USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 907 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 107 THR OG1 : rot -148:sc= 0.139 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -0.0192 X(o=0.12,f=0.14) USER MOD Set 2.1: A 69 THR OG1 : rot -65:sc= 1.15 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.0383 USER MOD Single : A 1 SER N :NH3+ -121:sc= 0.0542 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -61:sc= 0.933 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -0.831 F(o=-2.1,f=-0.83) USER MOD Single : A 15 ASN : amide:sc= -0.385 K(o=-0.38,f=-1.5!) USER MOD Single : A 19 SER OG : rot -32:sc= 0.907 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 171:sc= 0.839 USER MOD Single : A 26 THR OG1 : rot -17:sc= 0.881 USER MOD Single : A 28 THR OG1 : rot -107:sc= 0.819 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0847 USER MOD Single : A 38 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.43) USER MOD Single : A 40 MET CE :methyl 169:sc= -0.0169 (180deg=-0.202) USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= 0.37 (180deg=0.0414) USER MOD Single : A 47 GLN : amide:sc= 0.0535 X(o=0.053,f=-0.42) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0364 X(o=-0.036,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -6.79! C(o=-6.8!,f=-6.6!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.839 K(o=-0.84,f=-4.1!) USER MOD Single : A 90 GLN : amide:sc= -0.0439 K(o=-0.044,f=-0.72) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 150:sc= 0.0052 USER MOD Single : A 104 ASN : amide:sc= -1.8 K(o=-1.8,f=-6.6!) USER MOD Single : A 116 SER OG : rot -49:sc= 0.268 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -30.106 -8.687 5.420 1.00 0.00 N ATOM 2 CA SER A 1 -29.116 -8.509 6.519 1.00 0.00 C ATOM 3 C SER A 1 -28.737 -7.030 6.629 1.00 0.00 C ATOM 4 O SER A 1 -28.832 -6.290 5.664 1.00 0.00 O ATOM 5 CB SER A 1 -27.865 -9.335 6.218 1.00 0.00 C ATOM 6 OG SER A 1 -27.180 -9.612 7.432 1.00 0.00 O ATOM 0 H1 SER A 1 -30.978 -9.104 5.803 1.00 0.00 H new ATOM 0 H2 SER A 1 -30.322 -7.763 4.994 1.00 0.00 H new ATOM 0 H3 SER A 1 -29.710 -9.318 4.695 1.00 0.00 H new ATOM 0 HA SER A 1 -29.554 -8.843 7.460 1.00 0.00 H new ATOM 0 HB2 SER A 1 -28.141 -10.266 5.722 1.00 0.00 H new ATOM 0 HB3 SER A 1 -27.212 -8.791 5.535 1.00 0.00 H new ATOM 0 HG SER A 1 -26.379 -10.143 7.242 1.00 0.00 H new ATOM 14 N VAL A 2 -28.317 -6.602 7.805 1.00 0.00 N ATOM 15 CA VAL A 2 -27.927 -5.164 8.030 1.00 0.00 C ATOM 16 C VAL A 2 -27.025 -4.650 6.889 1.00 0.00 C ATOM 17 O VAL A 2 -27.225 -3.553 6.394 1.00 0.00 O ATOM 18 CB VAL A 2 -27.182 -5.045 9.363 1.00 0.00 C ATOM 19 CG1 VAL A 2 -28.119 -5.428 10.510 1.00 0.00 C ATOM 20 CG2 VAL A 2 -25.975 -5.986 9.360 1.00 0.00 C ATOM 0 H VAL A 2 -28.227 -7.197 8.629 1.00 0.00 H new ATOM 0 HA VAL A 2 -28.833 -4.558 8.051 1.00 0.00 H new ATOM 0 HB VAL A 2 -26.844 -4.017 9.496 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -27.588 -5.343 11.458 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -28.980 -4.759 10.515 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -28.458 -6.455 10.375 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -25.445 -5.901 10.309 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -26.315 -7.013 9.225 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -25.305 -5.715 8.544 1.00 0.00 H new ATOM 30 N GLY A 3 -26.046 -5.436 6.478 1.00 0.00 N ATOM 31 CA GLY A 3 -25.128 -5.011 5.371 1.00 0.00 C ATOM 32 C GLY A 3 -23.758 -5.678 5.553 1.00 0.00 C ATOM 33 O GLY A 3 -23.575 -6.492 6.444 1.00 0.00 O ATOM 0 H GLY A 3 -25.847 -6.357 6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -25.553 -5.288 4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -25.019 -3.927 5.372 1.00 0.00 H new ATOM 37 N THR A 4 -22.801 -5.336 4.710 1.00 0.00 N ATOM 38 CA THR A 4 -21.432 -5.937 4.811 1.00 0.00 C ATOM 39 C THR A 4 -20.393 -4.932 4.272 1.00 0.00 C ATOM 40 O THR A 4 -19.574 -5.251 3.418 1.00 0.00 O ATOM 41 CB THR A 4 -21.395 -7.242 4.004 1.00 0.00 C ATOM 42 OG1 THR A 4 -20.068 -7.748 3.984 1.00 0.00 O ATOM 43 CG2 THR A 4 -21.860 -6.973 2.573 1.00 0.00 C ATOM 0 H THR A 4 -22.916 -4.662 3.953 1.00 0.00 H new ATOM 0 HA THR A 4 -21.194 -6.160 5.851 1.00 0.00 H new ATOM 0 HB THR A 4 -22.057 -7.974 4.468 1.00 0.00 H new ATOM 0 HG1 THR A 4 -19.477 -7.100 3.547 1.00 0.00 H new ATOM 0 HG21 THR A 4 -21.833 -7.901 2.001 1.00 0.00 H new ATOM 0 HG22 THR A 4 -22.879 -6.585 2.588 1.00 0.00 H new ATOM 0 HG23 THR A 4 -21.200 -6.241 2.108 1.00 0.00 H new ATOM 51 N SER A 5 -20.428 -3.717 4.780 1.00 0.00 N ATOM 52 CA SER A 5 -19.463 -2.660 4.332 1.00 0.00 C ATOM 53 C SER A 5 -18.026 -3.131 4.578 1.00 0.00 C ATOM 54 O SER A 5 -17.796 -4.285 4.902 1.00 0.00 O ATOM 55 CB SER A 5 -19.720 -1.374 5.119 1.00 0.00 C ATOM 56 OG SER A 5 -19.517 -1.622 6.504 1.00 0.00 O ATOM 0 H SER A 5 -21.091 -3.413 5.493 1.00 0.00 H new ATOM 0 HA SER A 5 -19.601 -2.473 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.050 -0.585 4.777 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.738 -1.025 4.946 1.00 0.00 H new ATOM 0 HG SER A 5 -19.679 -0.799 7.011 1.00 0.00 H new ATOM 62 N CYS A 6 -17.066 -2.241 4.419 1.00 0.00 N ATOM 63 CA CYS A 6 -15.630 -2.608 4.630 1.00 0.00 C ATOM 64 C CYS A 6 -15.280 -2.502 6.117 1.00 0.00 C ATOM 65 O CYS A 6 -15.375 -1.437 6.707 1.00 0.00 O ATOM 66 CB CYS A 6 -14.737 -1.660 3.829 1.00 0.00 C ATOM 67 SG CYS A 6 -14.747 -2.159 2.090 1.00 0.00 S ATOM 0 H CYS A 6 -17.222 -1.270 4.150 1.00 0.00 H new ATOM 0 HA CYS A 6 -15.469 -3.632 4.294 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -15.094 -0.635 3.927 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -13.720 -1.682 4.220 1.00 0.00 H new ATOM 72 N ILE A 7 -14.877 -3.603 6.714 1.00 0.00 N ATOM 73 CA ILE A 7 -14.509 -3.615 8.162 1.00 0.00 C ATOM 74 C ILE A 7 -13.047 -4.098 8.294 1.00 0.00 C ATOM 75 O ILE A 7 -12.665 -5.014 7.586 1.00 0.00 O ATOM 76 CB ILE A 7 -15.461 -4.572 8.899 1.00 0.00 C ATOM 77 CG1 ILE A 7 -15.130 -4.592 10.394 1.00 0.00 C ATOM 78 CG2 ILE A 7 -15.338 -5.991 8.321 1.00 0.00 C ATOM 79 CD1 ILE A 7 -15.813 -3.407 11.084 1.00 0.00 C ATOM 0 H ILE A 7 -14.788 -4.506 6.247 1.00 0.00 H new ATOM 0 HA ILE A 7 -14.596 -2.619 8.597 1.00 0.00 H new ATOM 0 HB ILE A 7 -16.484 -4.221 8.764 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -15.466 -5.529 10.839 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -14.051 -4.539 10.539 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -16.017 -6.660 8.851 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -15.596 -5.976 7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -14.314 -6.345 8.440 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -15.578 -3.421 12.148 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -15.456 -2.475 10.645 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -16.892 -3.481 10.950 1.00 0.00 H new ATOM 91 N PRO A 8 -12.256 -3.480 9.172 1.00 0.00 N ATOM 92 CA PRO A 8 -10.840 -3.872 9.352 1.00 0.00 C ATOM 93 C PRO A 8 -10.739 -5.174 10.164 1.00 0.00 C ATOM 94 O PRO A 8 -11.674 -5.551 10.851 1.00 0.00 O ATOM 95 CB PRO A 8 -10.224 -2.694 10.111 1.00 0.00 C ATOM 96 CG PRO A 8 -11.393 -1.965 10.811 1.00 0.00 C ATOM 97 CD PRO A 8 -12.678 -2.359 10.057 1.00 0.00 C ATOM 0 HA PRO A 8 -10.330 -4.068 8.409 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.492 -3.042 10.840 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.701 -2.024 9.429 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.456 -2.254 11.860 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.246 -0.885 10.786 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.464 -2.670 10.745 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.073 -1.523 9.479 1.00 0.00 H new ATOM 105 N GLY A 9 -9.612 -5.863 10.074 1.00 0.00 N ATOM 106 CA GLY A 9 -9.427 -7.152 10.821 1.00 0.00 C ATOM 107 C GLY A 9 -10.188 -8.297 10.125 1.00 0.00 C ATOM 108 O GLY A 9 -10.184 -9.419 10.603 1.00 0.00 O ATOM 0 H GLY A 9 -8.811 -5.580 9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.366 -7.396 10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.785 -7.040 11.845 1.00 0.00 H new ATOM 112 N MET A 10 -10.830 -8.022 9.002 1.00 0.00 N ATOM 113 CA MET A 10 -11.588 -9.076 8.256 1.00 0.00 C ATOM 114 C MET A 10 -11.211 -8.969 6.755 1.00 0.00 C ATOM 115 O MET A 10 -11.662 -8.048 6.098 1.00 0.00 O ATOM 116 CB MET A 10 -13.089 -8.817 8.420 1.00 0.00 C ATOM 117 CG MET A 10 -13.492 -9.058 9.877 1.00 0.00 C ATOM 118 SD MET A 10 -13.782 -10.826 10.137 1.00 0.00 S ATOM 119 CE MET A 10 -15.274 -10.669 11.150 1.00 0.00 C ATOM 0 H MET A 10 -10.857 -7.098 8.571 1.00 0.00 H new ATOM 0 HA MET A 10 -11.345 -10.068 8.637 1.00 0.00 H new ATOM 0 HB2 MET A 10 -13.326 -7.793 8.130 1.00 0.00 H new ATOM 0 HB3 MET A 10 -13.656 -9.474 7.761 1.00 0.00 H new ATOM 0 HG2 MET A 10 -12.707 -8.705 10.546 1.00 0.00 H new ATOM 0 HG3 MET A 10 -14.392 -8.492 10.115 1.00 0.00 H new ATOM 0 HE1 MET A 10 -15.631 -11.661 11.428 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.044 -10.100 12.051 1.00 0.00 H new ATOM 0 HE3 MET A 10 -16.047 -10.152 10.582 1.00 0.00 H new ATOM 129 N ALA A 11 -10.369 -9.870 6.216 1.00 0.00 N ATOM 130 CA ALA A 11 -9.926 -9.803 4.769 1.00 0.00 C ATOM 131 C ALA A 11 -8.693 -8.895 4.690 1.00 0.00 C ATOM 132 O ALA A 11 -7.638 -9.314 4.248 1.00 0.00 O ATOM 133 CB ALA A 11 -11.031 -9.272 3.840 1.00 0.00 C ATOM 0 H ALA A 11 -9.973 -10.653 6.736 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.692 -10.812 4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.662 -9.244 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.899 -9.928 3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.316 -8.267 4.151 1.00 0.00 H new ATOM 139 N ILE A 12 -8.825 -7.667 5.146 1.00 0.00 N ATOM 140 CA ILE A 12 -7.685 -6.700 5.159 1.00 0.00 C ATOM 141 C ILE A 12 -7.124 -6.667 6.599 1.00 0.00 C ATOM 142 O ILE A 12 -7.760 -6.084 7.461 1.00 0.00 O ATOM 143 CB ILE A 12 -8.194 -5.307 4.773 1.00 0.00 C ATOM 144 CG1 ILE A 12 -8.947 -5.388 3.445 1.00 0.00 C ATOM 145 CG2 ILE A 12 -7.008 -4.351 4.631 1.00 0.00 C ATOM 146 CD1 ILE A 12 -9.642 -4.053 3.171 1.00 0.00 C ATOM 0 H ILE A 12 -9.697 -7.291 5.517 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.912 -6.999 4.451 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.866 -4.939 5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.255 -5.623 2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.682 -6.192 3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.370 -3.360 4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.473 -4.292 5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.335 -4.719 3.857 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.179 -4.110 2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.346 -3.837 3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.897 -3.259 3.118 1.00 0.00 H new ATOM 158 N PRO A 13 -5.996 -7.334 6.863 1.00 0.00 N ATOM 159 CA PRO A 13 -5.443 -7.409 8.230 1.00 0.00 C ATOM 160 C PRO A 13 -4.649 -6.154 8.593 1.00 0.00 C ATOM 161 O PRO A 13 -4.434 -5.280 7.770 1.00 0.00 O ATOM 162 CB PRO A 13 -4.540 -8.641 8.192 1.00 0.00 C ATOM 163 CG PRO A 13 -4.179 -8.882 6.706 1.00 0.00 C ATOM 164 CD PRO A 13 -5.161 -8.048 5.860 1.00 0.00 C ATOM 0 HA PRO A 13 -6.224 -7.478 8.987 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.641 -8.481 8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.050 -9.508 8.612 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.150 -8.584 6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.259 -9.940 6.457 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.633 -7.349 5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.769 -8.683 5.216 1.00 0.00 H new ATOM 172 N HIS A 14 -4.229 -6.075 9.837 1.00 0.00 N ATOM 173 CA HIS A 14 -3.459 -4.910 10.332 1.00 0.00 C ATOM 174 C HIS A 14 -2.000 -5.000 9.816 1.00 0.00 C ATOM 175 O HIS A 14 -1.465 -6.086 9.678 1.00 0.00 O ATOM 176 CB HIS A 14 -3.470 -4.971 11.867 1.00 0.00 C ATOM 177 CG HIS A 14 -4.886 -5.030 12.394 1.00 0.00 C ATOM 178 ND1 HIS A 14 -5.812 -6.042 12.417 1.00 0.00 N flip ATOM 179 CD2 HIS A 14 -5.490 -3.954 13.038 1.00 0.00 C flip ATOM 180 CE1 HIS A 14 -6.969 -5.611 13.063 1.00 0.00 C flip ATOM 181 NE2 HIS A 14 -6.725 -4.348 13.419 1.00 0.00 N flip ATOM 0 H HIS A 14 -4.398 -6.795 10.540 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.897 -3.976 9.981 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.915 -5.847 12.204 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.962 -4.096 12.273 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -5.674 -6.972 12.020 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.051 -2.981 13.203 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.871 -6.178 13.238 1.00 0.00 H new ATOM 189 N ASN A 15 -1.353 -3.869 9.545 1.00 0.00 N ATOM 190 CA ASN A 15 0.074 -3.868 9.056 1.00 0.00 C ATOM 191 C ASN A 15 0.192 -4.462 7.621 1.00 0.00 C ATOM 192 O ASN A 15 0.947 -5.402 7.406 1.00 0.00 O ATOM 193 CB ASN A 15 0.943 -4.664 10.046 1.00 0.00 C ATOM 194 CG ASN A 15 2.414 -4.286 9.858 1.00 0.00 C ATOM 195 OD1 ASN A 15 2.888 -4.171 8.745 1.00 0.00 O ATOM 196 ND2 ASN A 15 3.164 -4.089 10.908 1.00 0.00 N ATOM 0 H ASN A 15 -1.764 -2.941 9.645 1.00 0.00 H new ATOM 0 HA ASN A 15 0.424 -2.837 9.003 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.631 -4.454 11.069 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.809 -5.734 9.885 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.146 -3.839 10.793 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.768 -4.185 11.843 1.00 0.00 H new ATOM 203 N PRO A 16 -0.533 -3.891 6.660 1.00 0.00 N ATOM 204 CA PRO A 16 -0.482 -4.354 5.254 1.00 0.00 C ATOM 205 C PRO A 16 0.694 -3.709 4.502 1.00 0.00 C ATOM 206 O PRO A 16 1.327 -2.786 4.986 1.00 0.00 O ATOM 207 CB PRO A 16 -1.794 -3.842 4.658 1.00 0.00 C ATOM 208 CG PRO A 16 -2.224 -2.636 5.527 1.00 0.00 C ATOM 209 CD PRO A 16 -1.483 -2.766 