USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 928 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 Single : A 1 GLY N :NH3+ -119:sc= 0.114 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 5:sc= 0.213 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 170:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0833 X(o=-0.083,f=-0.27) USER MOD Single : A 29 CYS SG : rot -32:sc= -8.28! USER MOD Single : A 30 HIS : no HD1:sc= -1.52! K(o=-1.5!,f=-0.35) USER MOD Single : A 32 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.3) USER MOD Single : A 33 THR OG1 : rot 149:sc= -0.122 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0198) USER MOD Single : A 36 GLN : amide:sc= -0.289 K(o=-0.29,f=-2.5!) USER MOD Single : A 38 CYS SG : rot -130:sc= -1.5 USER MOD Single : A 42 SER OG : rot 180:sc= -0.132 USER MOD Single : A 51 GLN : amide:sc= -0.844 K(o=-0.84,f=-4.5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.876 USER MOD Single : A 62 LYS NZ :NH3+ -125:sc= -0.73 (180deg=-2.54!) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= -6.11! (180deg=-6.99!) USER MOD Single : A 65 MET CE :methyl -175:sc= -3.49! (180deg=-4.03!) USER MOD Single : A 70 GLN : amide:sc= -1.83 K(o=-1.8,f=-0.88) USER MOD Single : A 74 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=-0.0053) USER MOD Single : A 75 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-3.5!) USER MOD Single : A 76 GLN : amide:sc= -0.0173 K(o=-0.017,f=-0.91) USER MOD Single : A 84 HIS : no HD1:sc= -4.88! K(o=-4.9!,f=-3.7) USER MOD Single : A 86 SER OG : rot -36:sc= 1.19 USER MOD Single : A 88 MET CE :methyl 161:sc= -0.4 (180deg=-1.08) USER MOD Single : A 91 HIS : no HD1:sc= -6.26! C(o=-6.3!,f=-7.5!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -61:sc= -0.786 USER MOD Single : A 97 GLN : amide:sc= -2.07! C(o=-2.1!,f=-7.2!) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 156:sc= -0.0116 (180deg=-0.503) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -159:sc= 0.648 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.831 9.421 -23.473 1.00 0.00 N ATOM 2 CA GLY A 1 -11.482 10.000 -22.187 1.00 0.00 C ATOM 3 C GLY A 1 -12.633 9.853 -21.189 1.00 0.00 C ATOM 4 O GLY A 1 -13.676 9.292 -21.518 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.171 8.649 -23.697 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.801 9.047 -23.434 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.771 10.152 -24.210 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.591 9.511 -21.794 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.238 11.055 -22.313 1.00 0.00 H new ATOM 8 N SER A 2 -12.403 10.368 -19.990 1.00 0.00 N ATOM 9 CA SER A 2 -13.407 10.302 -18.942 1.00 0.00 C ATOM 10 C SER A 2 -12.876 10.957 -17.666 1.00 0.00 C ATOM 11 O SER A 2 -11.713 10.777 -17.309 1.00 0.00 O ATOM 12 CB SER A 2 -13.818 8.854 -18.664 1.00 0.00 C ATOM 13 OG SER A 2 -15.184 8.754 -18.269 1.00 0.00 O ATOM 0 H SER A 2 -11.536 10.833 -19.721 1.00 0.00 H new ATOM 0 HA SER A 2 -14.290 10.844 -19.280 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.654 8.252 -19.558 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.183 8.441 -17.881 1.00 0.00 H new ATOM 0 HG SER A 2 -15.408 7.815 -18.102 1.00 0.00 H new ATOM 19 N SER A 3 -13.754 11.704 -17.013 1.00 0.00 N ATOM 20 CA SER A 3 -13.388 12.388 -15.784 1.00 0.00 C ATOM 21 C SER A 3 -14.605 12.495 -14.863 1.00 0.00 C ATOM 22 O SER A 3 -15.743 12.371 -15.314 1.00 0.00 O ATOM 23 CB SER A 3 -12.818 13.777 -16.075 1.00 0.00 C ATOM 24 OG SER A 3 -11.527 13.710 -16.673 1.00 0.00 O ATOM 0 H SER A 3 -14.718 11.851 -17.312 1.00 0.00 H new ATOM 0 HA SER A 3 -12.613 11.805 -15.286 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.496 14.316 -16.737 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.759 14.346 -15.147 1.00 0.00 H new ATOM 0 HG SER A 3 -11.294 12.774 -16.844 1.00 0.00 H new ATOM 30 N GLY A 4 -14.324 12.725 -13.588 1.00 0.00 N ATOM 31 CA GLY A 4 -15.381 12.851 -12.600 1.00 0.00 C ATOM 32 C GLY A 4 -15.039 13.924 -11.564 1.00 0.00 C ATOM 33 O GLY A 4 -14.040 14.628 -11.702 1.00 0.00 O ATOM 0 H GLY A 4 -13.379 12.827 -13.217 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.318 13.105 -13.095 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.533 11.894 -12.101 1.00 0.00 H new ATOM 37 N SER A 5 -15.887 14.014 -10.550 1.00 0.00 N ATOM 38 CA SER A 5 -15.687 14.989 -9.492 1.00 0.00 C ATOM 39 C SER A 5 -16.785 14.848 -8.435 1.00 0.00 C ATOM 40 O SER A 5 -17.948 15.146 -8.701 1.00 0.00 O ATOM 41 CB SER A 5 -15.668 16.413 -10.051 1.00 0.00 C ATOM 42 OG SER A 5 -15.255 17.365 -9.074 1.00 0.00 O ATOM 0 H SER A 5 -16.714 13.428 -10.439 1.00 0.00 H new ATOM 0 HA SER A 5 -14.719 14.797 -9.029 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.995 16.457 -10.907 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.662 16.674 -10.413 1.00 0.00 H new ATOM 0 HG SER A 5 -15.254 18.261 -9.470 1.00 0.00 H new ATOM 48 N SER A 6 -16.376 14.393 -7.260 1.00 0.00 N ATOM 49 CA SER A 6 -17.310 14.209 -6.163 1.00 0.00 C ATOM 50 C SER A 6 -16.546 13.939 -4.865 1.00 0.00 C ATOM 51 O SER A 6 -16.123 12.812 -4.613 1.00 0.00 O ATOM 52 CB SER A 6 -18.283 13.064 -6.454 1.00 0.00 C ATOM 53 OG SER A 6 -19.462 13.150 -5.658 1.00 0.00 O ATOM 0 H SER A 6 -15.410 14.146 -7.044 1.00 0.00 H new ATOM 0 HA SER A 6 -17.891 15.124 -6.052 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.556 13.080 -7.509 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.788 12.111 -6.267 1.00 0.00 H new ATOM 0 HG SER A 6 -20.058 12.403 -5.874 1.00 0.00 H new ATOM 59 N GLY A 7 -16.393 14.992 -4.075 1.00 0.00 N ATOM 60 CA GLY A 7 -15.688 14.882 -2.810 1.00 0.00 C ATOM 61 C GLY A 7 -16.663 14.623 -1.659 1.00 0.00 C ATOM 62 O GLY A 7 -17.732 15.229 -1.599 1.00 0.00 O ATOM 0 H GLY A 7 -16.746 15.925 -4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.961 14.072 -2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.130 15.799 -2.620 1.00 0.00 H new ATOM 66 N VAL A 8 -16.260 13.723 -0.775 1.00 0.00 N ATOM 67 CA VAL A 8 -17.084 13.376 0.370 1.00 0.00 C ATOM 68 C VAL A 8 -16.182 13.037 1.558 1.00 0.00 C ATOM 69 O VAL A 8 -15.082 12.518 1.379 1.00 0.00 O ATOM 70 CB VAL A 8 -18.040 12.240 0.001 1.00 0.00 C ATOM 71 CG1 VAL A 8 -17.314 10.893 -0.008 1.00 0.00 C ATOM 72 CG2 VAL A 8 -19.243 12.207 0.947 1.00 0.00 C ATOM 0 H VAL A 8 -15.373 13.223 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.705 14.222 0.665 1.00 0.00 H new ATOM 0 HB VAL A 8 -18.410 12.428 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -18.016 10.103 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -16.506 10.920 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.902 10.695 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -19.907 11.391 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -18.898 12.055 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -19.782 13.152 0.883 1.00 0.00 H new ATOM 82 N ILE A 9 -16.682 13.345 2.746 1.00 0.00 N ATOM 83 CA ILE A 9 -15.935 13.080 3.964 1.00 0.00 C ATOM 84 C ILE A 9 -14.639 13.892 3.949 1.00 0.00 C ATOM 85 O ILE A 9 -14.009 14.043 2.903 1.00 0.00 O ATOM 86 CB ILE A 9 -15.717 11.576 4.142 1.00 0.00 C ATOM 87 CG1 ILE A 9 -17.050 10.825 4.140 1.00 0.00 C ATOM 88 CG2 ILE A 9 -14.898 11.286 5.401 1.00 0.00 C ATOM 89 CD1 ILE A 9 -16.898 9.439 3.508 1.00 0.00 C ATOM 0 H ILE A 9 -17.595 13.776 2.891 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.503 13.402 4.837 1.00 0.00 H new ATOM 0 HB ILE A 9 -15.141 11.211 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -17.416 10.725 5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.795 11.400 3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.758 10.210 5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.926 11.773 5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.426 11.668 6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.860 8.927 3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.555 9.544 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.171 8.858 4.075 1.00 0.00 H new ATOM 101 N GLU A 10 -14.278 14.393 5.121 1.00 0.00 N ATOM 102 CA GLU A 10 -13.068 15.185 5.256 1.00 0.00 C ATOM 103 C GLU A 10 -12.251 14.707 6.458 1.00 0.00 C ATOM 104 O GLU A 10 -12.747 14.692 7.584 1.00 0.00 O ATOM 105 CB GLU A 10 -13.398 16.675 5.376 1.00 0.00 C ATOM 106 CG GLU A 10 -14.024 17.203 4.083 1.00 0.00 C ATOM 107 CD GLU A 10 -13.100 18.212 3.399 1.00 0.00 C ATOM 108 OE1 GLU A 10 -13.075 19.370 3.871 1.00 0.00 O ATOM 109 OE2 GLU A 10 -12.438 17.804 2.420 1.00 0.00 O ATOM 0 H GLU A 10 -14.803 14.266 5.986 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.468 15.050 4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.084 16.833 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.490 17.235 5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.225 16.372 3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.982 17.674 4.304 1.00 0.00 H new ATOM 116 N SER A 11 -11.013 14.327 6.178 1.00 0.00 N ATOM 117 CA SER A 11 -10.122 13.849 7.223 1.00 0.00 C ATOM 118 C SER A 11 -8.727 13.600 6.647 1.00 0.00 C ATOM 119 O SER A 11 -8.577 13.382 5.446 1.00 0.00 O ATOM 120 CB SER A 11 -10.666 12.573 7.868 1.00 0.00 C ATOM 121 OG SER A 11 -10.853 11.530 6.915 1.00 0.00 O ATOM 0 H SER A 11 -10.605 14.340 5.243 1.00 0.00 H new ATOM 0 HA SER A 11 -10.057 14.615 7.995 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.977 12.237 8.643 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.615 12.791 8.358 1.00 0.00 H new ATOM 0 HG SER A 11 -11.200 10.732 7.367 1.00 0.00 H new ATOM 127 N GLU A 12 -7.741 13.641 7.531 1.00 0.00 N ATOM 128 CA GLU A 12 -6.363 13.422 7.126 1.00 0.00 C ATOM 129 C GLU A 12 -5.905 12.022 7.537 1.00 0.00 C ATOM 130 O GLU A 12 -6.568 11.355 8.330 1.00 0.00 O ATOM 131 CB GLU A 12 -5.442 14.494 7.713 1.00 0.00 C ATOM 132 CG GLU A 12 -5.040 15.515 6.646 1.00 0.00 C ATOM 133 CD GLU A 12 -5.803 16.829 6.830 1.00 0.00 C ATOM 134 OE1 GLU A 12 -7.048 16.780 6.738 1.00 0.00 O ATOM 135 OE2 GLU A 12 -5.123 17.853 7.058 1.00 0.00 O ATOM 0 H GLU A 12 -7.869 13.823 8.526 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.308 13.497 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.946 15.001 8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.550 14.025 8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.968 15.702 6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.241 15.109 5.655 1.00 0.00 H new ATOM 142 N THR A 13 -4.774 11.616 6.978 1.00 0.00 N ATOM 143 CA THR A 13 -4.219 10.307 7.276 1.00 0.00 C ATOM 144 C THR A 13 -2.752 10.431 7.693 1.00 0.00 C ATOM 145 O THR A 13 -2.027 11.281 7.179 1.00 0.00 O ATOM 146 CB THR A 13 -4.430 9.414 6.052 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.711 8.828 6.265 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.474 8.220 6.026 1.00 0.00 C ATOM 0 H THR A 13 -4.227 12.171 6.320 1.00 0.00 H new ATOM 0 HA THR A 13 -4.726 9.846 8.124 1.00 0.00 H new ATOM 0 HB THR A 13 -4.298 10.005 5.146 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.998 8.364 5.451 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.666 7.619 5.137 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.445 8.578 6.006 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.629 7.610 6.916 1.00 0.00 H new ATOM 156 N LEU A 14 -2.359 9.571 8.621 1.00 0.00 N ATOM 157 CA LEU A 14 -0.992 9.573 9.112 1.00 0.00 C ATOM 158 C LEU A 14 -0.209 8.445 8.437 1.00 0.00 C ATOM 159 O LEU A 14 -0.767 7.390 8.138 1.00 0.00 O ATOM 160 CB LEU A 14 -0.971 9.507 10.640 1.00 0.00 C ATOM 161 CG LEU A 14 -1.705 10.634 11.370 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.312 10.133 12.683 1.00 0.00 C ATOM 163 CD2 LEU A 14 -0.785 11.837 11.587 1.00 0.00 C ATOM 0 H LEU A 14 -2.964 8.868 9.046 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.495 10.507 8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.406 8.557 10.949 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.068 9.504 10.970 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.530 10.968 10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.828 10.954 13.182 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.021 9.332 12.474 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.520 9.756 13.330 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.331 12.624 12.108 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.074 11.535 12.186 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.442 12.211 10.623 1.00 0.00 H new ATOM 175 N ILE A 15 1.071 8.705 8.216 1.00 0.00 N ATOM 176 CA ILE A 15 1.935 7.724 7.582 1.00 0.00 C ATOM 177 C ILE A 15 1.948 6.444 8.420 1.00 0.00 C ATOM 178 O ILE A 15 1.654 5.363 7.913 1.00 0.00 O ATOM 179 CB ILE A 15 3.326 8.314 7.339 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.189 7.360 6.510 1.00 0.00 C ATOM 181 CG2 ILE A 15 3.999 8.693 8.660 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.546 7.988 6.188 1.00 0.00 C ATOM 0 H ILE A 15 1.531 9.581 8.465 1.00 0.00 H new ATOM 0 HA ILE A 15 1.550 7.457 6.598 1.00 0.00 H new ATOM 0 HB ILE A 15 3.212 9.231 6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.336 6.429 7.057 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.672 7.108 5.584 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.986 9.110 8.459 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.391 9.434 9.179 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.100 7.805 9.285 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.139 7.289 5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.396 8.906 5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.071 8.216 7.116 1.00 0.00 H new ATOM 194 N GLU A 16 2.291 6.609 9.689 1.00 0.00 N ATOM 195 CA GLU A 16 2.345 5.480 10.602 1.00 0.00 C ATOM 196 C GLU A 16 1.015 4.724 10.592 1.00 0.00 C ATOM 197 O GLU A 16 0.984 3.512 10.795 1.00 0.00 O ATOM 198 CB GLU A 16 2.706 5.936 12.017 1.00 0.00 C ATOM 199 CG GLU A 16 4.184 6.323 12.108 1.00 0.00 C ATOM 200 CD GLU A 16 4.604 6.541 13.563 1.00 0.00 C ATOM 201 OE1 GLU A 16 4.292 7.632 14.087 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.229 5.611 14.119 1.00 0.00 O ATOM 0 H GLU A 16 2.534 7.507 10.106 1.00 0.00 H new ATOM 0 HA GLU A 16 3.128 4.802 10.263 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.086 6.787 12.298 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.491 5.137 12.726 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.797 