USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 829 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 NoAdj-H: A 27 HIS HD1 : A 27 HIS ND1 : A 115 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -150:sc=0.000989 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 1.02 K(o=1,f=-0.042) USER MOD Single : A 11 GLN : amide:sc= -0.0549 X(o=-0.055,f=-0.5) USER MOD Single : A 12 ASN : amide:sc= 0.196 K(o=0.2,f=-5.7!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.0251 F(o=-1.1,f=-0.025) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.0631 USER MOD Single : A 48 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 49 TYR OH : rot -112:sc= 1.5 USER MOD Single : A 50 LYS NZ :NH3+ -126:sc= 0.756 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 149:sc= 1.15 USER MOD Single : A 66 SER OG : rot -50:sc= 1.61 USER MOD Single : A 69 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.03) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 85 MET CE :methyl 152:sc= -0.405 (180deg=-1.39!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -4.17! C(o=-4.2!,f=-5.4!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.498 K(o=-0.5,f=-1.6) USER MOD Single : A 109 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.536 -9.136 -4.878 1.00 0.00 N ATOM 2 CA GLY A 1 -19.717 -10.047 -5.714 1.00 0.00 C ATOM 3 C GLY A 1 -18.281 -9.577 -5.827 1.00 0.00 C ATOM 4 O GLY A 1 -17.687 -9.132 -4.844 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.289 -9.678 -4.409 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.933 -8.688 -4.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.961 -8.401 -5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.738 -11.049 -5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.155 -10.117 -6.710 1.00 0.00 H new ATOM 10 N SER A 2 -17.721 -9.675 -7.024 1.00 0.00 N ATOM 11 CA SER A 2 -16.346 -9.265 -7.258 1.00 0.00 C ATOM 12 C SER A 2 -16.277 -7.810 -7.709 1.00 0.00 C ATOM 13 O SER A 2 -17.137 -7.336 -8.453 1.00 0.00 O ATOM 14 CB SER A 2 -15.704 -10.178 -8.301 1.00 0.00 C ATOM 15 OG SER A 2 -15.963 -11.541 -8.000 1.00 0.00 O ATOM 0 H SER A 2 -18.200 -10.036 -7.849 1.00 0.00 H new ATOM 0 HA SER A 2 -15.796 -9.350 -6.321 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.093 -9.938 -9.291 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.628 -10.005 -8.331 1.00 0.00 H new ATOM 0 HG SER A 2 -15.546 -12.111 -8.679 1.00 0.00 H new ATOM 21 N LEU A 3 -15.243 -7.113 -7.259 1.00 0.00 N ATOM 22 CA LEU A 3 -15.027 -5.723 -7.631 1.00 0.00 C ATOM 23 C LEU A 3 -13.635 -5.563 -8.222 1.00 0.00 C ATOM 24 O LEU A 3 -13.466 -5.507 -9.439 1.00 0.00 O ATOM 25 CB LEU A 3 -15.189 -4.809 -6.412 1.00 0.00 C ATOM 26 CG LEU A 3 -16.633 -4.561 -5.974 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.815 -4.922 -4.508 1.00 0.00 C ATOM 28 CD2 LEU A 3 -17.021 -3.114 -6.224 1.00 0.00 C ATOM 0 H LEU A 3 -14.535 -7.492 -6.630 1.00 0.00 H new ATOM 0 HA LEU A 3 -15.770 -5.438 -8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.642 -5.244 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.723 -3.849 -6.633 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.289 -5.199 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.848 -4.739 -4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.577 -5.975 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.150 -4.311 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -18.051 -2.954 -5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.361 -2.457 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.930 -2.891 -7.287 1.00 0.00 H new ATOM 40 N LEU A 4 -12.637 -5.630 -7.360 1.00 0.00 N ATOM 41 CA LEU A 4 -11.249 -5.635 -7.785 1.00 0.00 C ATOM 42 C LEU A 4 -10.591 -6.904 -7.289 1.00 0.00 C ATOM 43 O LEU A 4 -11.071 -7.518 -6.343 1.00 0.00 O ATOM 44 CB LEU A 4 -10.504 -4.426 -7.222 1.00 0.00 C ATOM 45 CG LEU A 4 -11.256 -3.104 -7.287 1.00 0.00 C ATOM 46 CD1 LEU A 4 -11.261 -2.436 -5.923 1.00 0.00 C ATOM 47 CD2 LEU A 4 -10.625 -2.197 -8.329 1.00 0.00 C ATOM 0 H LEU A 4 -12.765 -5.682 -6.349 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.212 -5.587 -8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.251 -4.629 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.564 -4.316 -7.763 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.289 -3.296 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.802 -1.491 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.750 -3.089 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.235 -2.247 -5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.170 -1.254 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.586 -2.005 -8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.666 -2.681 -9.305 1.00 0.00 H new ATOM 59 N THR A 5 -9.476 -7.275 -7.873 1.00 0.00 N ATOM 60 CA THR A 5 -8.769 -8.452 -7.414 1.00 0.00 C ATOM 61 C THR A 5 -7.359 -8.114 -6.976 1.00 0.00 C ATOM 62 O THR A 5 -6.648 -7.358 -7.643 1.00 0.00 O ATOM 63 CB THR A 5 -8.732 -9.549 -8.481 1.00 0.00 C ATOM 64 OG1 THR A 5 -9.224 -9.038 -9.728 1.00 0.00 O ATOM 65 CG2 THR A 5 -9.582 -10.723 -8.042 1.00 0.00 C ATOM 0 H THR A 5 -9.042 -6.788 -8.657 1.00 0.00 H new ATOM 0 HA THR A 5 -9.322 -8.831 -6.555 1.00 0.00 H new ATOM 0 HB THR A 5 -7.702 -9.879 -8.612 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.195 -9.745 -10.406 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.551 -11.500 -8.806 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.196 -11.121 -7.104 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.611 -10.394 -7.900 1.00 0.00 H new ATOM 73 N CYS A 6 -6.989 -8.636 -5.819 1.00 