6.870 1.00 0.00 C ATOM 0 HA PRO A 16 -0.353 -5.434 5.183 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.659 -3.544 3.618 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.556 -4.621 4.669 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.971 -1.696 5.036 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.303 -2.635 5.680 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.959 -1.845 7.125 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.174 -2.976 7.686 1.00 0.00 H new ATOM 217 N LEU A 17 0.945 -4.183 3.302 1.00 0.00 N ATOM 218 CA LEU A 17 2.031 -3.626 2.426 1.00 0.00 C ATOM 219 C LEU A 17 3.355 -3.425 3.198 1.00 0.00 C ATOM 220 O LEU A 17 4.009 -2.396 3.073 1.00 0.00 O ATOM 221 CB LEU A 17 1.549 -2.291 1.835 1.00 0.00 C ATOM 222 CG LEU A 17 0.195 -2.490 1.150 1.00 0.00 C ATOM 223 CD1 LEU A 17 -0.427 -1.128 0.838 1.00 0.00 C ATOM 224 CD2 LEU A 17 0.393 -3.269 -0.154 1.00 0.00 C ATOM 0 H LEU A 17 0.427 -4.955 2.882 1.00 0.00 H new ATOM 0 HA LEU A 17 2.236 -4.342 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.462 -1.543 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.279 -1.915 1.118 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.467 -3.048 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.391 -1.271 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.568 -0.572 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.235 -0.569 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.571 -3.411 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.056 -2.710 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.835 -4.241 0.066 1.00 0.00 H new ATOM 236 N ASP A 18 3.766 -4.412 3.967 1.00 0.00 N ATOM 237 CA ASP A 18 5.062 -4.298 4.724 1.00 0.00 C ATOM 238 C ASP A 18 6.229 -4.491 3.748 1.00 0.00 C ATOM 239 O ASP A 18 7.219 -3.750 3.769 1.00 0.00 O ATOM 240 CB ASP A 18 5.124 -5.359 5.829 1.00 0.00 C ATOM 241 CG ASP A 18 4.916 -6.749 5.225 1.00 0.00 C ATOM 242 OD1 ASP A 18 5.870 -7.292 4.695 1.00 0.00 O ATOM 243 OD2 ASP A 18 3.806 -7.248 5.306 1.00 0.00 O ATOM 0 H ASP A 18 3.263 -5.289 4.103 1.00 0.00 H new ATOM 0 HA ASP A 18 5.128 -3.313 5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.088 -5.313 6.336 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.359 -5.160 6.580 1.00 0.00 H new ATOM 248 N SER A 19 6.095 -5.464 2.874 1.00 0.00 N ATOM 249 CA SER A 19 7.150 -5.734 1.854 1.00 0.00 C ATOM 250 C SER A 19 7.262 -4.519 0.936 1.00 0.00 C ATOM 251 O SER A 19 8.305 -4.269 0.360 1.00 0.00 O ATOM 252 CB SER A 19 6.777 -6.970 1.034 1.00 0.00 C ATOM 253 OG SER A 19 7.966 -7.626 0.611 1.00 0.00 O ATOM 0 H SER A 19 5.289 -6.087 2.828 1.00 0.00 H new ATOM 0 HA SER A 19 8.104 -5.917 2.347 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.167 -7.647 1.632 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.179 -6.681 0.169 1.00 0.00 H new ATOM 0 HG SER A 19 8.672 -6.962 0.467 1.00 0.00 H new ATOM 259 N CYS A 20 6.186 -3.765 0.806 1.00 0.00 N ATOM 260 CA CYS A 20 6.194 -2.551 -0.058 1.00 0.00 C ATOM 261 C CYS A 20 6.961 -1.433 0.649 1.00 0.00 C ATOM 262 O CYS A 20 7.634 -0.636 0.007 1.00 0.00 O ATOM 263 CB CYS A 20 4.755 -2.112 -0.321 1.00 0.00 C ATOM 264 SG CYS A 20 3.796 -3.530 -0.913 1.00 0.00 S ATOM 0 H CYS A 20 5.297 -3.950 1.271 1.00 0.00 H new ATOM 0 HA CYS A 20 6.681 -2.774 -1.008 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.311 -1.714 0.592 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.736 -1.311 -1.060 1.00 0.00 H new ATOM 269 N ARG A 21 6.864 -1.371 1.967 1.00 0.00 N ATOM 270 CA ARG A 21 7.580 -0.305 2.728 1.00 0.00 C ATOM 271 C ARG A 21 9.111 -0.554 2.645 1.00 0.00 C ATOM 272 O ARG A 21 9.877 0.374 2.340 1.00 0.00 O ATOM 273 CB ARG A 21 7.045 -0.241 4.190 1.00 0.00 C ATOM 274 CG ARG A 21 7.974 0.597 5.089 1.00 0.00 C ATOM 275 CD ARG A 21 8.592 -0.292 6.171 1.00 0.00 C ATOM 276 NE ARG A 21 9.199 0.567 7.231 1.00 0.00 N ATOM 277 CZ ARG A 21 8.872 0.397 8.486 1.00 0.00 C ATOM 278 NH1 ARG A 21 8.657 -0.803 8.954 1.00 0.00 N ATOM 279 NH2 ARG A 21 8.760 1.432 9.274 1.00 0.00 N ATOM 0 H ARG A 21 6.318 -2.016 2.538 1.00 0.00 H new ATOM 0 HA ARG A 21 7.389 0.674 2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.044 0.191 4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.959 -1.250 4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.760 1.054 4.488 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.412 1.409 5.550 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.830 -0.940 6.604 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.351 -0.941 5.734 1.00 0.00 H new ATOM 0 HE ARG A 21 9.872 1.290 6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.744 -1.613 8.340 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.402 -0.930 9.933 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.927 2.370 8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.505 1.302 10.253 1.00 0.00 H new ATOM 293 N TRP A 22 9.576 -1.787 2.864 1.00 0.00 N ATOM 294 CA TRP A 22 11.058 -2.030 2.758 1.00 0.00 C ATOM 295 C TRP A 22 11.475 -1.967 1.292 1.00 0.00 C ATOM 296 O TRP A 22 12.599 -1.601 0.977 1.00 0.00 O ATOM 297 CB TRP A 22 11.477 -3.381 3.333 1.00 0.00 C ATOM 298 CG TRP A 22 11.579 -3.259 4.801 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.895 -3.975 5.693 1.00 0.00 C ATOM 300 CD2 TRP A 22 12.422 -2.368 5.540 1.00 0.00 C ATOM 301 NE1 TRP A 22 11.266 -3.574 6.968 1.00 0.00 N ATOM 302 CE2 TRP A 22 12.219 -2.573 6.918 1.00 0.00 C ATOM 303 CE3 TRP A 22 13.335 -1.414 5.127 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.917 -1.830 7.873 1.00 0.00 C ATOM 305 CZ3 TRP A 22 14.049 -0.655 6.071 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.839 -0.865 7.446 1.00 0.00 C ATOM 0 H TRP A 22 9.008 -2.600 3.102 1.00 0.00 H new ATOM 0 HA TRP A 22 11.554 -1.255 3.342 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.749 -4.147 3.067 1.00 0.00 H new ATOM 0 HB3 TRP A 22 12.434 -3.691 2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 22 10.171 -4.742 5.461 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.886 -3.966 7.829 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.500 -1.251 4.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.748 -1.997 8.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.759 0.089 5.740 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.388 -0.283 8.172 1.00 0.00 H new ATOM 317 N TYR A 23 10.572 -2.319 0.399 1.00 0.00 N ATOM 318 CA TYR A 23 10.889 -2.285 -1.055 1.00 0.00 C ATOM 319 C TYR A 23 11.129 -0.836 -1.463 1.00 0.00 C ATOM 320 O TYR A 23 11.953 -0.573 -2.320 1.00 0.00 O ATOM 321 CB TYR A 23 9.749 -2.896 -1.872 1.00 0.00 C ATOM 322 CG TYR A 23 10.157 -2.961 -3.324 1.00 0.00 C ATOM 323 CD1 TYR A 23 11.279 -3.710 -3.705 1.00 0.00 C ATOM 324 CD2 TYR A 23 9.420 -2.266 -4.289 1.00 0.00 C ATOM 325 CE1 TYR A 23 11.661 -3.762 -5.050 1.00 0.00 C ATOM 326 CE2 TYR A 23 9.802 -2.321 -5.634 1.00 0.00 C ATOM 327 CZ TYR A 23 10.924 -3.067 -6.015 1.00 0.00 C ATOM 328 OH TYR A 23 11.300 -3.118 -7.341 1.00 0.00 O ATOM 0 H TYR A 23 9.627 -2.629 0.625 1.00 0.00 H new ATOM 0 HA TYR A 23 11.784 -2.876 -1.251 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.516 -3.895 -1.503 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.845 -2.296 -1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.848 -4.247 -2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.557 -1.687 -3.996 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.525 -4.339 -5.343 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.231 -1.787 -6.379 1.00 0.00 H new ATOM 0 HH TYR A 23 10.680 -2.581 -7.878 1.00 0.00 H new ATOM 338 N VAL A 24 10.446 0.112 -0.831 1.00 0.00 N ATOM 339 CA VAL A 24 10.692 1.547 -1.167 1.00 0.00 C ATOM 340 C VAL A 24 12.058 1.908 -0.615 1.00 0.00 C ATOM 341 O VAL A 24 12.815 2.607 -1.253 1.00 0.00 O ATOM 342 CB VAL A 24 9.663 2.476 -0.525 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.943 3.919 -0.978 1.00 0.00 C ATOM 344 CG2 VAL A 24 8.243 2.060 -0.934 1.00 0.00 C ATOM 0 H VAL A 24 9.743 -0.054 -0.111 1.00 0.00 H new ATOM 0 HA VAL A 24 10.625 1.669 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 24 9.740 2.411 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.214 4.591 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.946 4.210 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.868 3.981 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.520 2.730 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.146 2.116 -2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.054 1.038 -0.605 1.00 0.00 H new ATOM 354 N SER A 25 12.369 1.438 0.579 1.00 0.00 N ATOM 355 CA SER A 25 13.703 1.760 1.190 1.00 0.00 C ATOM 356 C SER A 25 14.840 1.338 0.237 1.00 0.00 C ATOM 357 O SER A 25 15.849 2.021 0.121 1.00 0.00 O ATOM 358 CB SER A 25 13.869 1.014 2.519 1.00 0.00 C ATOM 359 OG SER A 25 12.611 0.911 3.178 1.00 0.00 O ATOM 0 H SER A 25 11.761 0.851 1.150 1.00 0.00 H new ATOM 0 HA SER A 25 13.750 2.835 1.364 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.277 0.020 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.580 1.541 3.155 1.00 0.00 H new ATOM 0 HG SER A 25 12.695 0.317 3.953 1.00 0.00 H new ATOM 365 N THR A 26 14.683 0.202 -0.419 1.00 0.00 N ATOM 366 CA THR A 26 15.746 -0.330 -1.347 1.00 0.00 C ATOM 367 C THR A 26 15.761 0.395 -2.710 1.00 0.00 C ATOM 368 O THR A 26 16.808 0.821 -3.162 1.00 0.00 O ATOM 369 CB THR A 26 15.502 -1.839 -1.552 1.00 0.00 C ATOM 370 OG1 THR A 26 15.576 -2.495 -0.294 1.00 0.00 O ATOM 371 CG2 THR A 26 16.554 -2.438 -2.495 1.00 0.00 C ATOM 0 H THR A 26 13.852 -0.386 -0.349 1.00 0.00 H new ATOM 0 HA THR A 26 16.720 -0.152 -0.890 1.00 0.00 H new ATOM 0 HB THR A 26 14.516 -1.978 -1.996 1.00 0.00 H new ATOM 0 HG1 THR A 26 16.020 -1.910 0.355 1.00 0.00 H new ATOM 0 HG21 THR A 26 16.362 -3.503 -2.625 1.00 0.00 H new ATOM 0 HG22 THR A 26 16.501 -1.939 -3.463 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.547 -2.298 -2.068 1.00 0.00 H new ATOM 379 N ARG A 27 14.634 0.501 -3.376 1.00 0.00 N ATOM 380 CA ARG A 27 14.591 1.164 -4.725 1.00 0.00 C ATOM 381 C ARG A 27 14.939 2.651 -4.608 1.00 0.00 C ATOM 382 O ARG A 27 15.357 3.266 -5.576 1.00 0.00 O ATOM 383 CB ARG A 27 13.190 1.025 -5.331 1.00 0.00 C ATOM 384 CG ARG A 27 13.303 0.889 -6.853 1.00 0.00 C ATOM 385 CD ARG A 27 13.810 -0.510 -7.211 1.00 0.00 C ATOM 386 NE ARG A 27 14.184 -0.549 -8.653 1.00 0.00 N ATOM 387 CZ ARG A 27 14.416 -1.694 -9.238 1.00 0.00 C ATOM 388 NH1 ARG A 27 15.544 -2.316 -9.030 1.00 0.00 N ATOM 389 NH2 ARG A 27 13.520 -2.217 -10.031 1.00 0.00 N ATOM 0 H ARG A 27 13.735 0.155 -3.042 1.00 0.00 H new ATOM 0 HA ARG A 27 15.323 0.675 -5.368 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.687 0.153 -4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.584 1.895 -5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.332 1.064 -7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.984 1.644 -7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.671 -0.765 -6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.039 -1.252 -7.004 1.00 0.00 H new ATOM 0 HE ARG A 27 14.259 0.319 -9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.245 -1.908 -8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.725 -3.210 -9.487 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.638 -1.732 -10.194 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.702 -3.111 -10.487 1.00 0.00 H new ATOM 403 N THR A 28 14.722 3.232 -3.450 1.00 0.00 N ATOM 404 CA THR A 28 14.980 4.693 -3.261 1.00 0.00 C ATOM 405 C THR A 28 16.392 4.961 -2.703 1.00 0.00 C ATOM 406 O THR A 28 17.179 5.643 -3.344 1.00 0.00 O ATOM 407 CB THR A 28 13.904 5.269 -2.318 1.00 0.00 C ATOM 408 OG1 THR A 28 14.058 4.729 -1.014 1.00 0.00 O ATOM 409 CG2 THR A 28 12.517 4.912 -2.855 1.00 0.00 C ATOM 0 H THR A 28 14.374 2.750 -2.621 1.00 0.00 H new ATOM 0 HA THR A 28 14.928 5.185 -4.232 1.00 0.00 H new ATOM 0 HB THR A 28 14.014 6.352 -2.270 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.338 4.088 -0.838 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.754 5.318 -2.191 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.393 5.335 -3.852 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.414 3.828 -2.906 1.00 0.00 H new ATOM 417 N CYS A 29 16.717 4.462 -1.519 1.00 0.00 N ATOM 418 CA CYS A 29 18.076 4.724 -0.922 1.00 0.00 C ATOM 419 C CYS A 29 19.018 3.533 -1.110 1.00 0.00 C ATOM 420 O CYS A 29 20.096 3.508 -0.538 1.00 0.00 O ATOM 421 CB CYS A 29 17.944 4.997 0.576 1.00 0.00 C ATOM 422 SG CYS A 29 16.477 5.998 0.915 1.00 0.00 S ATOM 0 H CYS A 29 16.100 3.887 -0.945 1.00 0.00 H new ATOM 0 HA CYS A 29 18.492 5.589 -1.438 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.880 4.054 1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.834 5.513 0.937 1.00 0.00 H new ATOM 427 N GLY A 30 18.615 2.543 -1.868 1.00 0.00 N ATOM 428 CA GLY A 30 19.477 1.324 -2.062 1.00 0.00 C ATOM 429 C GLY A 30 19.763 0.689 -0.689 1.00 0.00 C ATOM 430 O GLY A 30 20.759 0.007 -0.515 1.00 0.00 O ATOM 0 H GLY A 30 17.724 2.522 -2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.974 0.607 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.411 1.598 -2.552 1.00 0.00 H new ATOM 434 N VAL A 31 18.892 0.923 0.280 1.00 0.00 N ATOM 435 CA VAL A 31 19.085 0.359 1.658 1.00 0.00 C ATOM 436 C VAL A 31 17.903 -0.560 2.002 1.00 0.00 C ATOM 437 O VAL A 31 16.890 -0.551 1.321 1.00 0.00 O ATOM 438 CB VAL A 31 19.162 1.508 2.671 1.00 0.00 C ATOM 439 CG1 VAL A 31 19.578 0.964 4.039 1.00 0.00 C ATOM 440 CG2 VAL A 31 20.196 2.539 2.201 1.00 0.00 C ATOM 0 H VAL A 31 18.050 1.487 0.167 1.00 0.00 H new ATOM 0 HA VAL A 31 20.010 -0.216 1.694 1.00 0.00 H new ATOM 0 HB VAL A 31 18.183 1.981 2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 31 19.631 1.784 4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.844 0.233 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 31 20.555 0.487 3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 