ATOM 0 HA ILE B 14 5.211 -3.657 -5.223 1.00 0.00 H new ATOM 0 HB ILE B 14 6.253 -5.022 -7.089 1.00 0.00 H new ATOM 0 HG12 ILE B 14 3.944 -5.243 -6.064 1.00 0.00 H new ATOM 0 HG13 ILE B 14 4.572 -6.657 -6.888 1.00 0.00 H new ATOM 0 HG21 ILE B 14 7.132 -7.222 -6.438 1.00 0.00 H new ATOM 0 HG22 ILE B 14 8.179 -5.892 -5.888 1.00 0.00 H new ATOM 0 HG23 ILE B 14 7.110 -6.720 -4.731 1.00 0.00 H new ATOM 0 HD11 ILE B 14 3.544 -7.288 -4.726 1.00 0.00 H new ATOM 0 HD12 ILE B 14 5.291 -7.626 -4.706 1.00 0.00 H new ATOM 0 HD13 ILE B 14 4.653 -6.191 -3.870 1.00 0.00 H new ATOM 821 N ARG B 15 7.532 -5.045 -3.349 1.00 0.00 N ATOM 822 CA ARG B 15 7.841 -5.446 -1.987 1.00 0.00 C ATOM 823 C ARG B 15 7.720 -4.248 -1.042 1.00 0.00 C ATOM 824 O ARG B 15 7.185 -4.372 0.058 1.00 0.00 O ATOM 825 CB ARG B 15 9.254 -6.023 -1.888 1.00 0.00 C ATOM 826 CG ARG B 15 10.303 -4.909 -1.884 1.00 0.00 C ATOM 827 CD ARG B 15 11.717 -5.488 -1.802 1.00 0.00 C ATOM 828 NE ARG B 15 12.566 -4.631 -0.945 1.00 0.00 N ATOM 829 CZ ARG B 15 13.737 -5.026 -0.401 1.00 0.00 C ATOM 830 NH1 ARG B 15 14.207 -6.273 -0.620 1.00 0.00 N ATOM 831 NH2 ARG B 15 14.414 -4.177 0.349 1.00 0.00 N ATOM 0 H ARG B 15 8.288 -5.190 -4.018 1.00 0.00 H new ATOM 0 HA ARG B 15 7.126 -6.217 -1.698 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.345 -6.616 -0.978 1.00 0.00 H new ATOM 0 HB3 ARG B 15 9.436 -6.695 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG B 15 10.204 -4.308 -2.788 1.00 0.00 H new ATOM 0 HG3 ARG B 15 10.129 -4.244 -1.038 1.00 0.00 H new ATOM 0 HD2 ARG B 15 11.682 -6.500 -1.398 1.00 0.00 H new ATOM 0 HD3 ARG B 15 12.148 -5.559 -2.801 1.00 0.00 H new ATOM 0 HE ARG B 15 12.246 -3.682 -0.753 1.00 0.00 H new ATOM 0 HH11 ARG B 15 13.677 -6.923 -1.200 1.00 0.00 H new ATOM 0 HH12 ARG B 15 15.092 -6.564 -0.206 1.00 0.00 H new ATOM 0 HH21 ARG B 15 14.051 -3.238 0.511 1.00 0.00 H new ATOM 0 HH22 ARG B 15 15.300 -4.460 0.767 1.00 0.00 H new ATOM 844 N SER B 16 8.228 -3.115 -1.506 1.00 0.00 N ATOM 845 CA SER B 16 8.183 -1.896 -0.716 1.00 0.00 C ATOM 846 C SER B 16 6.730 -1.493 -0.458 1.00 0.00 C ATOM 847 O SER B 16 6.322 -1.334 0.691 1.00 0.00 O ATOM 848 CB SER B 16 8.934 -0.760 -1.414 1.00 0.00 C ATOM 849 OG SER B 16 10.347 -0.914 -1.315 1.00 0.00 O ATOM 0 H SER B 16 8.673 -3.016 -2.419 1.00 0.00 H new ATOM 0 HA SER B 16 8.674 -2.088 0.238 1.00 0.00 H new ATOM 0 HB2 SER B 16 8.646 -0.727 -2.465 1.00 0.00 H new ATOM 0 HB3 SER B 16 8.641 0.193 -0.973 1.00 0.00 H new ATOM 0 HG SER B 16 10.643 -1.618 -1.929 1.00 0.00 H new ATOM 855 N LEU B 17 5.991 -1.337 -1.545 1.00 0.00 N ATOM 856 CA LEU B 17 4.592 -0.955 -1.450 1.00 0.00 C ATOM 857 C LEU B 17 3.848 -1.969 -0.578 1.00 0.00 C ATOM 858 O LEU B 17 2.982 -1.597 0.211 1.00 0.00 O ATOM 859 CB LEU B 17 3.987 -0.784 -2.845 1.00 0.00 C ATOM 860 CG LEU B 17 4.349 0.508 -3.580 1.00 0.00 C ATOM 861 CD1 LEU B 17 3.196 1.512 -3.526 1.00 0.00 C ATOM 862 CD2 LEU B 17 5.651 1.101 -3.036 1.00 0.00 C ATOM 0 H LEU B 17 6.334 -1.468 -2.497 1.00 0.00 H new ATOM 0 HA LEU B 17 4.495 0.016 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.299 -1.628 -3.460 