USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 950 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 74 THR OG1 : rot 180:sc=-8.54e-05 USER MOD Set 1.2: A 79 THR OG1 : rot 102:sc= 0.0478 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0937 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 19:sc= 0.643 USER MOD Single : A 5 SER OG : rot 30:sc= 1.16 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -6.06! C(o=-6.1!,f=-6!) USER MOD Single : A 32 GLN : amide:sc= -1.05 K(o=-1,f=-2.5!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0785) USER MOD Single : A 41 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.3) USER MOD Single : A 43 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.67) USER MOD Single : A 49 GLN : amide:sc= -0.339 K(o=-0.34,f=-2.9!) USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.132) USER MOD Single : A 55 GLN : amide:sc= -2.74 K(o=-2.7,f=-3.6!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc=-0.00973 K(o=-0.0097,f=-1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -72:sc= 0.957 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.118 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 MET CE :methyl -156:sc= -1.97 (180deg=-2.78!) USER MOD Single : A 104 LYS NZ :NH3+ -154:sc= -0.402 (180deg=-1.9) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.564 -39.932 -25.667 1.00 0.00 N ATOM 2 CA GLY A 1 26.836 -38.757 -24.860 1.00 0.00 C ATOM 3 C GLY A 1 27.168 -39.105 -23.423 1.00 0.00 C ATOM 4 O GLY A 1 27.168 -40.276 -23.045 1.00 0.00 O ATOM 0 H1 GLY A 1 27.313 -40.044 -26.380 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.538 -40.774 -25.057 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.646 -39.821 -26.143 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.667 -38.204 -25.298 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.968 -38.098 -24.880 1.00 0.00 H new ATOM 8 N SER A 2 27.454 -38.085 -22.620 1.00 0.00 N ATOM 9 CA SER A 2 27.795 -38.290 -21.217 1.00 0.00 C ATOM 10 C SER A 2 27.896 -36.956 -20.482 1.00 0.00 C ATOM 11 O SER A 2 28.313 -35.949 -21.055 1.00 0.00 O ATOM 12 CB SER A 2 29.115 -39.052 -21.097 1.00 0.00 C ATOM 13 OG SER A 2 30.217 -38.217 -21.407 1.00 0.00 O ATOM 0 H SER A 2 27.456 -37.109 -22.917 1.00 0.00 H new ATOM 0 HA SER A 2 27.001 -38.879 -20.758 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.223 -39.441 -20.084 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.105 -39.910 -21.769 1.00 0.00 H new ATOM 0 HG SER A 2 31.049 -38.728 -21.321 1.00 0.00 H new ATOM 19 N SER A 3 27.511 -36.957 -19.210 1.00 0.00 N ATOM 20 CA SER A 3 27.555 -35.748 -18.397 1.00 0.00 C ATOM 21 C SER A 3 27.652 -36.093 -16.914 1.00 0.00 C ATOM 22 O SER A 3 27.079 -37.081 -16.456 1.00 0.00 O ATOM 23 CB SER A 3 26.313 -34.891 -18.653 1.00 0.00 C ATOM 24 OG SER A 3 26.421 -34.189 -19.879 1.00 0.00 O ATOM 0 H SER A 3 27.165 -37.782 -18.720 1.00 0.00 H new ATOM 0 HA SER A 3 28.443 -35.182 -18.679 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.427 -35.526 -18.671 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.181 -34.183 -17.835 1.00 0.00 H new ATOM 0 HG SER A 3 27.105 -34.612 -20.439 1.00 0.00 H new ATOM 30 N GLY A 4 28.383 -35.270 -16.168 1.00 0.00 N ATOM 31 CA GLY A 4 28.543 -35.504 -14.745 1.00 0.00 C ATOM 32 C GLY A 4 29.341 -34.411 -14.063 1.00 0.00 C ATOM 33 O GLY A 4 30.193 -33.776 -14.685 1.00 0.00 O ATOM 0 H GLY A 4 28.867 -34.446 -16.524 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.560 -35.576 -14.279 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.040 -36.462 -14.591 1.00 0.00 H new ATOM 37 N SER A 5 29.064 -34.188 -12.782 1.00 0.00 N ATOM 38 CA SER A 5 29.759 -33.160 -12.017 1.00 0.00 C ATOM 39 C SER A 5 29.556 -33.366 -10.519 1.00 0.00 C ATOM 40 O SER A 5 28.638 -34.069 -10.098 1.00 0.00 O ATOM 41 CB SER A 5 29.263 -31.770 -12.424 1.00 0.00 C ATOM 42 OG SER A 5 29.947 -31.301 -13.573 1.00 0.00 O ATOM 0 H SER A 5 28.363 -34.706 -12.252 1.00 0.00 H new ATOM 0 HA SER A 5 30.824 -33.237 -12.235 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.192 -31.807 -12.624 1.00 0.00 H new ATOM 0 HB3 SER A 5 29.410 -31.072 -11.600 1.00 0.00 H new ATOM 0 HG SER A 5 30.213 -32.063 -14.129 1.00 0.00 H new ATOM 48 N SER A 6 30.420 -32.749 -9.721 1.00 0.00 N ATOM 49 CA SER A 6 30.339 -32.867 -8.270 1.00 0.00 C ATOM 50 C SER A 6 28.888 -32.833 -7.802 1.00 0.00 C ATOM 51 O SER A 6 28.393 -33.789 -7.206 1.00 0.00 O ATOM 52 CB SER A 6 31.129 -31.741 -7.600 1.00 0.00 C ATOM 53 OG SER A 6 32.514 -32.041 -7.564 1.00 0.00 O ATOM 0 H SER A 6 31.185 -32.162 -10.054 1.00 0.00 H new ATOM 0 HA SER A 6 30.772 -33.825 -7.984 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.970 -30.809 -8.142 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.760 -31.588 -6.586 1.00 0.00 H new ATOM 0 HG SER A 6 32.997 -31.305 -7.133 1.00 0.00 H new ATOM 59 N GLY A 7 28.209 -31.723 -8.077 1.00 0.00 N ATOM 60 CA GLY A 7 26.821 -31.584 -7.678 1.00 0.00 C ATOM 61 C GLY A 7 26.571 -30.317 -6.884 1.00 0.00 C ATOM 62 O GLY A 7 26.495 -29.225 -7.449 1.00 0.00 O ATOM 0 H GLY A 7 28.596 -30.918 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 7 26.189 -31.583 -8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.530 -32.448 -7.080 1.00 0.00 H new ATOM 66 N THR A 8 26.440 -30.460 -5.569 1.00 0.00 N ATOM 67 CA THR A 8 26.193 -29.319 -4.696 1.00 0.00 C ATOM 68 C THR A 8 27.269 -28.253 -4.869 1.00 0.00 C ATOM 69 O THR A 8 28.448 -28.567 -5.038 1.00 0.00 O ATOM 70 CB THR A 8 26.141 -29.745 -3.217 1.00 0.00 C ATOM 71 OG1 THR A 8 25.873 -28.607 -2.389 1.00 0.00 O ATOM 72 CG2 THR A 8 27.451 -30.390 -2.792 1.00 0.00 C ATOM 0 H THR A 8 26.501 -31.356 -5.085 1.00 0.00 H new ATOM 0 HA THR A 8 25.226 -28.905 -4.981 1.00 0.00 H new ATOM 0 HB THR A 8 25.341 -30.476 -3.101 1.00 0.00 H new ATOM 0 HG1 THR A 8 25.840 -28.886 -1.450 1.00 0.00 H new ATOM 0 HG21 THR A 8 27.389 -30.682 -1.744 1.00 0.00 H new ATOM 0 HG22 THR A 8 27.638 -31.272 -3.404 1.00 0.00 H new ATOM 0 HG23 THR A 8 28.266 -29.678 -2.923 1.00 0.00 H new ATOM 80 N LEU A 9 26.856 -26.991 -4.824 1.00 0.00 N ATOM 81 CA LEU A 9 27.786 -25.877 -4.974 1.00 0.00 C ATOM 82 C LEU A 9 27.407 -24.723 -4.051 1.00 0.00 C ATOM 83 O LEU A 9 26.226 -24.458 -3.825 1.00 0.00 O ATOM 84 CB LEU A 9 27.806 -25.397 -6.427 1.00 0.00 C ATOM 85 CG LEU A 9 26.459 -24.977 -7.014 1.00 0.00 C ATOM 86 CD1 LEU A 9 26.189 -23.507 -6.735 1.00 0.00 C ATOM 87 CD2 LEU A 9 26.420 -25.254 -8.510 1.00 0.00 C ATOM 0 H LEU A 9 25.884 -26.714 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 9 28.781 -26.226 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 9 28.491 -24.552 -6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 9 28.217 -26.194 -7.046 1.00 0.00 H new ATOM 0 HG LEU A 9 25.677 -25.565 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 9 25.225 -23.227 -7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 9 26.173 -23.338 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 9 26.975 -22.901 -7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 9 25.454 -24.949 -8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 9 27.212 -24.692 -9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 9 26.566 -26.320 -8.687 1.00 0.00 H new ATOM 99 N ALA A 10 28.416 -24.039 -3.522 1.00 0.00 N ATOM 100 CA ALA A 10 28.189 -22.911 -2.627 1.00 0.00 C ATOM 101 C ALA A 10 29.487 -22.162 -2.347 1.00 0.00 C ATOM 102 O ALA A 10 30.576 -22.673 -2.605 1.00 0.00 O ATOM 103 CB ALA A 10 27.561 -23.388 -1.326 1.00 0.00 C ATOM 0 H ALA A 10 29.399 -24.246 -3.698 1.00 0.00 H new ATOM 0 HA ALA A 10 27.502 -22.222 -3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 10 27.397 -22.535 -0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 10 26.607 -23.871 -1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 10 28.228 -24.100 -0.839 1.00 0.00 H new ATOM 109 N GLN A 11 29.363 -20.949 -1.818 1.00 0.00 N ATOM 110 CA GLN A 11 30.528 -20.130 -1.505 1.00 0.00 C ATOM 111 C GLN A 11 30.171 -19.038 -0.502 1.00 0.00 C ATOM 112 O GLN A 11 29.133 -18.383 -0.602 1.00 0.00 O ATOM 113 CB GLN A 11 31.094 -19.503 -2.780 1.00 0.00 C ATOM 114 CG GLN A 11 30.058 -18.751 -3.600 1.00 0.00 C ATOM 115 CD GLN A 11 30.615 -18.237 -4.913 1.00 0.00 C ATOM 116 OE1 GLN A 11 31.328 -18.950 -5.620 1.00 0.00 O ATOM 117 NE2 GLN A 11 30.290 -16.994 -5.248 1.00 0.00 N ATOM 0 H GLN A 11 28.468 -20.512 -1.597 1.00 0.00 H new ATOM 0 HA GLN A 11 31.285 -20.775 -1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 11 31.899 -18.819 -2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 11 31.534 -20.287 -3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 11 29.212 -19.408 -3.801 1.00 0.00 H new ATOM 0 HG3 GLN A 11 29.678 -17.912 -3.017 1.00 0.00 H new ATOM 0 HE21 GLN A 11 29.696 -16.438 -4.632 1.00 0.00 H new ATOM 0 HE22 GLN A 11 30.634 -16.595 -6.121 1.00 0.00 H new ATOM 126 N PRO A 12 31.051 -18.836 0.491 1.00 0.00 N ATOM 127 CA PRO A 12 30.850 -17.823 1.532 1.00 0.00 C ATOM 128 C PRO A 12 30.983 -16.403 0.992 1.00 0.00 C ATOM 129 O PRO A 12 31.919 -16.093 0.255 1.00 0.00 O ATOM 130 CB PRO A 12 31.967 -18.120 2.535 1.00 0.00 C ATOM 131 CG PRO A 12 33.027 -18.793 1.734 1.00 0.00 C ATOM 132 CD PRO A 12 32.309 -19.579 0.673 1.00 0.00 C ATOM 0 HA PRO A 12 29.849 -17.872 1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 12 32.340 -17.205 2.995 1.00 0.00 H new ATOM 0 HB3 PRO A 12 31.614 -18.761 3.342 1.00 0.00 H new ATOM 0 HG2 PRO A 12 33.702 -18.062 1.288 1.00 0.00 H new ATOM 0 HG3 PRO A 12 33.633 -19.447 2.361 1.00 0.00 H new ATOM 0 HD2 PRO A 12 32.885 -19.626 -0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 12 32.127 -20.606 0.988 1.00 0.00 H new ATOM 140 N VAL A 13 30.040 -15.543 1.364 1.00 0.00 N ATOM 141 CA VAL A 13 30.053 -14.154 0.919 1.00 0.00 C ATOM 142 C VAL A 13 30.348 -13.208 2.078 1.00 0.00 C ATOM 143 O VAL A 13 29.691 -13.259 3.118 1.00 0.00 O ATOM 144 CB VAL A 13 28.711 -13.759 0.276 1.00 0.00 C ATOM 145 CG1 VAL A 13 28.725 -12.294 -0.133 1.00 0.00 C ATOM 146 CG2 VAL A 13 28.409 -14.651 -0.918 1.00 0.00 C ATOM 0 H VAL A 13 29.257 -15.784 1.972 1.00 0.00 H new ATOM 0 HA VAL A 13 30.844 -14.067 0.174 1.00 0.00 H new ATOM 0 HB VAL A 13 27.920 -13.898 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 13 27.768 -12.033 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 13 28.892 -11.672 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 13 29.525 -12.125 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 13 27.457 -14.357 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 13 29.201 -14.547 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 13 28.353 -15.689 -0.591 1.00 0.00 H new ATOM 156 N THR A 14 31.341 -12.344 1.891 1.00 0.00 N ATOM 157 CA THR A 14 31.723 -11.386 2.921 1.00 0.00 C ATOM 158 C THR A 14 31.347 -9.965 2.517 1.00 0.00 C ATOM 159 O THR A 14 31.955 -9.383 1.619 1.00 0.00 O ATOM 160 CB THR A 14 33.236 -11.442 3.206 1.00 0.00 C ATOM 161 OG1 THR A 14 33.640 -12.795 3.444 1.00 0.00 O ATOM 162 CG2 THR A 14 33.592 -10.583 4.409 1.00 0.00 C ATOM 0 H THR A 14 31.895 -12.288 1.036 1.00 0.00 H new ATOM 0 HA THR A 14 31.179 -11.660 3.825 1.00 0.00 H new ATOM 0 HB THR A 14 33.762 -11.054 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 14 34.603 -12.822 3.623 1.00 0.00 H new ATOM 0 HG21 THR A 14 34.665 -10.638 4.591 1.00 0.00 H new ATOM 0 HG22 THR A 14 33.310 -9.548 4.214 1.00 0.00 H new ATOM 0 HG23 THR A 14 33.056 -10.946 5.286 1.00 0.00 H new ATOM 170 N ILE A 15 30.340 -9.412 3.186 1.00 0.00 N ATOM 171 CA ILE A 15 29.884 -8.058 2.897 1.00 0.00 C ATOM 172 C ILE A 15 30.003 -7.165 4.127 1.00 0.00 C ATOM 173 O ILE A 15 29.693 -7.582 5.243 1.00 0.00 O ATOM 174 CB ILE A 15 28.424 -8.049 2.408 1.00 0.00 C ATOM 175 CG1 ILE A 15 28.282 -8.897 1.143 1.00 0.00 C ATOM 176 CG2 ILE A 15 27.961 -6.622 2.150 1.00 0.00 C ATOM 177 CD1 ILE A 15 29.144 -8.421 -0.005 1.00 0.00 C ATOM 0 H ILE A 15 29.825 -9.881 3.931 1.00 0.00 H new ATOM 0 HA ILE A 15 30.525 -7.670 2.106 1.00 0.00 H new ATOM 0 HB ILE A 15 27.793 -8.481 3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 15 28.541 -9.930 1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 15 27.238 -8.893 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 15 26.927 -6.632 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 15 28.030 -6.045 3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 15 28.594 -6.166 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 15 28.991 -9.069 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 15 28.870 -7.399 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 15 30.193 -8.451 0.291 1.00 0.00 H new ATOM 189 N ARG A 16 30.451 -5.932 3.914 1.00 0.00 N ATOM 190 CA ARG A 16 30.610 -4.978 5.006 1.00 0.00 C ATOM 191 C ARG A 16 29.354 -4.927 5.870 1.00 0.00 C ATOM 192 O ARG A 16 28.274 -5.326 5.436 1.00 0.00 O ATOM 193 CB ARG A 16 30.918 -3.585 4.453 1.00 0.00 C ATOM 194 CG ARG A 16 29.841 -3.046 3.526 1.00 0.00 C ATOM 195 CD ARG A 16 29.770 -1.527 3.578 1.00 0.00 C ATOM 196 NE ARG A 16 29.310 -0.958 2.314 1.00 0.00 N ATOM 197 CZ ARG A 16 30.081 -0.832 1.240 1.00 0.00 C ATOM 198 NH1 ARG A 16 31.344 -1.234 1.276 1.00 0.00 N ATOM 199 NH2 ARG A 16 29.590 -0.303 0.127 1.00 0.00 N ATOM 0 H ARG A 16 30.710 -5.570 2.996 1.00 0.00 H new ATOM 0 HA ARG A 16 31.444 -5.308 5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 16 31.048 -2.894 5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 16 31.865 -3.618 3.915 1.00 0.00 H new ATOM 0 HG2 ARG A 16 30.045 -3.367 2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 16 28.875 -3.466 3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 16 29.097 -1.223 4.379 1.00 0.00 H new ATOM 0 HD3 ARG A 16 30.754 -1.126 3.819 1.00 0.00 H new ATOM 0 HE ARG A 16 28.343 -0.640 2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 16 31.725 -1.641 2.130 1.00 0.00 H new ATOM 0 HH12 ARG A 16 31.934 -1.136 0.450 1.00 0.00 H new ATOM 0 HH21 ARG A 16 28.619 0.008 0.095 1.00 0.00 H new ATOM 0 HH22 ARG A 16 30.183 -0.207 -0.697 1.00 0.00 H new ATOM 213 N GLU A 17 29.505 -4.436 7.096 1.00 0.00 N ATOM 214 CA GLU A 17 28.382 -4.335 8.022 1.00 0.00 C ATOM 215 C GLU A 17 27.440 -3.206 7.613 1.00 0.00 C ATOM 216 O GLU A 17 27.878 -2.165 7.124 1.00 0.00 O ATOM 217 CB GLU A 17 28.887 -4.102 9.447 1.00 0.00 C ATOM 218 CG GLU A 17 27.775 -3.890 10.460 1.00 0.00 C ATOM 219 CD GLU A 17 27.129 -5.191 10.897 1.00 0.00 C ATOM 220 OE1 GLU A 17 27.860 -6.189 11.064 1.00 0.00 O ATOM 221 OE2 GLU A 