0.00 N ATOM 74 CA CYS A 6 -5.692 -8.378 -5.238 1.00 0.00 C ATOM 75 C CYS A 6 -4.694 -9.423 -5.710 1.00 0.00 C ATOM 76 O CYS A 6 -5.039 -10.596 -5.862 1.00 0.00 O ATOM 77 CB CYS A 6 -5.813 -8.359 -3.710 1.00 0.00 C ATOM 78 SG CYS A 6 -4.561 -9.324 -2.807 1.00 0.00 S ATOM 0 H CYS A 6 -7.582 -9.249 -5.260 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.326 -7.404 -5.562 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.760 -7.324 -3.373 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.800 -8.733 -3.437 1.00 0.00 H new ATOM 83 N GLY A 7 -3.492 -8.977 -6.030 1.00 0.00 N ATOM 84 CA GLY A 7 -2.487 -9.872 -6.562 1.00 0.00 C ATOM 85 C GLY A 7 -1.825 -10.718 -5.490 1.00 0.00 C ATOM 86 O GLY A 7 -0.969 -11.551 -5.792 1.00 0.00 O ATOM 0 H GLY A 7 -3.192 -8.007 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.946 -10.527 -7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.725 -9.289 -7.080 1.00 0.00 H new ATOM 90 N GLY A 8 -2.202 -10.494 -4.240 1.00 0.00 N ATOM 91 CA GLY A 8 -1.608 -11.232 -3.145 1.00 0.00 C ATOM 92 C GLY A 8 -2.333 -12.530 -2.863 1.00 0.00 C ATOM 93 O GLY A 8 -1.716 -13.597 -2.814 1.00 0.00 O ATOM 0 H GLY A 8 -2.910 -9.813 -3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.565 -11.445 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.614 -10.613 -2.248 1.00 0.00 H new ATOM 97 N CYS A 9 -3.642 -12.445 -2.659 1.00 0.00 N ATOM 98 CA CYS A 9 -4.436 -13.622 -2.340 1.00 0.00 C ATOM 99 C CYS A 9 -5.313 -14.029 -3.518 1.00 0.00 C ATOM 100 O CYS A 9 -5.703 -15.193 -3.642 1.00 0.00 O ATOM 101 CB CYS A 9 -5.308 -13.353 -1.113 1.00 0.00 C ATOM 102 SG CYS A 9 -6.561 -12.060 -1.368 1.00 0.00 S ATOM 0 H CYS A 9 -4.173 -11.576 -2.709 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.751 -14.442 -2.123 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -5.808 -14.278 -0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.667 -13.065 -0.280 1.00 0.00 H new ATOM 107 N GLN A 10 -5.633 -13.050 -4.365 1.00 0.00 N ATOM 108 CA GLN A 10 -6.477 -13.261 -5.533 1.00 0.00 C ATOM 109 C GLN A 10 -7.883 -13.713 -5.130 1.00 0.00 C ATOM 110 O GLN A 10 -8.575 -14.388 -5.891 1.00 0.00 O ATOM 111 CB GLN A 10 -5.826 -14.276 -6.468 1.00 0.00 C ATOM 112 CG GLN A 10 -4.559 -13.767 -7.137 1.00 0.00 C ATOM 113 CD GLN A 10 -4.828 -13.034 -8.436 1.00 0.00 C ATOM 114 OE1 GLN A 10 -4.826 -13.631 -9.512 1.00 0.00 O ATOM 115 NE2 GLN A 10 -5.058 -11.737 -8.349 1.00 0.00 N ATOM 0 H GLN A 10 -5.312 -12.088 -4.257 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.579 -12.312 -6.059 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.591 -15.178 -5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.544 -14.560 -7.238 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.036 -13.100 -6.452 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.895 -14.609 -7.332 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.051 -11.278 -7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.243 -11.194 -9.193 1.00 0.00 H new ATOM 124 N GLN A 11 -8.294 -13.355 -3.918 1.00 0.00 N ATOM 125 CA GLN A 11 -9.605 -13.745 -3.411 1.00 0.00 C ATOM 126 C GLN A 11 -10.624 -12.623 -3.606 1.00 0.00 C ATOM 127 O GLN A 11 -11.731 -12.681 -3.066 1.00 0.00 O ATOM 128 CB GLN A 11 -9.505 -14.137 -1.930 1.00 0.00 C ATOM 129 CG GLN A 11 -9.608 -12.969 -0.956 1.00 0.00 C ATOM 130 CD GLN A 11 -10.875 -13.011 -0.123 1.00 0.00 C ATOM 131 OE1 GLN A 11 -11.297 -14.069 0.337 1.00 0.00 O ATOM 132 NE2 GLN A 11 -11.501 -11.861 0.061 1.00 0.00 N ATOM 0 H GLN A 11 -7.739 -12.796 -3.269 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.949 -14.610 -3.978 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.295 -14.853 -1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.556 -14.647 -1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.742 -12.976 -0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.575 -12.033 -1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.119 -11.003 -0.337 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.366 -11.832 0.601 1.00 0.00 H new ATOM 141 N ASN A 12 -10.228 -11.611 -4.387 1.00 0.00 N ATOM 142 CA ASN A 12 -11.072 -10.446 -4.684 1.00 0.00 C ATOM 143 C ASN A 12 -11.141 -9.493 -3.490 1.00 0.00 C ATOM 144 O ASN A 12 -11.311 -9.912 -2.344 1.00 0.00 O ATOM 145 CB ASN A 12 -12.485 -10.873 -5.120 1.00 0.00 C ATOM 146 CG ASN A 12 -13.500 -9.744 -5.044 1.00 0.00 C ATOM 147 OD1 ASN A 12 -13.505 -8.837 -5.875 1.00 0.00 O ATOM 148 ND2 ASN A 12 -14.370 -9.790 -4.048 1.00 0.00 N ATOM 0 H ASN A 12 -9.311 -11.576 -4.832 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.610 -9.914 -5.516 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.445 -11.249 -6.142 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.820 -11.697 -4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.074 -9.058 -3.951 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.337 -10.557 -3.377 1.00 0.00 H new ATOM 155 N ILE A 13 -11.010 -8.206 -3.774 1.00 0.00 N ATOM 156 CA ILE A 13 -11.084 -7.177 -2.748 1.00 0.00 C ATOM 157 C ILE A 13 -12.520 -6.705 -2.583 1.00 0.00 C ATOM 158 O ILE A 13 -13.041 -5.957 -3.412 1.00 0.00 O ATOM 159 CB ILE A 13 -10.191 -5.967 -3.081 1.00 0.00 C ATOM 160 CG1 ILE A 13 -8.859 -6.430 -3.670 1.00 0.00 C ATOM 161 CG2 ILE A 13 -9.957 -5.111 -1.844 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.295 -5.479 -4.697 1.00 0.00 C ATOM 0 H ILE A 13 -10.850 -7.847 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.726 -7.621 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.706 -5.359 -3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.136 -6.552 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.994 -7.410 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.324 -4.262 -2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.913 -4.748 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.466 -5.708 -1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.349 -5.869 -5.074 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.999 -5.375 -5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.128 -4.505 -4.238 1.00 0.00 H new ATOM 174 N GLY A 14 -13.167 -7.182 -1.533 1.00 0.00 N ATOM 175 CA GLY A 14 -14.546 -6.826 -1.283 1.00 0.00 C ATOM 176 C GLY A 14 -14.674 -5.834 -0.150 1.00 0.00 C ATOM 177 O GLY A 14 -15.774 -5.559 0.325 1.00 0.00 O ATOM 0 H GLY A 14 -12.758 -7.814 -0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.982 -6.402 -2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.116 -7.724 -1.045 1.00 0.00 H new ATOM 181 N ASP A 15 -13.541 -5.310 0.290 1.00 0.00 N ATOM 182 CA ASP A 15 -13.518 -4.337 1.373 1.00 0.00 C ATOM 183 C ASP A 15 -13.837 -2.945 0.847 1.00 0.00 C ATOM 184 O ASP A 15 -14.060 -2.760 -0.352 1.00 0.00 O ATOM 185 CB ASP A 15 -12.156 -4.324 2.069 1.00 0.00 C ATOM 186 CG ASP A 15 -11.929 -5.549 2.931 1.00 0.00 C ATOM 187 OD1 ASP A 15 -12.742 -5.799 3.844 1.00 0.00 O ATOM 188 OD2 ASP A 15 -10.936 -6.270 2.700 1.00 0.00 O ATOM 0 H ASP A 15 -12.622 -5.542 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.278 -4.628 2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.369 -4.263 1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.077 -3.430 2.687 1.00 0.00 H new ATOM 193 N ARG A 16 -13.837 -1.967 1.735 1.00 0.00 N ATOM 194 CA ARG A 16 -14.128 -0.594 1.349 1.00 0.00 C ATOM 195 C ARG A 16 -12.836 0.190 1.164 1.00 0.00 C ATOM 196 O ARG A 16 -12.808 1.211 0.479 1.00 0.00 O ATOM 197 CB ARG A 16 -15.039 0.080 2.390 1.00 0.00 C ATOM 198 CG ARG A 16 -14.318 1.004 3.363 1.00 0.00 C ATOM 199 CD ARG A 16 -14.219 0.390 4.748 1.00 0.00 C ATOM 200 NE ARG A 16 -14.833 1.229 5.773 1.00 0.00 N ATOM 201 CZ ARG A 16 -15.468 0.755 6.843 1.00 0.00 C ATOM 202 NH1 ARG A 16 -15.589 -0.556 7.026 1.00 0.00 N ATOM 203 NH2 ARG A 16 -15.990 1.597 7.725 1.00 0.00 N ATOM 0 H ARG A 16 -13.639 -2.096 2.727 1.00 0.00 H new ATOM 0 HA ARG A 16 -14.658 -0.605 0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -15.805 0.652 1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -15.553 -0.695 2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.318 1.219 2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.848 1.955 3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.702 -0.587 4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.170 0.227 4.996 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.772 2.241 5.663 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.194 -1.205 6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -16.076 -0.913 7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.904 2.603 7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.477 1.238 8.546 1.00 0.00 H new ATOM 217 N TYR A 17 -11.762 -0.302 1.762 1.00 0.00 N ATOM 218 CA TYR A 17 -10.472 0.353 1.656 1.00 0.00 C ATOM 219 C TYR A 17 -9.416 -0.666 1.257 1.00 0.00 C ATOM 220 O TYR A 17 -9.466 -1.818 1.696 1.00 0.00 O ATOM 221 CB TYR A 17 -10.106 1.010 2.985 1.00 0.00 C ATOM 222 CG TYR A 17 -9.519 2.393 2.830 1.00 0.00 C ATOM 223 CD1 TYR A 17 -10.286 3.425 2.311 1.00 0.00 C ATOM 224 CD2 TYR A 17 -8.213 2.669 3.206 1.00 0.00 C ATOM 225 CE1 TYR A 17 -9.770 4.697 2.169 1.00 0.00 C ATOM 226 CE2 TYR A 17 -7.687 3.940 3.066 1.00 0.00 C ATOM 227 CZ TYR A 17 -8.470 4.950 2.548 1.00 0.00 C ATOM 228 OH TYR A 17 -7.950 6.219 2.411 1.00 0.00 O ATOM 0 H TYR A 17 -11.760 -1.152 2.325 1.00 0.00 H new ATOM 0 HA TYR A 17 -10.522 1.129 0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.997 1.070 3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.391 0.377 3.510 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -11.305 3.230 2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.598 1.880 3.614 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.382 5.489 1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.668 4.141 3.361 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.022 6.228 2.725 1.00 0.00 H new ATOM 238 N PHE A 18 -8.511 -0.274 0.374 1.00 0.00 N ATOM 239 CA PHE A 18 -7.507 -1.201 -0.128 1.00 0.00 C ATOM 240 C PHE A 18 -6.247 -0.476 -0.590 1.00 0.00 C ATOM 241 O PHE A 18 -6.132 0.740 -0.454 1.00 0.00 O ATOM 242 CB PHE A 18 -8.092 -2.053 -1.266 1.00 0.00 C ATOM 243 CG PHE A 18 -8.250 -1.341 -2.588 1.00 0.00 C ATOM 244 CD1 PHE A 18 -9.039 -0.205 -2.705 1.00 0.00 C ATOM 245 CD2 PHE A 18 -7.620 -1.831 -3.723 1.00 0.00 C ATOM 246 CE1 PHE A 18 -9.190 0.427 -3.923 1.00 0.00 C ATOM 247 CE2 PHE A 18 -7.773 -1.203 -4.943 1.00 0.00 C ATOM 248 CZ PHE A 18 -8.557 -0.071 -5.042 1.00 0.00 C ATOM 0 H PHE A 18 -8.450 0.670 -0.007 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.220 -1.857 0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -7.451 -2.922 -1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.067 -2.426 -0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.540 0.189 -1.833 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.003 -2.714 -3.651 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.804 1.312 -3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.280 -1.597 -5.819 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.674 0.424 -5.995 1.00 0.00 H new ATOM 258 N LEU A 19 -5.311 -1.237 -1.137 1.00 0.00 N ATOM 259 CA LEU A 19 -4.059 -0.699 -1.642 1.00 0.00 C ATOM 260 C LEU A 19 -3.894 -1.087 -3.103 1.00 0.00 C ATOM 261 O LEU A 19 -4.140 -2.227 -3.457 1.00 0.00 O ATOM 262 CB LEU A 19 -2.886 -1.273 -0.840 1.00 0.00 C ATOM 263 CG LEU A 19 -2.446 -0.457 0.375 1.00 0.00 C ATOM 264 CD1 LEU A 19 -1.850 -1.367 1.437 1.00 0.00 C ATOM 265 CD2 LEU A 19 -1.443 0.610 -0.037 1.00 0.00 C ATOM 0 H LEU A 19 -5.400 -2.248 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.072 0.387 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.157 -2.274 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.032 -1.382 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.321 0.037 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.542 -0.771 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.596 -2.097 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.984 -1.887 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.140 1.182 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.568 0.135 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.902 1.278 -0.766 1.00 0.00 H new ATOM 277 N LYS A 20 -3.474 -0.164 -3.950 1.00 0.00 N ATOM 278 CA LYS A 20 -3.226 -0.498 -5.349 1.00 0.00 C ATOM 279 C LYS A 20 -2.346 0.570 -5.992 1.00 0.00 C ATOM 280 O LYS A 20 -2.478 1.746 -5.653 1.00 0.00 O ATOM 281 CB LYS A 20 -4.558 -0.665 -6.107 1.00 0.00 C ATOM 282 CG LYS A 20 -4.626 0.022 -7.463 1.00 0.00 C ATOM 283 CD LYS A 20 -5.738 1.058 -7.514 1.00 0.00 C ATOM 284 CE LYS A 20 -6.163 1.344 -8.944 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.557 1.851 -9.020 1.00 0.00 N ATOM 0 H LYS A 20 -3.298 0.810 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.696 -1.449 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.746 -1.729 -6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.363 -0.279 -5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.671 0.503 -7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.788 -0.724 -8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.595 0.703 -6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.400 1.980 -7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.486 2.077 -9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.076 0.434 -9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.806 2.033 -10.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.206 1.142 -8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.635 2.734 -8.476 1.00 0.00 H new ATOM 299 N ALA A 21 -1.495 0.162 -6.948 1.00 0.00 N ATOM 300 CA ALA A 21 -0.627 1.101 -7.678 1.00 0.00 C ATOM 301 C ALA A 21 0.411 0.363 -8.510 1.00 0.00 C ATOM 302 O ALA A 21 0.873 0.873 -9.530 1.00 0.00 O ATOM 303 CB ALA A 21 0.094 2.061 -6.739 1.00 0.00 C ATOM 0 H ALA A 21 -1.390 -0.812 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.284 1.673 -8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.723 2.735 -7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.639 2.641 -6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.715 1.494 -6.045 1.00 0.00 H new ATOM 309 N ILE A 22 0.875 -0.770 -7.987 1.00 0.00 N ATOM 310 CA ILE A 22 1.963 -1.529 -8.600 1.00 0.00 C ATOM 311 C ILE A 22 1.670 -1.849 -10.064 1.00 0.00 C ATOM 312 O ILE A 22 2.535 -1.700 -10.927 1.00 0.00 O ATOM 313 CB ILE A 22 2.207 -2.846 -7.826 1.00 0.00 C ATOM 314 CG1 ILE A 22 2.770 -2.533 -6.436 1.00 0.00 C ATOM 315 CG2 ILE A 22 3.142 -3.769 -8.599 1.00 0.00 C ATOM 316 CD1 ILE A 22 3.175 -3.756 -5.642 1.00 0.00 C ATOM 0 H ILE A 22 0.510 -1.186 -7.131 1.00 0.00 H new ATOM 0 HA ILE A 22 2.857 -0.907 -8.555 1.00 0.00 H new ATOM 0 HB ILE A 22 1.256 -3.366 -7.710 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.637 -1.881 -6.546 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.022 -1.977 -5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.297 -4.687 -8.033 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.699 -4.009 -9.566 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.100 -3.271 -8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.563 -3.447 -4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.308 -4.400 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.947 -4.303 -6.184 1.00 0.00 H new ATOM 328 N ASP A 23 0.428 -2.243 -10.312 1.00 0.00 N ATOM 329 CA ASP A 23 -0.068 -2.621 -11.638 1.00 0.00 C ATOM 330 C ASP A 23 -1.302 -3.473 -11.434 1.00 0.00 C ATOM 331 O ASP A 23 -2.146 -3.622 -12.318 1.00 0.00 O ATOM 332 CB ASP A 23 0.965 -3.422 -12.438 1.00 0.00 C ATOM 333 CG ASP A 23 0.521 -3.678 -13.864 1.00 0.00 C ATOM 334 OD1 ASP A 23 0.165 -2.711 -14.567 1.00 0.00 O ATOM 335 OD2 ASP A 23 0.537 -4.851 -14.292 1.00 0.00 O ATOM 0 H ASP A 23 -0.282 -2.312 -9.583 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.284 -1.715 -12.205 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.912 -2.882 -12.447 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.146 -4.375 -11.940 1.00 0.00 H new ATOM 340 N GLN A 24 -1.442 -3.927 -10.199 1.00 0.00 N ATOM 341 CA GLN A 24 -2.597 -4.685 -9.779 1.00 0.00 C ATOM 342 C GLN A 24 -3.293 -3.953 -8.665 1.00 0.00 C ATOM 343 O GLN A 24 -2.704 -3.067 -8.036 1.00 0.00 O ATOM 344 CB GLN A 24 -2.183 -6.066 -9.269 1.00 0.00 C ATOM 345 CG GLN A 24 -2.059 -7.111 -10.355 1.00 0.00 C ATOM 346 CD GLN A 24 -0.623 -7.552 -10.563 1.00 0.00 C ATOM 347 OE1 GLN A 24 0.289 -6.590 -10.589 1.00 0.00 O flip ATOM 348 NE2 GLN A 24 -0.337 -8.742 -10.692 1.00 0.00 N flip ATOM 0 H GLN A 24 -0.753 -3.777 -9.462 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.261 -4.804 -10.635 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.228 -5.979 -8.752 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.914 -6.405 -8.535 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.669 -7.976 -10.096 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.453 -6.711 -11.289 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.072 -9.449 -10.665 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.635 -9.021 -10.825 1.00 0.00 H new ATOM 357 N TYR A 25 -4.416 -4.491 -8.265 1.00 0.00 N ATOM 358 CA TYR A 25 -5.044 -4.058 -7.042 1.00 0.00 C ATOM 359 C TYR A 25 -4.621 -5.013 -5.944 1.00 0.00 C ATOM 360 O TYR A 25 -4.163 -6.119 -6.233 1.00 0.00 O ATOM 361 CB TYR A 25 -6.566 -4.013 -7.187 1.00 0.00 C ATOM 362 CG TYR A 25 -7.036 -3.557 -8.549 1.00 0.00 C ATOM 363 CD1 TYR A 25 -6.702 -2.299 -9.043 1.00 0.00 C ATOM 364 CD2 TYR A 25 -7.811 -4.390 -9.347 1.00 0.00 C ATOM 365 CE1 TYR A 25 -7.129 -1.888 -10.291 1.00 0.00 C ATOM 366 CE2 TYR A 25 -8.240 -3.984 -10.597 1.00 0.00 C ATOM 367 CZ TYR A 25 -7.895 -2.733 -11.064 1.00 0.00 C ATOM 368 OH TYR A 25 -8.322 -2.328 -12.307 1.00 0.00 O ATOM 0 H TYR A 25 -4.914 -5.227 -8.766 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.729 -3.044 -6.796 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.970 -5.005 -6.987 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.974 -3.344 -6.429 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.100 -1.634 -8.441 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.083 -5.371 -8.985 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.863 -0.908 -10.659 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.842 -4.643 -11.205 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.850 -3.043 -12.720 1.00 0.00 H new ATOM 378 N TRP A 26 -4.578 -4.528 -4.723 1.00 0.00 N ATOM 379 CA TRP A 26 -4.048 -5.313 -3.625 1.00 0.00 C ATOM 380 C TRP A 26 -4.953 -5.225 -2.413 1.00 0.00 C ATOM 381 O TRP A 26 -6.033 -4.633 -2.457 1.00 0.00 O ATOM 382 CB TRP A 26 -2.646 -4.832 -3.235 1.00 0.00 C ATOM 383 CG TRP A 26 -1.654 -4.864 -4.353 1.00 0.00 C ATOM 384 CD1 TRP A 26 -1.334 -3.839 -5.195 1.00 0.00 C ATOM 385 CD2 TRP A 26 -0.842 -5.973 -4.741 1.00 0.00 C ATOM 386 NE1 TRP A 26 -0.373 -4.246 -6.085 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.056 -5.554 -5.829 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.702 -7.280 -4.269 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.851 -6.402 -6.462 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.200 -8.119 -4.896 1.00 0.00 C ATOM 391 CH2 TRP A 26 0.968 -7.676 -5.980 1.00 0.00 C ATOM 0 H TRP A 26 -4.902 -3.596 -4.463 1.00 0.00 H new ATOM 0 HA TRP A 26 -3.994 -6.348 -3.962 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.716 -3.813 -2.856 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.276 -5.451 -2.418 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.773 -2.853 -5.165 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.039 -3.669 -6.818 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -1.287 -7.628 -3.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.440 -6.065 -7.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.314 -9.134 -4.544 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.667 -8.355 -6.445 1.00 0.00 H new ATOM 402 N HIS A 27 -4.438 -5.707 -1.306 1.00 0.00 N ATOM 403 CA HIS A 27 -5.126 -5.627 -0.035 1.00 0.00 C ATOM 404 C HIS A 27 -4.252 -4.880 0.956 1.00 0.00 C ATOM 405 O HIS A 27 -3.026 -4.883 0.829 1.00 0.00 O ATOM 406 CB HIS A 27 -5.421 -7.025 0.507 1.00 0.00 C ATOM 407 CG HIS A 27 -6.790 -7.533 0.197 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.982 -8.761 -0.374 1.00 0.00 N ATOM 409 CD2 HIS A 27 -7.998 -6.958 0.414 1.00 0.00 C ATOM 410 CE1 HIS A 27 -8.283 -8.918 -0.496 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.949 -7.847 -0.030 1.00 0.00 N ATOM 0 H HIS A 27 -3.529 -6.167 -1.259 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.070 -5.101 -0.177 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.688 -7.721 0.099 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.286 -7.017 1.589 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.179 -5.987 0.852 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.755 -9.794 -0.916 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.961 -7.719 -0.010 1.00 0.00 H new ATOM 419 N GLU A 28 -4.877 -4.301 1.965 1.00 0.00 N ATOM 420 CA GLU A 28 -4.167 -3.587 3.007 1.00 0.00 C ATOM 421 C GLU A 28 -3.236 -4.522 3.780 1.00 0.00 C ATOM 422 O GLU A 28 -2.189 -4.097 4.274 1.00 0.00 O ATOM 423 CB GLU A 28 -5.174 -2.962 3.960 1.00 0.00 C ATOM 424 CG GLU A 28 -5.492 -1.509 3.657 1.00 0.00 C ATOM 425 CD GLU A 28 -6.547 -0.948 4.584 1.00 0.00 C ATOM 426 OE1 GLU A 28 -7.173 -1.733 5.327 1.00 0.00 O ATOM 427 OE2 GLU A 28 -6.755 0.281 4.576 1.00 0.00 O ATOM 0 H GLU A 28 -5.890 -4.313 2.084 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.558 -2.810 2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.098 -3.540 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.789 -3.034 4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.582 -0.915 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.834 -1.421 2.626 1.00 0.00 H new ATOM 434 N ASP A 29 -3.673 -5.765 3.966 1.00 0.00 N ATOM 435 CA ASP A 29 -2.934 -6.723 4.787 1.00 0.00 C ATOM 436 C ASP A 29 -2.238 -7.783 3.936 1.00 0.00 C ATOM 437 O ASP A 29 -1.406 -8.550 4.424 1.00 0.00 O ATOM 438 CB ASP A 29 -3.882 -7.389 5.791 1.00 0.00 C ATOM 439 CG ASP A 29 -3.178 -8.357 6.719 1.00 0.00 C ATOM 440 OD1 ASP A 29 -2.517 -7.902 7.675 1.00 0.00 O ATOM 441 OD2 ASP A 29 -3.284 -9.584 6.503 1.00 0.00 O ATOM 0 H ASP A 29 -4.534 -6.133 3.560 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.160 -6.175 5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.373 -6.618 6.384 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.664 -7.919 5.247 1.00 0.00 H