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.902 -0.837 -2.758 1.00 0.00 H new ATOM 0 HG LEU B 17 4.517 0.268 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.480 2.421 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.314 1.078 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.972 1.753 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.886 2.019 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU B 17 5.534 1.323 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.461 0.384 -3.170 1.00 0.00 H new ATOM 874 N GLN B 18 4.214 -3.231 -0.751 1.00 0.00 N ATOM 875 CA GLN B 18 3.593 -4.301 0.011 1.00 0.00 C ATOM 876 C GLN B 18 3.707 -4.021 1.511 1.00 0.00 C ATOM 877 O GLN B 18 2.720 -4.111 2.239 1.00 0.00 O ATOM 878 CB GLN B 18 4.211 -5.656 -0.343 1.00 0.00 C ATOM 879 CG GLN B 18 3.508 -6.790 0.405 1.00 0.00 C ATOM 880 CD GLN B 18 4.524 -7.754 1.020 1.00 0.00 C ATOM 881 OE1 GLN B 18 4.688 -7.837 2.227 1.00 0.00 O ATOM 882 NE2 GLN B 18 5.196 -8.475 0.128 1.00 0.00 N ATOM 0 H GLN B 18 4.933 -3.536 -1.408 1.00 0.00 H new ATOM 0 HA GLN B 18 2.536 -4.341 -0.251 1.00 0.00 H new ATOM 0 HB2 GLN B 18 4.138 -5.824 -1.418 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.272 -5.653 -0.092 1.00 0.00 H new ATOM 0 HG2 GLN B 18 2.874 -6.375 1.189 1.00 0.00 H new ATOM 0 HG3 GLN B 18 2.855 -7.332 -0.279 1.00 0.00 H new ATOM 0 HE21 GLN B 18 5.010 -8.357 -0.868 1.00 0.00 H new ATOM 0 HE22 GLN B 18 5.898 -9.147 0.439 1.00 0.00 H new ATOM 891 N GLU B 19 4.919 -3.687 1.928 1.00 0.00 N ATOM 892 CA GLU B 19 5.175 -3.393 3.327 1.00 0.00 C ATOM 893 C GLU B 19 4.304 -2.223 3.791 1.00 0.00 C ATOM 894 O GLU B 19 3.736 -2.262 4.881 1.00 0.00 O ATOM 895 CB GLU B 19 6.658 -3.101 3.564 1.00 0.00 C ATOM 896 CG GLU B 19 7.492 -4.378 3.453 1.00 0.00 C ATOM 897 CD GLU B 19 8.966 -4.098 3.754 1.00 0.00 C ATOM 898 OE1 GLU B 19 9.607 -3.315 3.037 1.00 0.00 O ATOM 899 OE2 GLU B 19 9.443 -4.726 4.775 1.00 0.00 O ATOM 0 H GLU B 19 5.735 -3.613 1.321 1.00 0.00 H new ATOM 0 HA GLU B 19 4.914 -4.272 3.917 1.00 0.00 H new ATOM 0 HB2 GLU B 19 7.009 -2.369 2.837 1.00 0.00 H new ATOM 0 HB3 GLU B 19 6.792 -2.659 4.551 1.00 0.00 H new ATOM 0 HG2 GLU B 19 7.111 -5.127 4.147 1.00 0.00 H new ATOM 0 HG3 GLU B 19 7.395 -4.794 2.450 1.00 0.00 H new ATOM 907 N GLN B 20 4.229 -1.209 2.941 1.00 0.00 N ATOM 908 CA GLN B 20 3.437 -0.031 3.250 1.00 0.00 C ATOM 909 C GLN B 20 1.948 -0.380 3.266 1.00 0.00 C ATOM 910 O GLN B 20 1.179 0.197 4.033 1.00 0.00 O ATOM 911 CB GLN B 20 3.725 1.098 2.259 1.00 0.00 C ATOM 912 CG GLN B 20 2.564 2.093 2.209 1.00 0.00 C ATOM 913 CD GLN B 20 3.006 3.421 1.589 1.00 0.00 C ATOM 914 OE1 GLN B 20 2.018 4.109 1.023 1.00 0.00 O flip ATOM 915 NE2 GLN B 20 4.166 3.796 1.623 1.00 0.00 N flip ATOM 0 H GLN B 20 4.704 -1.179 2.039 1.00 0.00 H new ATOM 0 HA GLN B 20 3.717 0.321 4.243 1.00 0.00 H new ATOM 0 HB2 GLN B 20 4.640 1.615 2.548 1.00 0.00 H new ATOM 0 HB3 GLN B 20 3.894 0.681 1.266 1.00 0.00 H new ATOM 0 HG2 GLN B 20 1.744 1.671 1.628 1.00 0.00 H new ATOM 0 HG3 GLN B 20 2.185 2.266 3.216 1.00 0.00 H new ATOM 0 HE21 GLN B 20 4.876 3.219 2.074 1.00 