17 25.893 -5.210 11.072 1.00 0.00 O ATOM 0 H GLU A 17 30.393 -4.102 7.471 1.00 0.00 H new ATOM 0 HA GLU A 17 27.831 -5.275 7.989 1.00 0.00 H new ATOM 0 HB2 GLU A 17 29.489 -4.957 9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 17 29.543 -3.232 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 17 28.177 -3.377 11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 17 27.015 -3.238 10.029 1.00 0.00 H new ATOM 228 N ILE A 18 26.145 -3.422 7.817 1.00 0.00 N ATOM 229 CA ILE A 18 25.141 -2.424 7.471 1.00 0.00 C ATOM 230 C ILE A 18 25.515 -1.053 8.024 1.00 0.00 C ATOM 231 O ILE A 18 26.330 -0.943 8.940 1.00 0.00 O ATOM 232 CB ILE A 18 23.750 -2.817 8.002 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.315 -4.159 7.411 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.733 -1.733 7.676 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.071 -4.730 8.057 1.00 0.00 C ATOM 0 H ILE A 18 25.767 -4.279 8.220 1.00 0.00 H new ATOM 0 HA ILE A 18 25.105 -2.377 6.383 1.00 0.00 H new ATOM 0 HB ILE A 18 23.807 -2.920 9.086 1.00 0.00 H new ATOM 0 HG12 ILE A 18 23.136 -4.035 6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.130 -4.875 7.517 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.755 -2.025 8.058 1.00 0.00 H new ATOM 0 HG22 ILE A 18 23.039 -0.796 8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.676 -1.601 6.596 1.00 0.00 H new ATOM 0 HD11 ILE A 18 21.822 -5.682 7.588 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.252 -4.886 9.120 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.242 -4.034 7.929 1.00 0.00 H new ATOM 247 N ALA A 19 24.913 -0.010 7.462 1.00 0.00 N ATOM 248 CA ALA A 19 25.180 1.354 7.902 1.00 0.00 C ATOM 249 C ALA A 19 24.028 1.896 8.740 1.00 0.00 C ATOM 250 O ALA A 19 24.243 2.618 9.714 1.00 0.00 O ATOM 251 CB ALA A 19 25.432 2.255 6.702 1.00 0.00 C ATOM 0 H ALA A 19 24.237 -0.083 6.701 1.00 0.00 H new ATOM 0 HA ALA A 19 26.073 1.340 8.526 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.630 3.271 7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.293 1.886 6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.554 2.255 6.056 1.00 0.00 H new ATOM 257 N GLU A 20 22.805 1.544 8.355 1.00 0.00 N ATOM 258 CA GLU A 20 21.619 1.998 9.072 1.00 0.00 C ATOM 259 C GLU A 20 20.472 1.004 8.911 1.00 0.00 C ATOM 260 O GLU A 20 20.184 0.523 7.815 1.00 0.00 O ATOM 261 CB GLU A 20 21.188 3.377 8.568 1.00 0.00 C ATOM 262 CG GLU A 20 20.316 4.139 9.552 1.00 0.00 C ATOM 263 CD GLU A 20 21.071 4.560 10.797 1.00 0.00 C ATOM 264 OE1 GLU A 20 22.227 5.015 10.664 1.00 0.00 O ATOM 265 OE2 GLU A 20 20.509 4.433 11.905 1.00 0.00 O ATOM 0 H GLU A 20 22.610 0.947 7.552 1.00 0.00 H new ATOM 0 HA GLU A 20 21.870 2.068 10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.077 3.969 8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.645 3.259 7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.910 5.024 9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.469 3.516 9.839 1.00 0.00 H new ATOM 272 N PRO A 21 19.802 0.687 10.029 1.00 0.00 N ATOM 273 CA PRO A 21 18.677 -0.252 10.038 1.00 0.00 C ATOM 274 C PRO A 21 17.444 0.314 9.342 1.00 0.00 C ATOM 275 O PRO A 21 17.187 1.518 9.364 1.00 0.00 O ATOM 276 CB PRO A 21 18.401 -0.460 11.530 1.00 0.00 C ATOM 277 CG PRO A 21 18.909 0.778 12.185 1.00 0.00 C ATOM 278 CD PRO A 21 20.092 1.223 11.370 1.00 0.00 C ATOM 0 HA PRO A 21 18.909 -1.172 9.501 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.337 -0.600 11.720 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.912 -1.346 11.907 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.140 1.550 12.210 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.198 0.583 13.218 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.186 2.309 11.357 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.026 0.827 11.768 1.00 0.00 H new ATOM 286 N PRO A 22 16.661 -0.573 8.710 1.00 0.00 N ATOM 287 CA PRO A 22 15.441 -0.184 7.996 1.00 0.00 C ATOM 288 C PRO A 22 14.334 0.265 8.943 1.00 0.00 C ATOM 289 O PRO A 22 14.094 -0.361 9.976 1.00 0.00 O ATOM 290 CB PRO A 22 15.033 -1.466 7.266 1.00 0.00 C ATOM 291 CG PRO A 22 15.625 -2.568 8.077 1.00 0.00 C ATOM 292 CD PRO A 22 16.907 -2.023 8.643 1.00 0.00 C ATOM 0 HA PRO A 22 15.610 0.665 7.333 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.949 -1.558 7.204 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.413 -1.478 6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.946 -2.875 8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.813 -3.448 7.462 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.121 -2.440 9.627 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.759 -2.257 8.005 1.00 0.00 H new ATOM 300 N LYS A 23 13.660 1.353 8.586 1.00 0.00 N ATOM 301 CA LYS A 23 12.577 1.886 9.402 1.00 0.00 C ATOM 302 C LYS A 23 11.450 2.426 8.527 1.00 0.00 C ATOM 303 O LYS A 23 11.574 3.497 7.931 1.00 0.00 O ATOM 304 CB LYS A 23 13.099 2.993 10.320 1.00 0.00 C ATOM 305 CG LYS A 23 12.340 3.105 11.632 1.00 0.00 C ATOM 306 CD LYS A 23 12.845 2.102 12.655 1.00 0.00 C ATOM 307 CE LYS A 23 14.172 2.540 13.256 1.00 0.00 C ATOM 308 NZ LYS A 23 13.982 3.478 14.397 1.00 0.00 N ATOM 0 H LYS A 23 13.846 1.883 7.735 1.00 0.00 H new ATOM 0 HA LYS A 23 12.182 1.073 10.011 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.152 2.810 10.534 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.042 3.946 9.794 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.444 4.115 12.029 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.277 2.941 11.454 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.106 1.986 13.448 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.962 1.127 12.183 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.724 1.663 13.595 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.777 3.021 12.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.910 3.753 14.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.478 4.326 14.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.426 3.011 15.141 1.00 0.00 H new ATOM 322 N ILE A 24 10.353 1.680 8.455 1.00 0.00 N ATOM 323 CA ILE A 24 9.205 2.087 7.654 1.00 0.00 C ATOM 324 C ILE A 24 8.306 3.045 8.429 1.00 0.00 C ATOM 325 O ILE A 24 7.469 2.620 9.225 1.00 0.00 O ATOM 326 CB ILE A 24 8.374 0.871 7.205 1.00 0.00 C ATOM 327 CG1 ILE A 24 9.188 -0.008 6.253 1.00 0.00 C ATOM 328 CG2 ILE A 24 7.084 1.328 6.540 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.388 -1.134 5.637 1.00 0.00 C ATOM 0 H ILE A 24 10.235 0.791 8.941 1.00 0.00 H new ATOM 0 HA ILE A 24 9.598 2.594 6.773 1.00 0.00 H new ATOM 0 HB ILE A 24 8.118 0.280 8.084 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.597 0.614 5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.035 -0.429 6.795 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.507 0.457 6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.499 1.917 7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.320 1.938 5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.029 -1.715 4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.001 -1.779 6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.556 -0.720 5.067 1.00 0.00 H new ATOM 341 N ARG A 25 8.485 4.339 8.189 1.00 0.00 N ATOM 342 CA ARG A 25 7.690 5.359 8.863 1.00 0.00 C ATOM 343 C ARG A 25 6.338 5.536 8.177 1.00 0.00 C ATOM 344 O ARG A 25 6.270 5.814 6.979 1.00 0.00 O ATOM 345 CB ARG A 25 8.441 6.691 8.885 1.00 0.00 C ATOM 346 CG ARG A 25 9.833 6.595 9.489 1.00 0.00 C ATOM 347 CD ARG A 25 9.776 6.471 11.003 1.00 0.00 C ATOM 348 NE ARG A 25 9.416 7.734 11.643 1.00 0.00 N ATOM 349 CZ ARG A 25 8.166 8.086 11.923 1.00 0.00 C ATOM 350 NH1 ARG A 25 7.162 7.274 11.622 1.00 0.00 N ATOM 351 NH2 ARG A 25 7.919 9.252 12.506 1.00 0.00 N ATOM 0 H ARG A 25 9.174 4.707 7.533 1.00 0.00 H new ATOM 0 HA ARG A 25 7.518 5.031 9.888 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.521 7.070 7.866 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.858 7.418 9.450 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.353 5.733 9.072 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.411 7.478 9.217 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.050 5.706 11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.745 6.139 11.376 1.00 0.00 H new ATOM 0 HE ARG A 25 10.165 8.381 11.888 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.348 6.377 11.174 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.203 7.547 11.838 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.689 9.879 12.739 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.959 9.522 12.721 1.00 0.00 H new ATOM 365 N LEU A 26 5.266 5.373 8.943 1.00 0.00 N ATOM 366 CA LEU A 26 3.915 5.514 8.409 1.00 0.00 C ATOM 367 C LEU A 26 3.253 6.784 8.935 1.00 0.00 C ATOM 368 O LEU A 26 3.256 7.065 10.134 1.00 0.00 O ATOM 369 CB LEU A 26 3.070 4.294 8.777 1.00 0.00 C ATOM 370 CG LEU A 26 3.142 3.111 7.811 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.513 1.874 8.433 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.460 3.455 6.495 1.00 0.00 C ATOM 0 H LEU A 26 5.305 5.143 9.936 1.00 0.00 H new ATOM 0 HA LEU A 26 3.984 5.585 7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.376 3.950 9.765 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.030 4.609 8.857 1.00 0.00 H new ATOM 0 HG LEU A 26 4.191 2.896 7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.574 1.043 7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.046 1.616 9.348 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.468 2.076 8.667 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.521 2.602 5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.414 3.697 6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.956 4.313 6.041 1.00 0.00 H new ATOM 384 N PRO A 27 2.668 7.569 8.018 1.00 0.00 N ATOM 385 CA PRO A 27 1.987 8.820 8.366 1.00 0.00 C ATOM 386 C PRO A 27 0.690 8.581 9.131 1.00 0.00 C ATOM 387 O PRO A 27 0.328 7.439 9.416 1.00 0.00 O ATOM 388 CB PRO A 27 1.695 9.455 7.004 1.00 0.00 C ATOM 389 CG PRO A 27 1.641 8.309 6.055 1.00 0.00 C ATOM 390 CD PRO A 27 2.625 7.296 6.572 1.00 0.00 C ATOM 0 HA PRO A 27 2.593 9.445 9.022 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.753 10.003 7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.473 10.165 6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.637 7.888 6.008 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.902 8.626 5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.299 6.277 6.365 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.605 7.416 6.111 1.00 0.00 H new ATOM 398 N ARG A 28 -0.005 9.665 9.462 1.00 0.00 N ATOM 399 CA ARG A 28 -1.261 9.572 10.195 1.00 0.00 C ATOM 400 C ARG A 28 -2.422 9.279 9.250 1.00 0.00 C ATOM 401 O ARG A 28 -3.265 8.425 9.530 1.00 0.00 O ATOM 402 CB ARG A 28 -1.527 10.870 10.960 1.00 0.00 C ATOM 403 CG ARG A 28 -2.868 10.892 11.675 1.00 0.00 C ATOM 404 CD ARG A 28 -3.131 12.242 12.325 1.00 0.00 C ATOM 405 NE ARG A 28 -3.824 13.158 11.423 1.00 0.00 N ATOM 406 CZ ARG A 28 -3.852 14.475 11.592 1.00 0.00 C ATOM 407 NH1 ARG A 28 -3.229 15.027 12.624 1.00 0.00 N ATOM 408 NH2 ARG A 28 -4.504 15.242 10.728 1.00 0.00 N ATOM 0 H ARG A 28 0.281 10.617 9.234 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.178 8.750 10.906 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.733 11.020 11.691 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.482 11.708 10.264 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.664 10.668 10.965 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.889 10.111 12.435 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.727 12.100 13.226 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.185 12.685 12.635 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.313 12.765 10.619 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.727 14.440 13.290 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.252 16.039 12.752 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.984 14.820 9.933 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.525 16.253 10.859 1.00 0.00 H new ATOM 422 N HIS A 29 -2.461 9.993 8.129 1.00 0.00 N ATOM 423 CA HIS A 29 -3.519 9.809 7.142 1.00 0.00 C ATOM 424 C HIS A 29 -3.617 8.347 6.717 1.00 0.00 C ATOM 425 O HIS A 29 -4.631 7.917 6.164 1.00 0.00 O ATOM 426 CB HIS A 29 -3.264 10.692 5.920 1.00 0.00 C ATOM 427 CG HIS A 29 -1.902 10.510 5.324 1.00 0.00 C ATOM 428 ND1 HIS A 29 -0.833 11.327 5.626 1.00 0.00 N ATOM 429 CD2 HIS A 29 -1.437 9.597 4.440 1.00 0.00 C ATOM 430 CE1 HIS A 29 0.230 10.926 4.952 1.00 0.00 C ATOM 431 NE2 HIS A 29 -0.110 9.877 4.225 1.00 0.00 N ATOM 0 H HIS A 29 -1.773 10.704 7.882 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.464 10.100 7.600 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.016 10.474 5.161 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.391 11.737 6.204 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -2.004 8.797 3.988 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.210 11.379 4.989 1.00 0.00 H new ATOM 0 HE2 HIS A 29 0.512 9.359 3.605 1.00 0.00 H new ATOM 440 N LEU A 30 -2.559 7.588 6.976 1.00 0.00 N ATOM 441 CA LEU A 30 -2.525 6.174 6.620 1.00 0.00 C ATOM 442 C LEU A 30 -2.991 5.307 7.786 1.00 0.00 C ATOM 443 O LEU A 30 -3.782 4.382 7.607 1.00 0.00 O ATOM 444 CB LEU A 30 -1.112 5.767 6.200 1.00 0.00 C ATOM 445 CG LEU A 30 -0.776 5.941 4.718 1.00 0.00 C ATOM 446 CD1 LEU A 30 0.655 5.507 4.441 1.00 0.00 C ATOM 447 CD2 LEU A 30 -1.751 5.154 3.854 1.00 0.00 C ATOM 0 H LEU A 30 -1.712 7.928 7.432 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.205 6.020 5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.399 6.349 6.784 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.963 4.720 6.465 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.869 6.997 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.876 5.638 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.340 6.114 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.775 4.458 4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.497 5.290 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.690 4.096 4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.765 5.512 4.031 1.00 0.00 H new ATOM 459 N ARG A 31 -2.495 5.615 8.980 1.00 0.00 N ATOM 460 CA ARG A 31 -2.861 4.865 10.175 1.00 0.00 C ATOM 461 C ARG A 31 -4.313 4.402 10.103 1.00 0.00 C ATOM 462 O ARG A 31 -4.636 3.279 10.490 1.00 0.00 O ATOM 463 CB ARG A 31 -2.649 5.722 11.425 1.00 0.00 C ATOM 464 CG ARG A 31 -1.186 5.960 11.760 1.00 0.00 C ATOM 465 CD ARG A 31 -0.996 6.277 13.235 1.00 0.00 C ATOM 466 NE ARG A 31 -1.576 7.568 13.596 1.00 0.00 N ATOM 467 CZ ARG A 31 -1.965 7.879 14.827 1.00 0.00 C ATOM 468 NH1 ARG A 31 -1.838 6.998 15.810 1.00 0.00 N ATOM 469 NH2 ARG A 31 -2.484 9.075 15.078 1.00 0.00 N ATOM 0 H ARG A 31 -1.839 6.378 9.145 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.220 3.985 10.232 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.142 6.684 11.283 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.133 5.238 12.273 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.604 5.076 11.499 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.803 6.784 11.158 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.455 5.492 13.837 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.068 6.279 13.471 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.688 8.268 12.863 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.440 6.078 15.622 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.138 7.241 16.754 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.584 9.756 14.325 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.783 9.313 16.024 1.00 0.00 H new ATOM 483 N GLN A 32 -5.184 5.275 9.606 1.00 0.00 N ATOM 484 CA GLN A 32 -6.601 4.955 9.485 1.00 0.00 C ATOM 485 C GLN A 32 -6.941 4.518 8.064 1.00 0.00 C ATOM 486 O GLN A 32 -6.143 4.690 7.142 1.00 0.00 O ATOM 487 CB GLN A 32 -7.453 6.163 9.877 1.00 0.00 C ATOM 488 CG GLN A 32 -7.287 7.353 8.946 1.00 0.00 C ATOM 489 CD GLN A 32 -8.257 7.323 7.781 1.00 0.00 C ATOM 490 OE1 GLN A 32 -9.379 6.829 7.905 1.00 0.00 O ATOM 491 NE2 GLN A 32 -7.830 7.853 6.641 1.00 0.00 N ATOM 0 H GLN A 32 -4.933 6.209 9.281 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.820 4.129 10.162 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.502 5.868 9.892 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.193 6.467 10.891 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.432 8.274 9.511 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.266 7.371 8.564 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.893 8.251 6.583 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.439 7.862 5.823 1.00 0.00 H new ATOM 500 N THR A 33 -8.131 3.951 7.893 1.00 0.00 N ATOM 501 CA THR A 33 -8.576 3.487 6.585 1.00 0.00 C ATOM 502 C THR A 33 -8.630 4.636 5.584 1.00 0.00 C ATOM 503 O THR A 33 -9.540 5.464 5.622 1.00 0.00 O ATOM 504 CB THR A 33 -9.966 2.827 6.666 1.00 0.00 C ATOM 505 OG1 THR A 33 -9.957 1.786 7.650 1.00 0.00 O ATOM 506 CG2 THR A 33 -10.371 2.252 5.317 1.00 0.00 C ATOM 0 H THR A 33 -8.804 3.802 8.645 1.00 0.00 H new ATOM 0 HA THR A 33 -7.850 2.748 6.248 1.00 0.00 H new ATOM 0 HB THR A 33 -10.690 3.590 6.951 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.844 1.372 7.697 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.355 1.791 5.399 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.404 3.051 4.576 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.644 1.501 5.008 1.00 0.00 H new ATOM 514 N TYR A 34 -7.650 4.679 4.688 1.00 0.00 N ATOM 515 CA TYR A 34 -7.585 5.727 3.677 1.00 0.00 C ATOM 516 C TYR A 34 -8.899 5.825 2.908 1.00 0.00 C ATOM 517 O TYR A 34 -9.294 4.891 2.210 1.00 0.00 O ATOM 518 CB TYR A 34 -6.433 5.458 2.707 1.00 0.00 C ATOM 519 CG TYR A 34 -5.827 6.715 2.124 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.368 7.736 2.947 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.714 6.882 0.749 1.00 0.00 C ATOM 522 CE1 TYR A 34 -4.815 8.886 2.419 1.00 0.00 C ATOM 523 CE2 TYR A 34 -5.160 8.028 0.212 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.712 9.027 1.051 1.00 0.00 C ATOM 525 OH TYR A 34 -4.161 10.170 0.520 1.00 0.00 O ATOM 0 H TYR A 34 -6.890 4.000 4.642 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.410 6.676 4.185 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.656 4.897 3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.793 4.827 1.894 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.445 7.628 4.019 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.065 6.103 0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.465 9.670 3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.078 8.141 -0.859 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.162 10.110 -0.458 1.00 0.00 H new ATOM 535 N ILE A 35 -9.572 6.963 3.043 1.00 0.00 N ATOM 536 CA ILE A 35 -10.840 7.185 2.360 1.00 0.00 C ATOM 537 C ILE A 35 -10.644 7.998 1.085 1.00 0.00 C ATOM 538 O ILE A 35 -10.076 9.090 1.114 1.00 0.00 O ATOM 539 CB ILE A 35 -11.849 7.913 3.269 1.00 0.00 C ATOM 540 CG1 ILE A 35 -12.042 7.139 4.575 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.178 8.090 2.550 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.628 5.759 4.379 1.00 0.00 C ATOM 0 H ILE A 35 -9.260 7.745 3.619 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.236 6.202 2.104 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.454 8.900 3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.080 7.048 5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.695 7.712 5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.880 8.606 3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.027 8.678 1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.581 7.113 2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.737 5.269 5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.605 5.843 3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.965 5.169 3.746 1.00 0.00 H new ATOM 554 N ARG A 36 -11.119 7.460 -0.033 1.00 0.00 N ATOM 555 CA ARG A 36 -10.996 8.135 -1.319 1.00 0.00 C ATOM 556 C ARG A 36 -12.206 7.846 -2.202 1.00 0.00 C ATOM 557 O ARG A 36 -12.869 6.819 -2.051 1.00 0.00 O ATOM 558 CB ARG A 36 -9.715 7.695 -2.030 1.00 0.00 C ATOM 559 CG ARG A 36 -8.508 8.558 -1.700 1.00 0.00 C ATOM 560 CD ARG A 36 -8.376 9.724 -2.667 1.00 0.00 C ATOM 561 NE ARG A 36 -9.122 10.896 -2.215 1.00 0.00 N ATOM 562 CZ ARG A 36 -8.686 11.727 -1.275 1.00 0.00 C ATOM 563 NH1 ARG A 36 -7.515 11.517 -0.691 1.00 0.00 N ATOM 564 NH2 ARG A 36 -9.422 12.772 -0.919 1.00 0.00 N ATOM 0 H ARG A 36 -11.593 6.558 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.950 9.208 -1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.497 6.662 -1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.882 7.715 -3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.598 8.937 -0.682 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.604 7.950 -1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.324 9.985 -2.779 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.736 9.422 -3.651 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.027 11.087 -2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.946 10.715 -0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.183 12.157 0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.323 12.938 -1.367 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.087 13.410 -0.197 1.00 0.00 H new ATOM 578 N LYS A 37 -12.490 8.759 -3.125 1.00 0.00 N ATOM 579 CA LYS A 37 -13.619 8.604 -4.035 1.00 0.00 C ATOM 580 C LYS A 37 -13.187 7.917 -5.326 1.00 0.00 C ATOM 581 O LYS A 37 -12.004 7.900 -5.667 1.00 0.00 O ATOM 582 CB LYS A 37 -14.237 9.968 -4.352 1.00 0.00 C ATOM 583 CG LYS A 37 -15.146 10.493 -3.255 1.00 0.00 C ATOM 584 CD LYS A 37 -16.251 11.371 -3.819 1.00 0.00 C ATOM 585 CE LYS A 37 -15.733 12.753 -4.186 1.00 0.00 C ATOM 586 NZ LYS A 37 -15.471 13.586 -2.980 1.00 0.00 N ATOM 0 H LYS A 37 -11.953 9.615 -3.263 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.366 7.979 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.438 10.688 -4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.806 9.893 -5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.586 9.655 -2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.558 11.063 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.680 10.896 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.052 11.465 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.815 12.655 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.460 13.256 -4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.317 14.574 -3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.288 13.535 -2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.624 13.232 -2.491 1.00 0.00 H new ATOM 600 N VAL A 38 -14.154 7.352 -6.043 1.00 0.00 N ATOM 601 CA VAL A 38 -13.874 6.666 -7.298 1.00 0.00 C ATOM 602 C VAL A 38 -13.422 7.649 -8.373 1.00 0.00 C ATOM 603 O VAL A 38 -13.913 8.775 -8.445 1.00 0.00 O ATOM 604 CB VAL A 38 -15.109 5.899 -7.806 1.00 0.00 C ATOM 605 CG1 VAL A 38 -14.794 5.184 -9.112 1.00 0.00 C ATOM 606 CG2 VAL A 38 -15.595 4.914 -6.753 1.00 0.00 C ATOM 0 H VAL A 38 -15.138 7.356 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.071 5.956 -7.098 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.908 6.616 -7.996 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.678 4.648 -9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.498 5.915 -9.865 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.980 4.477 -8.953 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.468 4.381 -7.129 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.802 4.200 -6.529 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.863 5.455 -5.845 1.00 0.00 H new ATOM 616 N GLY A 39 -12.483 7.214 -9.207 1.00 0.00 N ATOM 617 CA GLY A 39 -11.981 8.068 -10.268 1.00 0.00 C ATOM 618 C GLY A 39 -10.915 9.030 -9.782 1.00 0.00 C ATOM 619 O GLY A 39 -9.958 9.320 -10.500 1.00 0.00 O ATOM 0 H GLY A 39 -12.061 6.286 -9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.571 7.448 -11.065 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.808 8.634 -10.697 1.00 0.00 H new ATOM 623 N GLU A 40 -11.080 9.526 -8.560 1.00 0.00 N ATOM 624 CA GLU A 40 -10.125 10.463 -7.981 1.00 0.00 C ATOM 625 C GLU A 40 -8.729 9.850 -7.921 1.00 0.00 C ATOM 626 O GLU A 40 -8.575 8.659 -7.652 1.00 0.00 O ATOM 627 CB GLU A 40 -10.571 10.879 -6.577 1.00 0.00 C ATOM 628 CG GLU A 40 -11.496 12.085 -6.565 1.00 0.00 C ATOM 629 CD GLU A 40 -10.742 13.399 -6.541 1.00 0.00 C ATOM 630 OE1 GLU A 40 -10.062 13.675 -5.530 1.00 0.00 O ATOM 631 OE2 GLU A 40 -10.831 14.153 -7.533 1.00 0.00 O ATOM 0 H GLU A 40 -11.866 9.295 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.089 11.345 -8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.077 10.039 -6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.689 11.102 -5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.137 12.055 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.148 12.029 -5.694 1.00 0.00 H new ATOM 638 N GLN A 41 -7.716 10.672 -8.175 1.00 0.00 N ATOM 639 CA GLN A 41 -6.333 10.210 -8.151 1.00 0.00 C ATOM 640 C GLN A 41 -5.903 9.852 -6.733 1.00 0.00 C ATOM 641 O GLN A 41 -6.491 10.320 -5.757 1.00 0.00 O ATOM 642 CB GLN A 41 -5.405 11.284 -8.723 1.00 0.00 C ATOM 643 CG GLN A 41 -5.373 11.315 -10.242 1.00 0.00 C ATOM 644 CD GLN A 41 -6.508 12.127 -10.833 1.00 0.00 C ATOM 645 OE1 GLN A 41 -7.663 11.700 -10.824 1.00 0.00 O ATOM 646 NE2 GLN A 41 -6.185 13.307 -11.351 1.00 0.00 N ATOM 0 H GLN A 41 -7.827 11.661 -8.400 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.265 9.314 -8.768 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.722 12.260 -8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.395 11.115 -8.350 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.422 11.732 -10.573 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.424 10.295 -10.624 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.215 13.622 -11.337 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.907 13.898 -11.762 1.00 0.00 H new ATOM 655 N LEU A 42 -4.874 9.018 -6.625 1.00 0.00 N ATOM 656 CA LEU A 42 -4.364 8.596 -5.325 1.00 0.00 C ATOM 657 C LEU A 42 -2.911 9.024 -5.145 1.00 0.00 C ATOM 658 O LEU A 42 -2.122 8.987 -6.087 1.00 0.00 O ATOM 659 CB LEU A 42 -4.484 7.079 -5.177 1.00 0.00 C ATOM 660 CG LEU A 42 -5.905 6.524 -5.071 1.00 0.00 C ATOM 661 CD1 LEU A 42 -5.902 5.012 -5.237 1.00 0.00 C ATOM 662 CD2 LEU A 42 -6.532 6.915 -3.741 1.00 0.00 C ATOM 0 H LEU A 42 -4.377 8.621 -7.422 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.963 9.078 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.996 6.611 -6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.930 6.776 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.504 6.955 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.922 4.635 -5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.494 4.754 -6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.288 4.562 -4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.543 6.512 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.933 6.512 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.570 8.001 -3.662 1.00 0.00 H new ATOM 674 N ASN A 43 -2.565 9.427 -3.927 1.00 0.00 N ATOM 675 CA ASN A 43 -1.206 9.860 -3.622 1.00 0.00 C ATOM 676 C ASN A 43 -0.813 9.460 -2.203 1.00 0.00 C ATOM 677 O ASN A 43 -1.258 10.068 -1.229 1.00 0.00 O ATOM 678 CB ASN A 43 -1.082 11.375 -3.790 1.00 0.00 C ATOM 679 CG ASN A 43 0.061 11.955 -2.978 1.00 0.00 C ATOM 680 OD1 ASN A 43 -0.133 12.414 -1.852 1.00 0.00 O ATOM 681 ND2 ASN A 43 1.260 11.937 -3.549 1.00 0.00 N ATOM 0 H ASN A 43 -3.207 9.463 -3.135 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.529 9.367 -4.320 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.931 11.610 -4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.016 11.849 -3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.067 12.314 -3.052 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.374 11.546 -4.484 1.00 0.00 H new ATOM 688 N LEU A 44 0.023 8.434 -2.094 1.00 0.00 N ATOM 689 CA LEU A 44 0.478 7.952 -0.794 1.00 0.00 C ATOM 690 C LEU A 44 2.000 7.870 -0.746 1.00 0.00 C ATOM 691 O LEU A 44 2.602 6.959 -1.314 1.00 0.00 O ATOM 692 CB LEU A 44 -0.128 6.580 -0.496 1.00 0.00 C ATOM 693 CG LEU A 44 -1.615 6.565 -0.141 1.00 0.00 C ATOM 694 CD1 LEU A 44 -2.152 5.142 -0.150 1.00 0.00 C ATOM 695 CD2 LEU A 44 -1.846 7.215 1.215 1.00 0.00 C ATOM 0 H LEU A 44 0.400 7.919 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 44 0.147 8.661 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.024 5.942 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.426 6.132 0.329 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.154 7.140 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.212 