new ATOM 446 N CYS A 30 -2.529 -7.776 2.650 1.00 0.00 N ATOM 447 CA CYS A 30 -1.899 -8.714 1.730 1.00 0.00 C ATOM 448 C CYS A 30 -0.542 -8.198 1.279 1.00 0.00 C ATOM 449 O CYS A 30 0.456 -8.917 1.336 1.00 0.00 O ATOM 450 CB CYS A 30 -2.791 -8.968 0.521 1.00 0.00 C ATOM 451 SG CYS A 30 -4.019 -10.291 0.771 1.00 0.00 S ATOM 0 H CYS A 30 -3.194 -7.136 2.216 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.755 -9.656 2.259 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.313 -8.045 0.267 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.164 -9.225 -0.333 1.00 0.00 H new ATOM 456 N LEU A 31 -0.508 -6.947 0.846 1.00 0.00 N ATOM 457 CA LEU A 31 0.740 -6.330 0.421 1.00 0.00 C ATOM 458 C LEU A 31 1.719 -6.275 1.589 1.00 0.00 C ATOM 459 O LEU A 31 1.472 -5.605 2.590 1.00 0.00 O ATOM 460 CB LEU A 31 0.489 -4.921 -0.130 1.00 0.00 C ATOM 461 CG LEU A 31 1.413 -4.498 -1.277 1.00 0.00 C ATOM 462 CD1 LEU A 31 0.722 -3.489 -2.180 1.00 0.00 C ATOM 463 CD2 LEU A 31 2.713 -3.922 -0.734 1.00 0.00 C ATOM 0 H LEU A 31 -1.326 -6.341 0.780 1.00 0.00 H new ATOM 0 HA LEU A 31 1.172 -6.935 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.543 -4.861 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.595 -4.205 0.685 1.00 0.00 H new ATOM 0 HG LEU A 31 1.648 -5.383 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.396 -3.202 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.180 -3.935 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.454 -2.606 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.355 -3.628 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.495 -3.050 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.221 -4.675 -0.131 1.00 0.00 H new ATOM 475 N SER A 32 2.800 -7.023 1.475 1.00 0.00 N ATOM 476 CA SER A 32 3.812 -7.069 2.512 1.00 0.00 C ATOM 477 C SER A 32 5.181 -6.793 1.903 1.00 0.00 C ATOM 478 O SER A 32 5.302 -6.679 0.683 1.00 0.00 O ATOM 479 CB SER A 32 3.794 -8.436 3.201 1.00 0.00 C ATOM 480 OG SER A 32 2.903 -9.331 2.551 1.00 0.00 O ATOM 0 H SER A 32 3.000 -7.612 0.667 1.00 0.00 H new ATOM 0 HA SER A 32 3.600 -6.305 3.260 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.799 -8.858 3.203 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.497 -8.316 4.243 1.00 0.00 H new ATOM 0 HG SER A 32 2.914 -10.196 3.012 1.00 0.00 H new ATOM 486 N CYS A 33 6.200 -6.665 2.740 1.00 0.00 N ATOM 487 CA CYS A 33 7.536 -6.370 2.252 1.00 0.00 C ATOM 488 C CYS A 33 8.140 -7.557 1.515 1.00 0.00 C ATOM 489 O CYS A 33 7.724 -8.706 1.692 1.00 0.00 O ATOM 490 CB CYS A 33 8.456 -5.974 3.400 1.00 0.00 C ATOM 491 SG CYS A 33 10.049 -5.267 2.859 1.00 0.00 S ATOM 0 H CYS A 33 6.127 -6.760 3.753 1.00 0.00 H new ATOM 0 HA CYS A 33 7.443 -5.537 1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.943 -5.248 4.030 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.650 -6.851 4.017 1.00 0.00 H new ATOM 496 N ASP A 34 9.185 -7.259 0.768 1.00 0.00 N ATOM 497 CA ASP A 34 9.950 -8.256 0.045 1.00 0.00 C ATOM 498 C ASP A 34 11.276 -8.486 0.741 1.00 0.00 C ATOM 499 O ASP A 34 11.839 -9.580 0.705 1.00 0.00 O ATOM 500 CB ASP A 34 10.206 -7.776 -1.378 1.00 0.00 C ATOM 501 CG ASP A 34 10.386 -8.915 -2.357 1.00 0.00 C ATOM 502 OD1 ASP A 34 9.369 -9.443 -2.862 1.00 0.00 O ATOM 503 OD2 ASP A 34 11.545 -9.288 -2.631 1.00 0.00 O ATOM 0 H ASP A 34 9.531 -6.307 0.645 1.00 0.00 H new ATOM 0 HA ASP A 34 9.385 -9.188 0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.372 -7.153 -1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.097 -7.148 -1.390 1.00 0.00 H new ATOM 508 N LEU A 35 11.780 -7.428 1.359 1.00 0.00 N ATOM 509 CA LEU A 35 13.057 -7.485 2.056 1.00 0.00 C ATOM 510 C LEU A 35 12.869 -7.932 3.502 1.00 0.00 C ATOM 511 O LEU A 35 13.329 -9.007 3.881 1.00 0.00 O ATOM 512 CB LEU A 35 13.757 -6.127 2.013 1.00 0.00 C ATOM 513 CG LEU A 35 15.202 -6.136 2.506 1.00 0.00 C ATOM 514 CD1 LEU A 35 16.036 -7.120 1.706 1.00 0.00 C ATOM 515 CD2 LEU A 35 15.805 -4.748 2.417 1.00 0.00 C ATOM 0 H LEU A 35 11.323 -6.517 1.392 1.00 0.00 H new ATOM 0 HA LEU A 35 13.683 -8.218 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.740 -5.757 0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.186 -5.421 2.616 1.00 0.00 H new ATOM 0 HG LEU A 35 15.201 -6.450 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 35 17.062 -7.110 2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 35 15.621 -8.122 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.025 -6.835 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.835 -4.775 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.788 -4.410 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.226 -4.060 3.033 1.00 0.00 H new ATOM 527 N CYS A 36 12.106 -7.158 4.275 1.00 0.00 N ATOM 528 CA CYS A 36 11.779 -7.548 5.640 1.00 0.00 C ATOM 529 C CYS A 36 10.915 -8.806 5.611 1.00 0.00 C ATOM 530 O CYS A 36 11.159 -9.769 6.340 1.00 0.00 O ATOM 531 CB CYS A 36 11.047 -6.422 6.384 1.00 0.00 C ATOM 532 SG CYS A 36 11.766 -4.755 6.180 1.00 0.00 S ATOM 0 H CYS A 36 11.708 -6.266 3.980 1.00 0.00 H new ATOM 0 HA CYS A 36 12.707 -7.749 6.175 1.00 0.00 H new ATOM 0 HB2 CYS A 36 10.012 -6.397 6.044 1.00 0.00 H new ATOM 0 HB3 CYS A 36 11.028 -6.664 7.447 1.00 0.00 H new ATOM 537 N GLY A 37 9.965 -8.818 4.684 1.00 0.00 N ATOM 538 CA GLY A 37 9.142 -9.991 4.470 1.00 0.00 C ATOM 539 C GLY A 37 7.956 -10.062 5.412 1.00 0.00 C ATOM 540 O GLY A 37 7.161 -10.998 5.346 1.00 0.00 O ATOM 0 H GLY A 37 9.750 -8.030 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.782 -9.993 3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.753 -10.885 4.596 1.00 0.00 H new ATOM 544 N