0.00 H new ATOM 0 HE22 GLN B 20 4.427 4.687 1.201 1.00 0.00 H new ATOM 924 N ASN B 21 1.585 -1.324 2.409 1.00 0.00 N ATOM 925 CA ASN B 21 0.201 -1.758 2.315 1.00 0.00 C ATOM 926 C ASN B 21 -0.240 -2.338 3.661 1.00 0.00 C ATOM 927 O ASN B 21 -1.312 -2.006 4.163 1.00 0.00 O ATOM 928 CB ASN B 21 0.036 -2.845 1.253 1.00 0.00 C ATOM 929 CG ASN B 21 -0.329 -2.237 -0.104 1.00 0.00 C ATOM 930 OD1 ASN B 21 -1.456 -2.312 -0.563 1.00 0.00 O ATOM 931 ND2 ASN B 21 0.686 -1.632 -0.715 1.00 0.00 N ATOM 0 H ASN B 21 2.225 -1.800 1.774 1.00 0.00 H new ATOM 0 HA ASN B 21 -0.406 -0.894 2.043 1.00 0.00 H new ATOM 0 HB2 ASN B 21 0.961 -3.414 1.163 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -0.740 -3.545 1.562 1.00 0.00 H new ATOM 0 HD21 ASN B 21 0.545 -1.194 -1.625 1.00 0.00 H new ATOM 0 HD22 ASN B 21 1.605 -1.606 -0.273 1.00 0.00 H new ATOM 938 N TYR B 22 0.611 -3.196 4.205 1.00 0.00 N ATOM 939 CA TYR B 22 0.324 -3.826 5.482 1.00 0.00 C ATOM 940 C TYR B 22 0.559 -2.853 6.639 1.00 0.00 C ATOM 941 O TYR B 22 -0.014 -3.015 7.715 1.00 0.00 O ATOM 942 CB TYR B 22 1.304 -4.995 5.605 1.00 0.00 C ATOM 943 CG TYR B 22 0.679 -6.273 6.168 1.00 0.00 C ATOM 944 CD1 TYR B 22 -0.381 -6.868 5.515 1.00 0.00 C ATOM 945 CD2 TYR B 22 1.178 -6.832 7.327 1.00 0.00 C ATOM 946 CE1 TYR B 22 -0.968 -8.072 6.045 1.00 0.00 C ATOM 947 CE2 TYR B 22 0.591 -8.036 7.856 1.00 0.00 C ATOM 948 CZ TYR B 22 -0.453 -8.597 7.189 1.00 0.00 C ATOM 949 OH TYR B 22 -1.008 -9.734 7.688 1.00 0.00 O ATOM 0 H TYR B 22 1.499 -3.469 3.784 1.00 0.00 H new ATOM 0 HA TYR B 22 -0.717 -4.147 5.527 1.00 0.00 H new ATOM 0 HB2 TYR B 22 1.723 -5.210 4.622 1.00 0.00 H new ATOM 0 HB3 TYR B 22 2.133 -4.695 6.246 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -0.770 -6.431 4.607 1.00 0.00 H new ATOM 0 HD2 TYR B 22 2.008 -6.367 7.837 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -1.799 -8.547 5.545 1.00 0.00 H new ATOM 0 HE2 TYR B 22 0.971 -8.483 8.762 1.00 0.00 H new ATOM 0 HH TYR B 22 -0.538 -9.995 8.508 1.00 0.00 H new ATOM 959 N HIS B 23 1.403 -1.866 6.378 1.00 0.00 N ATOM 960 CA HIS B 23 1.721 -0.868 7.384 1.00 0.00 C ATOM 961 C HIS B 23 0.565 0.128 7.504 1.00 0.00 C ATOM 962 O HIS B 23 0.198 0.529 8.607 1.00 0.00 O ATOM 963 CB HIS B 23 3.057 -0.190 7.074 1.00 0.00 C ATOM 964 CG HIS B 23 4.148 -0.496 8.072 1.00 0.00 C ATOM 965 ND1 HIS B 23 5.478 -0.193 7.846 1.00 0.00 N ATOM 966 CD2 HIS B 23 4.090 -1.079 9.305 1.00 0.00 C ATOM 967 CE1 HIS B 23 6.181 -0.582 8.900 1.00 0.00 C ATOM 968 NE2 HIS B 23 5.319 -1.132 9.802 1.00 0.00 N ATOM 0 H HIS B 23 1.876 -1.736 5.484 1.00 0.00 H new ATOM 0 HA HIS B 23 1.841 -1.351 8.354 1.00 0.00 H new ATOM 0 HB2 HIS B 23 3.388 -0.500 6.083 1.00 0.00 H new ATOM 0 HB3 HIS B 23 2.905 0.889 7.037 1.00 0.00 H new ATOM 0 HD2 HIS B 23 3.195 -1.436 9.793 1.00 0.00 H new ATOM 0 HE1 HIS B 23 7.249 -0.481 9.023 1.00 0.00 H new ATOM 0 HE2 HIS B 23 5.577 -1.520 10.709 1.00 0.00 H new ATOM 976 N LEU B 24 0.023 0.496 6.352 1.00 0.00 N ATOM 977 CA LEU B 24 -1.084 1.435 6.313 1.00 0.00 C ATOM 978 C LEU B 24 -2.389 0.694 6.612 1.00 0.00 C ATOM 979 O LEU B 24 -3.345 1.288 7.108 1.00 