5.540 11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.362 7.232 11.534 1.00 0.00 H new ATOM 209 N ASP A 17 -0.052 5.473 10.355 1.00 0.00 N ATOM 210 CA ASP A 17 -1.382 4.889 10.316 1.00 0.00 C ATOM 211 C ASP A 17 -1.525 4.041 9.051 1.00 0.00 C ATOM 212 O ASP A 17 -2.263 3.056 9.039 1.00 0.00 O ATOM 213 CB ASP A 17 -2.460 5.975 10.281 1.00 0.00 C ATOM 214 CG ASP A 17 -3.197 6.197 11.603 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.556 5.980 12.653 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.385 6.580 11.533 1.00 0.00 O ATOM 0 H ASP A 17 -0.023 6.479 10.188 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.510 4.282 11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.998 6.915 9.978 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.190 5.716 9.514 1.00 0.00 H new ATOM 221 N VAL A 18 -0.808 4.453 8.016 1.00 0.00 N ATOM 222 CA VAL A 18 -0.846 3.743 6.749 1.00 0.00 C ATOM 223 C VAL A 18 0.270 2.696 6.722 1.00 0.00 C ATOM 224 O VAL A 18 0.226 1.756 5.930 1.00 0.00 O ATOM 225 CB VAL A 18 -0.760 4.737 5.589 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.821 4.015 4.241 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.858 5.797 5.693 1.00 0.00 C ATOM 0 H VAL A 18 -0.197 5.270 8.029 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.792 3.213 6.637 1.00 0.00 H new ATOM 0 HB VAL A 18 0.203 5.244 5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.758 4.745 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.012 3.316 4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.761 3.469 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.774 6.491 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.834 5.313 5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.749 6.343 6.630 1.00 0.00 H new ATOM 237 N LEU A 19 1.244 2.893 7.599 1.00 0.00 N ATOM 238 CA LEU A 19 2.369 1.978 7.686 1.00 0.00 C ATOM 239 C LEU A 19 2.043 0.870 8.690 1.00 0.00 C ATOM 240 O LEU A 19 2.378 -0.292 8.467 1.00 0.00 O ATOM 241 CB LEU A 19 3.656 2.740 8.007 1.00 0.00 C ATOM 242 CG LEU A 19 4.407 3.323 6.808 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.435 2.326 6.268 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.433 3.787 5.724 1.00 0.00 C ATOM 0 H LEU A 19 1.277 3.673 8.255 1.00 0.00 H new ATOM 0 HA LEU A 19 2.543 1.496 6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.412 3.555 8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.329 2.069 8.541 1.00 0.00 H new ATOM 0 HG LEU A 19 4.957 4.202 7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.955 2.765 5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.156 2.088 7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.927 1.415 5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.993 4.197 4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.836 2.940 5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.775 4.555 6.131 1.00 0.00 H new ATOM 256 N ARG A 20 1.394 1.270 9.773 1.00 0.00 N ATOM 257 CA ARG A 20 1.019 0.326 10.812 1.00 0.00 C ATOM 258 C ARG A 20 0.587 -1.004 10.190 1.00 0.00 C ATOM 259 O ARG A 20 1.098 -2.060 10.558 1.00 0.00 O ATOM 260 CB ARG A 20 -0.123 0.875 11.669 1.00 0.00 C ATOM 261 CG ARG A 20 0.265 0.901 13.149 1.00 0.00 C ATOM 262 CD ARG A 20 1.472 1.812 13.383 1.00 0.00 C ATOM 263 NE ARG A 20 1.603 2.118 14.825 1.00 0.00 N ATOM 264 CZ ARG A 20 2.163 1.292 15.720 1.00 0.00 C ATOM 265 NH1 ARG A 20 2.647 0.106 15.327 1.00 0.00 N ATOM 266 NH2 ARG A 20 2.239 1.653 17.008 1.00 0.00 N ATOM 0 H ARG A 20 1.118 2.235 9.954 1.00 0.00 H new ATOM 0 HA ARG A 20 1.891 0.168 11.447 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.379 1.882 11.339 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.012 0.260 11.533 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.579 1.250 13.744 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.497 -0.109 13.486 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.379 1.328 13.022 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.356 2.736 12.816 1.00 0.00 H new ATOM 0 HE ARG A 20 1.245 3.013 15.159 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.589 -0.169 14.346 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.073 -0.522 16.008 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.871 2.556 17.307 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.665 1.025 17.689 1.00 0.00 H new ATOM 280 N PRO A 21 -0.374 -0.905 9.234 1.00 0.00 N ATOM 281 CA PRO A 21 -0.881 -2.087 8.557 1.00 0.00 C ATOM 282 C PRO A 21 0.131 -2.610 7.536 1.00 0.00 C ATOM 283 O PRO A 21 0.569 -3.757 7.621 1.00 0.00 O ATOM 284 CB PRO A 21 -2.191 -1.648 7.924 1.00 0.00 C ATOM 285 CG PRO A 21 -2.141 -0.129 7.875 1.00 0.00 C ATOM 286 CD PRO A 21 -1.002 0.329 8.772 1.00 0.00 C ATOM 0 HA PRO A 21 -1.044 -2.923 9.237 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.302 -2.068 6.924 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.043 -1.992 8.510 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.984 0.215 6.853 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.087 0.295 8.212 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.294 0.953 8.226 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.371 0.923 9.608 1.00 0.00 H new ATOM 294 N LEU A 22 0.474 -1.744 6.593 1.00 0.00 N ATOM 295 CA LEU A 22 1.426 -2.104 5.556 1.00 0.00 C ATOM 296 C LEU A 22 2.619 -2.821 6.192 1.00 0.00 C ATOM 297 O LEU A 22 3.284 -3.624 5.540 1.00 0.00 O ATOM 298 CB LEU A 22 1.814 -0.873 4.734 1.00 0.00 C ATOM 299 CG LEU A 22 0.989 -0.623 3.471 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.369 0.710 2.823 1.00 0.00 C ATOM 301 CD2 LEU A 22 1.115 -1.792 2.492 1.00 0.00 C ATOM 0 H LEU A 22 0.109 -0.794 6.526 1.00 0.00 H new ATOM 0 HA LEU A 22 0.975 -2.801 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.737 0.006 5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.861 -0.968 4.447 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.061 -0.555 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.768 0.863 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.185 1.522 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.425 0.695 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.518 -1.588 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.160 -1.917 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.757 -2.705 2.968 1.00 0.00 H new ATOM 313 N GLU A 23 2.853 -2.504 7.457 1.00 0.00 N ATOM 314 CA GLU A 23 3.954 -3.108 8.188 1.00 0.00 C ATOM 315 C GLU A 23 3.498 -4.405 8.859 1.00 0.00 C ATOM 316 O GLU A 23 4.193 -5.418 8.795 1.00 0.00 O ATOM 317 CB GLU A 23 4.530 -2.132 9.216 1.00 0.00 C ATOM 318 CG GLU A 23 5.547 -1.190 8.568 1.00 0.00 C ATOM 319 CD GLU A 23 6.565 -0.691 9.596 1.00 0.00 C ATOM 320 OE1 GLU A 23 6.111 -0.173 10.639 1.00 0.00 O ATOM 321 OE2 GLU A 23 7.774 -0.839 9.315 1.00 0.00 O ATOM 0 H GLU A 23 2.299 -1.837 7.994 1.00 0.00 H new ATOM 0 HA GLU A 23 4.747 -3.348 7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.723 -1.551 9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.007 -2.688 10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.064 -1.708 7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.029 -0.341 8.122 1.00 0.00 H new ATOM 328 N GLN A 24 2.334 -4.331 9.487 1.00 0.00 N ATOM 329 CA GLN A 24 1.777 -5.487 10.169 1.00 0.00 C ATOM 330 C GLN A 24 1.556 -6.632 9.178 1.00 0.00 C ATOM 331 O GLN A 24 1.765 -7.797 9.514 1.00 0.00 O ATOM 332 CB GLN A 24 0.476 -5.125 10.888 1.00 0.00 C ATOM 333 CG GLN A 24 -0.736 -5.379 9.989 1.00 0.00 C ATOM 334 CD GLN A 24 -2.039 -5.040 10.716 1.00 0.00 C ATOM 335 OE1 GLN A 24 -2.198 -3.978 11.295 1.00 0.00 O ATOM 336 NE2 GLN A 24 -2.958 -5.999 10.655 1.00 0.00 N ATOM 0 H GLN A 24 1.761 -3.489 9.538 1.00 0.00 H new ATOM 0 HA GLN A 24 2.490 -5.818 10.924 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.385 -5.713 11.801 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.500 -4.076 11.185 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.654 -4.778 9.083 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.750 -6.424 9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.759 -6.864 10.153 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.862 -5.869 11.110 1.00 0.00 H new ATOM 345 N ALA A 25 1.136 -6.261 7.978 1.00 0.00 N ATOM 346 CA ALA A 25 0.884 -7.243 6.937 1.00 0.00 C ATOM 347 C ALA A 25 2.181 -7.992 6.624 1.00 0.00 C ATOM 348 O ALA A 25 2.193 -9.220 6.561 1.00 0.00 O ATOM 349 CB ALA A 25 0.303 -6.544 5.706 1.00 0.00 C ATOM 0 H ALA A 25 0.964 -5.294 7.703 1.00 0.00 H new ATOM 0 HA ALA A 25 0.151 -7.978 7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.114 -7.280 4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.632 -6.052 5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.012 -5.801 5.341 1.00 0.00 H new ATOM 355 N LEU A 26 3.242 -7.220 6.436 1.00 0.00 N ATOM 356 CA LEU A 26 4.541 -7.795 6.131 1.00 0.00 C ATOM 357 C LEU A 26 4.903 -8.825 7.204 1.00 0.00 C ATOM 358 O LEU A 26 5.039 -10.011 6.910 1.00 0.00 O ATOM 359 CB LEU A 26 5.588 -6.693 5.959 1.00 0.00 C ATOM 360 CG LEU A 26 6.939 -7.134 5.392 1.00 0.00 C ATOM 361 CD1 LEU A 26 6.787 -7.671 3.968 1.00 0.00 C ATOM 362 CD2 LEU A 26 7.963 -6.000 5.471 1.00 0.00 C ATOM 0 H LEU A 26 3.228 -6.201 6.489 1.00 0.00 H new ATOM 0 HA LEU A 26 4.509 -8.324 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.175 -5.926 5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.758 -6.226 6.929 1.00 0.00 H new ATOM 0 HG LEU A 26 7.316 -7.952 6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.762 -7.977 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.114 -8.528 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.377 -6.891 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.914 -6.340 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.605 -5.146 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.100 -5.705 6.511 1.00 0.00 H new ATOM 374 N GLU A 27 5.048 -8.333 8.425 1.00 0.00 N ATOM 375 CA GLU A 27 5.392 -9.195 9.543 1.00 0.00 C ATOM 376 C GLU A 27 4.682 -10.544 9.411 1.00 0.00 C ATOM 377 O GLU A 27 5.218 -11.574 9.816 1.00 0.00 O ATOM 378 CB GLU A 27 5.053 -8.525 10.877 1.00 0.00 C ATOM 379 CG GLU A 27 6.203 -7.635 11.351 1.00 0.00 C ATOM 380 CD GLU A 27 6.537 -7.907 12.819 1.00 0.00 C ATOM 381 OE1 GLU A 27 5.580 -7.945 13.622 1.00 0.00 O ATOM 382 OE2 GLU A 27 7.743 -8.071 13.106 1.00 0.00 O ATOM 0 H GLU A 27 4.934 -7.348 8.665 1.00 0.00 H new ATOM 0 HA GLU A 27 6.468 -9.369 9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.147 -7.928 10.769 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.845 -9.287 11.628 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.084 -7.814 10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.933 -6.587 11.224 1.00 0.00 H new ATOM 389 N ASP A 28 3.486 -10.493 8.843 1.00 0.00 N ATOM 390 CA ASP A 28 2.697 -11.699 8.652 1.00 0.00 C ATOM 391 C ASP A 28 3.323 -12.542 7.540 1.00 0.00 C ATOM 392 O ASP A 28 3.623 -13.718 7.741 1.00 0.00 O ATOM 393 CB ASP A 28 1.264 -11.359 8.238 1.00 0.00 C ATOM 394 CG ASP A 28 0.176 -11.912 9.161 1.00 0.00 C ATOM 395 OD1 ASP A 28 0.400 -13.015 9.705 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.855 -11.219 9.302 1.00 0.00 O ATOM 0 H ASP A 28 3.044 -9.636 8.509 1.00 0.00 H new ATOM 0 HA ASP A 28 2.680 -12.244 9.596 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.163 -10.275 8.191 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.093 -11.739 7.231 1.00 0.00 H new ATOM 401 N CYS A 29 3.501 -11.909 6.389 1.00 0.00 N ATOM 402 CA CYS A 29 4.085 -12.586 5.245 1.00 0.00 C ATOM 403 C CYS A 29 5.473 -13.093 5.643 1.00 0.00 C ATOM 404 O CYS A 29 5.870 -14.192 5.260 1.00 0.00 O ATOM 405 CB CYS A 29 4.142 -11.675 4.016 1.00 0.00 C ATOM 406 SG CYS A 29 5.506 -10.469 4.194 1.00 0.00 S ATOM 0 H CYS A 29 3.251 -10.934 6.225 1.00 0.00 H new ATOM 0 HA CYS A 29 3.458 -13.431 4.961 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.289 -12.273 3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.194 -11.150 3.898 1.00 0.00 H new ATOM 0 HG CYS A 29 5.661 -10.172 5.450 1.00 0.00 H new ATOM 412 N HIS A 30 6.172 -12.268 6.409 1.00 0.00 N ATOM 413 CA HIS A 30 7.506 -12.619 6.864 1.00 0.00 C ATOM 414 C HIS A 30 7.467 -13.974 7.572 1.00 0.00 C ATOM 415 O HIS A 30 8.405 -14.763 7.463 1.00 0.00 O ATOM 416 CB HIS A 30 8.091 -11.509 7.739 1.00 0.00 C ATOM 417 CG HIS A 30 8.830 -12.012 8.957 1.00 0.00 C ATOM 418 ND1 HIS A 30 10.196 -11.863 9.119 1.00 0.00 N ATOM 419 CD2 HIS A 30 8.378 -12.662 10.068 1.00 0.00 C ATOM 420 CE1 HIS A 30 10.541 -12.403 10.279 1.00 0.00 C ATOM 421 NE2 HIS A 30 9.413 -12.898 10.865 1.00 0.00 N ATOM 0 H HIS A 30 5.839 -11.357 6.726 1.00 0.00 H new ATOM 0 HA HIS A 30 8.173 -12.715 6.007 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.771 -10.906 7.137 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.284 -10.852 8.062 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.353 -12.938 10.265 1.00 0.00 H new ATOM 0 HE1 HIS A 30 11.540 -12.444 10.688 1.00 0.00 H new ATOM 0 HE2 HIS A 30 9.372 -13.372 11.767 1.00 0.00 H new ATOM 429 N GLY A 31 6.372 -14.203 8.282 1.00 0.00 N ATOM 430 CA GLY A 31 6.198 -15.450 9.008 1.00 0.00 C ATOM 431 C GLY A 31 5.328 -16.428 8.217 1.00 0.00 C ATOM 432 O GLY A 31 4.587 -17.218 8.801 1.00 0.00 O ATOM 0 H GLY A 31 5.596 -13.546 8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.171 -15.900 9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.739 -15.250 9.976 1.00 0.00 H new ATOM 436 N HIS A 32 5.446 -16.344 6.900 1.00 0.00 N ATOM 437 CA HIS A 32 4.679 -17.213 6.023 1.00 0.00 C ATOM 438 C HIS A 32 5.354 -17.282 4.652 1.00 0.00 C ATOM 439 O HIS A 32 5.982 -18.284 4.316 1.00 0.00 O ATOM 440 CB HIS A 32 3.221 -16.755 5.944 1.00 0.00 C ATOM 441 CG HIS A 32 2.329 -17.361 7.001 1.00 0.00 C ATOM 442 ND1 HIS A 32 1.969 -18.698 7.001 1.00 0.00 N ATOM 443 CD2 HIS A 32 1.729 -16.800 8.090 1.00 0.00 C ATOM 444 CE1 HIS A 32 1.187 -18.920 8.047 1.00 0.00 C ATOM 445 NE2 HIS A 32 1.039 -17.743 8.720 1.00 0.00 N ATOM 0 H HIS A 32 6.061 -15.688 6.419 1.00 0.00 H new ATOM 0 HA HIS A 32 4.660 -18.223 6.431 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.187 -15.669 6.033 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.824 -17.007 4.960 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.803 -15.765 8.389 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.744 -19.867 8.319 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.488 -17.609 9.568 1.00 0.00 H new ATOM 453 N THR A 33 5.200 -16.204 3.897 1.00 0.00 N ATOM 454 CA THR A 33 5.787 -16.130 2.570 1.00 0.00 C ATOM 455 C THR A 33 7.312 -16.219 2.655 1.00 0.00 C ATOM 456 O THR A 33 7.898 -15.912 3.692 1.00 0.00 O ATOM 457 CB THR A 33 5.289 -14.846 1.904 1.00 0.00 C ATOM 458 OG1 THR A 33 4.092 -15.241 1.239 1.00 0.00 O ATOM 459 CG2 THR A 33 6.207 -14.379 0.772 1.00 0.00 C ATOM 0 H THR A 33 4.677 -15.375 4.179 1.00 0.00 H new ATOM 0 HA THR A 33 5.478 -16.974 1.953 1.00 0.00 H new ATOM 0 HB THR A 33 5.206 -14.058 2.653 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.465 -14.488 1.219 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.808 -13.464 0.334 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.204 -14.186 1.168 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.264 -15.153 0.007 1.00 0.00 H new ATOM 467 N LYS A 34 7.911 -16.640 1.551 1.00 0.00 N ATOM 468 CA LYS A 34 9.356 -16.772 1.487 1.00 0.00 C ATOM 469 C LYS A 34 10.005 -15.471 1.963 1.00 0.00 C ATOM 470 O LYS A 34 9.419 -14.397 1.831 1.00 0.00 O ATOM 471 CB LYS A 34 9.794 -17.202 0.086 1.00 0.00 C ATOM 472 CG LYS A 34 8.947 -18.372 -0.419 1.00 0.00 C ATOM 473 CD LYS A 34 9.722 -19.209 -1.439 1.00 0.00 C ATOM 474 CE LYS A 34 9.034 -19.183 -2.805 1.00 0.00 C ATOM 475 NZ LYS A 34 9.907 -19.788 -3.836 1.00 0.00 N ATOM 0 H LYS A 34 7.421 -16.894 0.693 1.00 0.00 H new ATOM 0 HA LYS A 34 9.696 -17.561 2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.704 -16.361 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.845 -17.490 0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.649 -19.000 0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.032 -17.993 -0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.738 -18.826 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.800 -20.238 -1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.091 -19.727 -2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.795 -18.155 -3.