5.151 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.021 4.710 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.608 4.543 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.910 7.195 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.294 6.668 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.499 8.248 1.187 1.00 0.00 H new ATOM 707 N VAL A 45 2.618 8.828 -0.062 1.00 0.00 N ATOM 708 CA VAL A 45 4.070 8.863 0.064 1.00 0.00 C ATOM 709 C VAL A 45 4.520 8.285 1.402 1.00 0.00 C ATOM 710 O VAL A 45 4.380 8.924 2.445 1.00 0.00 O ATOM 711 CB VAL A 45 4.611 10.299 -0.070 1.00 0.00 C ATOM 712 CG1 VAL A 45 3.742 11.272 0.711 1.00 0.00 C ATOM 713 CG2 VAL A 45 6.057 10.369 0.398 1.00 0.00 C ATOM 0 H VAL A 45 2.135 9.590 0.413 1.00 0.00 H new ATOM 0 HA VAL A 45 4.472 8.254 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 45 4.579 10.584 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.140 12.281 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.723 11.241 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.739 10.992 1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.423 11.391 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.116 10.064 1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.669 9.702 -0.210 1.00 0.00 H new ATOM 723 N VAL A 46 5.061 7.072 1.364 1.00 0.00 N ATOM 724 CA VAL A 46 5.534 6.408 2.573 1.00 0.00 C ATOM 725 C VAL A 46 7.054 6.467 2.674 1.00 0.00 C ATOM 726 O VAL A 46 7.775 5.734 1.997 1.00 0.00 O ATOM 727 CB VAL A 46 5.084 4.935 2.616 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.344 4.338 3.991 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.614 4.816 2.243 1.00 0.00 C ATOM 0 H VAL A 46 5.183 6.529 0.509 1.00 0.00 H new ATOM 0 HA VAL A 46 5.096 6.939 3.418 1.00 0.00 H new ATOM 0 HB VAL A 46 5.667 4.373 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.020 3.297 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.410 4.389 4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.789 4.899 4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.313 3.769 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.012 5.391 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.462 5.203 1.236 1.00 0.00 H new ATOM 739 N PRO A 47 7.555 7.360 3.541 1.00 0.00 N ATOM 740 CA PRO A 47 8.994 7.535 3.753 1.00 0.00 C ATOM 741 C PRO A 47 9.625 6.343 4.465 1.00 0.00 C ATOM 742 O PRO A 47 8.992 5.702 5.303 1.00 0.00 O ATOM 743 CB PRO A 47 9.073 8.786 4.632 1.00 0.00 C ATOM 744 CG PRO A 47 7.763 8.835 5.339 1.00 0.00 C ATOM 745 CD PRO A 47 6.754 8.265 4.381 1.00 0.00 C ATOM 0 HA PRO A 47 9.537 7.623 2.812 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.902 8.723 5.337 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.233 9.682 4.032 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.796 8.256 6.262 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.506 9.858 5.614 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.960 7.731 4.904 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.276 9.046 3.789 1.00 0.00 H new ATOM 753 N PHE A 48 10.877 6.053 4.126 1.00 0.00 N ATOM 754 CA PHE A 48 11.594 4.937 4.733 1.00 0.00 C ATOM 755 C PHE A 48 13.060 5.292 4.960 1.00 0.00 C ATOM 756 O PHE A 48 13.671 5.994 4.154 1.00 0.00 O ATOM 757 CB PHE A 48 11.490 3.694 3.846 1.00 0.00 C ATOM 758 CG PHE A 48 12.033 3.898 2.461 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.399 3.905 2.232 1.00 0.00 C ATOM 760 CD2 PHE A 48 11.177 4.083 1.387 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.901 4.094 0.959 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.673 4.271 0.111 1.00 0.00 C ATOM 763 CZ PHE A 48 13.037 4.276 -0.104 1.00 0.00 C ATOM 0 H PHE A 48 11.416 6.575 3.435 1.00 0.00 H new ATOM 0 HA PHE A 48 11.136 4.725 5.699 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.027 2.873 4.321 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.445 3.393 3.777 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.079 3.761 3.058 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.109 4.080 1.549 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.968 4.100 0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.995 4.414 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.428 4.422 -1.100 1.00 0.00 H new ATOM 773 N GLN A 49 13.618 4.802 6.063 1.00 0.00 N ATOM 774 CA GLN A 49 15.012 5.069 6.397 1.00 0.00 C ATOM 775 C GLN A 49 15.836 3.786 6.356 1.00 0.00 C ATOM 776 O GLN A 49 15.305 2.689 6.522 1.00 0.00 O ATOM 777 CB GLN A 49 15.112 5.710 7.782 1.00 0.00 C ATOM 778 CG GLN A 49 14.454 7.077 7.869 1.00 0.00 C ATOM 779 CD GLN A 49 15.242 8.151 7.145 1.00 0.00 C ATOM 780 OE1 GLN A 49 16.202 7.859 6.432 1.00 0.00 O ATOM 781 NE2 GLN A 49 14.839 9.404 7.324 1.00 0.00 N ATOM 0 H GLN A 49 13.126 4.218 6.740 1.00 0.00 H new ATOM 0 HA GLN A 49 15.412 5.760 5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.651 5.047 8.514 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.163 5.804 8.055 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.451 7.021 7.446 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.343 7.357 8.917 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.038 9.601 7.924 1.00 0.00 H new ATOM 0 HE22 GLN A 49 15.331 10.169 6.862 1.00 0.00 H new ATOM 790 N GLY A 50 17.138 3.933 6.132 1.00 0.00 N ATOM 791 CA GLY A 50 18.015 2.778 6.072 1.00 0.00 C ATOM 792 C GLY A 50 19.212 3.004 5.169 1.00 0.00 C ATOM 793 O GLY A 50 19.181 3.864 4.289 1.00 0.00 O ATOM 0 H GLY A 50 17.601 4.831 5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.362 2.537 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.452 1.916 5.714 1.00 0.00 H new ATOM 797 N LYS A 51 20.271 2.232 5.388 1.00 0.00 N ATOM 798 CA LYS A 51 21.484 2.352 4.589 1.00 0.00 C ATOM 799 C LYS A 51 22.174 1.000 4.442 1.00 0.00 C ATOM 800 O LYS A 51 21.938 0.068 5.211 1.00 0.00 O ATOM 801 CB LYS A 51 22.443 3.359 5.228 1.00 0.00 C ATOM 802 CG LYS A 51 22.255 4.780 4.727 1.00 0.00 C ATOM 803 CD LYS A 51 22.630 5.800 5.789 1.00 0.00 C ATOM 804 CE LYS A 51 23.139 7.092 5.166 1.00 0.00 C ATOM 805 NZ LYS A 51 24.501 6.929 4.586 1.00 0.00 N ATOM 0 H LYS A 51 20.313 1.516 6.113 1.00 0.00 H new ATOM 0 HA LYS A 51 21.202 2.707 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.306 3.343 6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.469 3.046 5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 51 22.866 4.937 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.217 4.928 4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.762 6.013 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.397 5.382 6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.449 7.416 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 51 23.158 7.877 5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 24.915 7.865 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 25.103 6.409 5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 24.437 6.399 3.694 1.00 0.00 H new ATOM 819 N PRO A 52 23.049 0.888 3.431 1.00 0.00 N ATOM 820 CA PRO A 52 23.338 1.990 2.509 1.00 0.00 C ATOM 821 C PRO A 52 22.163 2.297 1.587 1.00 0.00 C ATOM 822 O PRO A 52 21.740 3.447 1.467 1.00 0.00 O ATOM 823 CB PRO A 52 24.531 1.472 1.701 1.00 0.00 C ATOM 824 CG PRO A 52 24.417 -0.012 1.765 1.00 0.00 C ATOM 825 CD PRO A 52 23.824 -0.323 3.111 1.00 0.00 C ATOM 0 HA PRO A 52 23.536 2.923 3.037 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.496 1.828 0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.475 1.815 2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.783 -0.390 0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.393 -0.484 1.650 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.189 -1.208 3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.596 -0.514 3.856 1.00 0.00 H new ATOM 833 N ARG A 53 21.640 1.262 0.937 1.00 0.00 N ATOM 834 CA ARG A 53 20.514 1.423 0.026 1.00 0.00 C ATOM 835 C ARG A 53 19.430 0.388 0.313 1.00 0.00 C ATOM 836 O ARG A 53 19.483 -0.749 -0.157 1.00 0.00 O ATOM 837 CB ARG A 53 20.983 1.296 -1.425 1.00 0.00 C ATOM 838 CG ARG A 53 19.985 1.835 -2.437 1.00 0.00 C ATOM 839 CD ARG A 53 19.020 0.754 -2.898 1.00 0.00 C ATOM 840 NE ARG A 53 19.575 -0.047 -3.985 1.00 0.00 N ATOM 841 CZ ARG A 53 19.157 -1.273 -4.281 1.00 0.00 C ATOM 842 NH1 ARG A 53 18.186 -1.835 -3.575 1.00 0.00 N ATOM 843 NH2 ARG A 53 19.712 -1.940 -5.286 1.00 0.00 N ATOM 0 H ARG A 53 21.978 0.304 1.025 1.00 0.00 H new ATOM 0 HA ARG A 53 20.094 2.417 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.928 1.827 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 53 21.179 0.246 -1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 53 19.425 2.659 -1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 53 20.519 2.238 -3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.775 0.105 -2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.089 1.215 -3.227 1.00 0.00 H new ATOM 0 HE ARG A 53 20.324 0.356 -4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.757 -1.326 -2.802 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.867 -2.776 -3.805 1.00 0.00 H new ATOM 0 HH21 ARG A 53 20.460 -1.511 -5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.391 -2.881 -5.513 1.00 0.00 H new ATOM 857 N PRO A 54 18.423 0.788 1.103 1.00 0.00 N ATOM 858 CA PRO A 54 17.308 -0.089 1.471 1.00 0.00 C ATOM 859 C PRO A 54 16.391 -0.388 0.290 1.00 0.00 C ATOM 860 O PRO A 54 16.048 0.508 -0.482 1.00 0.00 O ATOM 861 CB PRO A 54 16.561 0.715 2.538 1.00 0.00 C ATOM 862 CG PRO A 54 16.894 2.137 2.243 1.00 0.00 C ATOM 863 CD PRO A 54 18.296 2.129 1.699 1.00 0.00 C ATOM 0 HA PRO A 54 17.653 -1.064 1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.486 0.541 2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.880 0.434 3.541 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.197 2.559 1.519 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.828 2.748 3.143 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.444 2.914 0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 54 19.033 2.291 2.485 1.00 0.00 H new ATOM 871 N GLN A 55 15.999 -1.650 0.155 1.00 0.00 N ATOM 872 CA GLN A 55 15.122 -2.065 -0.933 1.00 0.00 C ATOM 873 C GLN A 55 13.670 -1.717 -0.625 1.00 0.00 C ATOM 874 O GLN A 55 13.267 -1.662 0.537 1.00 0.00 O ATOM 875 CB GLN A 55 15.257 -3.569 -1.180 1.00 0.00 C ATOM 876 CG GLN A 55 14.768 -4.007 -2.551 1.00 0.00 C ATOM 877 CD GLN A 55 15.701 -3.581 -3.667 1.00 0.00 C ATOM 878 OE1 GLN A 55 15.644 -2.445 -4.139 1.00 0.00 O ATOM 879 NE2 GLN A 55 16.567 -4.492 -4.095 1.00 0.00 N ATOM 0 H GLN A 55 16.275 -2.403 0.785 1.00 0.00 H new ATOM 0 HA GLN A 55 15.422 -1.528 -1.833 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.303 -3.855 -1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.696 -4.106 -0.415 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.662 -5.092 -2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.778 -3.588 -2.730 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.579 -5.421 -3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 55 17.220 -4.262 -4.844 1.00 0.00 H new ATOM 888 N VAL A 56 12.887 -1.482 -1.673 1.00 0.00 N ATOM 889 CA VAL A 56 11.479 -1.140 -1.515 1.00 0.00 C ATOM 890 C VAL A 56 10.590 -2.083 -2.317 1.00 0.00 C ATOM 891 O VAL A 56 10.769 -2.246 -3.524 1.00 0.00 O ATOM 892 CB VAL A 56 11.200 0.309 -1.955 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.709 0.604 -1.911 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.972 1.288 -1.083 1.00 0.00 C ATOM 0 H VAL A 56 13.205 -1.522 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 56 11.247 -1.241 -0.455 1.00 0.00 H new ATOM 0 HB VAL A 56 11.538 0.429 -2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.532 1.633 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.184 -0.076 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.341 0.467 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.763 2.307 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.666 1.169 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.040 1.090 -1.172 1.00 0.00 H new ATOM 904 N VAL A 57 9.630 -2.704 -1.639 1.00 0.00 N ATOM 905 CA VAL A 57 8.711 -3.630 -2.289 1.00 0.00 C ATOM 906 C VAL A 57 7.261 -3.211 -2.071 1.00 0.00 C ATOM 907 O VAL A 57 6.816 -3.050 -0.935 1.00 0.00 O ATOM 908 CB VAL A 57 8.902 -5.068 -1.769 1.00 0.00 C ATOM 909 CG1 VAL A 57 7.894 -6.007 -2.414 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.324 -5.542 -2.025 1.00 0.00 C ATOM 0 H VAL A 57 9.469 -2.582 -0.639 1.00 0.00 H new ATOM 0 HA VAL A 57 8.937 -3.603 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 57 8.730 -5.073 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.044 -7.018 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.883 -5.676 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.031 -6.001 -3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.441 -6.559 -1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.527 -5.523 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.025 -4.884 -1.511 1.00 0.00 H new ATOM 920 N TRP A 58 6.531 -3.036 -3.166 1.00 0.00 N ATOM 921 CA TRP A 58 5.130 -2.636 -3.094 1.00 0.00 C ATOM 922 C TRP A 58 4.217 -3.764 -3.561 1.00 0.00 C ATOM 923 O TRP A 58 4.287 -4.199 -4.711 1.00 0.00 O ATOM 924 CB TRP A 58 4.892 -1.386 -3.944 1.00 0.00 C ATOM 925 CG TRP A 58 5.110 -0.108 -3.193 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.208 0.703 -3.257 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.209 0.506 -2.265 1.00 0.00 C ATOM 928 NE1 TRP A 58 6.043 1.783 -2.424 1.00 0.00 N ATOM 929 CE2 TRP A 58 4.825 1.686 -1.805 1.00 0.00 C ATOM 930 CE3 TRP A 58 2.941 0.175 -1.779 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.216 2.533 -0.882 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.338 1.016 -0.864 1.00 0.00 C ATOM 933 CH2 TRP A 58 2.974 2.184 -0.424 1.00 0.00 C ATOM 0 H TRP A 58 6.885 -3.165 -4.114 1.00 0.00 H new ATOM 0 HA TRP A 58 4.895 -2.411 -2.054 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.557 -1.410 -4.807 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.872 -1.405 -4.327 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.077 0.522 -3.872 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.718 2.535 -2.288 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.442 -0.722 -2.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.706 3.433 -0.