0.00 O ATOM 980 CB LEU B 24 -1.099 2.193 4.983 1.00 0.00 C ATOM 981 CG LEU B 24 -0.228 3.449 4.918 1.00 0.00 C ATOM 982 CD1 LEU B 24 1.224 3.130 5.279 1.00 0.00 C ATOM 983 CD2 LEU B 24 -0.343 4.125 3.549 1.00 0.00 C ATOM 0 H LEU B 24 0.330 0.161 5.439 1.00 0.00 H new ATOM 0 HA LEU B 24 -0.964 2.195 7.085 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -0.778 1.511 4.195 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.128 2.476 4.760 1.00 0.00 H new ATOM 0 HG LEU B 24 -0.595 4.158 5.660 1.00 0.00 H new ATOM 0 HD11 LEU B 24 1.821 4.040 5.225 1.00 0.00 H new ATOM 0 HD12 LEU B 24 1.267 2.727 6.291 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.620 2.394 4.579 1.00 0.00 H new ATOM 0 HD21 LEU B 24 0.286 5.015 3.529 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -0.017 3.433 2.773 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.380 4.409 3.369 1.00 0.00 H new ATOM 995 N GLU B 25 -2.386 -0.593 6.299 1.00 0.00 N ATOM 996 CA GLU B 25 -3.557 -1.422 6.528 1.00 0.00 C ATOM 997 C GLU B 25 -3.713 -1.718 8.021 1.00 0.00 C ATOM 998 O GLU B 25 -4.824 -1.693 8.549 1.00 0.00 O ATOM 999 CB GLU B 25 -3.479 -2.717 5.718 1.00 0.00 C ATOM 1000 CG GLU B 25 -4.618 -3.667 6.092 1.00 0.00 C ATOM 1001 CD GLU B 25 -4.501 -4.991 5.332 1.00 0.00 C ATOM 1002 OE1 GLU B 25 -3.675 -5.842 5.693 1.00 0.00 O ATOM 1003 OE2 GLU B 25 -5.306 -5.119 4.333 1.00 0.00 O ATOM 0 H GLU B 25 -1.591 -1.082 5.888 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.437 -0.874 6.192 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.527 -2.488 4.653 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -2.521 -3.205 5.896 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.600 -3.857 7.165 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.576 -3.198 5.867 1.00 0.00 H new ATOM 1011 N ASN B 26 -2.585 -1.992 8.659 1.00 0.00 N ATOM 1012 CA ASN B 26 -2.584 -2.293 10.080 1.00 0.00 C ATOM 1013 C ASN B 26 -2.682 -0.988 10.873 1.00 0.00 C ATOM 1014 O ASN B 26 -3.291 -0.951 11.942 1.00 0.00 O ATOM 1015 CB ASN B 26 -1.291 -3.000 10.493 1.00 0.00 C ATOM 1016 CG ASN B 26 -1.298 -4.462 10.042 1.00 0.00 C ATOM 1017 OD1 ASN B 26 -2.287 -5.166 10.149 1.00 0.00 O ATOM 1018 ND2 ASN B 26 -0.140 -4.877 9.533 1.00 0.00 N ATOM 0 H ASN B 26 -1.665 -2.012 8.218 1.00 0.00 H new ATOM 0 HA ASN B 26 -3.433 -2.944 10.287 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -0.435 -2.485 10.056 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -1.175 -2.950 11.576 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -0.043 -5.837 9.204 1.00 0.00 H new ATOM 0 HD22 ASN B 26 0.650 -4.235 9.472 1.00 0.00 H new ATOM 1025 N GLU B 27 -2.073 0.051 10.320 1.00 0.00 N ATOM 1026 CA GLU B 27 -2.085 1.354 10.962 1.00 0.00 C ATOM 1027 C GLU B 27 -3.500 1.935 10.957 1.00 0.00 C ATOM 1028 O GLU B 27 -3.962 2.463 11.968 1.00 0.00 O ATOM 1029 CB GLU B 27 -1.098 2.308 10.286 1.00 0.00 C ATOM 1030 CG GLU B 27 -1.156 3.697 10.922 1.00 0.00 C ATOM 1031 CD GLU B 27 -0.196 3.798 12.110 1.00 0.00 C ATOM 1032 OE1 GLU B 27 -0.544 3.380 13.224 1.00 0.00 O ATOM 1033 OE2 GLU B 27 0.947 4.333 11.843 1.00 0.00 