31 20.250 3.355 2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 31 21.173 2.063 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.901 2.933 1.228 1.00 0.00 H new ATOM 450 N GLY A 32 18.042 -1.364 3.039 1.00 0.00 N ATOM 451 CA GLY A 32 16.953 -2.317 3.435 1.00 0.00 C ATOM 452 C GLY A 32 17.592 -3.703 3.711 1.00 0.00 C ATOM 453 O GLY A 32 18.803 -3.819 3.586 1.00 0.00 O ATOM 0 H GLY A 32 18.872 -1.398 3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.436 -1.954 4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.209 -2.393 2.642 1.00 0.00 H new ATOM 457 N PRO A 33 16.808 -4.739 4.064 1.00 0.00 N ATOM 458 CA PRO A 33 17.404 -6.076 4.313 1.00 0.00 C ATOM 459 C PRO A 33 18.012 -6.621 3.013 1.00 0.00 C ATOM 460 O PRO A 33 17.856 -6.020 1.960 1.00 0.00 O ATOM 461 CB PRO A 33 16.233 -6.919 4.841 1.00 0.00 C ATOM 462 CG PRO A 33 14.948 -6.203 4.389 1.00 0.00 C ATOM 463 CD PRO A 33 15.318 -4.716 4.236 1.00 0.00 C ATOM 0 HA PRO A 33 18.225 -6.073 5.030 1.00 0.00 H new ATOM 0 HB2 PRO A 33 16.274 -7.933 4.443 1.00 0.00 H new ATOM 0 HB3 PRO A 33 16.271 -7.001 5.927 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.584 -6.613 3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.151 -6.333 5.122 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.822 -4.266 3.376 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.024 -4.138 5.112 1.00 0.00 H new ATOM 471 N ARG A 34 18.733 -7.725 3.084 1.00 0.00 N ATOM 472 CA ARG A 34 19.392 -8.281 1.859 1.00 0.00 C ATOM 473 C ARG A 34 18.478 -9.315 1.192 1.00 0.00 C ATOM 474 O ARG A 34 18.638 -10.517 1.345 1.00 0.00 O ATOM 475 CB ARG A 34 20.735 -8.921 2.244 1.00 0.00 C ATOM 476 CG ARG A 34 21.665 -7.855 2.841 1.00 0.00 C ATOM 477 CD ARG A 34 23.063 -7.988 2.232 1.00 0.00 C ATOM 478 NE ARG A 34 23.112 -7.251 0.938 1.00 0.00 N ATOM 479 CZ ARG A 34 24.030 -7.538 0.057 1.00 0.00 C ATOM 480 NH1 ARG A 34 25.292 -7.452 0.378 1.00 0.00 N ATOM 481 NH2 ARG A 34 23.687 -7.911 -1.146 1.00 0.00 N ATOM 0 H ARG A 34 18.890 -8.260 3.938 1.00 0.00 H new ATOM 0 HA ARG A 34 19.574 -7.474 1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 34 20.573 -9.722 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 34 21.199 -9.372 1.367 1.00 0.00 H new ATOM 0 HG2 ARG A 34 21.266 -6.860 2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 34 21.717 -7.970 3.924 1.00 0.00 H new ATOM 0 HD2 ARG A 34 23.810 -7.589 2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 34 23.304 -9.039 2.074 1.00 0.00 H new ATOM 0 HE ARG A 34 22.427 -6.521 0.741 1.00 0.00 H new ATOM 0 HH11 ARG A 34 25.560 -7.160 1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 34 26.010 -7.676 -0.311 1.00 0.00 H new ATOM 0 HH21 ARG A 34 22.701 -7.978 -1.397 1.00 0.00 H new ATOM 0 HH22 ARG A 34 24.405 -8.135 -1.835 1.00 0.00 H new ATOM 495 N LEU A 35 17.524 -8.825 0.433 1.00 0.00 N ATOM 496 CA LEU A 35 16.567 -9.709 -0.299 1.00 0.00 C ATOM 497 C LEU A 35 16.658 -9.385 -1.795 1.00 0.00 C ATOM 498 O LEU A 35 17.477 -8.574 -2.208 1.00 0.00 O ATOM 499 CB LEU A 35 15.138 -9.438 0.194 1.00 0.00 C ATOM 500 CG LEU A 35 14.872 -10.169 1.519 1.00 0.00 C ATOM 501 CD1 LEU A 35 15.039 -11.679 1.328 1.00 0.00 C ATOM 502 CD2 LEU A 35 15.851 -9.677 2.589 1.00 0.00 C ATOM 0 H LEU A 35 17.368 -7.827 0.289 1.00 0.00 H new ATOM 0 HA LEU A 35 16.814 -10.756 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.992 -8.366 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.420 -9.766 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 35 13.851 -9.959 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 35 14.848 -12.188 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.332 -12.031 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.056 -11.894 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.658 -10.199 3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.873 -9.877 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.720 -8.605 2.737 1.00 0.00 H new ATOM 514 N ALA A 36 15.823 -10.002 -2.606 1.00 0.00 N ATOM 515 CA ALA A 36 15.853 -9.722 -4.075 1.00 0.00 C ATOM 516 C ALA A 36 14.723 -8.730 -4.416 1.00 0.00 C ATOM 517 O ALA A 36 13.642 -8.816 -3.860 1.00 0.00 O ATOM 518 CB ALA A 36 15.660 -11.024 -4.853 1.00 0.00 C ATOM 0 H ALA A 36 15.125 -10.685 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 36 16.815 -9.290 -4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.682 -10.815 -5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.461 -11.720 -4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.699 -11.466 -4.590 1.00 0.00 H new ATOM 524 N THR A 37 14.972 -7.782 -5.308 1.00 0.00 N ATOM 525 CA THR A 37 13.930 -6.766 -5.679 1.00 0.00 C ATOM 526 C THR A 37 12.732 -7.430 -6.349 1.00 0.00 C ATOM 527 O THR A 37 11.615 -7.216 -5.941 1.00 0.00 O ATOM 528 CB THR A 37 14.527 -5.731 -6.645 1.00 0.00 C ATOM 529 OG1 THR A 37 15.561 -6.320 -7.426 1.00 0.00 O ATOM 530 CG2 THR A 37 15.093 -4.553 -5.849 1.00 0.00 C ATOM 0 H THR A 37 15.862 -7.674 -5.795 1.00 0.00 H new ATOM 0 HA THR A 37 13.599 -6.277 -4.763 1.00 0.00 H new ATOM 0 HB THR A 37 13.740 -5.378 -7.312 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.931 -5.650 -8.038 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.516 -3.820 -6.536 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.295 -4.089 -5.269 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.871 -4.910 -5.175 1.00 0.00 H new ATOM 538 N GLN A 38 12.956 -8.200 -7.385 1.00 0.00 N ATOM 539 CA GLN A 38 11.818 -8.859 -8.121 1.00 0.00 C ATOM 540 C GLN A 38 10.913 -9.631 -7.151 1.00 0.00 C ATOM 541 O GLN A 38 9.700 -9.521 -7.213 1.00 0.00 O ATOM 542 CB GLN A 38 12.381 -9.818 -9.175 1.00 0.00 C ATOM 543 CG GLN A 38 11.551 -9.717 -10.459 1.00 0.00 C ATOM 544 CD GLN A 38 10.191 -10.383 -10.244 1.00 0.00 C ATOM 545 OE1 GLN A 38 10.117 -11.507 -9.787 1.00 0.00 O ATOM 546 NE2 GLN A 38 9.104 -9.734 -10.558 1.00 0.00 N ATOM 0 H GLN A 38 13.882 -8.405 -7.759 1.00 0.00 H new ATOM 0 HA GLN A 38 11.222 -8.085 -8.605 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.423 -9.574 -9.383 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.362 -10.840 -8.798 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.416 -8.671 -10.735 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.077 -10.199 -11.283 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.166 -8.791 -10.941 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.192 -10.170 -10.420 1.00 0.00 H new ATOM 555 N GLU A 39 11.501 -10.406 -6.271 1.00 0.00 N ATOM 556 CA GLU A 39 10.709 -11.205 -5.282 1.00 0.00 C ATOM 557 C GLU A 39 9.948 -10.262 -4.348 1.00 0.00 C ATOM 558 O GLU A 39 8.867 -10.584 -3.882 1.00 0.00 O ATOM 559 CB GLU A 39 11.656 -12.075 -4.452 1.00 0.00 C ATOM 560 CG GLU A 39 12.375 -13.071 -5.363 1.00 0.00 C ATOM 561 CD GLU A 39 12.932 -14.220 -4.521 1.00 0.00 C ATOM 562 OE1 GLU A 39 12.156 -15.085 -4.147 1.00 0.00 O ATOM 563 OE2 GLU A 39 14.124 -14.216 -4.264 1.00 0.00 O ATOM 0 H GLU A 39 12.512 -10.520 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 39 10.002 -11.838 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.384 -11.448 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.096 -12.609 -3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.686 -13.457 -6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.183 -12.573 -5.898 1.00 0.00 H new ATOM 570 N MET A 40 10.517 -9.107 -4.072 1.00 0.00 N ATOM 571 CA MET A 40 9.860 -8.118 -3.160 1.00 0.00 C ATOM 572 C MET A 40 8.596 -7.595 -3.828 1.00 0.00 C ATOM 573 O MET A 40 7.505 -7.713 -3.296 1.00 0.00 O ATOM 574 CB MET A 40 10.805 -6.947 -2.921 1.00 0.00 C ATOM 575 CG MET A 40 10.412 -6.235 -1.626 1.00 0.00 C ATOM 576 SD MET A 40 10.833 -7.283 -0.211 1.00 0.00 S ATOM 577 CE MET A 40 12.577 -6.814 -0.094 1.00 0.00 C ATOM 0 H MET A 40 11.418 -8.808 -4.445 1.00 0.00 H new ATOM 0 HA MET A 40 9.617 -8.598 -2.212 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.833 -7.302 -2.856 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.760 -6.252 -3.759 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.931 -5.279 -1.552 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.344 -6.018 -1.627 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.995 -7.195 0.838 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.125 -7.236 -0.936 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.664 -5.728 -0.113 1.00 0.00 H new ATOM 587 N LYS A 41 8.756 -7.012 -4.995 1.00 0.00 N ATOM 588 CA LYS A 41 7.590 -6.454 -5.757 1.00 0.00 C ATOM 589 C LYS A 41 6.510 -7.537 -5.916 1.00 0.00 C ATOM 590 O LYS A 41 5.318 -7.260 -5.844 1.00 0.00 O ATOM 591 CB LYS A 41 8.059 -5.990 -7.142 1.00 0.00 C ATOM 592 CG LYS A 41 6.951 -5.174 -7.812 1.00 0.00 C ATOM 593 CD LYS A 41 7.139 -3.687 -7.492 1.00 0.00 C ATOM 594 CE LYS A 41 6.807 -2.847 -8.728 1.00 0.00 C ATOM 595 NZ LYS A 41 7.274 -1.448 -8.519 1.00 0.00 N ATOM 0 H LYS A 41 9.658 -6.898 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 41 7.174 -5.607 -5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.962 -5.387 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.313 -6.852 -7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.973 -5.329 -8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.975 -5.511 -7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.494 -3.400 -6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.166 -3.500 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.286 -3.273 -9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.733 -2.859 -8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.629 -0.791 -9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.287 -1.235 -7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.233 -1.340 -8.907 1.00 0.00 H new ATOM 609 N ALA A 42 6.935 -8.770 -6.113 1.00 0.00 N ATOM 610 CA ALA A 42 5.975 -9.904 -6.266 1.00 0.00 C ATOM 611 C ALA A 42 5.194 -10.060 -4.963 1.00 0.00 C ATOM 612 O ALA A 42 3.993 -10.287 -4.970 1.00 0.00 O ATOM 613 CB ALA A 42 6.745 -11.194 -6.558 1.00 0.00 C ATOM 0 H ALA A 42 7.918 -9.034 -6.174 1.00 0.00 H new ATOM 0 HA ALA A 42 5.291 -9.704 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.042 -12.020 -6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.316 -11.077 -7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.426 -11.406 -5.734 1.00 0.00 H new ATOM 619 N ARG A 43 5.883 -9.926 -3.851 1.00 0.00 N ATOM 620 CA ARG A 43 5.229 -10.048 -2.515 1.00 0.00 C ATOM 621 C ARG A 43 4.169 -8.951 -2.374 1.00 0.00 C ATOM 622 O ARG A 43 3.099 -9.185 -1.828 1.00 0.00 O ATOM 623 CB ARG A 43 6.288 -9.899 -1.411 1.00 0.00 C ATOM 624 CG ARG A 43 6.217 -11.095 -0.456 1.00 0.00 C ATOM 625 CD ARG A 43 4.855 -11.117 0.241 1.00 0.00 C ATOM 626 NE ARG A 43 4.704 -12.394 0.995 1.00 0.00 N ATOM 627 CZ ARG A 43 4.464 -12.371 2.277 1.00 0.00 C ATOM 628 NH1 ARG A 43 5.212 -11.652 3.068 1.00 0.00 N ATOM 629 NH2 ARG A 43 3.479 -13.071 2.768 1.00 0.00 N ATOM 0 H ARG A 43 6.884 -9.735 -3.818 1.00 0.00 H new ATOM 0 HA ARG A 43 4.754 -11.025 -2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.282 -9.835 -1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.124 -8.973 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.369 -12.023 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.014 -11.030 0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.768 -10.269 0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.056 -11.020 -0.494 1.00 0.00 H new ATOM 0 HE ARG A 43 4.788 -13.286 0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.985 -11.108 2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.024 -11.634 4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.897 -13.636 2.150 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.291 -13.053 3.770 1.00 0.00 H new ATOM 643 N CYS A 44 4.464 -7.763 -2.870 1.00 0.00 N ATOM 644 CA CYS A 44 3.481 -6.638 -2.782 1.00 0.00 C ATOM 645 C CYS A 44 2.263 -6.953 -3.641 1.00 0.00 C ATOM 646 O CYS A 44 1.164 -6.556 -3.312 1.00 0.00 O ATOM 647 CB CYS A 44 4.081 -5.347 -3.299 1.00 0.00 C ATOM 648 SG CYS A 44 5.104 -4.614 -2.013 1.00 0.00 S ATOM 0 H CYS A 44 5.344 -7.531 -3.330 1.00 0.00 H new ATOM 0 HA CYS A 44 3.205 -6.523 -1.734 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.679 -5.541 -4.190 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.290 -4.655 -3.590 1.00 0.00 H new ATOM 653 N CYS A 45 2.458 -7.647 -4.755 1.00 0.00 N ATOM 654 CA CYS A 45 1.303 -7.982 -5.655 1.00 0.00 C ATOM 655 C CYS A 45 0.443 -9.055 -4.987 1.00 0.00 C ATOM 656 O CYS A 45 -0.763 -9.085 -5.175 1.00 0.00 O ATOM 657 CB CYS A 45 1.807 -8.498 -7.014 1.00 0.00 C ATOM 658 SG CYS A 45 2.411 -7.141 -8.072 1.00 0.00 S ATOM 0 H CYS A 45 3.365 -7.991 -5.072 1.00 0.00 H new ATOM 0 HA CYS A 45 0.712 -7.082 -5.824 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.609 -9.219 -6.854 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.001 -9.025 -7.524 1.00 0.00 H new ATOM 663 N ARG A 46 1.052 -9.922 -4.199 1.00 0.00 N ATOM 664 CA ARG A 46 0.271 -10.988 -3.497 1.00 0.00 C ATOM 665 C ARG A 46 -0.523 -10.336 -2.369 1.00 0.00 C ATOM 666 O ARG A 46 -1.620 -10.766 -2.039 1.00 0.00 O ATOM 667 CB ARG A 46 1.227 -12.025 -2.907 1.00 0.00 C ATOM 668 CG ARG A 46 0.481 -13.346 -2.696 1.00 0.00 C ATOM 669 CD ARG A 46 1.486 -14.470 -2.429 1.00 0.00 C ATOM 670 NE ARG A 46 0.770 -15.651 -1.866 1.00 0.00 N ATOM 671 CZ ARG A 46 0.623 -16.730 -2.586 1.00 0.00 C ATOM 672 NH1 ARG A 46 0.227 -16.638 -3.827 1.00 0.00 N ATOM 673 NH2 ARG A 46 0.866 -17.900 -2.064 1.00 0.00 N ATOM 0 H ARG A 46 2.055 -9.932 -4.016 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.400 -11.482 -4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.074 -12.176 -3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.629 -11.667 -1.959 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.209 -13.255 -1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.117 -13.582 -3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.994 -14.745 -3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.253 -14.130 -1.733 1.00 0.00 H new ATOM 0 HE ARG A 46 0.395 -15.616 -0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.033 -15.723 -4.234 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.112 -17.481 -4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.171 -17.972 -1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.751 -18.743 -2.626 1.00 0.00 H new ATOM 687 N GLN A 47 0.032 -9.293 -1.783 1.00 0.00 N ATOM 688 CA GLN A 47 -0.663 -8.578 -0.667 1.00 0.00 C ATOM 689 C GLN A 47 -1.780 -7.696 -1.233 1.00 0.00 C ATOM 690 O GLN A 47 -2.803 -7.492 -0.595 1.00 0.00 O ATOM 691 CB GLN A 47 0.350 -7.699 0.068 1.00 0.00 C ATOM 692 CG GLN A 47 1.492 -8.567 0.621 1.00 0.00 C ATOM 693 CD GLN A 47 1.504 -8.506 2.153 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.465 -8.510 2.783 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.647 -8.452 2.778 1.00 0.00 N ATOM 0 H GLN A 47 0.942 -8.908 -2.035 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.093 -9.306 0.020 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.750 -6.945 -0.610 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.141 -7.167 0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.368 -9.598 0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.447 -8.219 0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.518 -8.449 2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.670 -8.413 3.797 1.00 0.00 H new ATOM 704 N LEU A 48 -1.580 -7.179 -2.427 1.00 0.00 N ATOM 705 CA LEU A 48 -2.599 -6.301 -3.072 1.00 0.00 C ATOM 706 C LEU A 48 -3.774 -7.157 -3.526 1.00 0.00 C ATOM 707 O LEU A 48 -4.914 -6.734 -3.453 1.00 0.00 O ATOM 708 CB LEU A 48 -1.985 -5.590 -4.281 1.00 0.00 C ATOM 709 CG LEU A 48 -2.819 -4.348 -4.614 1.00 0.00 C ATOM 710 CD1 LEU A 48 -2.132 -3.104 -4.047 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.952 -4.205 -6.131 1.00 0.00 C ATOM 0 H LEU A 48 -0.740 -7.334 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.940 -5.552 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.956 -5.304 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.956 -6.263 -5.138 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.810 -4.453 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.725 -2.221 -4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.041 -3.200 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.140 -3.004 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.546 -3.321 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.962 -4.104 -6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.443 -5.089 -6.538 1.00 0.00 H new ATOM 723 N GLU A 49 -3.498 -8.363 -3.978 1.00 0.00 N ATOM 724 CA GLU A 49 -4.595 -9.273 -4.422 1.00 0.00 C ATOM 725 C GLU A 49 -5.334 -9.762 -3.178 1.00 0.00 C ATOM 726 O GLU A 49 -6.549 -9.882 -3.179 1.00 0.00 O ATOM 727 CB GLU A 49 -4.009 -10.464 -5.184 1.00 0.00 C ATOM 728 CG GLU A 49 -5.083 -11.071 -6.091 1.00 0.00 C ATOM 729 CD GLU A 49 -5.462 -10.067 -7.181 1.00 0.00 C ATOM 730 OE1 GLU A 49 -4.734 -9.978 -8.157 1.00 0.00 O ATOM 731 OE2 GLU A 49 -6.474 -9.405 -7.022 1.00 0.00 O ATOM 0 H GLU A 49 -2.558 -8.751 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.280 -8.745 -5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.154 -10.143 -5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.645 -11.214 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.714 -11.992 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.963 -11.335 -5.504 1.00 0.00 H new ATOM 738 N ALA A 50 -4.602 -10.007 -2.103 1.00 0.00 N ATOM 739 CA ALA A 50 -5.241 -10.449 -0.818 1.00 0.00 C ATOM 740 C ALA A 50 -6.213 -9.349 -0.385 1.00 0.00 C ATOM 741 O ALA A 50 -7.308 -9.613 0.072 1.00 0.00 O ATOM 742 CB ALA A 50 -4.167 -10.643 0.253 1.00 0.00 C ATOM 0 H ALA A 50 -3.587 -9.918 -2.066 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.767 -11.394 -0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.635 -10.964 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.457 -11.402 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.642 -9.702 0.416 1.00 0.00 H new ATOM 748 N ILE A 51 -5.806 -8.116 -0.592 1.00 0.00 N ATOM 749 CA ILE A 51 -6.661 -6.930 -0.281 1.00 0.00 C ATOM 750 C ILE A 51 -7.609 -6.745 -1.482 1.00 0.00 C ATOM 751 O ILE A 51 -7.152 -6.334 -2.528 1.00 0.00 O ATOM 752 CB ILE A 51 -5.780 -5.688 -0.116 1.00 0.00 C ATOM 753 CG1 ILE A 51 -4.754 -5.935 0.995 1.00 0.00 C ATOM 754 CG2 ILE A 51 -6.653 -4.491 0.259 1.00 0.00 C ATOM 755 CD1 ILE A 51 -3.585 -4.960 0.840 1.00 0.00 C ATOM 0 H ILE A 51 -4.890 -7.880 -0.974 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.220 -7.074 0.643 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.262 -5.483 -1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.222 -5.806 1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.393 -6.962 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.027 -3.607 0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.386 -4.314 -0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.170 -4.697 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.856 -5.137 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.111 -5.111 -0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.953 -3.936 0.909 1.00 0.00 H new ATOM 767 N PRO A 52 -8.881 -7.111 -1.348 1.00 0.00 N ATOM 768 CA PRO A 52 -9.834 -7.050 -2.481 1.00 0.00 C ATOM 769 C PRO A 52 -9.958 -5.638 -3.057 1.00 0.00 C ATOM 770 O PRO A 52 -9.952 -4.651 -2.344 1.00 0.00 O ATOM 771 CB PRO A 52 -11.149 -7.578 -1.894 1.00 0.00 C ATOM 772 CG PRO A 52 -11.019 -7.439 -0.364 1.00 0.00 C ATOM 773 CD PRO A 52 -9.511 -7.538 -0.071 1.00 0.00 C ATOM 0 HA PRO A 52 -9.507 -7.645 -3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.999 -7.007 -2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.314 -8.617 -2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.424 -6.487 -0.020 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.572 -8.225 0.150 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.220 -6.891 0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.221 -8.553 0.200 1.00 0.00 H new ATOM 781 N ALA A 53 -10.052 -5.565 -4.372 1.00 0.00 N ATOM 782 CA ALA A 53 -10.162 -4.257 -5.099 1.00 0.00 C ATOM 783 C ALA A 53 -11.245 -3.363 -4.474 1.00 0.00 C ATOM 784 O ALA A 53 -11.208 -2.153 -4.614 1.00 0.00 O ATOM 785 CB ALA A 53 -10.524 -4.537 -6.557 1.00 0.00 C ATOM 0 H ALA A 53 -10.057 -6.382 -4.983 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.207 -3.736 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.608 -3.595 -7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.747 -5.150 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.476 -5.066 -6.600 1.00 0.00 H new ATOM 791 N TYR A 54 -12.212 -3.960 -3.800 1.00 0.00 N ATOM 792 CA TYR A 54 -13.332 -3.184 -3.160 1.00 0.00 C ATOM 793 C TYR A 54 -12.796 -1.959 -2.398 1.00 0.00 C ATOM 794 O TYR A 54 -12.990 -0.829 -2.819 1.00 0.00 O ATOM 795 CB TYR A 54 -14.078 -4.109 -2.183 1.00 0.00 C ATOM 796 CG TYR A 54 -15.536 -4.205 -2.567 1.00 0.00 C ATOM 797 CD1 TYR A 54 -16.402 -3.138 -2.303 1.00 0.00 C ATOM 798 CD2 TYR A 54 -16.020 -5.363 -3.187 1.00 0.00 C ATOM 799 CE1 TYR A 54 -17.754 -3.229 -2.658 1.00 0.00 C ATOM 800 CE2 TYR A 54 -17.371 -5.455 -3.542 1.00 0.00 C ATOM 801 CZ TYR A 54 -18.238 -4.387 -3.277 1.00 0.00 C ATOM 802 OH TYR A 54 -19.571 -4.479 -3.627 1.00 0.00 O ATOM 0 H TYR A 54 -12.271 -4.969 -3.666 1.00 0.00 H new ATOM 0 HA TYR A 54 -14.005 -2.829 -3.941 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -13.626 -5.101 -2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -13.986 -3.726 -1.166 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -16.028 -2.244 -1.826 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -15.351 -6.186 -3.392 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -18.423 -2.406 -2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -17.745 -6.349 -4.020 1.00 0.00 H new ATOM 0 HH TYR A 54 -19.740 -5.348 -4.048 1.00 0.00 H new ATOM 812 N CYS A 55 -12.147 -2.183 -1.274 1.00 0.00 N ATOM 813 CA CYS A 55 -11.610 -1.053 -0.448 1.00 0.00 C ATOM 814 C CYS A 55 -10.062 -1.024 -0.493 1.00 0.00 C ATOM 815 O CYS A 55 -9.437 -0.499 0.413 1.00 0.00 O ATOM 816 CB CYS A 55 -12.079 -1.243 0.996 1.00 0.00 C ATOM 817 SG CYS A 55 -13.784 -0.656 1.147 1.00 0.00 S ATOM 0 H CYS A 55 -11.966 -3.111 -0.892 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.978 -0.108 -0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -12.017 -2.295 1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.430 -0.693 1.678 1.00 0.00 H new ATOM 822 N ARG A 56 -9.436 -1.585 -1.538 1.00 0.00 N ATOM 823 CA ARG A 56 -7.925 -1.596 -1.655 1.00 0.00 C ATOM 824 C ARG A 56 -7.327 -0.245 -1.196 1.00 0.00 C ATOM 825 O ARG A 56 -6.902 -0.124 -0.062 1.00 0.00 O ATOM 826 CB ARG A 56 -7.540 -1.862 -3.119 1.00 0.00 C ATOM 827 CG ARG A 56 -7.178 -3.341 -3.315 1.00 0.00 C ATOM 828 CD ARG A 56 -6.376 -3.490 -4.612 1.00 0.00 C ATOM 829 NE ARG A 56 -6.504 -4.880 -5.150 1.00 0.00 N ATOM 830 CZ ARG A 56 -6.446 -5.082 -6.434 1.00 0.00 C ATOM 831 NH1 ARG A 56 -7.168 -4.357 -7.240 1.00 0.00 N ATOM 832 NH2 ARG A 56 -5.668 -6.013 -6.914 1.00 0.00 N ATOM 0 H ARG A 56 -9.920 -2.036 -2.314 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.526 -2.381 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.369 -1.594 -3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.695 -1.234 -3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.594 -3.701 -2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.083 -3.947 -3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.733 -2.773 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.327 -3.261 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.636 -5.666 -4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.778 -3.631 -6.864 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.123 -4.515 -8.247 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.105 -6.583 -6.283 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.623 -6.171 -7.921 1.00 0.00 H new ATOM 846 N CYS A 57 -7.289 0.756 -2.074 1.00 0.00 N ATOM 847 CA CYS A 57 -6.723 2.122 -1.723 1.00 0.00 C ATOM 848 C CYS A 57 -6.937 2.523 -0.236 1.00 0.00 C ATOM 849 O CYS A 57 -6.067 3.155 0.337 1.00 0.00 O ATOM 850 CB CYS A 57 -7.356 3.167 -2.651 1.00 0.00 C ATOM 851 SG CYS A 57 -6.867 2.802 -4.361 1.00 0.00 S ATOM 0 H CYS A 57 -7.632 0.681 -3.032 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.643 2.075 -1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.442 3.148 -2.556 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.029 4.168 -2.370 1.00 0.00 H new ATOM 856 N GLU A 58 -8.059 2.168 0.395 1.00 0.00 N ATOM 857 CA GLU A 58 -8.289 2.530 1.844 1.00 0.00 C ATOM 858 C GLU A 58 -7.034 2.227 2.695 1.00 0.00 C ATOM 859 O GLU A 58 -6.505 3.113 3.341 1.00 0.00 O ATOM 860 CB GLU A 58 -9.470 1.721 2.382 1.00 0.00 C ATOM 861 CG GLU A 58 -10.049 2.420 3.614 1.00 0.00 C ATOM 862 CD GLU A 58 -11.453 1.882 3.897 1.00 0.00 C ATOM 863 OE1 GLU A 58 -11.586 0.678 4.040 1.00 0.00 O ATOM 864 OE2 GLU A 58 -12.371 2.683 3.966 1.00 0.00 O ATOM 0 H GLU A 58 -8.819 1.644 -0.038 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.501 3.597 1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.237 1.622 1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.146 0.713 2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.404 2.253 4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.088 3.497 3.449 1.00 0.00 H new ATOM 871 N ALA A 59 -6.572 0.982 2.710 1.00 0.00 N ATOM 872 CA ALA A 59 -5.356 0.592 3.522 1.00 0.00 C ATOM 873 C ALA A 59 -4.223 1.633 3.418 1.00 0.00 C ATOM 874 O ALA A 59 -3.535 1.894 4.393 1.00 0.00 O ATOM 875 CB ALA A 59 -4.839 -0.761 3.030 1.00 0.00 C ATOM 0 H ALA A 59 -6.992 0.213 2.187 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.660 0.537 4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.963 -1.049 3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.618 -1.514 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.568 -0.686 1.977 1.00 0.00 H new ATOM 881 N VAL A 60 -4.023 2.213 2.253 1.00 0.00 N ATOM 882 CA VAL A 60 -2.938 3.239 2.063 1.00 0.00 C ATOM 883 C VAL A 60 -3.111 4.364 3.088 1.00 0.00 C ATOM 884 O VAL A 60 -2.173 4.744 3.777 1.00 0.00 O ATOM 885 CB VAL A 60 -3.033 3.823 0.650 1.00 0.00 C ATOM 886 CG1 VAL A 60 -1.837 4.742 0.394 1.00 0.00 C ATOM 887 CG2 VAL A 60 -3.025 2.684 -0.372 1.00 0.00 C ATOM 0 H VAL A 60 -4.572 2.017 1.416 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.965 2.767 2.201 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.957 4.394 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.906 5.157 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.839 5.553 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.913 4.172 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.093 3.098 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.101 2.115 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.876 2.027 -0.192 1.00 0.00 H new ATOM 897 N ARG A 61 -4.313 4.888 3.179 1.00 0.00 N ATOM 898 CA ARG A 61 -4.611 5.992 4.155 1.00 0.00 C ATOM 899 C ARG A 61 -4.287 5.522 5.587 1.00 0.00 C ATOM 900 O ARG A 61 -3.957 6.317 6.444 1.00 0.00 O ATOM 901 CB ARG A 61 -6.099 6.365 4.059 1.00 0.00 C ATOM 902 CG ARG A 61 -6.247 7.883 3.916 1.00 0.00 C ATOM 903 CD ARG A 61 -5.836 8.306 2.504 1.00 0.00 C ATOM 904 NE ARG A 61 -5.907 9.789 2.388 1.00 0.00 N ATOM 905 CZ ARG A 61 -5.747 10.361 1.225 1.00 0.00 C ATOM 906 NH1 ARG A 61 -4.589 10.304 0.625 1.00 0.00 N ATOM 907 NH2 ARG A 61 -6.742 10.990 0.664 1.00 0.00 N ATOM 0 H ARG A 61 -5.109 4.595 2.613 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.999 6.862 3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.554 5.864 3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.627 6.021 4.948 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.278 8.178 