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.425 -19.763 -4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.797 -19.252 -3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.113 -20.775 -3.581 1.00 0.00 H new ATOM 489 N LYS A 35 11.206 -15.609 2.506 1.00 0.00 N ATOM 490 CA LYS A 35 11.940 -14.458 3.001 1.00 0.00 C ATOM 491 C LYS A 35 12.304 -13.547 1.827 1.00 0.00 C ATOM 492 O LYS A 35 12.052 -12.344 1.869 1.00 0.00 O ATOM 493 CB LYS A 35 13.147 -14.907 3.828 1.00 0.00 C ATOM 494 CG LYS A 35 14.092 -13.735 4.100 1.00 0.00 C ATOM 495 CD LYS A 35 15.137 -13.605 2.991 1.00 0.00 C ATOM 496 CE LYS A 35 16.484 -13.149 3.557 1.00 0.00 C ATOM 497 NZ LYS A 35 17.165 -14.271 4.241 1.00 0.00 N ATOM 0 H LYS A 35 11.689 -16.501 2.614 1.00 0.00 H new ATOM 0 HA LYS A 35 11.318 -13.873 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.807 -15.332 4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.682 -15.695 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.519 -12.811 4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.590 -13.880 5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.257 -14.563 2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.792 -12.891 2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.114 -12.770 2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.332 -12.327 4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.771 -13.899 5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.454 -14.912 4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.749 -14.792 3.556 1.00 0.00 H new ATOM 511 N GLN A 36 12.892 -14.155 0.808 1.00 0.00 N ATOM 512 CA GLN A 36 13.293 -13.414 -0.376 1.00 0.00 C ATOM 513 C GLN A 36 12.183 -12.450 -0.800 1.00 0.00 C ATOM 514 O GLN A 36 12.452 -11.299 -1.140 1.00 0.00 O ATOM 515 CB GLN A 36 13.662 -14.362 -1.518 1.00 0.00 C ATOM 516 CG GLN A 36 15.179 -14.438 -1.699 1.00 0.00 C ATOM 517 CD GLN A 36 15.602 -13.834 -3.040 1.00 0.00 C ATOM 518 OE1 GLN A 36 14.808 -13.656 -3.948 1.00 0.00 O ATOM 519 NE2 GLN A 36 16.895 -13.531 -3.112 1.00 0.00 N ATOM 0 H GLN A 36 13.101 -15.153 0.777 1.00 0.00 H new ATOM 0 HA GLN A 36 14.181 -12.830 -0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.267 -15.357 -1.312 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.198 -14.020 -2.443 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.673 -13.907 -0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.504 -15.477 -1.645 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.505 -13.706 -2.314 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.277 -13.123 -3.966 1.00 0.00 H new ATOM 528 N VAL A 37 10.959 -12.956 -0.767 1.00 0.00 N ATOM 529 CA VAL A 37 9.807 -12.154 -1.143 1.00 0.00 C ATOM 530 C VAL A 37 9.643 -11.005 -0.147 1.00 0.00 C ATOM 531 O VAL A 37 9.620 -9.839 -0.538 1.00 0.00 O ATOM 532 CB VAL A 37 8.564 -13.040 -1.244 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.316 -12.202 -1.533 1.00 0.00 C ATOM 534 CG2 VAL A 37 8.750 -14.129 -2.302 1.00 0.00 C ATOM 0 H VAL A 37 10.740 -13.912 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 37 9.955 -11.711 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 37 8.423 -13.530 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.446 -12.856 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.167 -11.481 -0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.445 -11.671 -2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.852 -14.744 -2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.928 -13.666 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.603 -14.753 -2.035 1.00 0.00 H new ATOM 544 N CYS A 38 9.534 -11.374 1.121 1.00 0.00 N ATOM 545 CA CYS A 38 9.373 -10.388 2.176 1.00 0.00 C ATOM 546 C CYS A 38 10.487 -9.349 2.036 1.00 0.00 C ATOM 547 O CYS A 38 10.219 -8.150 1.969 1.00 0.00 O ATOM 548 CB CYS A 38 9.369 -11.037 3.561 1.00 0.00 C ATOM 549 SG CYS A 38 9.442 -9.748 4.857 1.00 0.00 S ATOM 0 H CYS A 38 9.554 -12.342 1.441 1.00 0.00 H new ATOM 0 HA CYS A 38 8.405 -9.898 2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.470 -11.640 3.686 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.220 -11.711 3.658 1.00 0.00 H new ATOM 0 HG CYS A 38 10.382 -10.039 5.706 1.00 0.00 H new ATOM 555 N ASP A 39 11.715 -9.846 1.998 1.00 0.00 N ATOM 556 CA ASP A 39 12.871 -8.975 1.867 1.00 0.00 C ATOM 557 C ASP A 39 12.678 -8.056 0.660 1.00 0.00 C ATOM 558 O ASP A 39 13.296 -6.995 0.577 1.00 0.00 O ATOM 559 CB ASP A 39 14.149 -9.786 1.645 1.00 0.00 C ATOM 560 CG ASP A 39 15.258 -9.539 2.670 1.00 0.00 C ATOM 561 OD1 ASP A 39 14.903 -9.290 3.842 1.00 0.00 O ATOM 562 OD2 ASP A 39 16.436 -9.605 2.258 1.00 0.00 O ATOM 0 H ASP A 39 11.934 -10.840 2.056 1.00 0.00 H new ATOM 0 HA ASP A 39 12.965 -8.399 2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.895 -10.846 1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.536 -9.561 0.651 1.00 0.00 H new ATOM 567 N ASP A 40 11.819 -8.496 -0.248 1.00 0.00 N ATOM 568 CA ASP A 40 11.538 -7.726 -1.448 1.00 0.00 C ATOM 569 C ASP A 40 10.445 -6.699 -1.144 1.00 0.00 C ATOM 570 O ASP A 40 10.644 -5.501 -1.337 1.00 0.00 O ATOM 571 CB ASP A 40 11.037 -8.629 -2.577 1.00 0.00 C ATOM 572 CG ASP A 40 11.349 -8.131 -3.989 1.00 0.00 C ATOM 573 OD1 ASP A 40 10.506 -7.380 -4.525 1.00 0.00 O ATOM 574 OD2 ASP A 40 12.424 -8.513 -4.502 1.00 0.00 O ATOM 0 H ASP A 40 11.308 -9.376 -0.177 1.00 0.00 H new ATOM 0 HA ASP A 40 12.461 -7.237 -1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.475 -9.619 -2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.958 -8.744 -2.479 1.00 0.00 H new ATOM 579 N ILE A 41 9.315 -7.206 -0.674 1.00 0.00 N ATOM 580 CA ILE A 41 8.190 -6.348 -0.342 1.00 0.00 C ATOM 581 C ILE A 41 8.657 -5.251 0.617 1.00 0.00 C ATOM 582 O ILE A 41 8.419 -4.069 0.376 1.00 0.00 O ATOM 583 CB ILE A 41 7.023 -7.178 0.194 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.456 -8.095 -0.892 1.00 0.00 C ATOM 585 CG2 ILE A 41 5.945 -6.279 0.804 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.637 -9.232 -0.278 1.00 0.00 C ATOM 0 H ILE A 41 9.154 -8.201 -0.515 1.00 0.00 H new ATOM 0 HA ILE A 41 7.813 -5.851 -1.236 1.00 0.00 H new ATOM 0 HB ILE A 41 7.399 -7.818 0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.829 -7.516 -1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.271 -8.509 -1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.127 -6.894 1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.372 -5.705 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.567 -5.596 0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.246 -9.868 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.272 -9.823 0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.808 -8.815 0.295 1.00 0.00 H new ATOM 598 N SER A 42 9.313 -5.683 1.684 1.00 0.00 N ATOM 599 CA SER A 42 9.816 -4.752 2.680 1.00 0.00 C ATOM 600 C SER A 42 10.638 -3.654 2.003 1.00 0.00 C ATOM 601 O SER A 42 10.435 -2.470 2.267 1.00 0.00 O ATOM 602 CB SER A 42 10.660 -5.474 3.733 1.00 0.00 C ATOM 603 OG SER A 42 11.878 -5.975 3.188 1.00 0.00 O ATOM 0 H SER A 42 9.508 -6.665 1.881 1.00 0.00 H new ATOM 0 HA SER A 42 8.963 -4.299 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.883 -4.789 4.551 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.085 -6.298 4.155 1.00 0.00 H new ATOM 0 HG SER A 42 12.389 -6.428 3.891 1.00 0.00 H new ATOM 609 N ARG A 43 11.548 -4.085 1.143 1.00 0.00 N ATOM 610 CA ARG A 43 12.402 -3.153 0.426 1.00 0.00 C ATOM 611 C ARG A 43 11.569 -2.008 -0.152 1.00 0.00 C ATOM 612 O ARG A 43 12.057 -0.887 -0.288 1.00 0.00 O ATOM 613 CB ARG A 43 13.151 -3.854 -0.709 1.00 0.00 C ATOM 614 CG ARG A 43 14.646 -3.952 -0.401 1.00 0.00 C ATOM 615 CD ARG A 43 15.446 -4.280 -1.664 1.00 0.00 C ATOM 616 NE ARG A 43 16.773 -3.628 -1.606 1.00 0.00 N ATOM 617 CZ ARG A 43 16.976 -2.318 -1.804 1.00 0.00 C ATOM 618 NH1 ARG A 43 15.940 -1.513 -2.074 1.00 0.00 N ATOM 619 NH2 ARG A 43 18.215 -1.814 -1.733 1.00 0.00 N ATOM 0 H ARG A 43 11.713 -5.068 0.926 1.00 0.00 H new ATOM 0 HA ARG A 43 13.129 -2.756 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.741 -4.853 -0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.003 -3.306 -1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.996 -3.010 0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.816 -4.722 0.352 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.566 -5.359 -1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.903 -3.941 -2.546 1.00 0.00 H new ATOM 0 HE ARG A 43 17.584 -4.212 -1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.997 -1.897 -2.129 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.095 -0.516 -2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.004 -2.427 -1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.369 -0.817 -1.884 1.00 0.00 H new ATOM 633 N ARG A 44 10.325 -2.329 -0.478 1.00 0.00 N ATOM 634 CA ARG A 44 9.419 -1.340 -1.038 1.00 0.00 C ATOM 635 C ARG A 44 8.867 -0.439 0.068 1.00 0.00 C ATOM 636 O ARG A 44 8.848 0.783 -0.074 1.00 0.00 O ATOM 637 CB ARG A 44 8.255 -2.012 -1.769 1.00 0.00 C ATOM 638 CG ARG A 44 8.756 -3.121 -2.696 1.00 0.00 C ATOM 639 CD ARG A 44 9.571 -2.541 -3.854 1.00 0.00 C ATOM 640 NE ARG A 44 10.806 -3.332 -4.049 1.00 0.00 N ATOM 641 CZ ARG A 44 11.533 -3.324 -5.175 1.00 0.00 C ATOM 642 NH1 ARG A 44 11.154 -2.566 -6.212 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.640 -4.074 -5.262 1.00 0.00 N ATOM 0 H ARG A 44 9.923 -3.260 -0.365 1.00 0.00 H new ATOM 0 HA ARG A 44 9.983 -0.739 -1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.557 -2.428 -1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.707 -1.269 -2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.369 -3.823 -2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.908 -3.682 -3.089 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.976 -2.548 -4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.824 -1.501 -3.647 1.00 0.00 H new ATOM 0 HE ARG A 44 11.124 -3.920 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.312 -1.994 -6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.708 -2.560 -7.069 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.929 -4.650 -4.472 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.194 -4.068 -6.119 1.00 0.00 H new ATOM 657 N LEU A 45 8.431 -1.076 1.144 1.00 0.00 N ATOM 658 CA LEU A 45 7.880 -0.347 2.274 1.00 0.00 C ATOM 659 C LEU A 45 8.847 0.767 2.677 1.00 0.00 C ATOM 660 O LEU A 45 8.444 1.919 2.830 1.00 0.00 O ATOM 661 CB LEU A 45 7.537 -1.307 3.415 1.00 0.00 C ATOM 662 CG LEU A 45 6.652 -2.499 3.046 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.174 -3.236 4.298 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.486 -2.063 2.156 1.00 0.00 C ATOM 0 H LEU A 45 8.448 -2.089 1.258 1.00 0.00 H new ATOM 0 HA LEU A 45 6.940 0.131 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.468 -1.688 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.040 -0.741 4.203 1.00 0.00 H new ATOM 0 HG LEU A 45 7.251 -3.203 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.547 -4.079 4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.036 -3.601 4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.598 -2.554 4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.873 -2.930 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.879 -1.329 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.874 -1.620 1.239 1.00 0.00 H new ATOM 676 N ALA A 46 10.106 0.385 2.837 1.00 0.00 N ATOM 677 CA ALA A 46 11.134 1.338 3.220 1.00 0.00 C ATOM 678 C ALA A 46 11.069 2.552 2.292 1.00 0.00 C ATOM 679 O ALA A 46 11.271 3.684 2.729 1.00 0.00 O ATOM 680 CB ALA A 46 12.502 0.653 3.189 1.00 0.00 C ATOM 0 H ALA A 46 10.437 -0.571 2.708 1.00 0.00 H new ATOM 0 HA ALA A 46 10.969 1.692 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.273 1.368 3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.505 -0.185 3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.703 0.287 2.182 1.00 0.00 H new ATOM 686 N LEU A 47 10.786 2.276 1.027 1.00 0.00 N ATOM 687 CA LEU A 47 10.692 3.332 0.033 1.00 0.00 C ATOM 688 C LEU A 47 9.367 4.077 0.211 1.00 0.00 C ATOM 689 O LEU A 47 9.345 5.305 0.268 1.00 0.00 O ATOM 690 CB LEU A 47 10.894 2.763 -1.373 1.00 0.00 C ATOM 691 CG LEU A 47 11.456 3.733 -2.414 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.692 3.027 -3.750 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.553 4.959 -2.565 1.00 0.00 C ATOM 0 H LEU A 47 