O ATOM 0 H GLU B 27 -1.568 0.017 9.434 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.768 1.230 11.997 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -0.087 1.909 10.367 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -1.327 2.381 9.223 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -0.901 4.452 10.179 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -2.173 3.907 11.253 1.00 0.00 H new ATOM 1041 N VAL B 28 -4.150 1.819 9.809 1.00 0.00 N ATOM 1042 CA VAL B 28 -5.504 2.326 9.659 1.00 0.00 C ATOM 1043 C VAL B 28 -6.453 1.497 10.526 1.00 0.00 C ATOM 1044 O VAL B 28 -7.247 2.049 11.287 1.00 0.00 O ATOM 1045 CB VAL B 28 -5.898 2.336 8.181 1.00 0.00 C ATOM 1046 CG1 VAL B 28 -6.310 0.938 7.714 1.00 0.00 C ATOM 1047 CG2 VAL B 28 -7.012 3.352 7.918 1.00 0.00 C ATOM 0 H VAL B 28 -3.764 1.381 8.973 1.00 0.00 H new ATOM 0 HA VAL B 28 -5.566 3.358 10.005 1.00 0.00 H new ATOM 0 HB VAL B 28 -5.025 2.639 7.603 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -6.585 0.973 6.660 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -5.476 0.249 7.849 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -7.162 0.595 8.300 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -7.274 3.339 6.860 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -7.889 3.093 8.512 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -6.668 4.349 8.195 1.00 0.00 H new ATOM 1057 N ALA B 29 -6.341 0.185 10.381 1.00 0.00 N ATOM 1058 CA ALA B 29 -7.180 -0.726 11.141 1.00 0.00 C ATOM 1059 C ALA B 29 -7.070 -0.392 12.630 1.00 0.00 C ATOM 1060 O ALA B 29 -8.081 -0.202 13.304 1.00 0.00 O ATOM 1061 CB ALA B 29 -6.775 -2.169 10.836 1.00 0.00 C ATOM 0 H ALA B 29 -5.682 -0.269 9.749 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.226 -0.614 10.854 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -7.405 -2.852 11.406 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.900 -2.364 9.771 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.732 -2.320 11.113 1.00 0.00 H new ATOM 1067 N ARG B 30 -5.832 -0.330 13.100 1.00 0.00 N ATOM 1068 CA ARG B 30 -5.577 -0.023 14.497 1.00 0.00 C ATOM 1069 C ARG B 30 -5.977 1.422 14.804 1.00 0.00 C ATOM 1070 O ARG B 30 -6.263 1.761 15.951 1.00 0.00 O ATOM 1071 CB ARG B 30 -4.100 -0.219 14.843 1.00 0.00 C ATOM 1072 CG ARG B 30 -3.941 -1.076 16.100 1.00 0.00 C ATOM 1073 CD ARG B 30 -2.608 -1.828 16.087 1.00 0.00 C ATOM 1074 NE ARG B 30 -2.540 -2.757 17.238 1.00 0.00 N ATOM 1075 CZ ARG B 30 -1.552 -3.657 17.426 1.00 0.00 C ATOM 1076 NH1 ARG B 30 -0.539 -3.759 16.539 1.00 0.00 N ATOM 1077 NH2 ARG B 30 -1.590 -4.437 18.491 1.00 0.00 N ATOM 0 H ARG B 30 -4.995 -0.487 12.538 1.00 0.00 H new ATOM 0 HA ARG B 30 -6.174 -0.706 15.101 1.00 0.00 H new ATOM 0 HB2 ARG B 30 -3.587 -0.694 14.007 1.00 0.00 H new ATOM 0 HB3 ARG B 30 -3.627 0.751 14.997 1.00 0.00 H new ATOM 0 HG2 ARG B 30 -3.997 -0.443 16.985 1.00 0.00 H new ATOM 0 HG3 ARG B 30 -4.764 -1.788 16.165 1.00 0.00 H new ATOM 0 HD2 ARG B 30 -2.503 -2.383 15.155 1.00 0.00 H new ATOM 0 HD3 ARG B 30 -1.781 -1.120 16.131 1.00 0.00 H new ATOM 0 HE ARG B 30 -3.286 -2.714 17.932 