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.359 0.769 -0.481 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.475 2.822 0.291 1.00 0.00 H new ATOM 944 N THR A 59 3.359 -4.236 -2.661 1.00 0.00 N ATOM 945 CA THR A 59 2.432 -5.314 -2.980 1.00 0.00 C ATOM 946 C THR A 59 1.069 -5.075 -2.341 1.00 0.00 C ATOM 947 O THR A 59 0.960 -4.392 -1.323 1.00 0.00 O ATOM 948 CB THR A 59 2.974 -6.678 -2.511 1.00 0.00 C ATOM 949 OG1 THR A 59 3.365 -6.603 -1.136 1.00 0.00 O ATOM 950 CG2 THR A 59 4.162 -7.109 -3.358 1.00 0.00 C ATOM 0 H THR A 59 3.287 -3.888 -1.705 1.00 0.00 H new ATOM 0 HA THR A 59 2.324 -5.327 -4.065 1.00 0.00 H new ATOM 0 HB THR A 59 2.181 -7.417 -2.623 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.707 -7.474 -0.845 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.527 -8.074 -3.008 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.854 -7.194 -4.400 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.957 -6.368 -3.274 1.00 0.00 H new ATOM 958 N LYS A 60 0.030 -5.642 -2.945 1.00 0.00 N ATOM 959 CA LYS A 60 -1.327 -5.493 -2.435 1.00 0.00 C ATOM 960 C LYS A 60 -1.863 -6.823 -1.916 1.00 0.00 C ATOM 961 O LYS A 60 -2.479 -7.587 -2.657 1.00 0.00 O ATOM 962 CB LYS A 60 -2.250 -4.952 -3.530 1.00 0.00 C ATOM 963 CG LYS A 60 -3.726 -5.053 -3.187 1.00 0.00 C ATOM 964 CD LYS A 60 -4.561 -4.110 -4.036 1.00 0.00 C ATOM 965 CE LYS A 60 -6.016 -4.550 -4.090 1.00 0.00 C ATOM 966 NZ LYS A 60 -6.252 -5.552 -5.166 1.00 0.00 N ATOM 0 H LYS A 60 0.103 -6.210 -3.789 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.300 -4.784 -1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.001 -3.908 -3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.062 -5.498 -4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.066 -6.078 -3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.872 -4.820 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.500 -3.101 -3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.154 -4.071 -5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.303 -4.975 -3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.652 -3.681 -4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.255 -5.827 -5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.002 -5.138 -6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.664 -6.392 -4.993 1.00 0.00 H new ATOM 980 N GLY A 61 -1.624 -7.093 -0.635 1.00 0.00 N ATOM 981 CA GLY A 61 -2.091 -8.331 -0.039 1.00 0.00 C ATOM 982 C GLY A 61 -1.306 -9.537 -0.517 1.00 0.00 C ATOM 983 O GLY A 61 -1.863 -10.619 -0.693 1.00 0.00 O ATOM 0 H GLY A 61 -1.116 -6.477 -0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.016 -8.259 1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.146 -8.470 -0.277 1.00 0.00 H new ATOM 987 N GLY A 62 -0.006 -9.349 -0.729 1.00 0.00 N ATOM 988 CA GLY A 62 0.835 -10.438 -1.189 1.00 0.00 C ATOM 989 C GLY A 62 0.697 -10.689 -2.677 1.00 0.00 C ATOM 990 O GLY A 62 0.605 -11.835 -3.114 1.00 0.00 O ATOM 0 H GLY A 62 0.479 -8.462 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.876 -10.212 -0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.577 -11.347 -0.645 1.00 0.00 H new ATOM 994 N ALA A 63 0.680 -9.613 -3.458 1.00 0.00 N ATOM 995 CA ALA A 63 0.552 -9.722 -4.906 1.00 0.00 C ATOM 996 C ALA A 63 1.198 -8.531 -5.605 1.00 0.00 C ATOM 997 O ALA A 63 1.163 -7.401 -5.118 1.00 0.00 O ATOM 998 CB ALA A 63 -0.914 -9.836 -5.299 1.00 0.00 C ATOM 0 H ALA A 63 0.753 -8.656 -3.112 1.00 0.00 H new ATOM 0 HA ALA A 63 1.074 -10.624 -5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.995 -9.917 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.347 -10.723 -4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.451 -8.950 -4.960 1.00 0.00 H new ATOM 1004 N PRO A 64 1.803 -8.787 -6.774 1.00 0.00 N ATOM 1005 CA PRO A 64 2.469 -7.748 -7.566 1.00 0.00 C ATOM 1006 C PRO A 64 1.479 -6.764 -8.181 1.00 0.00 C ATOM 1007 O PRO A 64 0.284 -7.047 -8.275 1.00 0.00 O ATOM 1008 CB PRO A 64 3.185 -8.541 -8.661 1.00 0.00 C ATOM 1009 CG PRO A 64 2.401 -9.801 -8.792 1.00 0.00 C ATOM 1010 CD PRO A 64 1.883 -10.111 -7.415 1.00 0.00 C ATOM 0 HA PRO A 64 3.136 -7.137 -6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.206 -7.988 -9.600 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.220 -8.746 -8.389 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.581 -9.678 -9.499 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.026 -10.612 -9.166 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.909 -10.599 -7.453 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.553 -10.779 -6.875 1.00 0.00 H new ATOM 1018 N LEU A 65 1.983 -5.609 -8.599 1.00 0.00 N ATOM 1019 CA LEU A 65 1.143 -4.582 -9.206 1.00 0.00 C ATOM 1020 C LEU A 65 1.364 -4.520 -10.714 1.00 0.00 C ATOM 1021 O LEU A 65 2.258 -5.177 -11.248 1.00 0.00 O ATOM 1022 CB LEU A 65 1.437 -3.218 -8.579 1.00 0.00 C ATOM 1023 CG LEU A 65 1.507 -3.183 -7.052 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.422 -2.061 -6.586 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.115 -3.020 -6.458 1.00 0.00 C ATOM 0 H LEU A 65 2.970 -5.359 -8.529 1.00 0.00 H new ATOM 0 HA LEU A 65 0.101 -4.843 -9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.386 -2.855 -8.975 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.668 -2.518 -8.904 1.00 0.00 H new ATOM 0 HG LEU A 65 1.920 -4.130 -6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.460 -2.051 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.425 -2.221 -6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.038 -1.106 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.184 -2.997 -5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.325 -2.088 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.512 -3.858 -6.764 1.00 0.00 H new ATOM 1037 N ASP A 66 0.546 -3.724 -11.394 1.00 0.00 N ATOM 1038 CA ASP A 66 0.654 -3.573 -12.840 1.00 0.00 C ATOM 1039 C ASP A 66 1.298 -2.237 -13.200 1.00 0.00 C ATOM 1040 O ASP A 66 0.616 -1.295 -13.603 1.00 0.00 O ATOM 1041 CB ASP A 66 -0.726 -3.678 -13.490 1.00 0.00 C ATOM 1042 CG ASP A 66 -1.207 -5.112 -13.597 1.00 0.00 C ATOM 1043 OD1 ASP A 66 -0.359 -6.011 -13.782 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -2.431 -5.336 -13.496 1.00 0.00 O ATOM 0 H ASP A 66 -0.199 -3.174 -10.967 1.00 0.00 H new ATOM 0 HA ASP A 66 1.287 -4.376 -13.218 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.444 -3.099 -12.908 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.691 -3.234 -14.485 1.00 0.00 H new ATOM 1049 N THR A 67 2.617 -2.163 -13.051 1.00 0.00 N ATOM 1050 CA THR A 67 3.354 -0.943 -13.358 1.00 0.00 C ATOM 1051 C THR A 67 2.766 -0.238 -14.574 1.00 0.00 C ATOM 1052 O THR A 67 2.809 0.988 -14.674 1.00 0.00 O ATOM 1053 CB THR A 67 4.843 -1.237 -13.618 1.00 0.00 C ATOM 1054 OG1 THR A 67 4.977 -2.184 -14.684 1.00 0.00 O ATOM 1055 CG2 THR A 67 5.516 -1.778 -12.365 1.00 0.00 C ATOM 0 H THR A 67 3.197 -2.934 -12.719 1.00 0.00 H new ATOM 0 HA THR A 67 3.267 -0.293 -12.487 1.00 0.00 H new ATOM 0 HB THR A 67 5.330 -0.303 -13.898 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.927 -2.364 -14.844 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.567 -1.978 -12.574 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.439 -1.043 -11.564 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.025 -2.702 -12.058 1.00 0.00 H new ATOM 1063 N SER A 68 2.217 -1.020 -15.498 1.00 0.00 N ATOM 1064 CA SER A 68 1.623 -0.469 -16.711 1.00 0.00 C ATOM 1065 C SER A 68 0.686 0.689 -16.380 1.00 0.00 C ATOM 1066 O SER A 68 0.788 1.770 -16.961 1.00 0.00 O ATOM 1067 CB SER A 68 0.859 -1.556 -17.469 1.00 0.00 C ATOM 1068 OG SER A 68 0.202 -1.021 -18.605 1.00 0.00 O ATOM 0 H SER A 68 2.171 -2.037 -15.430 1.00 0.00 H new ATOM 0 HA SER A 68 2.429 -0.093 -17.342 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.549 -2.340 -17.780 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.128 -2.020 -16.807 1.00 0.00 H new ATOM 0 HG SER A 68 -0.278 -1.736 -19.073 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.226 0.455 -15.442 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.181 1.477 -15.033 1.00 0.00 C ATOM 1076 C ARG A 69 -0.788 2.082 -13.689 1.00 0.00 C ATOM 1077 O ARG A 69 -1.001 3.270 -13.445 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.589 0.883 -14.945 1.00 0.00 C ATOM 1079 CG ARG A 69 -3.019 0.149 -16.204 1.00 0.00 C ATOM 1080 CD ARG A 69 -4.533 0.042 -16.297 1.00 0.00 C ATOM 1081 NE ARG A 69 -4.954 -0.882 -17.346 1.00 0.00 N ATOM 1082 CZ ARG A 69 -6.225 -1.147 -17.626 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -7.195 -0.561 -16.937 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -6.529 -1.999 -18.596 1.00 0.00 N ATOM 0 H ARG A 69 -0.323 -0.434 -14.951 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.173 2.267 -15.784 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.632 0.195 -14.101 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.300 1.683 -14.740 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.636 0.672 -17.080 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.581 -0.849 -16.212 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.932 -0.291 -15.339 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.955 1.028 -16.492 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.232 -1.350 -17.894 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.966 0.095 -16.190 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.170 -0.766 -17.154 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.786 -2.452 -19.128 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.506 -2.201 -18.810 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.214 1.257 -12.819 1.00 0.00 N ATOM 1099 CA VAL A 70 0.210 1.711 -11.500 1.00 0.00 C ATOM 1100 C VAL A 70 1.580 2.376 -11.561 1.00 0.00 C ATOM 1101 O VAL A 70 2.572 1.747 -11.929 1.00 0.00 O ATOM 1102 CB VAL A 70 0.262 0.544 -10.495 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.766 1.026 -9.143 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -1.107 -0.106 -10.362 1.00 0.00 C ATOM 0 H VAL A 70 -0.032 0.271 -13.004 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.528 2.439 -11.163 1.00 0.00 H new ATOM 0 HB VAL A 70 0.959 -0.205 -10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.796 0.188 -8.446 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.768 1.441 -9.255 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.096 1.795 -8.758 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.052 -0.928 -9.648 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.828 0.632 -10.010 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.424 -0.489 -11.332 1.00 0.00 H new ATOM 1114 N HIS A 71 1.628 3.654 -11.196 1.00 0.00 N ATOM 1115 CA HIS A 71 2.878 4.405 -11.209 1.00 0.00 C ATOM 1116 C HIS A 71 3.395 4.624 -9.790 1.00 0.00 C ATOM 1117 O HIS A 71 2.731 5.255 -8.967 1.00 0.00 O ATOM 1118 CB HIS A 71 2.681 5.752 -11.905 1.00 0.00 C ATOM 1119 CG HIS A 71 3.934 6.299 -12.518 1.00 0.00 C ATOM 1120 ND1 HIS A 71 4.623 5.655 -13.523 1.00 0.00 N ATOM 1121 CD2 HIS A 71 4.621 7.437 -12.262 1.00 0.00 C ATOM 1122 CE1 HIS A 71 5.681 6.372 -13.859 1.00 0.00 C ATOM 1123 NE2 HIS A 71 5.702 7.459 -13.108 1.00 0.00 N ATOM 0 H HIS A 71 0.817 4.190 -10.888 1.00 0.00 H new ATOM 0 HA HIS A 71 3.617 3.824 -11.761 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.924 5.643 -12.682 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.295 6.472 -11.183 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.366 8.188 -11.529 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.405 6.114 -14.618 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.407 8.195 -13.150 1.00 0.00 H new ATOM 1132 N VAL A 72 4.583 4.098 -9.510 1.00 0.00 N ATOM 1133 CA VAL A 72 5.188 4.235 -8.191 1.00 0.00 C ATOM 1134 C VAL A 72 6.527 4.961 -8.273 1.00 0.00 C ATOM 1135 O VAL A 72 7.455 4.497 -8.936 1.00 0.00 O ATOM 1136 CB VAL A 72 5.401 2.863 -7.524 1.00 0.00 C ATOM 1137 CG1 VAL A 72 6.122 3.021 -6.195 1.00 0.00 C ATOM 1138 CG2 VAL A 72 4.070 2.151 -7.337 1.00 0.00 C ATOM 0 H VAL A 72 5.146 3.573 -10.179 1.00 0.00 H new ATOM 0 HA VAL A 72 4.496 4.821 -7.586 1.00 0.00 H new ATOM 0 HB VAL A 72 6.025 2.253 -8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.263 2.041 -5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.093 3.487 -6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.527 3.648 -5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.238 1.183 -6.865 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.420 2.755 -6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.597 2.003 -8.308 1.00 0.00 H new ATOM 1148 N ARG A 73 6.619 6.100 -7.596 1.00 0.00 N ATOM 1149 CA ARG A 73 7.844 6.890 -7.593 1.00 0.00 C ATOM 1150 C ARG A 73 8.780 6.438 -6.476 1.00 0.00 C ATOM 1151 O ARG A 73 8.643 6.859 -5.327 1.00 0.00 O ATOM 1152 CB ARG A 73 7.518 8.376 -7.430 1.00 0.00 C ATOM 1153 CG ARG A 73 8.521 9.298 -8.103 1.00 0.00 C ATOM 1154 CD ARG A 73 9.801 9.417 -7.290 1.00 0.00 C ATOM 1155 NE ARG A 73 10.744 10.358 -7.889 1.00 0.00 N ATOM 1156 CZ ARG A 73 10.577 11.676 -7.874 1.00 0.00 C ATOM 1157 NH1 ARG A 73 9.509 12.206 -7.294 1.00 0.00 N ATOM 1158 NH2 ARG A 73 11.479 12.467 -8.440 1.00 0.00 N ATOM 0 H ARG A 73 5.860 6.497 -7.042 1.00 0.00 H new ATOM 0 HA ARG A 73 8.346 6.738 -8.548 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.527 8.569 -7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.474 8.615 -6.367 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.755 8.919 -9.098 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.078 10.286 -8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.559 9.741 -6.278 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.270 8.437 -7.207 1.00 0.00 H new ATOM 0 HE ARG A 73 11.576 9.983 -8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.813 11.602 -6.858 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.384 13.218 -7.284 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.302 12.064 -8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.350 13.479 -8.428 1.00 0.00 H new ATOM 1172 N THR A 74 9.733 5.577 -6.821 1.00 0.00 N ATOM 1173 CA THR A 74 10.690 5.066 -5.848 1.00 0.00 C ATOM 1174 C THR A 74 12.057 5.717 -6.028 1.00 0.00 C ATOM 1175 O THR A 74 12.691 5.574 -7.074 1.00 0.00 O ATOM 1176 CB THR A 74 10.844 3.538 -5.961 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.554 2.918 -6.008 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.634 2.985 -4.784 1.00 0.00 C ATOM 0 H THR A 74 9.862 5.219 -7.767 1.00 0.00 H new ATOM 0 