10.619 1.336 0.668 1.00 0.00 H new ATOM 0 HA LEU A 47 11.490 4.061 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.565 1.906 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.936 2.389 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 47 12.425 4.088 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.092 3.739 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.404 2.213 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.749 2.625 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.975 5.632 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.560 4.642 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.480 5.477 -1.609 1.00 0.00 H new ATOM 705 N LEU A 48 8.296 3.302 0.293 1.00 0.00 N ATOM 706 CA LEU A 48 6.970 3.873 0.463 1.00 0.00 C ATOM 707 C LEU A 48 7.011 4.923 1.575 1.00 0.00 C ATOM 708 O LEU A 48 6.697 6.090 1.343 1.00 0.00 O ATOM 709 CB LEU A 48 5.937 2.769 0.697 1.00 0.00 C ATOM 710 CG LEU A 48 4.632 3.203 1.366 1.00 0.00 C ATOM 711 CD1 LEU A 48 4.122 4.518 0.772 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.581 2.094 1.289 1.00 0.00 C ATOM 0 H LEU A 48 8.319 2.283 0.245 1.00 0.00 H new ATOM 0 HA LEU A 48 6.655 4.384 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.696 2.315 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.396 1.993 1.310 1.00 0.00 H new ATOM 0 HG LEU A 48 4.833 3.383 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.193 4.804 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.868 5.299 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.941 4.389 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.663 2.429 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.376 1.858 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.954 1.204 1.795 1.00 0.00 H new ATOM 724 N ARG A 49 7.400 4.471 2.758 1.00 0.00 N ATOM 725 CA ARG A 49 7.486 5.357 3.906 1.00 0.00 C ATOM 726 C ARG A 49 8.384 6.554 3.587 1.00 0.00 C ATOM 727 O ARG A 49 7.919 7.693 3.556 1.00 0.00 O ATOM 728 CB ARG A 49 8.042 4.623 5.128 1.00 0.00 C ATOM 729 CG ARG A 49 8.071 5.540 6.352 1.00 0.00 C ATOM 730 CD ARG A 49 9.080 5.040 7.388 1.00 0.00 C ATOM 731 NE ARG A 49 10.079 6.095 7.671 1.00 0.00 N ATOM 732 CZ ARG A 49 11.290 5.861 8.195 1.00 0.00 C ATOM 733 NH1 ARG A 49 11.659 4.609 8.496 1.00 0.00 N ATOM 734 NH2 ARG A 49 12.131 6.880 8.418 1.00 0.00 N ATOM 0 H ARG A 49 7.659 3.503 2.946 1.00 0.00 H new ATOM 0 HA ARG A 49 6.478 5.705 4.132 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.429 3.747 5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.049 4.264 4.914 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.331 6.553 6.046 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.078 5.587 6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.563 4.761 8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.579 4.144 7.019 1.00 0.00 H new ATOM 0 HE ARG A 49 9.830 7.060 7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.018 3.834 8.326 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.581 4.431 8.895 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.849 7.833 8.189 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.053 6.702 8.817 1.00 0.00 H new ATOM 748 N GLU A 50 9.655 6.256 3.358 1.00 0.00 N ATOM 749 CA GLU A 50 10.622 7.294 3.042 1.00 0.00 C ATOM 750 C GLU A 50 10.002 8.329 2.101 1.00 0.00 C ATOM 751 O GLU A 50 10.070 9.529 2.361 1.00 0.00 O ATOM 752 CB GLU A 50 11.892 6.693 2.437 1.00 0.00 C ATOM 753 CG GLU A 50 12.781 6.082 3.522 1.00 0.00 C ATOM 754 CD GLU A 50 13.066 7.096 4.632 1.00 0.00 C ATOM 755 OE1 GLU A 50 13.183 8.293 4.291 1.00 0.00 O ATOM 756 OE2 GLU A 50 13.160 6.651 5.796 1.00 0.00 O ATOM 0 H GLU A 50 10.037 5.311 3.385 1.00 0.00 H new ATOM 0 HA GLU A 50 10.903 7.797 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.625 5.928 1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.444 7.465 1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.294 5.203 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.720 5.746 3.082 1.00 0.00 H new ATOM 763 N GLN A 51 9.411 7.826 1.027 1.00 0.00 N ATOM 764 CA GLN A 51 8.779 8.691 0.046 1.00 0.00 C ATOM 765 C GLN A 51 7.598 9.434 0.674 1.00 0.00 C ATOM 766 O GLN A 51 7.368 10.605 0.378 1.00 0.00 O ATOM 767 CB GLN A 51 8.335 7.895 -1.183 1.00 0.00 C ATOM 768 CG GLN A 51 9.256 8.166 -2.375 1.00 0.00 C ATOM 769 CD GLN A 51 8.452 8.290 -3.671 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.831 9.301 -3.952 1.00 0.00 O ATOM 771 NE2 GLN A 51 8.500 7.207 -4.442 1.00 0.00 N ATOM 0 H GLN A 51 9.357 6.830 0.815 1.00 0.00 H new ATOM 0 HA GLN A 51 9.512 9.427 -0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.338 6.830 -0.951 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.310 8.162 -1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.819 9.083 -2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.982 7.359 -2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.040 6.394 -4.146 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.997 7.190 -5.329 1.00 0.00 H new ATOM 780 N TRP A 52 6.881 8.721 1.531 1.00 0.00 N ATOM 781 CA TRP A 52 5.730 9.298 2.204 1.00 0.00 C ATOM 782 C TRP A 52 6.227 10.433 3.102 1.00 0.00 C ATOM 783 O TRP A 52 5.842 11.587 2.919 1.00 0.00 O ATOM 784 CB TRP A 52 4.950 8.228 2.971 1.00 0.00 C ATOM 785 CG TRP A 52 3.672 8.745 3.635 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.525 9.830 4.407 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.360 8.150 3.553 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.219 9.978 4.828 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.488 8.924 4.291 1.00 0.00 C ATOM 790 CE3 TRP A 52 1.924 6.997 2.877 1.00 0.00 C ATOM 791 CZ2 TRP A 52 0.126 8.629 4.425 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.560 6.716 3.020 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.331 7.484 3.760 1.00 0.00 C ATOM 0 H TRP A 52 7.075 7.750 1.774 1.00 0.00 H new ATOM 0 HA TRP A 52 5.026 9.709 1.480 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.690 7.421 2.286 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.597 7.800 3.736 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.328 10.504 4.667 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.857 10.723 5.423 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.589 6.377 2.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.536 9.250 5.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.173 5.841 2.520 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.371 7.199 3.822 1.00 0.00 H new ATOM 804 N ALA A 53 7.074 10.066 4.052 1.00 0.00 N ATOM 805 CA ALA A 53 7.627 11.039 4.978 1.00 0.00 C ATOM 806 C ALA A 53 8.341 12.139 4.190 1.00 0.00 C ATOM 807 O ALA A 53 8.020 13.318 4.332 1.00 0.00 O ATOM 808 CB ALA A 53 8.557 10.332 5.967 1.00 0.00 C ATOM 0 H ALA A 53 7.391 9.108 4.200 1.00 0.00 H new ATOM 0 HA ALA A 53 6.834 11.511 5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.972 11.062 6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.995 9.581 6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.368 9.848 5.422 1.00 0.00 H new ATOM 814 N GLY A 54 9.297 11.714 3.376 1.00 0.00 N ATOM 815 CA GLY A 54 10.059 12.648 2.565 1.00 0.00 C ATOM 816 C GLY A 54 9.154 13.738 1.988 1.00 0.00 C ATOM 817 O GLY A 54 9.586 14.876 1.806 1.00 0.00 O ATOM 0 H GLY A 54 9.561 10.735 3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.843 13.104 3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.552 12.113 1.754 1.00 0.00 H new ATOM 821 N GLY A 55 7.916 13.353 1.717 1.00 0.00 N ATOM 822 CA GLY A 55 6.947 14.284 1.165 1.00 0.00 C ATOM 823 C GLY A 55 6.909 14.195 -0.362 1.00 0.00 C ATOM 824 O GLY A 55 6.392 15.091 -1.027 1.00 0.00 O ATOM 0 H GLY A 55 7.562 12.409 1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.958 14.068 1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.200 15.300 1.467 1.00 0.00 H new ATOM 828 N LYS A 56 7.464 13.106 -0.873 1.00 0.00 N ATOM 829 CA LYS A 56 7.501 12.888 -2.309 1.00 0.00 C ATOM 830 C LYS A 56 6.146 12.350 -2.774 1.00 0.00 C ATOM 831 O LYS A 56 5.826 12.405 -3.960 1.00 0.00 O ATOM 832 CB LYS A 56 8.681 11.989 -2.685 1.00 0.00 C ATOM 833 CG LYS A 56 9.962 12.809 -2.855 1.00 0.00 C ATOM 834 CD LYS A 56 10.337 12.940 -4.332 1.00 0.00 C ATOM 835 CE LYS A 56 11.493 13.925 -4.519 1.00 0.00 C ATOM 836 NZ LYS A 56 12.582 13.303 -5.305 1.00 0.00 N ATOM 0 H LYS A 56 7.892 12.365 -0.318 1.00 0.00 H new ATOM 0 HA LYS A 56 7.668 13.829 -2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.828 11.234 -1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.459 11.459 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.824 13.800 -2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.777 12.334 -2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.619 11.964 -4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.471 13.277 -4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.136 14.821 -5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.872 14.239 -3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.358 13.985 -5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.933 12.461 -4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.221 13.025 -6.240 1.00 0.00 H new ATOM 850 N LEU A 57 5.387 11.841 -1.815 1.00 0.00 N ATOM 851 CA LEU A 57 4.074 11.293 -2.111 1.00 0.00 C ATOM 852 C LEU A 57 3.043 12.424 -2.113 1.00 0.00 C ATOM 853 O LEU A 57 3.142 13.361 -1.322 1.00 0.00 O ATOM 854 CB LEU A 57 3.737 10.157 -1.144 1.00 0.00 C ATOM 855 CG LEU A 57 4.716 8.981 -1.123 1.00 0.00 C ATOM 856 CD1 LEU A 57 4.247 7.893 -0.156 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.945 8.434 -2.534 1.00 0.00 C ATOM 0 H LEU A 57 5.656 11.796 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 57 4.063 10.848 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.675 10.570 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.747 9.775 -1.394 1.00 0.00 H new ATOM 0 HG LEU A 57 5.677 9.343 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.961 7.069 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.177 8.306 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.269 7.527 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.644 7.599 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.997 8.093 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.357 9.220 -3.167 1.00 0.00 H new ATOM 869 N SER A 58 2.077 12.300 -3.012 1.00 0.00 N ATOM 870 CA SER A 58 1.029 13.299 -3.128 1.00 0.00 C ATOM 871 C SER A 58 0.036 13.152 -1.974 1.00 0.00 C ATOM 872 O SER A 58 -0.029 12.103 -1.335 1.00 0.00 O ATOM 873 CB SER A 58 0.305 13.185 -4.470 1.00 0.00 C ATOM 874 OG SER A 58 -0.102 14.456 -4.968 1.00 0.00 O ATOM 0 H SER A 58 1.999 11.522 -3.667 1.00 0.00 H new ATOM 0 HA SER A 58 1.490 14.285 -3.078 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.961 12.705 -5.196 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.569 12.543 -4.357 1.00 0.00 H new ATOM 0 HG SER A 58 -0.559 14.340 -5.827 1.00 0.00 H new ATOM 880 N ILE A 59 -0.714 14.219 -1.741 1.00 0.00 N ATOM 881 CA ILE A 59 -1.702 14.222 -0.675 1.00 0.00 C ATOM 882 C ILE A 59 -2.827 13.246 -1.026 1.00 0.00 C ATOM 883 O ILE A 59 -3.268 12.471 -0.178 1.00 0.00 O ATOM 884 CB ILE A 59 -2.187 15.646 -0.398 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.038 16.533 0.085 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.361 15.644 0.584 1.00 0.00 C ATOM 887 CD1 ILE A 59 -0.915 17.790 -0.778 1.00 0.00 C ATOM 0 H ILE A 59 -0.657 15.088 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.258 13.875 0.258 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.550 16.071 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.205 16.816 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.103 15.973 0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.687 16.669 0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.186 15.069 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.047 15.193 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.091 18.403 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.724 17.504 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.842 18.360 -0.725 1.00 0.00 H new ATOM 899 N PRO A 60 -3.271 13.318 -2.309 1.00 0.00 N ATOM 900 CA PRO A 60 -4.337 12.451 -2.782 1.00 0.00 C ATOM 901 C PRO A 60 -3.826 11.025 -3.002 1.00 0.00 C ATOM 902 O PRO A 60 -4.605 10.123 -3.304 1.00 0.00 O ATOM 903 CB PRO A 60 -4.839 13.105 -4.058 1.00 0.00 C ATOM 904 CG PRO A 60 -3.738 14.054 -4.502 1.00 0.00 C ATOM 905 CD PRO A 60 -2.773 14.224 -3.340 1.00 0.00 C ATOM 0 HA PRO A 60 -5.146 12.346 -2.059 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.043 12.358 -4.825 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.770 13.643 -3.881 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.219 13.656 -5.374 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.158 15.017 -4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.754 13.970 -3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.756 15.255 -2.987 1.00 0.00 H new ATOM 913 N VAL A 61 -2.520 10.867 -2.842 1.00 0.00 N ATOM 914 CA VAL A 61 -1.896 9.567 -3.020 1.00 0.00 C ATOM 915 C VAL A 61 -1.890 8.823 -1.683 1.00 0.00 C ATOM 916 O VAL A 61 -1.751 7.601 -1.650 1.00 0.00 O ATOM 917 CB VAL A 61 -0.498 9.735 -3.617 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.418 8.582 -3.202 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.564 9.861 -5.141 1.00 0.00 C ATOM 0 H VAL A 61 -1.877 11.618 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.465 8.963 -3.726 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.074 10.658 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.406 8.726 -3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.503 8.558 -2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.001 7.639 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.443 9.979 -5.540 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.018 8.963 -5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.165 10.730 -5.409 1.00 0.00 H new ATOM 929 N LYS A 62 -2.042 9.590 -0.614 1.00 0.00 N ATOM 930 CA LYS A 62 -2.055 9.019 0.722 1.00 0.00 C ATOM 931 C LYS A 62 -3.501 8.741 1.139 1.00 0.00 C ATOM 932 O LYS A 62 -3.807 7.666 1.653 1.00 0.00 O ATOM 933 CB LYS A 62 -1.296 9.920 1.698 1.00 0.00 C ATOM 934 CG LYS A 62 -0.450 10.950 0.948 1.00 0.00 C ATOM 935 CD LYS A 62 0.564 11.613 1.883 1.00 0.00 C ATOM 936 CE LYS A 62 1.613 12.395 