1.00 0.00 H new ATOM 0 HH11 ARG B 30 -0.516 -3.153 15.719 1.00 0.00 H new ATOM 0 HH12 ARG B 30 0.203 -4.442 16.689 1.00 0.00 H new ATOM 0 HH21 ARG B 30 -2.358 -4.354 19.157 1.00 0.00 H new ATOM 0 HH22 ARG B 30 -0.851 -5.122 18.648 1.00 0.00 H new ATOM 1090 N LEU B 31 -5.983 2.235 13.758 1.00 0.00 N ATOM 1091 CA LEU B 31 -6.343 3.637 13.901 1.00 0.00 C ATOM 1092 C LEU B 31 -7.843 3.747 14.180 1.00 0.00 C ATOM 1093 O LEU B 31 -8.248 4.202 15.248 1.00 0.00 O ATOM 1094 CB LEU B 31 -5.884 4.436 12.680 1.00 0.00 C ATOM 1095 CG LEU B 31 -6.366 5.886 12.607 1.00 0.00 C ATOM 1096 CD1 LEU B 31 -5.515 6.791 13.502 1.00 0.00 C ATOM 1097 CD2 LEU B 31 -6.400 6.381 11.160 1.00 0.00 C ATOM 0 H LEU B 31 -5.745 1.951 12.808 1.00 0.00 H new ATOM 0 HA LEU B 31 -5.826 4.078 14.753 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -4.794 4.435 12.659 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -6.221 3.916 11.783 1.00 0.00 H new ATOM 0 HG LEU B 31 -7.388 5.926 12.985 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -5.878 7.816 13.432 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -5.585 6.451 14.535 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -4.476 6.751 13.176 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -6.746 7.414 11.137 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -5.399 6.324 10.732 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -7.079 5.758 10.578 1.00 0.00 H new ATOM 1109 N LYS B 32 -8.628 3.323 13.199 1.00 0.00 N ATOM 1110 CA LYS B 32 -10.074 3.368 13.326 1.00 0.00 C ATOM 1111 C LYS B 32 -10.488 2.715 14.646 1.00 0.00 C ATOM 1112 O LYS B 32 -11.445 3.150 15.285 1.00 0.00 O ATOM 1113 CB LYS B 32 -10.740 2.745 12.096 1.00 0.00 C ATOM 1114 CG LYS B 32 -10.226 1.324 11.858 1.00 0.00 C ATOM 1115 CD LYS B 32 -10.375 0.927 10.388 1.00 0.00 C ATOM 1116 CE LYS B 32 -9.617 1.897 9.478 1.00 0.00 C ATOM 1117 NZ LYS B 32 -10.565 2.693 8.667 1.00 0.00 N ATOM 0 H LYS B 32 -8.289 2.947 12.314 1.00 0.00 H new ATOM 0 HA LYS B 32 -10.421 4.401 13.359 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.821 2.727 12.233 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -10.540 3.360 11.219 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -9.178 1.258 12.152 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -10.778 0.624 12.485 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -9.998 -0.085 10.241 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -11.430 0.917 10.116 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -8.997 2.561 10.080 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -8.946 1.342 8.823 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -10.035 3.346 8.055 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -11.139 2.056 8.078 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -11.188 3.238 9.297 1.00 0.00 H new ATOM 1130 N LYS B 33 -9.746 1.682 15.017 1.00 0.00 N ATOM 1131 CA LYS B 33 -10.023 0.965 16.248 1.00 0.00 C ATOM 1132 C LYS B 33 -9.644 1.844 17.442 1.00 0.00 C ATOM 1133 O LYS B 33 -10.504 2.231 18.231 1.00 0.00 O ATOM 1134 CB LYS B 33 -9.328 -0.398 16.243 1.00 