4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.626 8.391 4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.824 7.962 2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.493 7.841 1.768 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.081 10.358 3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.810 9.813 1.065 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.463 10.750 -0.283 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.646 11.036 1.134 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.616 11.436 -0.244 1.00 0.00 H new ATOM 921 N ILE A 62 -4.399 4.236 5.834 1.00 0.00 N ATOM 922 CA ILE A 62 -4.115 3.659 7.194 1.00 0.00 C ATOM 923 C ILE A 62 -2.602 3.549 7.409 1.00 0.00 C ATOM 924 O ILE A 62 -2.142 3.568 8.536 1.00 0.00 O ATOM 925 CB ILE A 62 -4.790 2.270 7.275 1.00 0.00 C ATOM 926 CG1 ILE A 62 -6.285 2.460 7.543 1.00 0.00 C ATOM 927 CG2 ILE A 62 -4.184 1.408 8.395 1.00 0.00 C ATOM 928 CD1 ILE A 62 -6.994 2.829 6.238 1.00 0.00 C ATOM 0 H ILE A 62 -4.681 3.547 5.137 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.514 4.304 7.977 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.627 1.756 6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.711 1.545 7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.436 3.244 8.285 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.684 0.440 8.420 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.120 1.262 8.207 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.317 1.910 9.353 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.059 2.964 6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.575 3.755 5.846 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.854 2.030 5.510 1.00 0.00 H new ATOM 940 N LEU A 63 -1.842 3.403 6.351 1.00 0.00 N ATOM 941 CA LEU A 63 -0.365 3.277 6.503 1.00 0.00 C ATOM 942 C LEU A 63 0.247 4.648 6.747 1.00 0.00 C ATOM 943 O LEU A 63 1.142 4.779 7.561 1.00 0.00 O ATOM 944 CB LEU A 63 0.245 2.644 5.251 1.00 0.00 C ATOM 945 CG LEU A 63 1.732 2.372 5.487 1.00 0.00 C ATOM 946 CD1 LEU A 63 2.161 1.148 4.676 1.00 0.00 C ATOM 947 CD2 LEU A 63 2.550 3.587 5.044 1.00 0.00 C ATOM 0 H LEU A 63 -2.184 3.366 5.391 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.151 2.634 7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.272 1.714 5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.117 3.308 4.396 1.00 0.00 H new ATOM 0 HG LEU A 63 1.903 2.185 6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.220 0.954 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.579 0.281 4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.990 1.336 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.609 3.393 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.379 3.774 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.245 4.461 5.620 1.00 0.00 H new ATOM 959 N MET A 64 -0.217 5.664 6.052 1.00 0.00 N ATOM 960 CA MET A 64 0.354 7.030 6.260 1.00 0.00 C ATOM 961 C MET A 64 -0.231 7.659 7.530 1.00 0.00 C ATOM 962 O MET A 64 0.505 8.139 8.377 1.00 0.00 O ATOM 963 CB MET A 64 0.053 7.930 5.055 1.00 0.00 C ATOM 964 CG MET A 64 0.962 9.164 5.110 1.00 0.00 C ATOM 965 SD MET A 64 -0.035 10.625 5.498 1.00 0.00 S ATOM 966 CE MET A 64 1.263 11.573 6.329 1.00 0.00 C ATOM 0 H MET A 64 -0.960 5.604 5.356 1.00 0.00 H new ATOM 0 HA MET A 64 1.435 6.936 6.369 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.218 7.383 4.127 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.994 8.234 5.065 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.736 9.027 5.865 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.469 9.299 4.155 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.860 12.531 6.658 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.624 11.015 7.193 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.088 11.745 5.637 1.00 0.00 H new ATOM 976 N ASP A 65 -1.546 7.672 7.654 1.00 0.00 N ATOM 977 CA ASP A 65 -2.196 8.285 8.861 1.00 0.00 C ATOM 978 C ASP A 65 -2.182 7.321 10.051 1.00 0.00 C ATOM 979 O ASP A 65 -2.263 7.756 11.191 1.00 0.00 O ATOM 980 CB ASP A 65 -3.635 8.788 8.563 1.00 0.00 C ATOM 981 CG ASP A 65 -3.555 10.156 7.885 1.00 0.00 C ATOM 982 OD1 ASP A 65 -2.913 11.033 8.439 1.00 0.00 O ATOM 983 OD2 ASP A 65 -4.141 10.304 6.826 1.00 0.00 O ATOM 0 H ASP A 65 -2.194 7.283 6.969 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.603 9.159 9.129 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.156 8.079 7.919 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.208 8.859 9.488 1.00 0.00 H new ATOM 988 N GLY A 66 -2.095 6.027 9.805 1.00 0.00 N ATOM 989 CA GLY A 66 -2.094 5.037 10.929 1.00 0.00 C ATOM 990 C GLY A 66 -3.541 4.712 11.326 1.00 0.00 C ATOM 991 O GLY A 66 -4.417 5.557 11.252 1.00 0.00 O ATOM 0 H GLY A 66 -2.025 5.619 8.873 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.576 4.127 10.626 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.553 5.442 11.784 1.00 0.00 H new ATOM 995 N VAL A 67 -3.779 3.487 11.736 1.00 0.00 N ATOM 996 CA VAL A 67 -5.157 3.042 12.142 1.00 0.00 C ATOM 997 C VAL A 67 -5.157 2.638 13.620 1.00 0.00 C ATOM 998 O VAL A 67 -4.119 2.353 14.190 1.00 0.00 O ATOM 999 CB VAL A 67 -5.600 1.846 11.287 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -4.672 0.638 11.530 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -7.043 1.466 11.647 1.00 0.00 C ATOM 0 H VAL A 67 -3.065 2.763 11.808 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.852 3.868 11.990 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.545 2.125 10.235 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.999 -0.201 10.917 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.649 0.905 11.263 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.710 0.355 12.582 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.358 0.617 11.040 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.096 1.198 12.702 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.701 2.313 11.455 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.324 2.614 14.229 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.425 2.227 15.666 1.00 0.00 C ATOM 1013 C VAL A 68 -7.205 0.914 15.757 1.00 0.00 C ATOM 1014 O VAL A 68 -7.930 0.537 14.850 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.117 3.338 16.484 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -7.450 2.837 17.902 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.170 4.532 16.601 1.00 0.00 C ATOM 0 H VAL A 68 -7.212 2.848 13.784 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.428 2.091 16.085 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.039 3.624 15.978 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.937 3.634 18.464 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.118 1.978 17.837 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.531 2.545 18.410 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.651 5.322 17.178 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.254 4.222 17.104 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.929 4.904 15.605 1.00 0.00 H new ATOM 1027 N THR A 69 -7.001 0.212 16.839 1.00 0.00 N ATOM 1028 CA THR A 69 -7.640 -1.110 17.055 1.00 0.00 C ATOM 1029 C THR A 69 -8.555 -1.049 18.269 1.00 0.00 C ATOM 1030 O THR A 69 -8.450 -0.168 19.102 1.00 0.00 O ATOM 1031 CB THR A 69 -6.568 -2.183 17.255 1.00 0.00 C ATOM 1032 OG1 THR A 69 -5.720 -1.813 18.326 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.740 -2.325 15.977 1.00 0.00 C ATOM 0 H THR A 69 -6.398 0.514 17.604 1.00 0.00 H new ATOM 0 HA THR A 69 -8.234 -1.367 16.178 1.00 0.00 H new ATOM 0 HB THR A 69 -7.049 -3.134 17.484 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.231 -0.997 18.090 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.977 -3.090 16.121 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.391 -2.613 15.152 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.261 -1.373 15.746 1.00 0.00 H new ATOM 1041 N SER A 70 -9.474 -1.971 18.325 1.00 0.00 N ATOM 1042 CA SER A 70 -10.470 -2.037 19.431 1.00 0.00 C ATOM 1043 C SER A 70 -9.771 -2.321 20.761 1.00 0.00 C ATOM 1044 O SER A 70 -10.245 -1.928 21.815 1.00 0.00 O ATOM 1045 CB SER A 70 -11.464 -3.152 19.108 1.00 0.00 C ATOM 1046 OG SER A 70 -12.371 -3.314 20.192 1.00 0.00 O ATOM 0 H SER A 70 -9.579 -2.706 17.626 1.00 0.00 H new ATOM 0 HA SER A 70 -10.990 -1.084 19.523 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.011 -2.912 18.196 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.932 -4.085 18.924 1.00 0.00 H new ATOM 0 HG SER A 70 -13.008 -4.028 19.982 1.00 0.00 H new ATOM 1052 N SER A 71 -8.652 -2.991 20.703 1.00 0.00 N ATOM 1053 CA SER A 71 -7.875 -3.322 21.938 1.00 0.00 C ATOM 1054 C SER A 71 -7.223 -2.054 22.506 1.00 0.00 C ATOM 1055 O SER A 71 -6.781 -2.044 23.644 1.00 0.00 O ATOM 1056 CB SER A 71 -6.785 -4.341 21.601 1.00 0.00 C ATOM 1057 OG SER A 71 -6.193 -4.007 20.352 1.00 0.00 O ATOM 0 H SER A 71 -8.234 -3.330 19.837 1.00 0.00 H new ATOM 0 HA SER A 71 -8.554 -3.741 22.680 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.027 -4.350 22.384 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.211 -5.344 21.557 1.00 0.00 H new ATOM 0 HG SER A 71 -5.493 -4.659 20.137 1.00 0.00 H new ATOM 1063 N GLY A 72 -7.146 -0.996 21.717 1.00 0.00 N ATOM 1064 CA GLY A 72 -6.511 0.274 22.191 1.00 0.00 C ATOM 1065 C GLY A 72 -5.080 0.374 21.634 1.00 0.00 C ATOM 1066 O GLY A 72 -4.317 1.230 22.055 1.00 0.00 O ATOM 0 H GLY A 72 -7.500 -0.965 20.761 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.100 1.131 21.864 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.491 0.298 23.281 1.00 0.00 H new ATOM 1070 N GLN A 73 -4.710 -0.490 20.694 1.00 0.00 N ATOM 1071 CA GLN A 73 -3.329 -0.446 20.111 1.00 0.00 C ATOM 1072 C GLN A 73 -3.379 0.253 18.752 1.00 0.00 C ATOM 1073 O GLN A 73 -4.409 0.285 18.119 1.00 0.00 O ATOM 1074 CB GLN A 73 -2.806 -1.872 19.930 1.00 0.00 C ATOM 1075 CG GLN A 73 -2.866 -2.613 21.267 1.00 0.00 C ATOM 1076 CD GLN A 73 -1.682 -3.576 21.375 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -1.864 -4.776 21.426 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -0.469 -3.099 21.414 1.00 0.00 N ATOM 0 H GLN A 73 -5.312 -1.219 20.313 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.666 0.101 20.781 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.403 -2.397 19.184 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.781 -1.850 19.560 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.843 -1.900 22.091 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.804 -3.163 21.347 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.316 -2.092 21.371 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.326 -3.733 21.487 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.273 0.805 18.304 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.242 1.501 16.987 1.00 0.00 C ATOM 1089 C HIS A 74 -1.298 0.736 16.066 1.00 0.00 C ATOM 1090 O HIS A 74 -0.409 0.036 16.531 1.00 0.00 O ATOM 1091 CB HIS A 74 -1.701 2.914 17.168 1.00 0.00 C ATOM 1092 CG HIS A 74 -2.749 3.824 17.758 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -2.847 5.160 17.396 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -3.736 3.621 18.695 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -3.856 5.701 18.104 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -4.430 4.807 18.910 1.00 0.00 N ATOM 0 H HIS A 74 -1.384 0.800 18.805 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.247 1.545 16.567 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.826 2.892 17.818 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.373 3.307 16.206 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.941 2.683 19.189 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.163 6.734 18.028 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.211 4.960 19.548 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.487 0.858 14.772 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.609 0.134 13.808 1.00 0.00 C ATOM 1106 C GLU A 75 -0.377 0.981 12.570 1.00 0.00 C ATOM 1107 O GLU A 75 -0.758 2.141 12.514 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.255 -1.195 13.410 1.00 0.00 C ATOM 1109 CG GLU A 75 -1.576 -2.006 14.668 1.00 0.00 C ATOM 1110 CD GLU A 75 -1.668 -3.491 14.308 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -0.744 -3.985 13.681 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -2.656 -4.107 14.667 1.00 0.00 O ATOM 0 H GLU A 75 -2.215 1.431 14.345 1.00 0.00 H new ATOM 0 HA GLU A 75 0.350 -0.062 14.288 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.166 -1.012 12.841 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.583 -1.759 12.763 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.803 -1.851 15.421 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.517 -1.667 15.102 1.00 0.00 H new ATOM 1119 N GLY A 76 0.272 0.402 11.589 1.00 0.00 N ATOM 1120 CA GLY A 76 0.585 1.135 10.330 1.00 0.00 C ATOM 1121 C GLY A 76 1.467 2.332 10.667 1.00 0.00 C ATOM 1122 O GLY A 76 2.296 2.265 11.561 1.00 0.00 O ATOM 0 H GLY A 76 0.602 -0.563 11.612 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.094 0.477 9.626 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.334 1.467 9.848 1.00 0.00 H new ATOM 1126 N ARG A 77 1.290 3.420 9.958 1.00 0.00 N ATOM 1127 CA ARG A 77 2.109 4.650 10.213 1.00 0.00 C ATOM 1128 C ARG A 77 3.614 4.303 10.092 1.00 0.00 C ATOM 1129 O ARG A 77 4.457 4.998 10.637 1.00 0.00 O ATOM 1130 CB ARG A 77 1.811 5.167 11.625 1.00 0.00 C ATOM 1131 CG ARG A 77 2.370 6.586 11.780 1.00 0.00 C ATOM 1132 CD ARG A 77 1.251 7.607 11.564 1.00 0.00 C ATOM 1133 NE ARG A 77 1.842 8.912 11.157 1.00 0.00 N ATOM 1134 CZ ARG A 77 1.930 9.886 12.022 1.00 0.00 C ATOM 1135 NH1 ARG A 77 0.852 10.504 12.420 1.00 0.00 N ATOM 1136 NH2 ARG A 77 3.097 10.240 12.486 1.00 0.00 N ATOM 0 H ARG A 77 0.607 3.511 9.206 1.00 0.00 H new ATOM 0 HA ARG A 77 1.858 5.418 