1.090 1.00 0.00 C ATOM 937 NZ LYS A 62 1.243 13.826 1.013 1.00 0.00 N ATOM 0 H LYS A 62 -2.157 10.603 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.530 8.064 0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.003 10.431 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.654 9.312 2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.073 10.465 0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.098 11.710 0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.047 12.284 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.055 10.853 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.589 12.290 1.564 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.701 11.981 0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.213 14.124 0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.307 13.966 1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.948 14.395 1.524 1.00 0.00 H new ATOM 951 N LYS A 63 -4.352 9.728 0.901 1.00 0.00 N ATOM 952 CA LYS A 63 -5.758 9.604 1.246 1.00 0.00 C ATOM 953 C LYS A 63 -6.336 8.359 0.569 1.00 0.00 C ATOM 954 O LYS A 63 -7.225 7.708 1.114 1.00 0.00 O ATOM 955 CB LYS A 63 -6.509 10.893 0.907 1.00 0.00 C ATOM 956 CG LYS A 63 -6.871 11.666 2.176 1.00 0.00 C ATOM 957 CD LYS A 63 -6.934 13.170 1.902 1.00 0.00 C ATOM 958 CE LYS A 63 -5.622 13.673 1.298 1.00 0.00 C ATOM 959 NZ LYS A 63 -5.815 14.049 -0.121 1.00 0.00 N ATOM 0 H LYS A 63 -4.095 10.618 0.473 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.876 9.468 2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.893 11.517 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.416 10.654 0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.833 11.321 2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.133 11.465 2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.758 13.385 1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.140 13.704 2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.261 14.533 1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.859 12.898 1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.929 13.897 -0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.567 13.463 -0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.085 15.052 -0.181 1.00 0.00 H new ATOM 973 N ARG A 64 -5.806 8.066 -0.610 1.00 0.00 N ATOM 974 CA ARG A 64 -6.258 6.911 -1.367 1.00 0.00 C ATOM 975 C ARG A 64 -5.680 5.626 -0.771 1.00 0.00 C ATOM 976 O ARG A 64 -6.372 4.613 -0.680 1.00 0.00 O ATOM 977 CB ARG A 64 -5.841 7.017 -2.835 1.00 0.00 C ATOM 978 CG ARG A 64 -7.065 7.117 -3.747 1.00 0.00 C ATOM 979 CD ARG A 64 -6.762 7.970 -4.981 1.00 0.00 C ATOM 980 NE ARG A 64 -8.014 8.267 -5.711 1.00 0.00 N ATOM 981 CZ ARG A 64 -8.923 9.166 -5.310 1.00 0.00 C ATOM 982 NH1 ARG A 64 -8.724 9.862 -4.182 1.00 0.00 N ATOM 983 NH2 ARG A 64 -10.031 9.369 -6.036 1.00 0.00 N ATOM 0 H ARG A 64 -5.068 8.608 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.346 6.884 -1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.207 7.893 -2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.247 6.146 -3.112 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.374 6.119 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.899 7.552 -3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.277 8.899 -4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.066 7.444 -5.635 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.197 7.755 -6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.881 9.707 -3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.416 10.546 -3.876 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.183 8.839 -6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.723 10.053 -5.730 1.00 0.00 H new ATOM 997 N MET A 65 -4.417 5.710 -0.380 1.00 0.00 N ATOM 998 CA MET A 65 -3.737 4.566 0.205 1.00 0.00 C ATOM 999 C MET A 65 -4.500 4.038 1.422 1.00 0.00 C ATOM 1000 O MET A 65 -4.905 2.877 1.449 1.00 0.00 O ATOM 1001 CB MET A 65 -2.324 4.972 0.625 1.00 0.00 C ATOM 1002 CG MET A 65 -1.305 4.610 -0.457 1.00 0.00 C ATOM 1003 SD MET A 65 -1.308 2.847 -0.734 1.00 0.00 S ATOM 1004 CE MET A 65 -0.847 2.277 0.893 1.00 0.00 C ATOM 0 H MET A 65 -3.847 6.552 -0.457 1.00 0.00 H new ATOM 0 HA MET A 65 -3.690 3.774 -0.542 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.292 6.045 0.816 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.061 4.474 1.558 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.545 5.132 -1.383 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.310 4.937 -0.155 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.715 1.195 0.876 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.087 2.752 1.194 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.631 2.535 1.605 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.674 4.917 2.398 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.381 4.554 3.614 1.00 0.00 C ATOM 1016 C ALA A 66 -6.572 3.662 3.260 1.00 0.00 C ATOM 1017 O ALA A 66 -6.802 2.641 3.906 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.803 5.823 4.357 1.00 0.00 C ATOM 0 H ALA A 66 -4.338 5.880 2.371 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.732 3.987 4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.334 5.551 5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.918 6.407 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.458 6.417 3.720 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.299 4.080 2.234 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.461 3.332 1.786 1.00 0.00 C ATOM 1026 C LEU A 67 -8.057 1.881 1.521 1.00 0.00 C ATOM 1027 O LEU A 67 -8.456 0.977 2.254 1.00 0.00 O ATOM 1028 CB LEU A 67 -9.110 4.019 0.582 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.500 5.486 0.778 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -9.926 6.121 -0.548 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -10.579 5.627 1.853 1.00 0.00 C ATOM 0 H LEU A 67 -7.106 4.927 1.700 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.225 3.314 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.423 3.956 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.004 3.459 0.307 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.623 6.029 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.198 7.163 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.100 6.071 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.784 5.582 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.838 6.679 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.465 5.067 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.204 5.236 2.799 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.269 1.702 0.471 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.806 0.375 0.100 1.00 0.00 C ATOM 1045 C LEU A 68 -6.406 -0.392 1.362 1.00 0.00 C ATOM 1046 O LEU A 68 -6.704 -1.578 1.492 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.690 0.469 -0.942 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.642 -0.645 -0.905 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.770 -0.620 -2.162 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.806 -0.569 0.374 1.00 0.00 C ATOM 0 H LEU A 68 -6.939 2.454 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.608 -0.189 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.145 0.480 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.181 1.424 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.162 -1.603 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.034 -1.422 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.397 -0.760 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.257 0.339 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.069 -1.372 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.295 0.393 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.458 -0.674 1.241 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.738 0.317 2.260 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.294 -0.282 3.507 1.00 0.00 C ATOM 1064 C VAL A 69 -6.514 -0.709 4.326 1.00 0.00 C ATOM 1065 O VAL A 69 -6.612 -1.860 4.747 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.380 0.688 4.258 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.067 0.170 5.663 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -3.094 0.949 3.471 1.00 0.00 C ATOM 0 H VAL A 69 -5.493 1.301 2.149 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.704 -1.177 3.311 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.909 1.636 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.416 0.878 6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.994 0.058 6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.567 -0.796 5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.462 1.642 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.561 0.010 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.342 1.382 2.502 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.414 0.243 4.526 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.624 -0.020 5.287 1.00 0.00 C ATOM 1080 C GLN A 70 -9.317 -1.279 4.763 1.00 0.00 C ATOM 1081 O GLN A 70 -10.039 -1.947 5.502 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.569 1.183 5.247 1.00 0.00 C ATOM 1083 CG GLN A 70 -9.033 2.330 6.105 1.00 0.00 C ATOM 1084 CD GLN A 70 -8.880 1.898 7.565 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -9.842 1.765 8.304 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -7.621 1.685 7.938 1.00 0.00 N ATOM 0 H GLN A 70 -7.330 1.197 4.175 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.346 -0.188 6.328 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.691 1.520 4.218 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.555 0.887 5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.069 2.660 5.717 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.710 3.182 6.043 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.862 1.815 7.269 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.415 1.392 8.893 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.075 -1.565 3.492 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.667 -2.732 2.862 1.00 0.00 C ATOM 1097 C GLU A 71 -8.877 -3.990 3.226 1.00 0.00 C ATOM 1098 O GLU A 71 -9.461 -5.045 3.473 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.745 -2.554 1.344 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.311 -1.180 0.981 1.00 0.00 C ATOM 1101 CD GLU A 71 -11.796 -1.274 0.627 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.397 -2.314 0.972 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.297 -0.304 0.018 1.00 0.00 O ATOM 0 H GLU A 71 -8.477 -1.008 2.882 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.685 -2.845 3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.752 -2.668 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.373 -3.335 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.176 -0.495 1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.758 -0.766 0.138 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.561 -3.839 3.248 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.685 -4.950 3.578 1.00 0.00 C ATOM 1112 C LEU A 72 -6.908 -5.354 5.037 1.00 0.00 C ATOM 1113 O LEU A 72 -6.562 -6.464 5.437 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.231 -4.601 3.252 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.286 -5.787 3.048 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.437 -5.602 1.789 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.425 -6.023 4.291 1.00 0.00 C ATOM 0 H LEU A 72 -7.080 -2.963 3.042 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.925 -5.819 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.218 -3.992 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.837 -3.983 4.058 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.890 -6.683 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.774 -6.459 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.089 -5.521 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.842 -4.694 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.763 -6.871 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.829 -5.133 4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.069 -6.233 5.145 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.484 -4.430 5.792 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.757 -4.676 7.198 1.00 0.00 C ATOM 1131 C LEU A 73 -9.025 -5.523 7.326 1.00 0.00 C ATOM 1132 O LEU A 73 -9.072 -6.460 8.122 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.819 -3.356 7.970 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.515 -2.559 8.042 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.738 -1.203 8.715 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.416 -3.368 8.733 1.00 0.00 C ATOM 0 H LEU A 73 -7.769 -3.510 5.457 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.945 -5.246 7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.582 -2.726 7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.149 -3.568 8.987 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.178 -2.362 7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.796 -0.657 8.754 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.467 -0.629 8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.110 -1.356 9.728 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.500 -2.779 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.730 -3.617 9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.234 -4.286 8.174 1.00 0.00 H new ATOM 1148 N HIS A 74 -10.021 -5.164 6.529 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.285 -5.880 6.544 1.00 0.00 C ATOM 1150 C HIS A 74 -11.162 -7.157 5.710 1.00 0.00 C ATOM 1151 O HIS A 74 -12.110 -7.934 5.614 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.428 -4.976 6.077 1.00 0.00 C ATOM 1153 CG HIS A 74 -12.800 -3.897 7.066 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.100 -3.687 7.492 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.030 -2.973 7.709 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.101 -2.679 8.351 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -12.818 -2.237 8.484 1.00 0.00 N ATOM 0 H HIS A 74 -9.978 -4.387 5.869 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.526 -6.175 7.565 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -12.146 -4.508 5.134 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.306 -5.591 5.878 