HA THR A 74 10.299 5.313 -4.861 1.00 0.00 H new ATOM 0 HB THR A 74 11.387 3.317 -6.880 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.660 1.947 -6.081 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.730 1.904 -4.886 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.626 3.437 -4.767 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.113 3.217 -3.855 1.00 0.00 H new ATOM 1186 N SER A 75 12.506 6.432 -5.002 1.00 0.00 N ATOM 1187 CA SER A 75 13.797 7.108 -5.048 1.00 0.00 C ATOM 1188 C SER A 75 14.719 6.595 -3.945 1.00 0.00 C ATOM 1189 O SER A 75 14.341 5.725 -3.160 1.00 0.00 O ATOM 1190 CB SER A 75 13.610 8.620 -4.909 1.00 0.00 C ATOM 1191 OG SER A 75 12.556 9.082 -5.736 1.00 0.00 O ATOM 0 H SER A 75 11.995 6.558 -4.128 1.00 0.00 H new ATOM 0 HA SER A 75 14.258 6.893 -6.012 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.397 8.869 -3.870 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.536 9.130 -5.175 1.00 0.00 H new ATOM 0 HG SER A 75 12.456 10.051 -5.628 1.00 0.00 H new ATOM 1197 N ASP A 76 15.929 7.141 -3.893 1.00 0.00 N ATOM 1198 CA ASP A 76 16.906 6.740 -2.887 1.00 0.00 C ATOM 1199 C ASP A 76 16.605 7.400 -1.545 1.00 0.00 C ATOM 1200 O ASP A 76 17.388 7.294 -0.601 1.00 0.00 O ATOM 1201 CB ASP A 76 18.319 7.105 -3.344 1.00 0.00 C ATOM 1202 CG ASP A 76 18.349 8.369 -4.181 1.00 0.00 C ATOM 1203 OD1 ASP A 76 17.739 9.373 -3.759 1.00 0.00 O ATOM 1204 OD2 ASP A 76 18.982 8.353 -5.257 1.00 0.00 O ATOM 0 H ASP A 76 16.257 7.862 -4.535 1.00 0.00 H new ATOM 0 HA ASP A 76 16.841 5.659 -2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.958 7.236 -2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.735 6.280 -3.922 1.00 0.00 H new ATOM 1209 N PHE A 77 15.467 8.082 -1.468 1.00 0.00 N ATOM 1210 CA PHE A 77 15.064 8.761 -0.243 1.00 0.00 C ATOM 1211 C PHE A 77 13.725 8.228 0.260 1.00 0.00 C ATOM 1212 O PHE A 77 13.632 7.697 1.366 1.00 0.00 O ATOM 1213 CB PHE A 77 14.969 10.270 -0.478 1.00 0.00 C ATOM 1214 CG PHE A 77 16.199 10.857 -1.108 1.00 0.00 C ATOM 1215 CD1 PHE A 77 17.423 10.791 -0.462 1.00 0.00 C ATOM 1216 CD2 PHE A 77 16.132 11.475 -2.346 1.00 0.00 C ATOM 1217 CE1 PHE A 77 18.558 11.330 -1.039 1.00 0.00 C ATOM 1218 CE2 PHE A 77 17.263 12.016 -2.929 1.00 0.00 C ATOM 1219 CZ PHE A 77 18.477 11.944 -2.274 1.00 0.00 C ATOM 0 H PHE A 77 14.808 8.179 -2.240 1.00 0.00 H new ATOM 0 HA PHE A 77 15.821 8.566 0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.110 10.477 -1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.786 10.767 0.475 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.491 10.313 0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.185 11.535 -2.862 1.00 0.00 H new ATOM 0 HE1 PHE A 77 19.506 11.271 -0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.197 12.494 -3.895 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.362 12.367 -2.727 1.00 0.00 H new ATOM 1229 N ASP A 78 12.692 8.374 -0.562 1.00 0.00 N ATOM 1230 CA ASP A 78 11.358 7.907 -0.202 1.00 0.00 C ATOM 1231 C ASP A 78 10.603 7.417 -1.434 1.00 0.00 C ATOM 1232 O ASP A 78 11.004 7.682 -2.568 1.00 0.00 O ATOM 1233 CB ASP A 78 10.570 9.025 0.483 1.00 0.00 C ATOM 1234 CG ASP A 78 10.636 10.332 -0.283 1.00 0.00 C ATOM 1235 OD1 ASP A 78 11.606 10.524 -1.046 1.00 0.00 O ATOM 1236 OD2 ASP A 78 9.719 11.164 -0.118 1.00 0.00 O ATOM 0 H ASP A 78 12.752 8.812 -1.481 1.00 0.00 H new ATOM 0 HA ASP A 78 11.467 7.073 0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.529 8.720 0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.960 9.177 1.489 1.00 0.00 H new ATOM 1241 N THR A 79 9.507 6.700 -1.205 1.00 0.00 N ATOM 1242 CA THR A 79 8.698 6.171 -2.295 1.00 0.00 C ATOM 1243 C THR A 79 7.278 6.725 -2.245 1.00 0.00 C ATOM 1244 O THR A 79 6.710 6.906 -1.168 1.00 0.00 O ATOM 1245 CB THR A 79 8.638 4.633 -2.256 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.916 4.141 -3.390 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.972 4.150 -0.976 1.00 0.00 C ATOM 0 H THR A 79 9.160 6.473 -0.273 1.00 0.00 H new ATOM 0 HA THR A 79 9.176 6.485 -3.223 1.00 0.00 H new ATOM 0 HB THR A 79 9.659 4.251 -2.283 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.548 3.806 -4.060 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.941 3.060 -0.971 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.541 4.501 -0.115 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.956 4.542 -0.924 1.00 0.00 H new ATOM 1255 N VAL A 80 6.710 6.992 -3.416 1.00 0.00 N ATOM 1256 CA VAL A 80 5.355 7.523 -3.505 1.00 0.00 C ATOM 1257 C VAL A 80 4.459 6.608 -4.333 1.00 0.00 C ATOM 1258 O VAL A 80 4.935 5.868 -5.194 1.00 0.00 O ATOM 1259 CB VAL A 80 5.345 8.932 -4.127 1.00 0.00 C ATOM 1260 CG1 VAL A 80 6.649 9.656 -3.831 1.00 0.00 C ATOM 1261 CG2 VAL A 80 5.099 8.851 -5.626 1.00 0.00 C ATOM 0 H VAL A 80 7.167 6.849 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 80 4.970 7.580 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 80 4.531 9.502 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.623 10.650 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.778 9.747 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.482 9.091 -4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.095 9.856 -6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.889 8.264 -6.093 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.136 8.376 -5.811 1.00 0.00 H new ATOM 1271 N PHE A 81 3.158 6.664 -4.066 1.00 0.00 N ATOM 1272 CA PHE A 81 2.194 5.840 -4.786 1.00 0.00 C ATOM 1273 C PHE A 81 1.194 6.709 -5.542 1.00 0.00 C ATOM 1274 O PHE A 81 0.599 7.626 -4.977 1.00 0.00 O ATOM 1275 CB PHE A 81 1.455 4.918 -3.815 1.00 0.00 C ATOM 1276 CG PHE A 81 0.318 4.167 -4.449 1.00 0.00 C ATOM 1277 CD1 PHE A 81 0.562 3.172 -5.381 1.00 0.00 C ATOM 1278 CD2 PHE A 81 -0.994 4.458 -4.113 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -0.481 2.479 -5.966 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -2.042 3.769 -4.694 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.785 2.779 -5.623 1.00 0.00 C ATOM 0 H PHE A 81 2.747 7.271 -3.357 1.00 0.00 H new ATOM 0 HA PHE A 81 2.739 5.233 -5.509 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.163 4.203 -3.395 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.070 5.511 -2.985 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.580 2.935 -5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.200 5.232 -3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.277 1.704 -6.690 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.060 4.004 -4.422 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.602 2.241 -6.080 1.00 0.00 H new ATOM 1291 N PHE A 82 1.013 6.413 -6.825 1.00 0.00 N ATOM 1292 CA PHE A 82 0.086 7.167 -7.661 1.00 0.00 C ATOM 1293 C PHE A 82 -0.834 6.228 -8.436 1.00 0.00 C ATOM 1294 O PHE A 82 -0.467 5.093 -8.741 1.00 0.00 O ATOM 1295 CB PHE A 82 0.856 8.063 -8.633 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.023 8.753 -9.637 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.725 9.897 -9.293 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -0.148 8.256 -10.924 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.534 10.534 -10.214 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -0.956 8.889 -11.850 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.651 10.029 -11.495 1.00 0.00 C ATOM 0 H PHE A 82 1.496 5.656 -7.309 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.526 7.791 -7.010 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.405 8.814 -8.065 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.595 7.461 -9.162 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.639 10.295 -8.293 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.392 7.364 -11.207 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.075 11.426 -9.933 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.044 8.492 -12.851 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.284 10.524 -12.217 1.00 0.00 H new ATOM 1311 N VAL A 83 -2.031 6.711 -8.752 1.00 0.00 N ATOM 1312 CA VAL A 83 -3.005 5.917 -9.493 1.00 0.00 C ATOM 1313 C VAL A 83 -3.864 6.799 -10.391 1.00 0.00 C ATOM 1314 O VAL A 83 -4.457 7.776 -9.935 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.921 5.123 -8.542 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -5.036 4.442 -9.320 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -3.113 4.105 -7.751 1.00 0.00 C ATOM 0 H VAL A 83 -2.350 7.648 -8.507 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.440 5.218 -10.110 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.375 5.819 -7.837 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.673 3.886 -8.632 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.631 5.195 -9.837 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.605 3.756 -10.049 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.776 3.553 -7.084 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.630 3.411 -8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.354 4.621 -7.163 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.927 6.446 -11.671 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.714 7.207 -12.635 1.00 0.00 C ATOM 1329 C ARG A 84 -6.165 7.327 -12.178 1.00 0.00 C ATOM 1330 O ARG A 84 -6.721 8.424 -12.130 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.655 6.541 -14.011 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.072 7.459 -15.149 1.00 0.00 C ATOM 1333 CD ARG A 84 -3.884 8.224 -15.711 1.00 0.00 C ATOM 1334 NE ARG A 84 -4.121 8.676 -17.079 1.00 0.00 N ATOM 1335 CZ ARG A 84 -3.919 7.915 -18.149 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -3.478 6.672 -18.010 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -4.158 8.397 -19.362 1.00 0.00 N ATOM 0 H ARG A 84 -3.443 5.639 -12.064 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.289 8.208 -12.704 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.639 6.190 -14.192 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.300 5.663 -14.008 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.535 6.871 -15.941 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.824 8.163 -14.793 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.674 9.085 -15.076 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.999 7.588 -15.688 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.460 9.628 -17.221 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.293 6.298 -17.079 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.324 6.090 -18.834 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.497 9.353 -19.473 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.003 7.812 -20.183 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.771 6.192 -11.844 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.157 6.171 -11.392 1.00 0.00 C ATOM 1353 C GLN A 85 -8.339 5.188 -10.240 1.00 0.00 C ATOM 1354 O GLN A 85 -7.976 4.017 -10.347 1.00 0.00 O ATOM 1355 CB GLN A 85 -9.087 5.797 -12.548 1.00 0.00 C ATOM 1356 CG GLN A 85 -8.908 6.672 -13.779 1.00 0.00 C ATOM 1357 CD GLN A 85 -9.672 6.150 -14.981 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -9.867 4.944 -15.131 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -10.108 7.059 -15.845 1.00 0.00 N ATOM 0 H GLN A 85 -6.324 5.276 -11.878 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.412 7.170 -11.038 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.912 4.757 -12.823 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.121 5.867 -12.209 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.242 7.684 -13.552 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.848 6.734 -14.025 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.923 8.049 -15.681 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.628 6.768 -16.673 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.903 5.673 -9.139 1.00 0.00 N ATOM 1369 CA ALA A 86 -9.135 4.837 -7.967 1.00 0.00 C ATOM 1370 C ALA A 86 -10.439 4.058 -8.098 1.00 0.00 C ATOM 1371 O ALA A 86 -11.506 4.548 -7.729 1.00 0.00 O ATOM 1372 CB ALA A 86 -9.151 5.689 -6.706 1.00 0.00 C ATOM 0 H ALA A 86 -9.208 6.641 -9.034 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.319 4.118 -7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.325 5.052 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.192 6.196 -6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.947 6.430 -6.778 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.346 2.842 -8.627 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.519 1.995 -8.805 1.00 0.00 C ATOM 1380 C ALA A 87 -11.800 1.176 -7.550 1.00 0.00 C ATOM 1381 O ALA A 87 -10.877 0.696 -6.891 1.00 0.00 O ATOM 1382 CB ALA A 87 -11.330 1.078 -10.005 1.00 0.00 C ATOM 0 H ALA A 87 -9.471 2.422 -8.940 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.379 2.640 -8.986 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.213 0.451 -10.126 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.185 1.679 -10.903 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.456 0.447 -9.846 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.079 1.020 -7.225 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.481 0.260 -6.048 1.00 0.00 C ATOM 1390 C ARG A 88 -12.550 -0.927 -5.823 1.00 0.00 C ATOM 1391 O ARG A 88 -12.179 -1.231 -4.689 1.00 0.00 O ATOM 1392 CB ARG A 88 -14.923 -0.230 -6.199 1.00 0.00 C ATOM 1393 CG ARG A 88 -15.955 0.884 -6.133 1.00 0.00 C ATOM 1394 CD ARG A 88 -17.363 0.330 -5.987 1.00 0.00 C ATOM 1395 NE ARG A 88 -17.503 -0.505 -4.797 1.00 0.00 N ATOM 1396 CZ ARG A 88 -17.516 -0.024 -3.559 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -17.400 1.280 -3.350 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -17.647 -0.847 -2.527 1.00 0.00 N ATOM 0 H ARG A 88 -13.855 1.410 -7.760 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.417 0.919 -5.182 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.023 -0.750 -7.151 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.135 -0.957 -5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.731 1.539 -5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.894 1.492 -7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -18.074 1.155 -5.936 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.616 -0.255 -6.872 1.00 0.00 H new ATOM 0 HE ARG A 88 -17.596 -1.513 -4.924 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -17.301 1.916 -4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.410 1.647 -2.398 