9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.736 5.167 11.804 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.258 4.506 12.367 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.803 6.711 12.773 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.171 6.752 11.060 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.563 7.252 10.797 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.672 7.727 12.480 1.00 0.00 H new ATOM 0 HE ARG A 77 2.178 9.045 10.203 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.059 10.226 12.055 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.920 11.265 13.096 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.939 9.756 12.173 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.168 11.001 13.162 1.00 0.00 H new ATOM 1150 N LEU A 78 3.951 3.220 9.393 1.00 0.00 N ATOM 1151 CA LEU A 78 5.385 2.807 9.247 1.00 0.00 C ATOM 1152 C LEU A 78 6.152 3.855 8.429 1.00 0.00 C ATOM 1153 O LEU A 78 7.364 3.949 8.536 1.00 0.00 O ATOM 1154 CB LEU A 78 5.474 1.426 8.569 1.00 0.00 C ATOM 1155 CG LEU A 78 5.429 0.330 9.636 1.00 0.00 C ATOM 1156 CD1 LEU A 78 4.068 0.345 10.334 1.00 0.00 C ATOM 1157 CD2 LEU A 78 5.644 -1.034 8.972 1.00 0.00 C ATOM 0 H LEU A 78 3.283 2.611 8.921 1.00 0.00 H new ATOM 0 HA LEU A 78 5.836 2.737 10.237 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.649 1.300 7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.397 1.350 7.993 1.00 0.00 H new ATOM 0 HG LEU A 78 6.214 0.509 10.371 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.040 -0.437 11.093 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.912 1.315 10.806 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.281 0.167 9.601 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.612 -1.817 9.730 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.858 -1.209 8.237 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.614 -1.048 8.476 1.00 0.00 H new ATOM 1169 N LEU A 79 5.458 4.660 7.635 1.00 0.00 N ATOM 1170 CA LEU A 79 6.137 5.725 6.836 1.00 0.00 C ATOM 1171 C LEU A 79 6.822 6.683 7.818 1.00 0.00 C ATOM 1172 O LEU A 79 6.207 7.609 8.325 1.00 0.00 O ATOM 1173 CB LEU A 79 5.084 6.471 6.003 1.00 0.00 C ATOM 1174 CG LEU A 79 5.747 7.590 5.184 1.00 0.00 C ATOM 1175 CD1 LEU A 79 5.253 7.532 3.735 1.00 0.00 C ATOM 1176 CD2 LEU A 79 5.385 8.955 5.783 1.00 0.00 C ATOM 0 H LEU A 79 4.446 4.615 7.514 1.00 0.00 H new ATOM 0 HA LEU A 79 6.878 5.300 6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.578 5.774 5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.323 6.893 6.660 1.00 0.00 H new ATOM 0 HG LEU A 79 6.828 7.455 5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.725 8.327 3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.511 6.566 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.171 7.662 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.857 9.745 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.303 9.086 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.737 9.005 6.813 1.00 0.00 H new ATOM 1188 N GLN A 80 8.082 6.437 8.113 1.00 0.00 N ATOM 1189 CA GLN A 80 8.815 7.298 9.089 1.00 0.00 C ATOM 1190 C GLN A 80 10.260 7.508 8.643 1.00 0.00 C ATOM 1191 O GLN A 80 10.702 6.973 7.639 1.00 0.00 O ATOM 1192 CB GLN A 80 8.803 6.625 10.462 1.00 0.00 C ATOM 1193 CG GLN A 80 7.361 6.488 10.955 1.00 0.00 C ATOM 1194 CD GLN A 80 7.338 6.523 12.484 1.00 0.00 C ATOM 1195 OE1 GLN A 80 7.518 7.566 13.082 1.00 0.00 O ATOM 1196 NE2 GLN A 80 7.119 5.420 13.147 1.00 0.00 N ATOM 0 H GLN A 80 8.630 5.674 7.716 1.00 0.00 H new ATOM 0 HA GLN A 80 8.321 8.268 9.142 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.272 5.643 10.401 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.386 7.213 11.171 1.00 0.00 H new ATOM 0 HG2 GLN A 80 6.750 7.296 10.553 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.930 5.554 10.596 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.968 4.545 12.645 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.099 5.433 14.167 1.00 0.00 H new ATOM 1205 N ASP A 81 10.978 8.304 9.396 1.00 0.00 N ATOM 1206 CA ASP A 81 12.397 8.621 9.084 1.00 0.00 C ATOM 1207 C ASP A 81 13.280 7.370 9.166 1.00 0.00 C ATOM 1208 O ASP A 81 13.453 6.773 10.213 1.00 0.00 O ATOM 1209 CB ASP A 81 12.909 9.667 10.082 1.00 0.00 C ATOM 1210 CG ASP A 81 12.021 10.912 10.013 1.00 0.00 C ATOM 1211 OD1 ASP A 81 11.014 10.935 10.701 1.00 0.00 O ATOM 1212 OD2 ASP A 81 12.363 11.819 9.273 1.00 0.00 O ATOM 0 H ASP A 81 10.624 8.758 10.238 1.00 0.00 H new ATOM 0 HA ASP A 81 12.447 9.007 8.066 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.901 9.257 11.092 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.942 9.930 9.853 1.00 0.00 H new ATOM 1217 N LEU A 82 13.873 7.029 8.052 1.00 0.00 N ATOM 1218 CA LEU A 82 14.821 5.875 7.952 1.00 0.00 C ATOM 1219 C LEU A 82 16.218 6.461 7.661 1.00 0.00 C ATOM 1220 O LEU A 82 16.312 7.630 7.314 1.00 0.00 O ATOM 1221 CB LEU A 82 14.391 4.955 6.797 1.00 0.00 C ATOM 1222 CG LEU A 82 13.281 4.005 7.254 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.731 3.242 6.044 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.854 3.001 8.257 1.00 0.00 C ATOM 0 H LEU A 82 13.734 7.523 7.171 1.00 0.00 H new ATOM 0 HA LEU A 82 14.829 5.292 8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.041 5.555 5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.247 4.380 6.444 1.00 0.00 H new ATOM 0 HG LEU A 82 12.482 4.581 7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.941 2.565 6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.328 3.950 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.533 2.667 5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.066 2.323 8.584 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.651 2.428 7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.254 3.535 9.119 1.00 0.00 H new ATOM 1236 N PRO A 83 17.270 5.665 7.795 1.00 0.00 N ATOM 1237 CA PRO A 83 18.637 6.159 7.536 1.00 0.00 C ATOM 1238 C PRO A 83 18.830 6.448 6.045 1.00 0.00 C ATOM 1239 O PRO A 83 19.067 5.555 5.251 1.00 0.00 O ATOM 1240 CB PRO A 83 19.544 5.032 8.040 1.00 0.00 C ATOM 1241 CG PRO A 83 18.675 3.756 8.064 1.00 0.00 C ATOM 1242 CD PRO A 83 17.215 4.230 8.189 1.00 0.00 C ATOM 0 HA PRO A 83 18.859 7.101 8.038 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.406 4.904 7.385 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.930 5.258 9.034 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.818 3.171 7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.949 3.115 8.902 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.553 3.661 7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.841 4.109 9.206 1.00 0.00 H new ATOM 1250 N GLY A 84 18.728 7.712 5.683 1.00 0.00 N ATOM 1251 CA GLY A 84 18.898 8.138 4.259 1.00 0.00 C ATOM 1252 C GLY A 84 17.546 8.143 3.514 1.00 0.00 C ATOM 1253 O GLY A 84 17.522 8.326 2.308 1.00 0.00 O ATOM 0 H GLY A 84 18.531 8.475 6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.339 9.134 4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.592 7.465 3.755 1.00 0.00 H new ATOM 1257 N CYS A 85 16.426 7.957 4.212 1.00 0.00 N ATOM 1258 CA CYS A 85 15.084 7.962 3.517 1.00 0.00 C ATOM 1259 C CYS A 85 14.035 8.671 4.419 1.00 0.00 C ATOM 1260 O CYS A 85 13.417 8.019 5.241 1.00 0.00 O ATOM 1261 CB CYS A 85 14.613 6.517 3.257 1.00 0.00 C ATOM 1262 SG CYS A 85 16.006 5.458 2.799 1.00 0.00 S ATOM 0 H CYS A 85 16.390 7.804 5.220 1.00 0.00 H new ATOM 0 HA CYS A 85 15.184 8.489 2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 85 14.128 6.122 4.150 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.869 6.510 2.461 1.00 0.00 H new ATOM 1267 N PRO A 86 13.857 9.983 4.268 1.00 0.00 N ATOM 1268 CA PRO A 86 12.893 10.747 5.105 1.00 0.00 C ATOM 1269 C PRO A 86 11.446 10.451 4.715 1.00 0.00 C ATOM 1270 O PRO A 86 11.179 9.897 3.661 1.00 0.00 O ATOM 1271 CB PRO A 86 13.229 12.214 4.810 1.00 0.00 C ATOM 1272 CG PRO A 86 13.974 12.231 3.459 1.00 0.00 C ATOM 1273 CD PRO A 86 14.557 10.820 3.257 1.00 0.00 C ATOM 0 HA PRO A 86 12.977 10.487 6.160 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.322 12.817 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.850 12.636 5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.295 12.489 2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.766 12.980 3.463 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.376 10.456 2.246 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.636 10.810 3.411 1.00 0.00 H new ATOM 1281 N ARG A 87 10.506 10.851 5.560 1.00 0.00 N ATOM 1282 CA ARG A 87 9.054 10.648 5.270 1.00 0.00 C ATOM 1283 C ARG A 87 8.724 11.176 3.877 1.00 0.00 C ATOM 1284 O ARG A 87 7.770 10.755 3.255 1.00 0.00 O ATOM 1285 CB ARG A 87 8.236 11.475 6.253 1.00 0.00 C ATOM 1286 CG ARG A 87 8.489 10.970 7.656 1.00 0.00 C ATOM 1287 CD ARG A 87 7.591 11.707 8.653 1.00 0.00 C ATOM 1288 NE ARG A 87 6.174 11.660 8.190 1.00 0.00 N ATOM 1289 CZ ARG A 87 5.288 12.460 8.720 1.00 0.00 C ATOM 1290 NH1 ARG A 87 5.084 13.641 8.205 1.00 0.00 N ATOM 1291 NH2 ARG A 87 4.605 12.078 9.763 1.00 0.00 N ATOM 0 H ARG A 87 10.698 11.315 6.448 1.00 0.00 H new ATOM 0 HA ARG A 87 8.828 9.584 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.509 12.527 6.177 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.175 11.403 6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.296 9.898 7.705 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.536 11.118 7.920 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.676 11.250 9.639 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.916 12.743 8.752 1.00 0.00 H new ATOM 0 HE ARG A 87 5.897 11.004 7.460 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.617 13.940 7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.392 14.265 8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.763 11.154 10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.913 12.703 10.177 1.00 0.00 H new ATOM 1305 N GLN A 88 9.488 12.147 3.436 1.00 0.00 N ATOM 1306 CA GLN A 88 9.234 12.800 2.107 1.00 0.00 C ATOM 1307 C GLN A 88 9.339 11.801 0.936 1.00 0.00 C ATOM 1308 O GLN A 88 8.503 11.805 0.042 1.00 0.00 O ATOM 1309 CB GLN A 88 10.253 13.932 1.907 1.00 0.00 C ATOM 1310 CG GLN A 88 9.525 15.226 1.525 1.00 0.00 C ATOM 1311 CD GLN A 88 8.761 15.760 2.739 1.00 0.00 C ATOM 1312 OE1 GLN A 88 7.833 15.135 3.213 1.00 0.00 O ATOM 1313 NE2 GLN A 88 9.115 16.902 3.264 1.00 0.00 N ATOM 0 H GLN A 88 10.288 12.521 3.946 1.00 0.00 H new ATOM 0 HA GLN A 88 8.216 13.190 2.112 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.826 14.083 2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.964 13.660 1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 88 10.242 15.970 1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 88 8.836 15.038 0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.894 17.427 2.866 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.613 17.269 4.072 1.00 0.00 H new ATOM 1322 N VAL A 89 10.367 10.977 0.918 1.00 0.00 N ATOM 1323 CA VAL A 89 10.564 10.011 -0.201 1.00 0.00 C ATOM 1324 C VAL A 89 9.494 8.925 -0.167 1.00 0.00 C ATOM 1325 O VAL A 89 8.935 8.566 -1.198 1.00 0.00 O ATOM 1326 CB VAL A 89 11.953 9.400 -0.052 1.00 0.00 C ATOM 1327 CG1 VAL A 89 12.232 8.430 -1.199 1.00 0.00 C ATOM 1328 CG2 VAL A 89 12.973 10.523 -0.079 1.00 0.00 C ATOM 0 H VAL A 89 11.083 10.938 1.644 1.00 0.00 H new ATOM 0 HA VAL A 89 10.479 10.523 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 89 12.014 8.851 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.227 8.002 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.490 7.632 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.178 8.964 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.975 10.107 0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.900 11.058 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.778 11.212 0.743 1.00 0.00 H new ATOM 1338 N GLN A 90 9.206 8.409 1.003 1.00 0.00 N ATOM 1339 CA GLN A 90 8.168 7.344 1.124 1.00 0.00 C ATOM 1340 C GLN A 90 6.801 7.941 0.800 1.00 0.00 C ATOM 1341 O GLN A 90 5.913 7.246 0.340 1.00 0.00 O ATOM 1342 CB GLN A 90 8.168 6.779 2.546 1.00 0.00 C ATOM 1343 CG GLN A 90 9.300 5.759 2.685 1.00 0.00 C ATOM 1344 CD GLN A 90 9.634 5.565 4.164 1.00 0.00 C ATOM 1345 OE1 GLN A 90 8.914 4.895 4.878 1.00 0.00 O ATOM 1346 NE2 GLN A 90 10.703 6.127 4.657 1.00 0.00 N ATOM 0 H GLN A 90 9.648 8.682 1.881 1.00 0.00 H new ATOM 0 HA GLN A 90 8.387 6.536 0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.298 7.584 3.269 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.209 6.307 2.762 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.004 4.809 2.241 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.182 6.103 2.144 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.307 6.689 4.057 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.935 6.004 5.643 1.00 0.00 H new ATOM 1355 N ARG A 91 6.636 9.228 1.033 1.00 0.00 N ATOM 1356 CA ARG A 91 5.333 9.905 0.740 1.00 0.00 C ATOM 1357 C ARG A 91 5.214 10.191 -0.761 1.00 0.00 C ATOM 1358 O ARG A 91 4.119 10.291 -1.284 1.00 0.00 O ATOM 1359 CB ARG A 91 5.224 11.211 1.531 1.00 0.00 C ATOM 1360 CG ARG A 91 3.768 11.694 1.526 1.00 0.00 C ATOM 1361 CD ARG A 91 2.879 10.669 2.238 1.00 0.00 C ATOM 1362 NE ARG A 91 1.623 11.332 2.703 1.00 0.00 N ATOM 1363 CZ ARG A 91 0.448 10.852 2.369 1.00 0.00 C ATOM 1364 NH1 ARG A 91 0.285 9.572 2.149 1.00 0.00 N ATOM 1365 NH2 ARG A 91 -0.573 11.659 2.273 1.00 0.00 N ATOM 0 H ARG A 91 7.357 9.839 1.417 1.00 0.00 H new ATOM 0 HA ARG A 91 4.521 9.243 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.563 11.057 2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.871 11.970 1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.694 12.661 2.024 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.426 11.836 0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.640 9.848 1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.411 