0.00 C ATOM 1135 CG LYS B 33 -9.769 -1.242 17.442 1.00 0.00 C ATOM 1136 CD LYS B 33 -8.793 -1.085 18.610 1.00 0.00 C ATOM 1137 CE LYS B 33 -7.478 -1.815 18.329 1.00 0.00 C ATOM 1138 NZ LYS B 33 -6.371 -1.205 19.099 1.00 0.00 N ATOM 0 H LYS B 33 -8.952 1.325 14.485 1.00 0.00 H new ATOM 0 HA LYS B 33 -11.089 0.753 16.333 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -9.560 -0.925 15.318 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.247 -0.259 16.269 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -10.769 -0.941 17.755 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -9.828 -2.291 17.151 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.596 -0.027 18.784 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.244 -1.479 19.521 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -7.576 -2.868 18.594 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -7.253 -1.774 17.263 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -5.486 -1.713 18.896 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -6.268 -0.207 18.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -6.580 -1.266 20.116 1.00 0.00 H new ATOM 1151 N LEU B 34 -8.354 2.134 17.536 1.00 0.00 N ATOM 1152 CA LEU B 34 -7.850 2.961 18.619 1.00 0.00 C ATOM 1153 C LEU B 34 -8.705 4.225 18.731 1.00 0.00 C ATOM 1154 O LEU B 34 -9.221 4.537 19.802 1.00 0.00 O ATOM 1155 CB LEU B 34 -6.358 3.242 18.429 1.00 0.00 C ATOM 1156 CG LEU B 34 -5.642 3.895 19.613 1.00 0.00 C ATOM 1157 CD1 LEU B 34 -4.679 2.912 20.281 1.00 0.00 C ATOM 1158 CD2 LEU B 34 -4.940 5.185 19.185 1.00 0.00 C ATOM 0 H LEU B 34 -7.643 1.811 16.880 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.933 2.435 19.570 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.857 2.301 18.202 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.238 3.886 17.558 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.390 4.168 20.357 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.183 3.401 21.119 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -5.235 2.047 20.643 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.932 2.586 19.557 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.439 5.629 20.045 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.204 4.960 18.413 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.676 5.886 18.792 1.00 0.00 H new ATOM 1170 N VAL B 35 -8.828 4.919 17.608 1.00 0.00 N ATOM 1171 CA VAL B 35 -9.611 6.142 17.567 1.00 0.00 C ATOM 1172 C VAL B 35 -11.044 5.839 18.007 1.00 0.00 C ATOM 1173 O VAL B 35 -11.563 6.475 18.924 1.00 0.00 O ATOM 1174 CB VAL B 35 -9.533 6.765 16.172 1.00 0.00 C ATOM 1175 CG1 VAL B 35 -8.081 6.887 15.706 1.00 0.00 C ATOM 1176 CG2 VAL B 35 -10.367 5.968 15.168 1.00 0.00 C ATOM 0 H VAL B 35 -8.399 4.657 16.721 1.00 0.00 H new ATOM 0 HA VAL B 35 -9.207 6.879 18.261 1.00 0.00 H new ATOM 0 HB VAL B 35 -9.951 7.770 16.230 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -8.054 7.333 14.712 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -7.527 7.518 16.402 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -7.625 5.897 15.672 