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.738 -1.851 -2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.657 -0.476 -1.577 1.00 0.00 H new ATOM 1412 N SER A 89 -12.176 -1.594 -6.910 1.00 0.00 N ATOM 1413 CA SER A 89 -11.291 -2.750 -6.831 1.00 0.00 C ATOM 1414 C SER A 89 -9.995 -2.395 -6.109 1.00 0.00 C ATOM 1415 O SER A 89 -9.547 -3.120 -5.220 1.00 0.00 O ATOM 1416 CB SER A 89 -10.979 -3.277 -8.233 1.00 0.00 C ATOM 1417 OG SER A 89 -12.096 -3.954 -8.784 1.00 0.00 O ATOM 0 H SER A 89 -12.472 -1.354 -7.856 1.00 0.00 H new ATOM 0 HA SER A 89 -11.801 -3.528 -6.263 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.696 -2.448 -8.882 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.125 -3.953 -8.189 1.00 0.00 H new ATOM 0 HG SER A 89 -11.872 -4.280 -9.681 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.398 -1.274 -6.498 1.00 0.00 N ATOM 1424 CA ASP A 90 -8.153 -0.819 -5.888 1.00 0.00 C ATOM 1425 C ASP A 90 -8.171 -1.049 -4.380 1.00 0.00 C ATOM 1426 O ASP A 90 -7.211 -1.567 -3.809 1.00 0.00 O ATOM 1427 CB ASP A 90 -7.925 0.663 -6.188 1.00 0.00 C ATOM 1428 CG ASP A 90 -7.847 0.948 -7.675 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -8.654 0.370 -8.433 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -6.980 1.749 -8.080 1.00 0.00 O ATOM 0 H ASP A 90 -9.755 -0.663 -7.233 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.335 -1.398 -6.316 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.734 1.248 -5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.002 0.990 -5.710 1.00 0.00 H new ATOM 1435 N SER A 91 -9.269 -0.660 -3.740 1.00 0.00 N ATOM 1436 CA SER A 91 -9.411 -0.820 -2.298 1.00 0.00 C ATOM 1437 C SER A 91 -8.895 -2.184 -1.849 1.00 0.00 C ATOM 1438 O SER A 91 -9.509 -3.213 -2.126 1.00 0.00 O ATOM 1439 CB SER A 91 -10.875 -0.654 -1.886 1.00 0.00 C ATOM 1440 OG SER A 91 -11.627 -1.813 -2.200 1.00 0.00 O ATOM 0 H SER A 91 -10.074 -0.232 -4.198 1.00 0.00 H new ATOM 0 HA SER A 91 -8.815 -0.048 -1.812 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.935 -0.457 -0.816 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.303 0.210 -2.394 1.00 0.00 H new ATOM 0 HG SER A 91 -11.752 -1.869 -3.170 1.00 0.00 H new ATOM 1446 N GLY A 92 -7.762 -2.181 -1.153 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.182 -3.423 -0.676 1.00 0.00 C ATOM 1448 C GLY A 92 -6.221 -3.209 0.476 1.00 0.00 C ATOM 1449 O GLY A 92 -6.430 -2.331 1.312 1.00 0.00 O ATOM 0 H GLY A 92 -7.236 -1.341 -0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.980 -4.095 -0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.658 -3.914 -1.496 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.165 -4.016 0.521 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.169 -3.911 1.582 1.00 0.00 C ATOM 1455 C GLU A 93 -2.758 -3.889 1.002 1.00 0.00 C ATOM 1456 O GLU A 93 -2.225 -4.922 0.597 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.312 -5.077 2.562 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.808 -4.762 3.960 1.00 0.00 C ATOM 1459 CD GLU A 93 -4.434 -5.648 5.020 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -4.652 -6.845 4.740 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -4.706 -5.143 6.129 1.00 0.00 O ATOM 0 H GLU A 93 -4.977 -4.748 -0.164 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.339 -2.975 2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.362 -5.366 2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.766 -5.937 2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.725 -4.880 3.987 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.021 -3.718 4.192 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.158 -2.704 0.966 1.00 0.00 N ATOM 1469 CA TYR A 94 -0.810 -2.545 0.434 1.00 0.00 C ATOM 1470 C TYR A 94 0.235 -2.768 1.523 1.00 0.00 C ATOM 1471 O TYR A 94 0.252 -2.067 2.534 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.640 -1.152 -0.174 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.443 -0.940 -1.437 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.817 -1.149 -1.454 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.828 -0.531 -2.614 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.554 -0.957 -2.606 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.558 -0.336 -3.771 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.921 -0.551 -3.762 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.652 -0.358 -4.911 1.00 0.00 O ATOM 0 H TYR A 94 -2.584 -1.839 1.299 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.663 -3.294 -0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.934 -0.405 0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.415 -0.986 -0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.317 -1.467 -0.551 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.239 -0.363 -2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.621 -1.124 -2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.065 -0.017 -4.677 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.056 -0.072 -5.634 1.00 0.00 H new ATOM 1489 N GLU A 95 1.105 -3.750 1.307 1.00 0.00 N ATOM 1490 CA GLU A 95 2.153 -4.066 2.270 1.00 0.00 C ATOM 1491 C GLU A 95 3.515 -3.595 1.766 1.00 0.00 C ATOM 1492 O GLU A 95 3.992 -4.041 0.722 1.00 0.00 O ATOM 1493 CB GLU A 95 2.191 -5.572 2.541 1.00 0.00 C ATOM 1494 CG GLU A 95 3.108 -5.961 3.688 1.00 0.00 C ATOM 1495 CD GLU A 95 3.549 -7.410 3.616 1.00 0.00 C ATOM 1496 OE1 GLU A 95 3.826 -7.891 2.498 1.00 0.00 O ATOM 1497 OE2 GLU A 95 3.619 -8.062 4.679 1.00 0.00 O ATOM 0 H GLU A 95 1.105 -4.340 0.475 1.00 0.00 H new ATOM 0 HA GLU A 95 1.927 -3.542 3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.181 -5.919 2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.515 -6.087 1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.987 -5.317 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.594 -5.788 4.634 1.00 0.00 H new ATOM 1504 N LEU A 96 4.134 -2.689 2.515 1.00 0.00 N ATOM 1505 CA LEU A 96 5.441 -2.156 2.146 1.00 0.00 C ATOM 1506 C LEU A 96 6.548 -2.806 2.969 1.00 0.00 C ATOM 1507 O LEU A 96 6.610 -2.638 4.187 1.00 0.00 O ATOM 1508 CB LEU A 96 5.468 -0.639 2.342 1.00 0.00 C ATOM 1509 CG LEU A 96 6.815 0.045 2.102 1.00 0.00 C ATOM 1510 CD1 LEU A 96 7.191 -0.019 0.630 1.00 0.00 C ATOM 1511 CD2 LEU A 96 6.773 1.489 2.581 1.00 0.00 C ATOM 0 H LEU A 96 3.752 -2.308 3.381 1.00 0.00 H new ATOM 0 HA LEU A 96 5.615 -2.384 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.732 -0.193 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.147 -0.419 3.360 1.00 0.00 H new ATOM 0 HG LEU A 96 7.577 -0.485 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.152 0.473 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.263 -1.061 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.428 0.485 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.740 1.960 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.999 2.031 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.550 1.512 3.648 1.00 0.00 H new ATOM 1523 N SER A 97 7.420 -3.549 2.296 1.00 0.00 N ATOM 1524 CA SER A 97 8.524 -4.227 2.965 1.00 0.00 C ATOM 1525 C SER A 97 9.865 -3.648 2.523 1.00 0.00 C ATOM 1526 O SER A 97 9.992 -3.116 1.421 1.00 0.00 O ATOM 1527 CB SER A 97 8.483 -5.728 2.671 1.00 0.00 C ATOM 1528 OG SER A 97 7.868 -5.986 1.421 1.00 0.00 O ATOM 0 H SER A 97 7.384 -3.697 1.287 1.00 0.00 H new ATOM 0 HA SER A 97 8.416 -4.071 4.038 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.496 -6.130 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.936 -6.242 3.462 1.00 0.00 H new ATOM 0 HG SER A 97 7.856 -6.952 1.256 1.00 0.00 H new ATOM 1534 N VAL A 98 10.865 -3.756 3.393 1.00 0.00 N ATOM 1535 CA VAL A 98 12.197 -3.244 3.094 1.00 0.00 C ATOM 1536 C VAL A 98 13.260 -4.313 3.321 1.00 0.00 C ATOM 1537 O VAL A 98 13.554 -4.678 4.459 1.00 0.00 O ATOM 1538 CB VAL A 98 12.532 -2.012 3.956 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.895 -1.452 3.580 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.452 -0.951 3.810 1.00 0.00 C ATOM 0 H VAL A 98 10.777 -4.193 4.310 1.00 0.00 H new ATOM 0 HA VAL A 98 12.196 -2.953 2.043 1.00 0.00 H new ATOM 0 HB VAL A 98 12.568 -2.320 5.001 1.00 0.00 H new ATOM 0 HG11 VAL A 98 14.114 -0.582 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.658 -2.214 3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.891 -1.158 2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.705 -0.088 4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.382 -0.644 2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.495 -1.360 4.133 1.00 0.00 H new ATOM 1550 N GLN A 99 13.832 -4.812 2.230 1.00 0.00 N ATOM 1551 CA GLN A 99 14.863 -5.840 2.311 1.00 0.00 C ATOM 1552 C GLN A 99 16.251 -5.214 2.400 1.00 0.00 C ATOM 1553 O GLN A 99 16.665 -4.470 1.510 1.00 0.00 O ATOM 1554 CB GLN A 99 14.785 -6.766 1.096 1.00 0.00 C ATOM 1555 CG GLN A 99 15.335 -8.159 1.356 1.00 0.00 C ATOM 1556 CD GLN A 99 14.898 -9.164 0.309 1.00 0.00 C ATOM 1557 OE1 GLN A 99 14.821 -8.847 -0.878 1.00 0.00 O ATOM 1558 NE2 GLN A 99 14.609 -10.385 0.744 1.00 0.00 N ATOM 0 H GLN A 99 13.599 -4.521 1.280 1.00 0.00 H new ATOM 0 HA GLN A 99 14.689 -6.423 3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.745 -6.848 0.779 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.336 -6.315 0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.424 -8.117 1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.006 -8.498 2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.687 -10.604 1.737 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.309 -11.104 0.085 1.00 0.00 H new ATOM 1567 N ILE A 100 16.964 -5.519 3.479 1.00 0.00 N ATOM 1568 CA ILE A 100 18.305 -4.987 3.683 1.00 0.00 C ATOM 1569 C ILE A 100 19.338 -6.107 3.745 1.00 0.00 C ATOM 1570 O ILE A 100 18.998 -7.264 3.990 1.00 0.00 O ATOM 1571 CB ILE A 100 18.389 -4.154 4.976 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.273 -3.108 5.009 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.752 -3.486 5.088 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.579 -1.871 4.194 1.00 0.00 C ATOM 0 H ILE A 100 16.635 -6.132 4.225 1.00 0.00 H new ATOM 0 HA ILE A 100 18.522 -4.343 2.831 1.00 0.00 H new ATOM 0 HB ILE A 100 18.261 -4.821 5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.353 -3.559 4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 100 17.091 -2.816 6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.796 -2.901 6.007 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.531 -4.249 5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.907 -2.829 4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.744 -1.174 4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.482 -1.396 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.732 -2.151 3.152 1.00 0.00 H new ATOM 1586 N GLU A 101 20.600 -5.754 3.522 1.00 0.00 N ATOM 1587 CA GLU A 101 21.682 -6.730 3.554 1.00 0.00 C ATOM 1588 C GLU A 101 21.378 -7.848 4.547 1.00 0.00 C ATOM 1589 O GLU A 101 21.313 -9.020 4.177 1.00 0.00 O ATOM 1590 CB GLU A 101 23.002 -6.050 3.924 1.00 0.00 C ATOM 1591 CG GLU A 101 23.456 -5.010 2.913 1.00 0.00 C ATOM 1592 CD GLU A 101 24.313 -5.603 1.811 1.00 0.00 C ATOM 1593 OE1 GLU A 101 23.958 -6.686 1.300 1.00 0.00 O ATOM 1594 OE2 GLU A 101 25.339 -4.983 1.460 1.00 0.00 O ATOM 0 H GLU A 101 20.898 -4.800 3.317 1.00 0.00 H new ATOM 0 HA GLU A 101 21.772 -7.166 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.895 -5.574 4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.777 -6.810 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.582 -4.532 2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.019 -4.231 3.427 1.00 0.00 H new ATOM 1601 N ASN A 102 21.192 -7.476 5.809 1.00 0.00 N ATOM 1602 CA ASN A 102 20.896 -8.447 6.856 1.00 0.00 C ATOM 1603 C ASN A 102 19.623 -8.066 7.606 1.00 0.00 C ATOM 1604 O ASN A 102 18.987 -8.910 8.238 1.00 0.00 O ATOM 1605 CB ASN A 102 22.067 -8.546 7.835 1.00 0.00 C ATOM 1606 CG ASN A 102 23.207 -9.386 7.290 1.00 0.00 C ATOM 1607 OD1 ASN A 102 23.320 -10.572 7.598 1.00 0.00 O ATOM 1608 ND2 ASN A 102 24.057 -8.771 6.476 1.00 0.00 N ATOM 0 H ASN A 102 21.241 -6.510 6.131 1.00 0.00 H new ATOM 0 HA ASN A 102 20.743 -9.418 6.384 1.00 0.00 H new ATOM 0 HB2 ASN A 102 22.433 -7.545 8.062 1.00 0.00 H new ATOM 0 HB3 ASN A 102 21.717 -8.977 8.773 1.00 0.00 H new ATOM 0 HD21 ASN A 102 24.844 -9.284 6.078 1.00 0.00 H new ATOM 0 HD22 ASN A 102 23.923 -7.786 6.249 1.00 0.00 H new ATOM 1615 N MET A 103 19.257 -6.791 7.530 1.00 0.00 N ATOM 1616 CA MET A 103 18.058 -6.299 8.200 1.00 0.00 C ATOM 1617 C MET A 103 16.846 -6.384 7.278 1.00 0.00 C ATOM 1618 O MET A 103 16.985 -6.578 6.070 1.00 0.00 O ATOM 1619 CB MET A 103 18.263 -4.855 8.662 1.00 0.00 C ATOM 1620 CG MET A 103 19.031 -4.738 9.969 1.00 0.00 C ATOM 1621 SD MET A 103 18.090 -5.340 11.384 1.00 0.00 S ATOM 1622 CE MET A 103 17.177 -3.866 11.835 1.00 0.00 C ATOM 0 H MET A 103 19.773 -6.080 7.012 1.00 0.00 H new ATOM 0 HA MET A 103 17.874 -6.929 9.071 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.797 -4.306 7.886 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.290 -4.378 8.778 1.00 0.00 H new ATOM 0 HG2 MET A 103 19.961 -5.300 9.891 1.00 0.00 H new ATOM 0 HG3 MET A 103 19.302 -3.695 10.135 1.00 0.00 H new ATOM 0 HE1 MET A 103 16.895 -3.920 12.887 1.00 0.00 H new ATOM 0 HE2 MET A 103 17.801 -2.987 11.671 1.00 0.00 H new ATOM 0 HE3 MET A 103 16.279 -3.793 11.222 1.00 0.00 H new ATOM 1632 N LYS A 104 15.658 -6.237 7.855 1.00 0.00 N ATOM 1633 CA LYS A 104 14.421 -6.296 7.085 1.00 0.00 C ATOM 1634 C LYS A 104 13.278 -5.626 7.841 1.00 0.00 C ATOM 1635 O LYS A 104 13.275 -5.584 9.072 1.00 0.00 O ATOM 1636 CB LYS A 104 14.059 -7.750 6.774 1.00 0.00 C ATOM 1637 CG LYS A 104 12.858 -7.894 5.855 1.00 0.00 C ATOM 1638 CD LYS A 104 11.563 -8.009 6.643 1.00 0.00 C ATOM 1639 CE LYS A 104 10.532 -8.845 5.901 1.00 0.00 C ATOM 1640 NZ LYS A 104 9.987 -8.128 4.714 1.00 0.00 N ATOM 0 H LYS A 104 15.526 -6.076 8.854 1.00 0.00 H new ATOM 0 HA LYS A 104 14.578 -5.759 6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.918 -8.239 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.856 -8.273 7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.804 -7.034 5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.983 -8.776 5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.766 -8.458 7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.160 -7.014 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.986 -9.783 