CYS A 38 7.858 -9.102 6.316 1.00 0.00 N ATOM 545 CA CYS A 38 6.790 -9.102 7.303 1.00 0.00 C ATOM 546 C CYS A 38 5.525 -8.445 6.750 1.00 0.00 C ATOM 547 O CYS A 38 4.635 -9.130 6.242 1.00 0.00 O ATOM 548 CB CYS A 38 7.256 -8.393 8.576 1.00 0.00 C ATOM 549 SG CYS A 38 9.053 -8.248 8.719 1.00 0.00 S ATOM 0 H CYS A 38 8.502 -8.315 6.388 1.00 0.00 H new ATOM 0 HA CYS A 38 6.545 -10.136 7.544 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.817 -7.396 8.606 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.875 -8.935 9.442 1.00 0.00 H new ATOM 0 HG CYS A 38 9.352 -7.634 9.825 1.00 0.00 H new ATOM 555 N ARG A 39 5.458 -7.120 6.820 1.00 0.00 N ATOM 556 CA ARG A 39 4.289 -6.386 6.341 1.00 0.00 C ATOM 557 C ARG A 39 4.659 -4.938 6.029 1.00 0.00 C ATOM 558 O ARG A 39 5.801 -4.652 5.679 1.00 0.00 O ATOM 559 CB ARG A 39 3.174 -6.438 7.388 1.00 0.00 C ATOM 560 CG ARG A 39 1.968 -7.253 6.952 1.00 0.00 C ATOM 561 CD ARG A 39 1.161 -7.737 8.145 1.00 0.00 C ATOM 562 NE ARG A 39 0.073 -8.627 7.747 1.00 0.00 N ATOM 563 CZ ARG A 39 0.196 -9.946 7.594 1.00 0.00 C ATOM 564 NH1 ARG A 39 1.340 -10.555 7.881 1.00 0.00 N ATOM 565 NH2 ARG A 39 -0.840 -10.661 7.172 1.00 0.00 N ATOM 0 H ARG A 39 6.198 -6.531 7.203 1.00 0.00 H new ATOM 0 HA ARG A 39 3.932 -6.854 5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.573 -6.860 8.311 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.852 -5.422 7.615 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.334 -6.648 6.304 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.299 -8.109 6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.819 -8.258 8.840 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.751 -6.879 8.677 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.842 -8.211 7.575 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.134 -10.014 8.222 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.425 -11.564 7.761 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.727 -10.201 6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.749 -11.670 7.054 1.00 0.00 H new ATOM 579 N LEU A 40 3.708 -4.026 6.201 1.00 0.00 N ATOM 580 CA LEU A 40 3.960 -2.607 5.997 1.00 0.00 C ATOM 581 C LEU A 40 3.705 -1.853 7.291 1.00 0.00 C ATOM 582 O LEU A 40 2.644 -1.252 7.479 1.00 0.00 O ATOM 583 CB LEU A 40 3.075 -2.036 4.883 1.00 0.00 C ATOM 584 CG LEU A 40 2.809 -2.967 3.700 1.00 0.00 C ATOM 585 CD1 LEU A 40 1.609 -2.474 2.908 1.00 0.00 C ATOM 586 CD2 LEU A 40 4.039 -3.070 2.807 1.00 0.00 C ATOM 0 H LEU A 40 2.753 -4.247 6.482 1.00 0.00 H new ATOM 0 HA LEU A 40 5.001 -2.487 5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.117 -1.749 5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.540 -1.125 4.506 1.00 0.00 H new ATOM 0 HG LEU A 40 2.588 -3.963 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.428 -3.144 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.730 -2.455 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.807 -1.469 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.827 -3.737 1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.296 -2.082 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.875 -3.465 3.384 1.00 0.00 H new ATOM 598 N GLY A 41 4.654 -1.938 8.208 1.00 0.00 N ATOM 599 CA GLY A 41 4.491 -1.313 9.503 1.00 0.00 C ATOM 600 C GLY A 41 5.351 -0.082 9.655 1.00 0.00 C ATOM 601 O GLY A 41 5.585 0.385 10.769 1.00 0.00 O ATOM 0 H GLY A 41 5.538 -2.430 8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.445 -1.043 9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.744 -2.029 10.285 1.00 0.00 H new ATOM 605 N GLU A 42 5.819 0.447 8.537 1.00 0.00 N ATOM 606 CA GLU A 42 6.661 1.631 8.553 1.00 0.00 C ATOM 607 C GLU A 42 5.853 2.866 8.142 1.00 0.00 C ATOM 608 O GLU A 42 4.622 2.850 8.213 1.00 0.00 O ATOM 609 CB GLU A 42 7.880 1.415 7.647 1.00 0.00 C ATOM 610 CG GLU A 42 7.612 1.572 6.157 1.00 0.00 C ATOM 611 CD GLU A 42 8.556 2.572 5.526 1.00 0.00 C ATOM 612 OE1 GLU A 42 9.186 3.342 6.282 1.00 0.00 O ATOM 613 OE2 GLU A 42 8.677 2.598 4.282 1.00 0.00 O ATOM 0 H GLU A 42 5.630 0.075 7.606 1.00 0.00 H new ATOM 0 HA GLU A 42 7.025 1.805 9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.658 2.121 7.937 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.274 0.415 7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.720 0.606 5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.582 1.895 6.004 1.00 0.00 H new ATOM 620 N VAL A 43 6.534 3.914 7.682 1.00 0.00 N ATOM 621 CA VAL A 43 5.860 5.112 7.198 1.00 0.00 C ATOM 622 C VAL A 43 5.065 4.788 5.940 1.00 0.00 C ATOM 623 O VAL A 43 5.638 4.500 4.889 1.00 0.00 O ATOM 624 CB VAL A 43 6.859 6.247 6.890 1.00 0.00 C ATOM 625 CG1 VAL A 43 6.125 7.564 6.686 1.00 0.00 C ATOM 626 CG2 VAL A 43 7.892 6.373 8.002 1.00 0.00 C ATOM 0 H VAL A 43 7.552 3.955 7.635 1.00 0.00 H new ATOM 0 HA VAL A 43 5.190 5.453 7.988 1.00 0.00 H new ATOM 0 HB VAL A 43 7.383 6.000 5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.846 8.353 6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.431 7.468 5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.572 7.816 7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.586 7.179 7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.388 6.594 8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.442 5.437 8.096 1.00 0.00 H new ATOM 636 N GLY A 44 3.753 4.718 6.080 1.00 0.00 N ATOM 637 CA GLY A 44 2.920 4.290 4.983 1.00 0.00 C ATOM 638 C GLY A 44 2.036 5.390 4.441 1.00 0.00 C ATOM 639 O GLY A 44 0.811 5.296 4.522 1.00 0.00 O ATOM 0 H GLY A 44 3.250 4.951 6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.553 3.913 