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -10.294 6.432 14.185 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -9.993 4.945 15.115 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -11.409 5.957 15.488 1.00 0.00 H new ATOM 1186 N GLY B 36 -11.645 4.869 17.334 1.00 0.00 N ATOM 1187 CA GLY B 36 -13.008 4.475 17.645 1.00 0.00 C ATOM 1188 C GLY B 36 -13.849 5.685 18.054 1.00 0.00 C ATOM 1189 O GLY B 36 -14.740 5.572 18.895 1.00 0.00 O ATOM 0 H GLY B 36 -11.212 4.344 16.574 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -13.457 3.992 16.777 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -13.003 3.742 18.451 1.00 0.00 H new ATOM 1193 N GLU B 37 -13.538 6.817 17.440 1.00 0.00 N ATOM 1194 CA GLU B 37 -14.253 8.048 17.729 1.00 0.00 C ATOM 1195 C GLU B 37 -15.672 7.983 17.160 1.00 0.00 C ATOM 1196 O GLU B 37 -16.166 6.904 16.834 1.00 0.00 O ATOM 1197 CB GLU B 37 -13.499 9.263 17.185 1.00 0.00 C ATOM 1198 CG GLU B 37 -13.110 10.218 18.314 1.00 0.00 C ATOM 1199 CD GLU B 37 -14.347 10.886 18.917 1.00 0.00 C ATOM 1200 OE1 GLU B 37 -14.979 11.727 18.263 1.00 0.00 O ATOM 1201 OE2 GLU B 37 -14.646 10.501 20.112 1.00 0.00 O ATOM 0 H GLU B 37 -12.799 6.907 16.742 1.00 0.00 H new ATOM 0 HA GLU B 37 -14.320 8.160 18.811 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -12.604 8.934 16.658 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -14.121 9.787 16.459 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -12.573 9.671 19.089 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -12.430 10.980 17.933 1.00 0.00 H new ATOM 1209 N ARG B 38 -16.288 9.152 17.057 1.00 0.00 N ATOM 1210 CA ARG B 38 -17.641 9.241 16.533 1.00 0.00 C ATOM 1211 C ARG B 38 -17.627 9.862 15.135 1.00 0.00 C ATOM 1212 O ARG B 38 -18.668 10.276 14.625 1.00 0.00 O ATOM 1213 CB ARG B 38 -18.531 10.082 17.448 1.00 0.00 C ATOM 1214 CG ARG B 38 -19.938 9.490 17.541 1.00 0.00 C ATOM 1215 CD ARG B 38 -20.309 9.178 18.992 1.00 0.00 C ATOM 1216 NE ARG B 38 -20.485 7.719 19.169 1.00 0.00 N ATOM 1217 CZ ARG B 38 -19.475 6.825 19.135 1.00 0.00 C ATOM 1218 NH1 ARG B 38 -18.204 7.234 18.931 1.00 0.00 N ATOM 1219 NH2 ARG B 38 -19.748 5.544 19.304 1.00 0.00 N ATOM 0 H ARG B 38 -15.875 10.045 17.327 1.00 0.00 H new ATOM 0 HA ARG B 38 -18.045 8.230 16.482 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -18.089 10.135 18.443 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -18.587 11.103 17.069 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -20.659 10.191 17.121 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -19.993 8.579 16.944 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -19.529 9.542 19.661 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -21.228 9.698 19.261 1.00 0.00 H new ATOM 0 HE ARG B 38 -21.429 7.367 19.327 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -18.002 8.225 18.801 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -17.446 6.552 18.907 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -20.711 5.244 19.457 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -18.996 4.855 19.281 1.00 0.00 H new TER 1232 ARG B 38