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -10.961 -2.859 7.605 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -14.966 -2.277 8.857 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -12.514 -1.468 9.081 1.00 0.00 H new ATOM 1165 N HIS A 75 -9.985 -7.333 5.127 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.725 -8.502 4.304 1.00 0.00 C ATOM 1167 C HIS A 75 -10.104 -8.202 2.853 1.00 0.00 C ATOM 1168 O HIS A 75 -9.842 -9.007 1.960 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.444 -9.731 4.863 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.460 -9.800 6.372 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -11.569 -10.210 7.092 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -9.493 -9.508 7.288 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -11.271 -10.162 8.382 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -9.984 -9.726 8.501 1.00 0.00 N ATOM 0 H HIS A 75 -9.201 -6.686 5.208 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.661 -8.736 4.324 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.471 -9.735 4.498 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.964 -10.629 4.474 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -8.496 -9.158 7.064 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -11.931 -10.422 9.196 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.482 -9.590 9.378 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.716 -7.043 2.662 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.134 -6.627 1.334 1.00 0.00 C ATOM 1184 C GLN A 76 -9.914 -6.421 0.433 1.00 0.00 C ATOM 1185 O GLN A 76 -9.430 -5.300 0.286 1.00 0.00 O ATOM 1186 CB GLN A 76 -11.987 -5.359 1.400 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.356 -5.650 2.019 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.371 -6.045 0.944 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.026 -6.450 -0.154 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.639 -5.904 1.320 1.00 0.00 N ATOM 0 H GLN A 76 -10.933 -6.379 3.405 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.749 -7.417 0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.472 -4.600 1.989 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.117 -4.951 0.398 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.265 -6.453 2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.712 -4.770 2.554 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.859 -5.559 2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.392 -6.140 0.674 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.453 -7.520 -0.145 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.300 -7.474 -1.027 1.00 0.00 C ATOM 1201 C TRP A 77 -8.768 -6.969 -2.393 1.00 0.00 C ATOM 1202 O TRP A 77 -8.037 -6.259 -3.081 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.609 -8.837 -1.098 1.00 0.00 C ATOM 1204 CG TRP A 77 -7.904 -9.747 0.096 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -8.817 -10.725 0.182 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.244 -9.725 1.379 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.793 -11.331 1.421 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.806 -10.704 2.172 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.205 -8.904 1.853 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.396 -10.954 3.487 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.807 -9.166 3.170 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.363 -10.148 3.981 1.00 0.00 C ATOM 0 H TRP A 77 -9.857 -8.448 -0.020 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.548 -6.786 -0.641 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.919 -9.343 -2.012 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.532 -8.684 -1.168 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.487 -11.003 -0.618 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.390 -12.098 1.729 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.750 -8.133 1.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.852 -11.727 4.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.013 -8.563 3.584 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -6.000 -10.289 4.988 1.00 0.00 H new ATOM 1223 N ASP A 78 -9.985 -7.357 -2.746 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.561 -6.953 -4.017 1.00 0.00 C ATOM 1225 C ASP A 78 -10.660 -5.427 -4.066 1.00 0.00 C ATOM 1226 O ASP A 78 -10.263 -4.807 -5.051 1.00 0.00 O ATOM 1227 CB ASP A 78 -11.969 -7.524 -4.191 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.130 -8.508 -5.351 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -12.140 -8.028 -6.505 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -12.239 -9.719 -5.058 1.00 0.00 O ATOM 0 H ASP A 78 -10.588 -7.947 -2.173 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.918 -7.330 -4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.258 -8.025 -3.267 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.664 -6.697 -4.337 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.192 -4.867 -2.990 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.348 -3.425 -2.897 1.00 0.00 C ATOM 1237 C ALA A 79 -9.972 -2.761 -2.970 1.00 0.00 C ATOM 1238 O ALA A 79 -9.745 -1.885 -3.804 1.00 0.00 O ATOM 1239 CB ALA A 79 -12.097 -3.074 -1.609 1.00 0.00 C ATOM 0 H ALA A 79 -11.520 -5.385 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.940 -3.049 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.214 -1.993 -1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.080 -3.545 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.531 -3.434 -0.750 1.00 0.00 H new ATOM 1245 N ALA A 80 -9.089 -3.204 -2.087 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.741 -2.663 -2.041 1.00 0.00 C ATOM 1247 C ALA A 80 -7.161 -2.631 -3.456 1.00 0.00 C ATOM 1248 O ALA A 80 -6.605 -1.619 -3.880 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.889 -3.496 -1.081 1.00 0.00 C ATOM 0 H ALA A 80 -9.281 -3.931 -1.398 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.751 -1.640 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.878 -3.090 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.327 -3.463 -0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.854 -4.529 -1.428 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.310 -3.751 -4.148 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.807 -3.863 -5.507 1.00 0.00 C ATOM 1257 C ASP A 81 -7.521 -2.843 -6.396 1.00 0.00 C ATOM 1258 O ASP A 81 -6.963 -2.384 -7.392 1.00 0.00 O ATOM 1259 CB ASP A 81 -7.074 -5.257 -6.079 1.00 0.00 C ATOM 1260 CG ASP A 81 -6.082 -5.717 -7.150 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -4.988 -6.172 -6.752 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -6.441 -5.604 -8.342 1.00 0.00 O ATOM 0 H ASP A 81 -7.772 -4.589 -3.793 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.733 -3.681 -5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.063 -5.977 -5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.078 -5.273 -6.504 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.744 -2.517 -6.004 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.539 -1.559 -6.753 1.00 0.00 C ATOM 1269 C ASP A 82 -8.949 -0.160 -6.572 1.00 0.00 C ATOM 1270 O ASP A 82 -8.766 0.572 -7.543 1.00 0.00 O ATOM 1271 CB ASP A 82 -10.984 -1.532 -6.252 1.00 0.00 C ATOM 1272 CG ASP A 82 -12.044 -1.361 -7.341 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -11.673 -0.848 -8.419 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -13.202 -1.747 -7.072 1.00 0.00 O ATOM 0 H ASP A 82 -9.204 -2.899 -5.178 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.526 -1.857 -7.801 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.183 -2.459 -5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.088 -0.719 -5.534 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.667 0.171 -5.320 1.00 0.00 N ATOM 1280 CA ILE A 83 -8.101 1.470 -4.998 1.00 0.00 C ATOM 1281 C ILE A 83 -6.654 1.527 -5.491 1.00 0.00 C ATOM 1282 O ILE A 83 -6.222 2.537 -6.045 1.00 0.00 O ATOM 1283 CB ILE A 83 -8.255 1.767 -3.505 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.730 1.785 -3.099 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.540 3.066 -3.128 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.912 1.267 -1.671 1.00 0.00 C ATOM 0 H ILE A 83 -8.820 -0.438 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.645 2.261 -5.514 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.777 0.963 -2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.119 2.800 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.308 1.171 -3.789 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.665 3.254 -2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.478 2.977 -3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.967 3.894 -3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.969 1.290 -1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.544 0.243 -1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.352 1.898 -0.981 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.944 0.430 -5.270 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.554 0.343 -5.684 1.00 0.00 C ATOM 1300 C HIS A 84 -4.425 0.780 -7.145 1.00 0.00 C ATOM 1301 O HIS A 84 -3.740 1.755 -7.446 1.00 0.00 O ATOM 1302 CB HIS A 84 -4.000 -1.061 -5.434 1.00 0.00 C ATOM 1303 CG HIS A 84 -3.273 -1.654 -6.617 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -3.575 -2.902 -7.134 1.00 0.00 N ATOM 1305 CD2 HIS A 84 -2.255 -1.158 -7.378 1.00 0.00 C ATOM 1306 CE1 HIS A 84 -2.769 -3.136 -8.160 1.00 0.00 C ATOM 1307 NE2 HIS A 84 -1.952 -2.054 -8.309 1.00 0.00 N ATOM 0 H HIS A 84 -6.305 -0.406 -4.810 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.949 1.022 -5.083 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.320 -1.026 -4.583 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.822 -1.721 -5.158 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.777 -0.199 -7.245 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.761 -4.027 -8.771 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -1.227 -1.950 -9.019 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.095 0.036 -8.012 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.065 0.334 -9.434 1.00 0.00 C ATOM 1317 C ARG A 85 -5.294 1.828 -9.668 1.00 0.00 C ATOM 1318 O ARG A 85 -4.462 2.500 -10.277 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.132 -0.463 -10.187 1.00 0.00 C ATOM 1320 CG ARG A 85 -5.549 -1.756 -10.760 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.057 -1.547 -12.194 1.00 0.00 C ATOM 1322 NE ARG A 85 -5.761 -2.473 -13.110 1.00 0.00 N ATOM 1323 CZ ARG A 85 -5.555 -2.521 -14.433 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -4.665 -1.698 -15.003 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -6.239 -3.393 -15.186 1.00 0.00 N ATOM 0 H ARG A 85 -5.662 -0.773 -7.758 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.083 0.050 -9.811 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.957 -0.699 -9.515 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.542 0.144 -10.994 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.724 -2.096 -10.134 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.306 -2.540 -10.742 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.232 -0.516 -12.501 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.982 -1.717 -12.247 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.445 -3.114 -12.709 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.144 -1.035 -14.430 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.508 -1.735 -16.010 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.916 -4.020 -14.752 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.082 -3.430 -16.193 1.00 0.00 H new ATOM 1339 N SER A 86 -6.426 2.306 -9.172 1.00 0.00 N ATOM 1340 CA SER A 86 -6.775 3.709 -9.320 1.00 0.00 C ATOM 1341 C SER A 86 -5.591 4.588 -8.914 1.00 0.00 C ATOM 1342 O SER A 86 -5.453 5.711 -9.395 1.00 0.00 O ATOM 1343 CB SER A 86 -8.008 4.060 -8.485 1.00 0.00 C ATOM 1344 OG SER A 86 -7.668 4.381 -7.139 1.00 0.00 O ATOM 0 H SER A 86 -7.113 1.747 -8.667 1.00 0.00 H new ATOM 0 HA SER A 86 -7.014 3.894 -10.367 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.525 4.905 -8.940 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.702 3.220 -8.493 1.00 0.00 H new ATOM 0 HG SER A 86 -6.919 3.820 -6.848 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.766 4.044 -8.031 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.597 4.765 -7.555 1.00 0.00 C ATOM 1352 C LEU A 87 -2.449 4.580 -8.549 1.00 0.00 C ATOM 1353 O LEU A 87 -1.643 5.488 -8.746 1.00 0.00 O ATOM 1354 CB LEU A 87 -3.250 4.338 -6.127 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.714 5.279 -5.014 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -3.377 4.706 -3.636 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -3.139 6.683 -5.208 1.00 0.00 C ATOM 0 H LEU A 87 -4.884 3.112 -7.633 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.803 5.834 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.683 3.354 -5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.168 4.228 -6.055 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.799 5.366 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.717 5.394 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.874 3.744 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.299 4.571 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.484 7.332 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.050 6.635 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.472 7.084 -6.165 1.00 0.00 H new ATOM 1369 N MET A 88 -2.412 3.399 -9.148 1.00 0.00 N ATOM 1370 CA MET A 88 -1.375 3.084 -10.117 1.00 0.00 C ATOM 1371 C MET A 88 -1.757 3.585 -11.511 1.00 0.00 C ATOM 1372 O MET A 88 -0.934 3.576 -12.425 1.00 0.00 O ATOM 1373 CB MET A 88 -1.159 1.570 -10.159 1.00 0.00 C ATOM 1374 CG MET A 88 -0.542 1.142 -11.492 1.00 0.00 C ATOM 1375 SD MET A 88 0.176 -0.485 -11.337 1.00 0.00 S ATOM 1376 CE MET A 88 1.736 -0.065 -10.579 1.00 0.00 C ATOM 0 H MET A 88 -3.083 2.649 -8.982 1.00 0.00 H new ATOM 0 HA MET A 88 -0.455 3.583 -9.812 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.507 1.269 -9.339 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.111 1.059 -10.014 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.304 1.139 -12.271 1.00 0.00 H new ATOM 0 HG3 MET A 88 0.222 1.858 -11.796 