5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.716 -9.100 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.034 -8.485 4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.937 -7.109 4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.609 -8.288 3.896 1.00 0.00 H new ATOM 1654 N ASP A 105 12.308 -5.106 7.098 1.00 0.00 N ATOM 1655 CA ASP A 105 11.158 -4.440 7.698 1.00 0.00 C ATOM 1656 C ASP A 105 9.890 -4.719 6.897 1.00 0.00 C ATOM 1657 O ASP A 105 9.951 -5.178 5.756 1.00 0.00 O ATOM 1658 CB ASP A 105 11.401 -2.933 7.784 1.00 0.00 C ATOM 1659 CG ASP A 105 10.683 -2.297 8.958 1.00 0.00 C ATOM 1660 OD1 ASP A 105 9.675 -2.871 9.420 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.131 -1.225 9.416 1.00 0.00 O ATOM 0 H ASP A 105 12.295 -5.133 6.078 1.00 0.00 H new ATOM 0 HA ASP A 105 11.025 -4.836 8.705 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.471 -2.745 7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.069 -2.461 6.859 1.00 0.00 H new ATOM 1666 N THR A 106 8.740 -4.440 7.502 1.00 0.00 N ATOM 1667 CA THR A 106 7.457 -4.662 6.847 1.00 0.00 C ATOM 1668 C THR A 106 6.434 -3.615 7.272 1.00 0.00 C ATOM 1669 O THR A 106 6.634 -2.900 8.253 1.00 0.00 O ATOM 1670 CB THR A 106 6.901 -6.064 7.161 1.00 0.00 C ATOM 1671 OG1 THR A 106 6.835 -6.259 8.578 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.772 -7.144 6.536 1.00 0.00 C ATOM 0 H THR A 106 8.671 -4.059 8.446 1.00 0.00 H new ATOM 0 HA THR A 106 7.632 -4.580 5.774 1.00 0.00 H new ATOM 0 HB THR A 106 5.899 -6.136 6.737 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.479 -7.152 8.769 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.360 -8.125 6.771 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.797 -7.011 5.454 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.784 -7.071 6.934 1.00 0.00 H new ATOM 1680 N ALA A 107 5.336 -3.532 6.528 1.00 0.00 N ATOM 1681 CA ALA A 107 4.279 -2.574 6.830 1.00 0.00 C ATOM 1682 C ALA A 107 2.974 -2.962 6.144 1.00 0.00 C ATOM 1683 O ALA A 107 2.974 -3.693 5.154 1.00 0.00 O ATOM 1684 CB ALA A 107 4.702 -1.173 6.413 1.00 0.00 C ATOM 0 H ALA A 107 5.155 -4.116 5.712 1.00 0.00 H new ATOM 0 HA ALA A 107 4.109 -2.585 7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.904 -0.468 6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.605 -0.889 6.954 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.901 -1.157 5.341 1.00 0.00 H new ATOM 1690 N THR A 108 1.861 -2.467 6.677 1.00 0.00 N ATOM 1691 CA THR A 108 0.548 -2.763 6.117 1.00 0.00 C ATOM 1692 C THR A 108 -0.266 -1.490 5.920 1.00 0.00 C ATOM 1693 O THR A 108 -0.372 -0.663 6.827 1.00 0.00 O ATOM 1694 CB THR A 108 -0.242 -3.730 7.019 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.522 -4.918 7.252 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.575 -4.095 6.383 1.00 0.00 C ATOM 0 H THR A 108 1.843 -1.859 7.496 1.00 0.00 H new ATOM 0 HA THR A 108 0.717 -3.236 5.149 1.00 0.00 H new ATOM 0 HB THR A 108 -0.434 -3.231 7.969 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.013 -5.526 7.828 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.115 -4.779 7.038 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.166 -3.192 6.234 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.399 -4.577 5.421 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.839 -1.337 4.731 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.645 -0.164 4.417 1.00 0.00 C ATOM 1706 C ILE A 109 -3.030 -0.566 3.921 1.00 0.00 C ATOM 1707 O ILE A 109 -3.161 -1.288 2.933 1.00 0.00 O ATOM 1708 CB ILE A 109 -0.966 0.717 3.353 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.391 1.210 3.857 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.861 1.893 2.989 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.315 1.673 2.752 1.00 0.00 C ATOM 0 H ILE A 109 -0.760 -2.011 3.969 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.744 0.408 5.340 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.803 0.118 2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.233 2.032 4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.876 0.408 4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.367 2.507 2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.806 1.522 2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.052 2.494 3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.258 2.009 3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.503 0.848 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.850 2.497 2.210 1.00 0.00 H new ATOM 1723 N ARG A 110 -4.061 -0.091 4.612 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.437 -0.400 4.242 1.00 0.00 C ATOM 1725 C ARG A 110 -6.098 0.794 3.560 1.00 0.00 C ATOM 1726 O ARG A 110 -6.169 1.884 4.128 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.242 -0.805 5.478 1.00 0.00 C ATOM 1728 CG ARG A 110 -5.789 -2.117 6.097 1.00 0.00 C ATOM 1729 CD ARG A 110 -6.384 -2.313 7.483 1.00 0.00 C ATOM 1730 NE ARG A 110 -5.853 -3.503 8.143 1.00 0.00 N ATOM 1731 CZ ARG A 110 -4.653 -3.555 8.711 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -3.864 -2.489 8.700 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -4.241 -4.674 9.292 1.00 0.00 N ATOM 0 H ARG A 110 -3.969 0.510 5.431 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.419 -1.233 3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.166 -0.015 6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.294 -0.886 5.205 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.083 -2.945 5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.701 -2.134 6.161 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.175 -1.435 8.095 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.468 -2.396 7.404 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.435 -4.340 8.169 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.178 -1.627 8.255 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.943 -2.531 9.137 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -4.846 -5.495 9.303 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.320 -4.713 9.728 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.578 0.581 2.339 1.00 0.00 N ATOM 1748 CA ILE A 111 -7.232 1.639 1.581 1.00 0.00 C ATOM 1749 C ILE A 111 -8.712 1.333 1.373 1.00 0.00 C ATOM 1750 O ILE A 111 -9.115 0.170 1.331 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.564 1.844 0.208 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -5.104 2.266 0.385 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -7.326 2.882 -0.602 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -4.308 2.240 -0.901 1.00 0.00 C ATOM 0 H ILE A 111 -6.526 -0.315 1.854 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.131 2.554 2.165 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.587 0.899 -0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.073 3.273 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.629 1.606 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.842 3.016 -1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.351 2.545 -0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.331 3.830 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.283 2.551 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.308 1.229 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.759 2.922 -1.622 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.515 2.383 1.240 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.950 2.226 1.036 1.00 0.00 C ATOM 1768 C ARG A 112 -11.449 3.165 -0.058 1.00 0.00 C ATOM 1769 O ARG A 112 -11.141 4.357 -0.057 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.705 2.497 2.338 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.215 2.548 2.168 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.932 2.369 3.497 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.346 2.053 3.318 1.00 0.00 N ATOM 1774 CZ ARG A 112 -16.136 1.636 4.301 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -15.653 1.486 5.526 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -17.413 1.369 4.059 1.00 0.00 N ATOM 0 H ARG A 112 -9.197 3.352 1.270 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.137 1.199 0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.455 1.720 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.363 3.444 2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.500 3.502 1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.531 1.768 1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.451 1.571 4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.836 3.281 4.086 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.749 2.158 2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.672 1.691 5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.262 1.166 6.279 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.789 1.484 3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.019 1.049 4.814 1.00 0.00 H new ATOM 1790 N VAL A 113 -12.222 2.619 -0.992 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.765 3.407 -2.092 1.00 0.00 C ATOM 1792 C VAL A 113 -14.279 3.542 -1.977 1.00 0.00 C ATOM 1793 O VAL A 113 -14.997 2.546 -1.893 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.418 2.781 -3.456 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -13.125 3.523 -4.580 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.912 2.779 -3.673 1.00 0.00 C ATOM 0 H VAL A 113 -12.486 1.634 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.310 4.395 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.765 1.748 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.868 3.066 -5.536 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -14.203 3.468 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.811 4.567 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.685 2.333 -4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.539 3.803 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.432 2.199 -2.885 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.759 4.782 -1.976 1.00 0.00 N ATOM 1807 CA VAL A 114 -16.189 5.048 -1.873 1.00 0.00 C ATOM 1808 C VAL A 114 -16.752 5.542 -3.201 1.00 0.00 C ATOM 1809 O VAL A 114 -16.115 6.327 -3.902 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.489 6.091 -0.780 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -16.005 5.598 0.575 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.851 7.426 -1.130 1.00 0.00 C ATOM 0 H VAL A 114 -14.178 5.618 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.668 4.106 -1.606 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.568 6.234 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.225 6.348 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.513 4.667 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.929 5.426 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -16.073 8.152 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.771 7.302 -1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -16.251 7.783 -2.079 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.951 5.077 -3.538 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.601 5.473 -4.782 1.00 0.00 C ATOM 1824 C GLU A 115 -18.743 6.990 -4.864 1.00 0.00 C ATOM 1825 O GLU A 115 -18.815 7.674 -3.843 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.977 4.814 -4.897 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.922 3.364 -5.346 1.00 0.00 C ATOM 1828 CD GLU A 115 -21.291 2.805 -5.683 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -22.019 2.415 -4.746 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -21.634 2.757 -6.883 1.00 0.00 O ATOM 0 H GLU A 115 -18.491 4.426 -2.968 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.976 5.139 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.478 4.867 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.584 5.381 -5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.275 3.282 -6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.471 2.760 -4.558 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.781 7.510 -6.086 1.00 0.00 N ATOM 1838 CA LYS A 116 -18.915 8.946 -6.303 1.00 0.00 C ATOM 1839 C LYS A 116 -20.354 9.398 -6.080 1.00 0.00 C ATOM 1840 O LYS A 116 -21.281 8.589 -6.111 1.00 0.00 O ATOM 1841 CB LYS A 116 -18.468 9.311 -7.720 1.00 0.00 C ATOM 1842 CG LYS A 116 -19.406 8.807 -8.803 1.00 0.00 C ATOM 1843 CD LYS A 116 -18.669 8.560 -10.109 1.00 0.00 C ATOM 1844 CE LYS A 116 -19.499 7.720 -11.067 1.00 0.00 C ATOM 1845 NZ LYS A 116 -18.877 7.641 -12.418 1.00 0.00 N ATOM 0 H LYS A 116 -18.721 6.958 -6.942 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.277 9.459 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -18.386 10.395 -7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.473 8.903 -7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -19.882 7.884 -8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -20.201 9.535 -8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -18.426 9.514 -10.577 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -17.725 8.055 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -19.615 6.715 -10.661 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -20.498 8.147 -11.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -19.473 7.060 -13.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -18.789 8.598 -12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -17.934 7.210 -12.341 1.00 0.00 H new ATOM 1859 N ALA A 117 -20.534 10.696 -5.856 1.00 0.00 N ATOM 1860 CA ALA A 117 -21.861 11.255 -5.631 1.00 0.00 C ATOM 1861 C ALA A 117 -22.551 11.580 -6.952 1.00 0.00 C ATOM 1862 O ALA A 117 -21.955 12.183 -7.843 1.00 0.00 O ATOM 1863 CB ALA A 117 -21.768 12.501 -4.762 1.00 0.00 C ATOM 0 H ALA A 117 -19.777 11.380 -5.826 1.00 0.00 H new ATOM 0 HA ALA A 117 -22.460 10.507 -5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -22.766 12.908 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -21.323 12.242 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -21.148 13.246 -5.260 1.00 0.00 H new ATOM 1869 N GLY A 118 -23.811 11.175 -7.071 1.00 0.00 N ATOM 1870 CA GLY A 118 -24.561 11.431 -8.287 1.00 0.00 C ATOM 1871 C GLY A 118 -25.942 11.991 -8.010 1.00 0.00 C ATOM 1872 O GLY A 118 -26.138 13.207 -8.014 1.00 0.00 O ATOM 0 H GLY A 118 -24.326 10.674 -6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -24.007 12.132 -8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -24.655 10.505 -8.854 1.00 0.00 H new TER 1876 GLY A 118