10.239 3.087 1.00 0.00 H new ATOM 0 HE ARG A 91 1.680 12.167 3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.077 8.935 2.237 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.634 9.212 1.890 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.455 12.655 2.457 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.489 11.294 2.014 1.00 0.00 H new ATOM 1379 N ALA A 92 6.330 10.342 -1.446 1.00 0.00 N ATOM 1380 CA ALA A 92 6.295 10.630 -2.915 1.00 0.00 C ATOM 1381 C ALA A 92 5.988 9.344 -3.697 1.00 0.00 C ATOM 1382 O ALA A 92 5.143 9.338 -4.577 1.00 0.00 O ATOM 1383 CB ALA A 92 7.652 11.179 -3.355 1.00 0.00 C ATOM 0 H ALA A 92 7.265 10.277 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 92 5.515 11.365 -3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 92 7.630 11.390 -4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.868 12.097 -2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.428 10.442 -3.146 1.00 0.00 H new ATOM 1389 N PHE A 93 6.688 8.271 -3.391 1.00 0.00 N ATOM 1390 CA PHE A 93 6.477 6.965 -4.112 1.00 0.00 C ATOM 1391 C PHE A 93 5.217 6.244 -3.592 1.00 0.00 C ATOM 1392 O PHE A 93 4.618 5.452 -4.301 1.00 0.00 O ATOM 1393 CB PHE A 93 7.713 6.082 -3.878 1.00 0.00 C ATOM 1394 CG PHE A 93 7.534 4.724 -4.526 1.00 0.00 C ATOM 1395 CD1 PHE A 93 6.871 3.700 -3.835 1.00 0.00 C ATOM 1396 CD2 PHE A 93 8.027 4.492 -5.813 1.00 0.00 C ATOM 1397 CE1 PHE A 93 6.704 2.446 -4.433 1.00 0.00 C ATOM 1398 CE2 PHE A 93 7.860 3.239 -6.411 1.00 0.00 C ATOM 1399 CZ PHE A 93 7.199 2.215 -5.722 1.00 0.00 C ATOM 0 H PHE A 93 7.404 8.243 -2.665 1.00 0.00 H new ATOM 0 HA PHE A 93 6.337 7.158 -5.176 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.598 6.571 -4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.881 5.960 -2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.489 3.879 -2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.537 5.281 -6.346 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.194 1.657 -3.901 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.241 3.061 -7.406 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.071 1.248 -6.185 1.00 0.00 H new ATOM 1409 N ALA A 94 4.855 6.482 -2.354 1.00 0.00 N ATOM 1410 CA ALA A 94 3.675 5.792 -1.732 1.00 0.00 C ATOM 1411 C ALA A 94 2.380 5.926 -2.568 1.00 0.00 C ATOM 1412 O ALA A 94 1.728 4.926 -2.792 1.00 0.00 O ATOM 1413 CB ALA A 94 3.424 6.371 -0.339 1.00 0.00 C ATOM 0 H ALA A 94 5.335 7.136 -1.736 1.00 0.00 H new ATOM 0 HA ALA A 94 3.922 4.732 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.568 5.871 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.305 6.216 0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.220 7.439 -0.420 1.00 0.00 H new ATOM 1419 N PRO A 95 2.009 7.142 -2.966 1.00 0.00 N ATOM 1420 CA PRO A 95 0.758 7.377 -3.725 1.00 0.00 C ATOM 1421 C PRO A 95 0.850 6.847 -5.162 1.00 0.00 C ATOM 1422 O PRO A 95 1.109 7.577 -6.103 1.00 0.00 O ATOM 1423 CB PRO A 95 0.572 8.898 -3.676 1.00 0.00 C ATOM 1424 CG PRO A 95 1.964 9.496 -3.383 1.00 0.00 C ATOM 1425 CD PRO A 95 2.787 8.378 -2.715 1.00 0.00 C ATOM 0 HA PRO A 95 -0.093 6.846 -3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.179 9.272 -4.621 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.142 9.178 -2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.443 9.834 -4.302 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.884 10.363 -2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.787 8.311 -3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.910 8.560 -1.647 1.00 0.00 H new ATOM 1433 N LYS A 96 0.617 5.559 -5.308 1.00 0.00 N ATOM 1434 CA LYS A 96 0.646 4.868 -6.649 1.00 0.00 C ATOM 1435 C LYS A 96 0.719 3.340 -6.412 1.00 0.00 C ATOM 1436 O LYS A 96 1.649 2.669 -6.839 1.00 0.00 O ATOM 1437 CB LYS A 96 1.866 5.349 -7.473 1.00 0.00 C ATOM 1438 CG LYS A 96 1.393 6.133 -8.712 1.00 0.00 C ATOM 1439 CD LYS A 96 2.000 7.548 -8.713 1.00 0.00 C ATOM 1440 CE LYS A 96 0.882 8.595 -8.781 1.00 0.00 C ATOM 1441 NZ LYS A 96 1.303 9.714 -9.670 1.00 0.00 N ATOM 0 H LYS A 96 0.401 4.937 -4.529 1.00 0.00 H new ATOM 0 HA LYS A 96 -0.255 5.110 -7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.505 5.980 -6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.466 4.493 -7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 96 1.685 5.604 -9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.305 6.197 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.596 7.698 -7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.672 7.665 -9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.034 8.141 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.662 8.973 -7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.545 10.424 -9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.166 10.153 -9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.492 9.347 -10.624 1.00 0.00 H new ATOM 1455 N LEU A 97 -0.247 2.797 -5.687 1.00 0.00 N ATOM 1456 CA LEU A 97 -0.228 1.323 -5.364 1.00 0.00 C ATOM 1457 C LEU A 97 -0.893 0.432 -6.453 1.00 0.00 C ATOM 1458 O LEU A 97 -0.242 -0.478 -6.944 1.00 0.00 O ATOM 1459 CB LEU A 97 -0.820 1.077 -3.953 1.00 0.00 C ATOM 1460 CG LEU A 97 -2.357 1.058 -3.931 1.00 0.00 C ATOM 1461 CD1 LEU A 97 -2.821 0.515 -2.579 1.00 0.00 C ATOM 1462 CD2 LEU A 97 -2.910 2.476 -4.109 1.00 0.00 C ATOM 0 H LEU A 97 -1.043 3.310 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 97 0.816 1.011 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.447 0.127 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.464 1.854 -3.277 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.719 0.429 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.910 0.496 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.436 -0.496 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.447 1.157 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.999 2.447 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.551 3.111 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.573 2.881 -5.064 1.00 0.00 H new ATOM 1474 N VAL A 98 -2.158 0.638 -6.827 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.802 -0.243 -7.852 1.00 0.00 C ATOM 1476 C VAL A 98 -2.644 0.340 -9.262 1.00 0.00 C ATOM 1477 O VAL A 98 -3.436 0.047 -10.152 1.00 0.00 O ATOM 1478 CB VAL A 98 -4.284 -0.409 -7.520 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -4.422 -0.882 -6.083 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -5.031 0.924 -7.681 1.00 0.00 C ATOM 0 H VAL A 98 -2.756 1.378 -6.460 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.308 -1.215 -7.832 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.715 -1.139 -8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.478 -1.003 -5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.911 -1.837 -5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.977 -0.146 -5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.084 0.782 -7.440 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.601 1.666 -7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.938 1.271 -8.710 1.00 0.00 H new ATOM 1490 N THR A 99 -1.635 1.140 -9.479 1.00 0.00 N ATOM 1491 CA THR A 99 -1.424 1.711 -10.845 1.00 0.00 C ATOM 1492 C THR A 99 -0.513 0.771 -11.635 1.00 0.00 C ATOM 1493 O THR A 99 0.039 -0.163 -11.075 1.00 0.00 O ATOM 1494 CB THR A 99 -0.791 3.103 -10.762 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.555 3.001 -10.313 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.584 3.959 -9.788 1.00 0.00 C ATOM 0 H THR A 99 -0.951 1.423 -8.777 1.00 0.00 H new ATOM 0 HA THR A 99 -2.387 1.808 -11.345 1.00 0.00 H new ATOM 0 HB THR A 99 -0.803 3.561 -11.751 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.084 3.733 -10.695 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.136 4.951 -9.727 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.613 4.047 -10.136 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.572 3.494 -8.802 1.00 0.00 H new ATOM 1504 N GLU A 100 -0.354 0.991 -12.930 1.00 0.00 N ATOM 1505 CA GLU A 100 0.521 0.094 -13.742 1.00 0.00 C ATOM 1506 C GLU A 100 1.999 0.142 -13.276 1.00 0.00 C ATOM 1507 O GLU A 100 2.816 -0.574 -13.836 1.00 0.00 O ATOM 1508 CB GLU A 100 0.444 0.521 -15.209 1.00 0.00 C ATOM 1509 CG GLU A 100 0.961 -0.614 -16.097 1.00 0.00 C ATOM 1510 CD GLU A 100 0.652 -0.299 -17.561 1.00 0.00 C ATOM 1511 OE1 GLU A 100 -0.508 -0.077 -17.869 1.00 0.00 O ATOM 1512 OE2 GLU A 100 1.581 -0.285 -18.352 1.00 0.00 O ATOM 0 H GLU A 100 -0.794 1.751 -13.448 1.00 0.00 H new ATOM 0 HA GLU A 100 0.165 -0.928 -13.613 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.585 0.766 -15.474 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.037 1.421 -15.369 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.035 -0.737 -15.960 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.493 -1.556 -15.810 1.00 0.00 H new ATOM 1519 N VAL A 101 2.372 0.965 -12.286 1.00 0.00 N ATOM 1520 CA VAL A 101 3.807 1.012 -11.857 1.00 0.00 C ATOM 1521 C VAL A 101 4.032 0.198 -10.571 1.00 0.00 C ATOM 1522 O VAL A 101 5.140 0.178 -10.056 1.00 0.00 O ATOM 1523 CB VAL A 101 4.211 2.468 -11.608 1.00 0.00 C ATOM 1524 CG1 VAL A 101 5.719 2.542 -11.364 1.00 0.00 C ATOM 1525 CG2 VAL A 101 3.853 3.317 -12.833 1.00 0.00 C ATOM 0 H VAL A 101 1.744 1.587 -11.777 1.00 0.00 H new ATOM 0 HA VAL A 101 4.416 0.578 -12.650 1.00 0.00 H new ATOM 0 HB VAL A 101 3.679 2.847 -10.735 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.008 3.578 -11.187 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.977 1.939 -10.493 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.248 2.162 -12.238 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.141 4.353 -12.654 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.384 2.938 -13.706 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.779 3.265 -13.011 1.00 0.00 H new ATOM 1535 N GLU A 102 3.010 -0.465 -10.047 1.00 0.00 N ATOM 1536 CA GLU A 102 3.192 -1.263 -8.788 1.00 0.00 C ATOM 1537 C GLU A 102 2.552 -2.662 -8.923 1.00 0.00 C ATOM 1538 O GLU A 102 3.213 -3.600 -9.337 1.00 0.00 O ATOM 1539 CB GLU A 102 2.572 -0.497 -7.608 1.00 0.00 C ATOM 1540 CG GLU A 102 3.669 0.229 -6.823 1.00 0.00 C ATOM 1541 CD GLU A 102 4.314 1.297 -7.709 1.00 0.00 C ATOM 1542 OE1 GLU A 102 3.582 2.087 -8.280 1.00 0.00 O ATOM 1543 OE2 GLU A 102 5.530 1.303 -7.804 1.00 0.00 O ATOM 0 H GLU A 102 2.068 -0.484 -10.438 1.00 0.00 H new ATOM 0 HA GLU A 102 4.258 -1.404 -8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.839 0.222 -7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.041 -1.188 -6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.247 0.690 -5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.423 -0.484 -6.488 1.00 0.00 H new ATOM 1550 N CYS A 103 1.287 -2.813 -8.556 1.00 0.00 N ATOM 1551 CA CYS A 103 0.611 -4.153 -8.631 1.00 0.00 C ATOM 1552 C CYS A 103 -0.868 -3.963 -9.050 1.00 0.00 C ATOM 1553 O CYS A 103 -1.752 -4.635 -8.543 1.00 0.00 O ATOM 1554 CB CYS A 103 0.686 -4.800 -7.239 1.00 0.00 C ATOM 1555 SG CYS A 103 2.354 -5.448 -6.964 1.00 0.00 S ATOM 0 H CYS A 103 0.697 -2.058 -8.207 1.00 0.00 H new ATOM 0 HA CYS A 103 1.101 -4.790 -9.367 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.438 -4.067 -6.472 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.046 -5.604 -7.160 1.00 0.00 H new ATOM 1560 N ASN A 104 -1.135 -3.025 -9.954 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.540 -2.718 -10.412 1.00 0.00 C ATOM 1562 C ASN A 104 -3.464 -3.944 -10.459 1.00 0.00 C ATOM 1563 O ASN A 104 -4.458 -3.977 -9.748 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.514 -2.050 -11.798 1.00 0.00 C ATOM 1565 CG ASN A 104 -1.537 -2.771 -12.741 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -0.360 -2.872 -12.463 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -1.983 -3.276 -13.858 1.00 0.00 N ATOM 0 H ASN A 104 -0.419 -2.451 -10.399 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.953 -2.041 -9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.515 -2.060 -12.229 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.222 -1.005 -11.696 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -1.343 -3.753 -14.493 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.971 -3.194 -14.096 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.171 -4.933 -11.281 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.066 -6.141 -11.366 1.00 0.00 C ATOM 1576 C LEU A 105 -5.552 -5.720 -11.563 1.00 0.00 C ATOM 1577 O LEU A 105 -6.451 -6.497 -11.279 1.00 0.00 O ATOM 1578 CB LEU A 105 -3.941 -6.935 -10.058 1.00 0.00 C ATOM 1579 CG LEU A 105 -2.561 -7.601 -9.975 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -2.015 -7.496 -8.541 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -2.686 -9.078 -10.365 1.00 0.00 C ATOM 0 H LEU A 105 -2.355 -4.956 -11.893 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.762 -6.747 -12.219 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.085 -6.271 -9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.723 -7.693 -10.007 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.877 -7.097 -10.657 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.035 -7.971 -8.489 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.925 -6.446 -8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.698 -7.997 -7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.707 -9.554 -10.307 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.373 -9.578 -9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.067 -9.154 -11.383 1.00 0.00 H new ATOM 1593 N ALA A 106 -5.813 -4.506 -12.045 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.222 -4.030 -12.257 1.00 0.00 C ATOM 1595 C ALA A 106 -7.954 -3.963 -10.913 1.00 0.00 C ATOM 1596 O ALA A 106 -8.032 -4.944 -10.193 1.00 0.00 O ATOM 1597 CB ALA A 106 -7.958 -4.989 -13.196 1.00 0.00 C ATOM 0 H ALA A 106 -5.095 -3.827 -12.299 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.199 -3.036 -12.704 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.979 -4.639 -13.346 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.442 -5.026 -14.156 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.977 -5.986 -12.756 1.00 0.00 H new ATOM 1603 N THR A 107 -8.489 -2.806 -10.580 1.00 0.00 N ATOM 1604 CA THR A 107 -9.225 -2.635 -9.284 1.00 0.00 C ATOM 1605 C THR A 107 -10.706 -2.987 -9.524 1.00 0.00 C ATOM 1606 O THR A 107 -11.035 -3.640 -10.503 1.00 0.00 O ATOM 1607 CB THR A 107 -9.089 -1.165 -8.792 1.00 0.00 C ATOM 1608 OG1 THR A 107 -10.033 -0.329 -9.445 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.699 -0.619 -9.112 1.00 0.00 C ATOM 0 H THR A 107 -8.445 -1.967 -11.158 1.00 0.00 H new ATOM 0 HA THR A 107 -8.808 -3.290 -8.519 1.00 0.00 H new ATOM 0 HB THR A 107 -9.261 -1.167 -7.716 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.657 0.570 -9.549 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.623 0.410 -8.761 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.945 -1.229 -8.615 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.536 -0.648 -10.189 1.00 0.00 H new ATOM 1617 N ILE A 108 -11.595 -2.537 -8.658 1.00 0.00 N ATOM 1618 CA ILE A 108 -13.056 -2.809 -8.847 1.00 0.00 C ATOM 1619 C ILE A 108 -13.530 -2.060 -10.104 1.00 0.00 C ATOM 1620 O ILE A 108 -14.436 -2.488 -10.797 1.00 0.00 O ATOM 1621 CB ILE A 108 -13.834 -2.321 -7.615 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -15.318 -2.652 -7.787 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -13.666 -0.803 -7.448 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -15.956 -2.868 -6.414 1.00 0.00 C ATOM 0 H ILE A 108 -11.365 -1.992 -7.827 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.230 -3.878 -8.967 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.444 -2.821 -6.728 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -15.824 -1.841 -8.311 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.433 -3.547 -8.398 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -14.222 -0.470 -6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.610 -0.566 -7.320 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -14.047 -0.295 -8.334 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -17.013 -3.104 -6.537 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.457 -3.693 -5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.853 -1.961 -5.818 1.00 0.00 H new ATOM 1636 N HIS A 109 -12.903 -0.934 -10.375 1.00 0.00 N ATOM 1637 CA HIS A 109 -13.249 -0.084 -11.558 1.00 0.00 C ATOM 1638 C HIS A 109 -12.855 -0.757 -12.888 1.00 0.00 C ATOM 1639 O HIS A 109 -13.080 -0.183 -13.942 1.00 0.00 O ATOM 1640 CB HIS A 109 -12.483 1.234 -11.429 1.00 0.00 C ATOM 1641 CG HIS A 109 -12.996 2.008 -10.249 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -14.128 2.800 -10.321 1.00 0.00 N ATOM 1643 CD2 HIS A 109 -12.533 2.132 -8.962 1.00 0.00 C ATOM 1644 CE1 HIS A 109 -14.304 3.362 -9.113 1.00 0.00 C ATOM 1645 NE2 HIS A 109 -13.361 2.987 -8.247 1.00 0.00 N ATOM 0 H HIS A 109 -12.143 -0.562 -9.805 1.00 0.00 H new ATOM 0 HA HIS A 109 -14.328 0.072 -11.571 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -11.418 1.036 -11.310 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -12.598 1.823 -12.339 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -11.657 1.639 -8.566 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -15.112 4.037 -8.872 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -13.268 3.268 -7.271 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.264 -1.944 -12.862 1.00 0.00 N ATOM 1654 CA GLY A 110 -11.854 -2.623 -14.133 1.00 0.00 C ATOM 1655 C GLY A 110 -10.879 -1.721 -14.897 1.00 0.00 C ATOM 1656 O GLY A 110 -10.798 -1.778 -16.114 1.00 0.00 O ATOM 0 H GLY A 110 -12.052 -2.464 -12.011 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.384 -3.581 -13.912 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.731 -2.832 -14.746 1.00 0.00 H new ATOM 1660 N GLY A 111 -10.147 -0.888 -14.182 1.00 0.00 N ATOM 1661 CA GLY A 111 -9.171 0.037 -14.835 1.00 0.00 C ATOM 1662 C GLY A 111 -8.081 0.449 -13.826 1.00 0.00 C ATOM 1663 O GLY A 111 -8.224 0.201 -12.643 1.00 0.00 O ATOM 0 H GLY A 111 -10.189 -0.814 -13.166 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.715 -0.451 -15.697 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.688 0.922 -15.206 1.00 0.00 H new ATOM 1667 N PRO A 112 -7.013 1.063 -14.325 1.00 0.00 N ATOM 1668 CA PRO A 112 -5.883 1.515 -13.482 1.00 0.00 C ATOM 1669 C PRO A 112 -6.210 2.830 -12.744 1.00 0.00 C ATOM 1670 O PRO A 112 -5.702 3.888 -13.090 1.00 0.00 O ATOM 1671 CB PRO A 112 -4.742 1.714 -14.492 1.00 0.00 C ATOM 1672 CG PRO A 112 -5.398 1.904 -15.878 1.00 0.00 C ATOM 1673 CD PRO A 112 -6.830 1.356 -15.772 1.00 0.00 C ATOM 0 HA PRO A 112 -5.638 0.803 -12.694 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.139 2.583 -14.228 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.075 0.852 -14.495 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.407 2.957 -16.160 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -4.837 1.373 -16.647 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -7.560 2.084 -16.125 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -6.957 0.459 -16.377 1.00 0.00 H new ATOM 1681 N PHE A 113 -7.028 2.760 -11.707 1.00 0.00 N ATOM 1682 CA PHE A 113 -7.368 3.996 -10.912 1.00 0.00 C ATOM 1683 C PHE A 113 -8.443 3.693 -9.859 1.00 0.00 C ATOM 1684 O PHE A 113 -9.300 2.851 -10.074 1.00 0.00 O ATOM 1685 CB PHE A 113 -7.907 5.104 -11.832 1.00 0.00 C ATOM 1686 CG PHE A 113 -9.072 4.592 -12.652 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -10.336 4.425 -12.063 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -8.894 4.303 -14.009 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -11.415 3.970 -12.837 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -9.970 3.845 -14.780 1.00 0.00 C ATOM 1691 CZ PHE A 113 -11.230 3.679 -14.195 1.00 0.00 C ATOM 0 H PHE A 113 -7.473 1.903 -11.379 1.00 0.00 H new ATOM 0 HA PHE A 113 -6.451 4.325 -10.424 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.223 5.959 -11.235 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -7.114 5.453 -12.494 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -10.478 4.646 -11.015 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -7.923 4.433 -14.464 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -12.388 3.844 -12.386 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -9.827 3.620 -15.827 1.00 0.00 H new ATOM 0 HZ PHE A 113 -12.060 3.327 -14.790 1.00 0.00 H new ATOM 1701 N CYS A 114 -8.424 4.405 -8.736 1.00 0.00 N ATOM 1702 CA CYS A 114 -9.469 4.197 -7.682 1.00 0.00 C ATOM 1703 C CYS A 114 -9.930 5.577 -7.147 1.00 0.00 C ATOM 1704 O CYS A 114 -9.105 6.405 -6.796 1.00 0.00 O ATOM 1705 CB CYS A 114 -8.915 3.316 -6.541 1.00 0.00 C ATOM 1706 SG CYS A 114 -7.749 4.232 -5.490 1.00 0.00 S ATOM 0 H CYS A 114 -7.727 5.116 -8.515 1.00 0.00 H new ATOM 0 HA CYS A 114 -10.326 3.679 -8.112 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -9.741 2.947 -5.933 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -8.416 2.444 -6.964 1.00 0.00 H new ATOM 1711 N LEU A 115 -11.236 5.837 -7.091 1.00 0.00 N ATOM 1712 CA LEU A 115 -11.743 7.159 -6.583 1.00 0.00 C ATOM 1713 C LEU A 115 -11.075 8.317 -7.342 1.00 0.00 C ATOM 1714 O LEU A 115 -10.234 8.105 -8.199 1.00 0.00 O ATOM 1715 CB LEU A 115 -11.423 7.274 -5.084 1.00 0.00 C ATOM 1716 CG LEU A 115 -12.674 6.981 -4.240 1.00 0.00 C ATOM 1717 CD1 LEU A 115 -13.765 8.005 -4.559 1.00 0.00 C ATOM 1718 CD2 LEU A 115 -13.195 5.571 -4.544 1.00 0.00 C ATOM 0 H LEU A 115 -11.964 5.183 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 115 -12.820 7.215 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.629 6.575 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -11.054 8.275 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.410 7.047 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -14.650 7.793 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -13.402 9.007 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -14.022 7.946 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -14.081 5.373 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -13.451 5.498 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -12.423 4.839 -4.306 1.00 0.00 H new ATOM 1730 N SER A 116 -11.448 9.539 -7.011 1.00 0.00 N ATOM 1731 CA SER A 116 -10.850 10.744 -7.674 1.00 0.00 C ATOM 1732 C SER A 116 -11.082 10.703 -9.196 1.00 0.00 C ATOM 1733 O SER A 116 -10.396 11.387 -9.941 1.00 0.00 O ATOM 1734 CB SER A 116 -9.346 10.772 -7.387 1.00 0.00 C ATOM 1735 OG SER A 116 -8.841 12.073 -7.659 1.00 0.00 O ATOM 0 H SER A 116 -12.149 9.750 -6.301 1.00 0.00 H new ATOM 0 HA SER A 116 -11.328 11.640 -7.278 1.00 0.00 H new ATOM 0 HB2 SER A 116 -9.157 10.506 -6.347 1.00 0.00 H new ATOM 0 HB3 SER A 116 -8.833 10.034 -8.003 1.00 0.00 H new ATOM 0 HG SER A 116 -9.145 12.363 -8.544 1.00 0.00 H new ATOM 1741 N LEU A 117 -12.039 9.915 -9.661 1.00 0.00 N ATOM 1742 CA LEU A 117 -12.311 9.831 -11.135 1.00 0.00 C ATOM 1743 C LEU A 117 -12.755 11.216 -11.665 1.00 0.00 C ATOM 1744 O LEU A 117 -11.914 12.052 -11.960 1.00 0.00 O ATOM 1745 CB LEU A 117 -13.385 8.767 -11.404 1.00 0.00 C ATOM 1746 CG LEU A 117 -12.723 7.429 -11.733 1.00 0.00 C ATOM 1747 CD1 LEU A 117 -12.225 6.773 -10.444 1.00 0.00 C ATOM 1748 CD2 LEU A 117 -13.747 6.515 -12.412 1.00 0.00 C ATOM 0 H LEU A 117 -12.639 9.330 -9.079 1.00 0.00 H new ATOM 0 HA LEU A 117 -11.401 9.540 -11.660 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -14.029 8.659 -10.531 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -14.021 9.081 -12.232 1.00 0.00 H new ATOM 0 HG LEU A 117 -11.878 7.593 -12.402 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -11.753 5.819 -10.680 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -11.500 7.427 -9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -13.067 6.605 -9.772 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -13.280 5.559 -12.649 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -14.590 6.351 -11.741 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -14.101 6.984 -13.330 1.00 0.00 H new ATOM 1760 N LEU A 118 -14.053 11.458 -11.811 1.00 0.00 N ATOM 1761 CA LEU A 118 -14.543 12.775 -12.347 1.00 0.00 C ATOM 1762 C LEU A 118 -14.136 13.985 -11.478 1.00 0.00 C ATOM 1763 O LEU A 118 -14.244 15.112 -11.935 1.00 0.00 O ATOM 1764 CB LEU A 118 -16.073 12.735 -12.466 1.00 0.00 C ATOM 1765 CG LEU A 118 -16.501 12.051 -13.774 1.00 0.00 C ATOM 1766 CD1 LEU A 118 -15.982 12.852 -14.972 1.00 0.00 C ATOM 1767 CD2 LEU A 118 -15.940 10.625 -13.829 1.00 0.00 C ATOM 0 H LEU A 118 -14.790 10.792 -11.579 1.00 0.00 H new ATOM 0 HA LEU A 118 -14.072 12.912 -13.320 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -16.495 12.199 -11.615 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -16.471 13.749 -12.433 1.00 0.00 H new ATOM 0 HG LEU A 118 -17.590 12.009 -13.811 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -16.288 12.363 -15.897 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -16.394 13.861 -14.941 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.894 12.903 -14.932 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -16.249 10.148 -14.759 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.852 10.660 -13.783 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -16.321 10.051 -12.984 1.00 0.00 H new ATOM 1779 N GLY A 119 -13.685 13.784 -10.251 1.00 0.00 N ATOM 1780 CA GLY A 119 -13.293 14.939 -9.380 1.00 0.00 C ATOM 1781 C GLY A 119 -14.500 15.862 -9.189 1.00 0.00 C ATOM 1782 O GLY A 119 -14.834 16.640 -10.067 1.00 0.00 O ATOM 0 H GLY A 119 -13.574 12.866 -9.821 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -12.941 14.578 -8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -12.469 15.489 -9.835 1.00 0.00 H new ATOM 1786 N ALA A 120 -15.153 15.769 -8.049 1.00 0.00 N ATOM 1787 CA ALA A 120 -16.350 16.621 -7.769 1.00 0.00 C ATOM 1788 C ALA A 120 -15.895 17.963 -7.166 1.00 0.00 C ATOM 1789 O ALA A 120 -16.117 18.252 -5.996 1.00 0.00 O ATOM 1790 CB ALA A 120 -17.278 15.882 -6.800 1.00 0.00 C ATOM 0 H ALA A 120 -14.901 15.130 -7.295 1.00 0.00 H new ATOM 0 HA ALA A 120 -16.891 16.821 -8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -18.153 16.499 -6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -17.596 14.940 -7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -16.747 15.681 -5.870 1.00 0.00 H new ATOM 1796 N GLY A 121 -15.255 18.780 -7.973 1.00 0.00 N ATOM 1797 CA GLY A 121 -14.763 20.113 -7.500 1.00 0.00 C ATOM 1798 C GLY A 121 -15.842 21.189 -7.703 1.00 0.00 C ATOM 1799 O GLY A 121 -15.610 22.352 -7.414 1.00 0.00 O ATOM 0 H GLY A 121 -15.051 18.575 -8.951 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -14.494 20.054 -6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.860 20.388 -8.045 1.00 0.00 H new ATOM 1803 N GLU A 122 -17.012 20.813 -8.193 1.00 0.00 N ATOM 1804 CA GLU A 122 -18.109 21.808 -8.416 1.00 0.00 C ATOM 1805 C GLU A 122 -19.331 21.414 -7.583 1.00 0.00 C ATOM 1806 O GLU A 122 -19.890 20.364 -7.849 1.00 0.00 O ATOM 1807 CB GLU A 122 -18.489 21.828 -9.898 1.00 0.00 C ATOM 1808 CG GLU A 122 -19.310 23.084 -10.197 1.00 0.00 C ATOM 1809 CD GLU A 122 -20.774 22.837 -9.830 1.00 0.00 C ATOM 1810 OE1 GLU A 122 -21.384 21.982 -10.453 1.00 0.00 O ATOM 1811 OE2 GLU A 122 -21.261 23.506 -8.934 1.00 0.00 O ATOM 1812 OXT GLU A 122 -19.687 22.170 -6.694 1.00 0.00 O ATOM 0 H GLU A 122 -17.248 19.854 -8.447 1.00 0.00 H new ATOM 0 HA GLU A 122 -17.766 22.798 -8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -17.591 21.812 -10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -19.064 20.937 -10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -18.920 23.930 -9.630 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -19.227 23.342 -11.253 1.00 0.00 H new TER 1819 GLU A 122