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.162 -0.951 -10.109 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.422 0.308 -11.340 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.578 0.706 -9.824 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.007 4.010 -11.630 1.00 0.00 N ATOM 1387 CA VAL A 89 -3.508 4.513 -12.898 1.00 0.00 C ATOM 1388 C VAL A 89 -3.001 5.941 -13.110 1.00 0.00 C ATOM 1389 O VAL A 89 -2.425 6.250 -14.152 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.034 4.409 -12.936 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -5.603 5.131 -14.159 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.484 2.947 -12.903 1.00 0.00 C ATOM 0 H VAL A 89 -3.687 4.016 -10.870 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.134 3.908 -13.724 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.426 4.901 -12.046 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.689 5.042 -14.162 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.326 6.184 -14.121 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.200 4.682 -15.067 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.573 2.901 -12.931 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.076 2.421 -13.766 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.124 2.476 -11.988 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.235 6.774 -12.107 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.809 8.162 -12.171 1.00 0.00 C ATOM 1404 C ASP A 90 -1.452 8.307 -11.480 1.00 0.00 C ATOM 1405 O ASP A 90 -0.440 8.549 -12.136 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.805 9.077 -11.455 1.00 0.00 C ATOM 1407 CG ASP A 90 -5.144 9.261 -12.171 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -5.991 8.352 -12.034 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -5.290 10.307 -12.839 1.00 0.00 O ATOM 0 H ASP A 90 -3.714 6.515 -11.245 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.747 8.448 -13.221 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.995 8.675 -10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.344 10.056 -11.321 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.474 8.152 -10.164 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.258 8.263 -9.377 1.00 0.00 C ATOM 1416 C HIS A 91 0.574 6.989 -9.536 1.00 0.00 C ATOM 1417 O HIS A 91 0.840 6.290 -8.559 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.583 8.580 -7.916 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.605 9.678 -7.739 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -1.265 11.019 -7.697 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -2.960 9.619 -7.594 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.373 11.726 -7.533 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.422 10.857 -7.469 1.00 0.00 N ATOM 0 H HIS A 91 -2.315 7.950 -9.623 1.00 0.00 H new ATOM 0 HA HIS A 91 0.342 9.096 -9.744 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.949 7.675 -7.431 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.336 8.866 -7.404 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.556 8.718 -7.583 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.435 12.802 -7.462 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.401 11.116 -7.345 1.00 0.00 H new ATOM 1431 N VAL A 92 0.962 6.725 -10.775 1.00 0.00 N ATOM 1432 CA VAL A 92 1.759 5.547 -11.074 1.00 0.00 C ATOM 1433 C VAL A 92 3.233 5.850 -10.799 1.00 0.00 C ATOM 1434 O VAL A 92 3.922 5.063 -10.150 1.00 0.00 O ATOM 1435 CB VAL A 92 1.500 5.092 -12.512 1.00 0.00 C ATOM 1436 CG1 VAL A 92 2.319 5.920 -13.505 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.788 3.598 -12.675 1.00 0.00 C ATOM 0 H VAL A 92 0.740 7.306 -11.583 1.00 0.00 H new ATOM 0 HA VAL A 92 1.472 4.717 -10.428 1.00 0.00 H new ATOM 0 HB VAL A 92 0.445 5.255 -12.730 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.116 5.576 -14.519 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.044 6.971 -13.416 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.381 5.803 -13.288 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.596 3.301 -13.706 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.831 3.400 -12.428 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.142 3.028 -12.007 1.00 0.00 H new ATOM 1447 N THR A 93 3.674 6.992 -11.306 1.00 0.00 N ATOM 1448 CA THR A 93 5.054 7.408 -11.123 1.00 0.00 C ATOM 1449 C THR A 93 5.339 7.674 -9.643 1.00 0.00 C ATOM 1450 O THR A 93 6.493 7.836 -9.249 1.00 0.00 O ATOM 1451 CB THR A 93 5.304 8.624 -12.017 1.00 0.00 C ATOM 1452 OG1 THR A 93 5.931 8.080 -13.175 1.00 0.00 O ATOM 1453 CG2 THR A 93 6.353 9.573 -11.436 1.00 0.00 C ATOM 0 H THR A 93 3.100 7.642 -11.843 1.00 0.00 H new ATOM 0 HA THR A 93 5.747 6.620 -11.419 1.00 0.00 H new ATOM 0 HB THR A 93 4.369 9.164 -12.164 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.127 8.800 -13.810 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.492 10.418 -12.110 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.018 9.935 -10.464 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.298 9.043 -11.319 1.00 0.00 H new ATOM 1461 N GLU A 94 4.268 7.710 -8.864 1.00 0.00 N ATOM 1462 CA GLU A 94 4.388 7.954 -7.437 1.00 0.00 C ATOM 1463 C GLU A 94 4.412 6.628 -6.673 1.00 0.00 C ATOM 1464 O GLU A 94 5.392 6.313 -6.000 1.00 0.00 O ATOM 1465 CB GLU A 94 3.258 8.855 -6.937 1.00 0.00 C ATOM 1466 CG GLU A 94 3.635 10.332 -7.068 1.00 0.00 C ATOM 1467 CD GLU A 94 2.982 11.165 -5.963 1.00 0.00 C ATOM 1468 OE1 GLU A 94 2.512 10.543 -4.986 1.00 0.00 O ATOM 1469 OE2 GLU A 94 2.967 12.405 -6.121 1.00 0.00 O ATOM 0 H GLU A 94 3.313 7.574 -9.194 1.00 0.00 H new ATOM 0 HA GLU A 94 5.329 8.474 -7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.350 8.656 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.038 8.623 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.718 10.440 -7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.322 10.706 -8.043 1.00 0.00 H new ATOM 1476 N VAL A 95 3.321 5.888 -6.802 1.00 0.00 N ATOM 1477 CA VAL A 95 3.204 4.604 -6.132 1.00 0.00 C ATOM 1478 C VAL A 95 4.320 3.677 -6.617 1.00 0.00 C ATOM 1479 O VAL A 95 4.851 2.881 -5.845 1.00 0.00 O ATOM 1480 CB VAL A 95 1.806 4.024 -6.353 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.728 4.978 -5.835 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.578 3.688 -7.828 1.00 0.00 C ATOM 0 H VAL A 95 2.510 6.153 -7.361 1.00 0.00 H new ATOM 0 HA VAL A 95 3.325 4.722 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 95 1.735 3.097 -5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.256 4.541 -6.005 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.872 5.145 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.799 5.929 -6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.577 3.277 -7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.679 4.593 -8.427 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.316 2.954 -8.152 1.00 0.00 H new ATOM 1492 N SER A 96 4.642 3.810 -7.896 1.00 0.00 N ATOM 1493 CA SER A 96 5.685 2.995 -8.494 1.00 0.00 C ATOM 1494 C SER A 96 6.967 3.092 -7.663 1.00 0.00 C ATOM 1495 O SER A 96 7.136 4.028 -6.883 1.00 0.00 O ATOM 1496 CB SER A 96 5.956 3.419 -9.938 1.00 0.00 C ATOM 1497 OG SER A 96 6.304 4.797 -10.034 1.00 0.00 O ATOM 0 H SER A 96 4.198 4.470 -8.534 1.00 0.00 H new ATOM 0 HA SER A 96 5.344 1.960 -8.506 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.763 2.812 -10.349 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.071 3.226 -10.545 1.00 0.00 H new ATOM 0 HG SER A 96 5.563 5.345 -9.701 1.00 0.00 H new ATOM 1503 N GLN A 97 7.836 2.112 -7.858 1.00 0.00 N ATOM 1504 CA GLN A 97 9.097 2.075 -7.137 1.00 0.00 C ATOM 1505 C GLN A 97 8.912 1.397 -5.778 1.00 0.00 C ATOM 1506 O GLN A 97 9.842 1.344 -4.975 1.00 0.00 O ATOM 1507 CB GLN A 97 9.676 3.482 -6.974 1.00 0.00 C ATOM 1508 CG GLN A 97 11.188 3.484 -7.213 1.00 0.00 C ATOM 1509 CD GLN A 97 11.776 4.878 -6.987 1.00 0.00 C ATOM 1510 OE1 GLN A 97 12.188 5.238 -5.896 1.00 0.00 O ATOM 1511 NE2 GLN A 97 11.793 5.641 -8.077 1.00 0.00 N ATOM 0 H GLN A 97 7.692 1.337 -8.505 1.00 0.00 H new ATOM 0 HA GLN A 97 9.809 1.490 -7.719 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.192 4.162 -7.676 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.462 3.853 -5.972 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.667 2.770 -6.543 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.399 3.157 -8.231 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.432 5.278 -8.959 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.167 6.589 -8.030 1.00 0.00 H new ATOM 1520 N TRP A 98 7.704 0.896 -5.562 1.00 0.00 N ATOM 1521 CA TRP A 98 7.385 0.224 -4.314 1.00 0.00 C ATOM 1522 C TRP A 98 6.024 -0.455 -4.478 1.00 0.00 C ATOM 1523 O TRP A 98 5.841 -1.596 -4.057 1.00 0.00 O ATOM 1524 CB TRP A 98 7.429 1.201 -3.138 1.00 0.00 C ATOM 1525 CG TRP A 98 6.472 2.387 -3.278 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.698 3.564 -3.877 1.00 0.00 C ATOM 1527 CD2 TRP A 98 5.118 2.462 -2.783 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.595 4.389 -3.804 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.603 3.698 -3.117 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.355 1.518 -2.075 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.305 4.103 -2.786 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 3.059 1.938 -1.751 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.526 3.178 -2.080 1.00 0.00 C ATOM 0 H TRP A 98 6.935 0.942 -6.230 1.00 0.00 H new ATOM 0 HA TRP A 98 8.129 -0.539 -4.085 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.191 0.661 -2.221 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.446 1.579 -3.030 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.627 3.833 -4.357 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.521 5.333 -4.184 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.738 0.546 -1.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.925 5.076 -3.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.429 1.249 -1.207 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.515 3.427 -1.793 1.00 0.00 H new ATOM 1544 N MET A 99 5.104 0.277 -5.089 1.00 0.00 N ATOM 1545 CA MET A 99 3.764 -0.240 -5.313 1.00 0.00 C ATOM 1546 C MET A 99 3.800 -1.736 -5.635 1.00 0.00 C ATOM 1547 O MET A 99 2.911 -2.483 -5.229 1.00 0.00 O ATOM 1548 CB MET A 99 3.112 0.516 -6.473 1.00 0.00 C ATOM 1549 CG MET A 99 1.790 -0.139 -6.879 1.00 0.00 C ATOM 1550 SD MET A 99 0.460 1.046 -6.757 1.00 0.00 S ATOM 1551 CE MET A 99 -0.030 0.788 -5.060 1.00 0.00 C ATOM 0 H MET A 99 5.260 1.224 -5.436 1.00 0.00 H new ATOM 0 HA MET A 99 3.183 -0.097 -4.402 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.935 1.552 -6.183 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.790 0.535 -7.326 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.860 -0.516 -7.899 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.586 -0.995 -6.236 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.857 1.454 -4.815 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.345 -0.247 -4.926 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.813 0.999 -4.402 1.00 0.00 H new ATOM 1561 N VAL A 100 4.838 -2.128 -6.360 1.00 0.00 N ATOM 1562 CA VAL A 100 5.001 -3.520 -6.740 1.00 0.00 C ATOM 1563 C VAL A 100 4.834 -4.406 -5.504 1.00 0.00 C ATOM 1564 O VAL A 100 4.079 -5.376 -5.528 1.00 0.00 O ATOM 1565 CB VAL A 100 6.348 -3.717 -7.439 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.390 -2.967 -8.772 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.504 -3.289 -6.532 1.00 0.00 C ATOM 0 H VAL A 100 5.574 -1.506 -6.694 1.00 0.00 H new ATOM 0 HA VAL A 100 4.232 -3.813 -7.455 1.00 0.00 H new ATOM 0 HB VAL A 100 6.463 -4.780 -7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.358 -3.124 -9.248 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.600 -3.340 -9.424 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.241 -1.902 -8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.450 -3.439 -7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.394 -2.235 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.492 -3.887 -5.621 1.00 0.00 H new ATOM 1577 N GLY A 101 5.551 -4.039 -4.452 1.00 0.00 N ATOM 1578 CA GLY A 101 5.491 -4.787 -3.208 1.00 0.00 C ATOM 1579 C GLY A 101 4.054 -4.879 -2.691 1.00 0.00 C ATOM 1580 O GLY A 101 3.505 -5.973 -2.563 1.00 0.00 O ATOM 0 H GLY A 101 6.176 -3.233 -4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.890 -5.789 -3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.120 -4.305 -2.459 1.00 0.00 H new ATOM 1584 N VAL A 102 3.485 -3.717 -2.409 1.00 0.00 N ATOM 1585 CA VAL A 102 2.122 -3.652 -1.910 1.00 0.00 C ATOM 1586 C VAL A 102 1.233 -4.574 -2.746 1.00 0.00 C ATOM 1587 O VAL A 102 0.503 -5.401 -2.201 1.00 0.00 O ATOM 1588 CB VAL A 102 1.637 -2.201 -1.899 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.177 -2.114 -1.448 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.535 -1.328 -1.021 1.00 0.00 C ATOM 0 H VAL A 102 3.943 -2.812 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 102 2.075 -4.003 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 102 1.696 -1.821 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.143 -1.072 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.450 -2.687 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.082 -2.522 -0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.167 -0.302 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.524 -1.707 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.554 -1.352 -1.406 1.00 0.00 H new ATOM 1600 N LYS A 103 1.323 -4.401 -4.057 1.00 0.00 N ATOM 1601 CA LYS A 103 0.536 -5.208 -4.974 1.00 0.00 C ATOM 1602 C LYS A 103 0.666 -6.683 -4.590 1.00 0.00 C ATOM 1603 O LYS A 103 -0.319 -7.420 -4.600 1.00 0.00 O ATOM 1604 CB LYS A 103 0.931 -4.912 -6.422 1.00 0.00 C ATOM 1605 CG LYS A 103 0.059 -5.701 -7.401 1.00 0.00 C ATOM 1606 CD LYS A 103 -0.026 -4.992 -8.754 1.00 0.00 C ATOM 1607 CE LYS A 103 -0.485 -5.957 -9.850 1.00 0.00 C ATOM 1608 NZ LYS A 103 0.599 -6.177 -10.833 1.00 0.00 N ATOM 0 H LYS A 103 1.929 -3.714 -4.506 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.520 -4.951 -4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.831 -3.845 -6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.979 -5.167 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.471 -6.701 -7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.942 -5.822 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.721 -4.155 -8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.948 -4.578 -9.014 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.780 -6.908 -9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.364 -5.554 -10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.271 -6.834 -11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.861 -5.270 -11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.427 -6.582 -10.352 1.00 0.00 H new ATOM 1622 N ARG A 104 1.890 -7.070 -4.261 1.00 0.00 N ATOM 1623 CA ARG A 104 2.162 -8.444 -3.875 1.00 0.00 C ATOM 1624 C ARG A 104 1.625 -8.716 -2.468 1.00 0.00 C ATOM 1625 O ARG A 104 0.888 -9.678 -2.257 1.00 0.00 O ATOM 1626 CB ARG A 104 3.663 -8.738 -3.906 1.00 0.00 C ATOM 1627 CG ARG A 104 3.934 -10.227 -3.686 1.00 0.00 C ATOM 1628 CD ARG A 104 3.522 -11.047 -4.911 1.00 0.00 C ATOM 1629 NE ARG A 104 4.589 -10.999 -5.934 1.00 0.00 N ATOM 1630 CZ ARG A 104 5.657 -11.809 -5.945 1.00 0.00 C ATOM 1631 NH1 ARG A 104 5.806 -12.734 -4.987 1.00 0.00 N ATOM 1632 NH2 ARG A 104 6.576 -11.694 -6.913 1.00 0.00 N ATOM 0 H ARG A 104 2.704 -6.456 -4.254 1.00 0.00 H new ATOM 0 HA ARG A 104 1.661 -9.095 -4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.079 -8.427 -4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.167 -8.155 -3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.993 -10.381 -3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.386 -10.574 -2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.332 -12.080 -4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.592 -10.656 -5.325 1.00 0.00 H new ATOM 0 HE ARG A 104 4.507 -10.306 -6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.107 -12.822 -4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.619 -13.350 -4.995 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.463 -10.990 -7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 104 7.388 -12.311 -6.921 1.00 0.00 H new ATOM 1646 N LEU A 105 2.015 -7.852 -1.543 1.00 0.00 N ATOM 1647 CA LEU A 105 1.582 -7.987 -0.163 1.00 0.00 C ATOM 1648 C LEU A 105 0.102 -8.376 -0.133 1.00 0.00 C ATOM 1649 O LEU A 105 -0.271 -9.360 0.503 1.00 0.00 O ATOM 1650 CB LEU A 105 1.899 -6.714 0.625 1.00 0.00 C ATOM 1651 CG LEU A 105 1.720 -6.802 2.142 1.00 0.00 C ATOM 1652 CD1 LEU A 105 3.019 -6.449 2.869 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.548 -5.935 2.607 1.00 0.00 C ATOM 0 H LEU A 105 2.626 -7.055 -1.722 1.00 0.00 H new ATOM 0 HA LEU A 105 2.133 -8.787 0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.930 -6.429 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.264 -5.911 0.250 1.00 0.00 H new ATOM 0 HG LEU A 105 1.478 -7.834 2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.864 -6.519 3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.804 -7.143 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.316 -5.432 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.443 -6.016 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.735 -4.896 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.369 -6.275 2.127 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.699 -7.583 -0.828 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.130 -7.832 -0.889 1.00 0.00 C ATOM 1667 C ILE A 106 -2.372 -9.307 -1.214 1.00 0.00 C ATOM 1668 O ILE A 106 -3.015 -10.019 -0.444 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.800 -6.868 -1.869 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.603 -5.415 -1.431 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.279 -7.215 -2.055 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.730 -4.462 -2.621 1.00 0.00 C ATOM 0 H ILE A 106 -0.385 -6.767 -1.354 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.593 -7.638 0.079 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.318 -6.979 -2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.342 -5.156 -0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.621 -5.300 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.732 -6.514 -2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.369 -8.229 -2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.792 -7.150 -1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.586 -3.436 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.974 -4.708 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.721 -4.562 -3.063 1.00 0.00 H new ATOM 1684 N ALA A 107 -1.845 -9.723 -2.356 1.00 0.00 N ATOM 1685 CA ALA A 107 -1.997 -11.101 -2.793 1.00 0.00 C ATOM 1686 C ALA A 107 -1.567 -12.039 -1.664 1.00 0.00 C ATOM 1687 O ALA A 107 -2.285 -12.979 -1.326 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.190 -11.322 -4.074 1.00 0.00 C ATOM 0 H ALA A 107 -1.312 -9.130 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.040 -11.318 -3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.304 -12.355 -4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.553 -10.652 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.137 -11.117 -3.881 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.398 -11.751 -1.111 1.00 0.00 N ATOM 1695 CA GLU A 108 0.136 -12.558 -0.027 1.00 0.00 C ATOM 1696 C GLU A 108 -0.854 -12.604 1.138 1.00 0.00 C ATOM 1697 O GLU A 108 -1.297 -13.679 1.540 1.00 0.00 O ATOM 1698 CB GLU A 108 1.497 -12.029 0.431 1.00 0.00 C ATOM 1699 CG GLU A 108 2.579 -12.327 -0.609 1.00 0.00 C ATOM 1700 CD GLU A 108 2.587 -13.810 -0.984 1.00 0.00 C ATOM 1701 OE1 GLU A 108 2.209 -14.618 -0.108 1.00 0.00 O ATOM 1702 OE2 GLU A 108 2.970 -14.102 -2.137 1.00 0.00 O ATOM 0 H GLU A 108 0.194 -10.970 -1.393 1.00 0.00 H new ATOM 0 HA GLU A 108 0.282 -13.574 -0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.435 -10.954 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.767 -12.486 1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.407 -11.724 -1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.555 -12.043 -0.215 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.174 -11.423 1.649 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.104 -11.315 2.760 1.00 0.00 C ATOM 1711 C LYS A 109 -3.313 -12.215 2.496 1.00 0.00 C ATOM 1712 O LYS A 109 -3.596 -13.125 3.274 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.470 -9.851 3.012 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.415 -9.164 3.881 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.528 -9.615 5.339 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.760 -9.002 6.008 1.00 0.00 C ATOM 1717 NZ LYS A 109 -3.186 -9.824 7.163 1.00 0.00 N ATOM 0 H LYS A 109 -0.805 -10.533 1.314 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.640 -11.666 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.561 -9.326 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.442 -9.795 3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.420 -9.394 3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.537 -8.083 3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.589 -10.702 5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.630 -9.323 5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.535 -7.988 6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.574 -8.928 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.023 -9.394 7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.421 -10.784 6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.414 -9.873 7.858 1.00 0.00 H new ATOM 1731 N LYS A 110 -3.995 -11.928 1.397 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.167 -12.700 1.021 1.00 0.00 C ATOM 1733 C LYS A 110 -4.835 -14.192 1.092 1.00 0.00 C ATOM 1734 O LYS A 110 -5.584 -14.971 1.680 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.689 -12.251 -0.345 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.885 -13.100 -0.782 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.271 -12.799 -2.232 1.00 0.00 C ATOM 1738 CE LYS A 110 -8.546 -13.547 -2.626 1.00 0.00 C ATOM 1739 NZ LYS A 110 -9.668 -12.599 -2.805 1.00 0.00 N ATOM 0 H LYS A 110 -3.758 -11.172 0.755 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.982 -12.521 1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.981 -11.202 -0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.893 -12.329 -1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.642 -14.158 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.734 -12.903 -0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.421 -11.727 -2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.456 -13.087 -2.896 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.379 -14.101 -3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.798 -14.278 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.379 -13.018 -3.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.102 -12.397 -1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.312 -11.715 -3.221 1.00 0.00 H new ATOM 1753 N SER A 111 -3.712 -14.545 0.485 1.00 0.00 N ATOM 1754 CA SER A 111 -3.271 -15.929 0.472 1.00 0.00 C ATOM 1755 C SER A 111 -3.234 -16.480 1.899 1.00 0.00 C ATOM 1756 O SER A 111 -3.731 -17.575 2.159 1.00 0.00 O ATOM 1757 CB SER A 111 -1.896 -16.064 -0.184 1.00 0.00 C ATOM 1758 OG SER A 111 -1.840 -17.166 -1.086 1.00 0.00 O ATOM 0 H SER A 111 -3.094 -13.896 -0.002 1.00 0.00 H new ATOM 0 HA SER A 111 -3.982 -16.508 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.658 -15.145 -0.720 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.137 -16.189 0.588 1.00 0.00 H new ATOM 0 HG SER A 111 -0.946 -17.217 -1.485 1.00 0.00 H new ATOM 1764 N LEU A 112 -2.640 -15.695 2.787 1.00 0.00 N ATOM 1765 CA LEU A 112 -2.532 -16.091 4.181 1.00 0.00 C ATOM 1766 C LEU A 112 -3.905 -16.536 4.689 1.00 0.00 C ATOM 1767 O LEU A 112 -4.071 -17.676 5.121 1.00 0.00 O ATOM 1768 CB LEU A 112 -1.905 -14.967 5.009 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.497 -14.534 4.595 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.010 -13.363 5.450 1.00 0.00 C ATOM 1771 CD2 LEU A 112 0.474 -15.716 4.635 1.00 0.00 C ATOM 0 H LEU A 112 -2.229 -14.788 2.568 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.862 -16.945 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.560 -14.097 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.874 -15.284 6.051 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.537 -14.185 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.993 -13.075 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.686 -12.517 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.010 -13.662 6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.467 -15.381 4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.516 -16.119 5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.131 -16.492 3.950 1.00 0.00 H new ATOM 1783 N SER A 113 -4.854 -15.614 4.619 1.00 0.00 N ATOM 1784 CA SER A 113 -6.207 -15.897 5.067 1.00 0.00 C ATOM 1785 C SER A 113 -6.620 -17.303 4.626 1.00 0.00 C ATOM 1786 O SER A 113 -6.947 -18.147 5.458 1.00 0.00 O ATOM 1787 CB SER A 113 -7.194 -14.860 4.527 1.00 0.00 C ATOM 1788 OG SER A 113 -8.409 -14.842 5.272 1.00 0.00 O ATOM 0 H SER A 113 -4.713 -14.670 4.259 1.00 0.00 H new ATOM 0 HA SER A 113 -6.226 -15.844 6.156 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.735 -13.872 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.413 -15.077 3.482 1.00 0.00 H new ATOM 0 HG SER A 113 -9.012 -14.166 4.898 1.00 0.00 H new ATOM 1794 N GLY A 114 -6.592 -17.510 3.317 1.00 0.00 N ATOM 1795 CA GLY A 114 -6.959 -18.799 2.756 1.00 0.00 C ATOM 1796 C GLY A 114 -8.213 -18.681 1.886 1.00 0.00 C ATOM 1797 O GLY A 114 -8.118 -18.433 0.685 1.00 0.00 O ATOM 0 H GLY A 114 -6.321 -16.807 2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.134 -19.189 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.136 -19.513 3.561 1.00 0.00 H new ATOM 1801 N PRO A 115 -9.388 -18.869 2.544 1.00 0.00 N ATOM 1802 CA PRO A 115 -10.659 -18.787 1.844 1.00 0.00 C ATOM 1803 C PRO A 115 -11.023 -17.332 1.539 1.00 0.00 C ATOM 1804 O PRO A 115 -11.255 -16.976 0.385 1.00 0.00 O ATOM 1805 CB PRO A 115 -11.659 -19.469 2.763 1.00 0.00 C ATOM 1806 CG PRO A 115 -11.012 -19.495 4.138 1.00 0.00 C ATOM 1807 CD PRO A 115 -9.538 -19.165 3.966 1.00 0.00 C ATOM 0 HA PRO A 115 -10.636 -19.276 0.870 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -12.603 -18.924 2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -11.882 -20.478 2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.490 -18.772 4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.132 -20.476 4.598 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.249 -18.313 4.581 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -8.907 -20.002 4.265 1.00 0.00 H new ATOM 1815 N SER A 116 -11.061 -16.531 2.594 1.00 0.00 N ATOM 1816 CA SER A 116 -11.393 -15.124 2.453 1.00 0.00 C ATOM 1817 C SER A 116 -12.825 -14.973 1.935 1.00 0.00 C ATOM 1818 O SER A 116 -13.262 -15.737 1.077 1.00 0.00 O ATOM 1819 CB SER A 116 -10.412 -14.418 1.514 1.00 0.00 C ATOM 1820 OG SER A 116 -10.890 -13.138 1.107 1.00 0.00 O ATOM 0 H SER A 116 -10.867 -16.830 3.550 1.00 0.00 H new ATOM 0 HA SER A 116 -11.317 -14.655 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 116 -9.450 -14.304 2.014 1.00 0.00 H new ATOM 0 HB3 SER A 116 -10.242 -15.038 0.634 1.00 0.00 H new ATOM 0 HG SER A 116 -10.435 -12.866 0.283 1.00 0.00 H new ATOM 1826 N SER A 117 -13.516 -13.982 2.480 1.00 0.00 N ATOM 1827 CA SER A 117 -14.889 -13.721 2.084 1.00 0.00 C ATOM 1828 C SER A 117 -15.813 -14.795 2.662 1.00 0.00 C ATOM 1829 O SER A 117 -16.627 -14.512 3.540 1.00 0.00 O ATOM 1830 CB SER A 117 -15.023 -13.669 0.561 1.00 0.00 C ATOM 1831 OG SER A 117 -16.073 -12.799 0.147 1.00 0.00 O ATOM 0 H SER A 117 -13.150 -13.350 3.193 1.00 0.00 H new ATOM 0 HA SER A 117 -15.180 -12.748 2.480 1.00 0.00 H new ATOM 0 HB2 SER A 117 -14.082 -13.334 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 117 -15.212 -14.672 0.179 1.00 0.00 H new ATOM 0 HG SER A 117 -16.125 -12.792 -0.832 1.00 0.00 H new ATOM 1837 N GLY A 118 -15.657 -16.005 2.145 1.00 0.00 N ATOM 1838 CA GLY A 118 -16.467 -17.123 2.598 1.00 0.00 C ATOM 1839 C GLY A 118 -17.826 -17.135 1.895 1.00 0.00 C ATOM 1840 O GLY A 118 -18.639 -18.029 2.125 1.00 0.00 O ATOM 0 H GLY A 118 -14.981 -16.236 1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -15.944 -18.059 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -16.612 -17.059 3.676 1.00 0.00 H new TER 1844 GLY A 118