4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.295 3.460 5.312 1.00 0.00 H new ATOM 643 N ARG A 45 2.642 6.363 3.777 1.00 0.00 N ATOM 644 CA ARG A 45 1.881 7.392 3.078 1.00 0.00 C ATOM 645 C ARG A 45 2.155 7.296 1.581 1.00 0.00 C ATOM 646 O ARG A 45 1.235 7.335 0.765 1.00 0.00 O ATOM 647 CB ARG A 45 2.208 8.798 3.603 1.00 0.00 C ATOM 648 CG ARG A 45 3.668 9.012 3.969 1.00 0.00 C ATOM 649 CD ARG A 45 4.112 10.440 3.690 1.00 0.00 C ATOM 650 NE ARG A 45 3.102 11.423 4.087 1.00 0.00 N ATOM 651 CZ ARG A 45 3.316 12.408 4.959 1.00 0.00 C ATOM 652 NH1 ARG A 45 4.499 12.546 5.544 1.00 0.00 N ATOM 653 NH2 ARG A 45 2.335 13.253 5.247 1.00 0.00 N ATOM 0 H ARG A 45 3.655 6.463 3.707 1.00 0.00 H new ATOM 0 HA ARG A 45 0.821 7.222 3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.926 9.529 2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.594 8.996 4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.816 8.784 5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.291 8.320 3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.041 10.640 4.224 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.326 10.551 2.627 1.00 0.00 H new ATOM 0 HE ARG A 45 2.174 11.349 3.669 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.254 11.895 5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.653 13.303 6.210 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.423 13.147 4.802 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.492 14.009 5.913 1.00 0.00 H new ATOM 667 N ARG A 46 3.409 7.027 1.243 1.00 0.00 N ATOM 668 CA ARG A 46 3.803 6.769 -0.129 1.00 0.00 C ATOM 669 C ARG A 46 4.769 5.588 -0.162 1.00 0.00 C ATOM 670 O ARG A 46 5.932 5.716 0.216 1.00 0.00 O ATOM 671 CB ARG A 46 4.441 8.018 -0.748 1.00 0.00 C ATOM 672 CG ARG A 46 5.492 8.689 0.131 1.00 0.00 C ATOM 673 CD ARG A 46 5.674 10.157 -0.224 1.00 0.00 C ATOM 674 NE ARG A 46 5.992 10.358 -1.640 1.00 0.00 N ATOM 675 CZ ARG A 46 5.271 11.119 -2.462 1.00 0.00 C ATOM 676 NH1 ARG A 46 4.211 11.774 -2.003 1.00 0.00 N ATOM 677 NH2 ARG A 46 5.625 11.250 -3.733 1.00 0.00 N ATOM 0 H ARG A 46 4.177 6.982 1.913 1.00 0.00 H new ATOM 0 HA ARG A 46 2.921 6.521 -0.719 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.900 7.744 -1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.656 8.740 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.200 8.602 1.177 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.443 8.168 0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.762 10.702 0.021 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.472 10.579 0.387 1.00 0.00 H new ATOM 0 HE ARG A 46 6.814 9.887 -2.019 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.948 11.695 -1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.659 12.357 -2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.452 10.767 -4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.070 11.834 -4.359 1.00 0.00 H new ATOM 691 N LEU A 47 4.250 4.411 -0.466 1.00 0.00 N ATOM 692 CA LEU A 47 5.053 3.196 -0.407 1.00 0.00 C ATOM 693 C LEU A 47 5.792 2.969 -1.718 1.00 0.00 C ATOM 694 O LEU A 47 5.178 2.673 -2.741 1.00 0.00 O ATOM 695 CB LEU A 47 4.177 1.986 -0.080 1.00 0.00 C ATOM 696 CG LEU A 47 4.809 0.981 0.888 1.00 0.00 C ATOM 697 CD1 LEU A 47 3.997 0.889 2.169 1.00 0.00 C ATOM 698 CD2 LEU A 47 4.933 -0.385 0.232 1.00 0.00 C ATOM 0 H LEU A 47 3.282 4.268 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 47 5.790 3.319 0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.238 2.339 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.932 1.471 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 47 5.809 1.331 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.462 0.170 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.962 1.867 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.983 0.564 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.384 -1.086 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.944 -0.743 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.560 -0.307 -0.656 1.00 0.00 H new ATOM 710 N TYR A 48 7.106 3.119 -1.680 1.00 0.00 N ATOM 711 CA TYR A 48 7.927 2.930 -2.866 1.00 0.00 C ATOM 712 C TYR A 48 8.286 1.470 -3.027 1.00 0.00 C ATOM 713 O TYR A 48 9.275 1.001 -2.465 1.00 0.00 O ATOM 714 CB TYR A 48 9.220 3.743 -2.794 1.00 0.00 C ATOM 715 CG TYR A 48 9.026 5.231 -2.683 1.00 0.00 C ATOM 716 CD1 TYR A 48 8.426 5.774 -1.559 1.00 0.00 C ATOM 717 CD2 TYR A 48 9.449 6.094 -3.692 1.00 0.00 C ATOM 718 CE1 TYR A 48 8.240 7.133 -1.433 1.00 0.00 C ATOM 719 CE2 TYR A 48 9.266 7.461 -3.570 1.00 0.00 C ATOM 720 CZ TYR A 48 8.658 7.973 -2.440 1.00 0.00 C ATOM 721 OH TYR A 48 8.464 9.331 -2.315 1.00 0.00 O ATOM 0 H TYR A 48 7.628 3.371 -0.841 1.00 0.00 H new ATOM 0 HA TYR A 48 7.342 3.273 -3.719 1.00 0.00 H new ATOM 0 HB2 TYR A 48 9.800 3.402 -1.936 1.00 0.00 H new ATOM 0 HB3 TYR A 48 9.814 3.534 -3.684 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.097 5.119 -0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.923 5.694 -4.576 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.769 7.537 -0.549 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.597 8.124 -4.355 1.00 0.00 H new ATOM 0 HH TYR A 48 8.815 9.786 -3.109 1.00 0.00 H new ATOM 731 N TYR A 49 7.540 0.779 -3.859 1.00 0.00 N ATOM 732 CA TYR A 49 7.866 -0.590 -4.187 1.00 0.00 C ATOM 733 C TYR A 49 8.875 -0.596 -5.327 1.00 0.00 C ATOM 734 O TYR A 49 8.873 0.302 -6.171 1.00 0.00 O ATOM 735 CB TYR A 49 6.602 -1.368 -4.570 1.00 0.00 C ATOM 736 CG TYR A 49 6.134 -1.109 -5.984 1.00 0.00 C ATOM 737 CD1 TYR A 49 5.476 0.069 -6.316 1.00 0.00 C ATOM 738 CD2 TYR A 49 6.363 -2.038 -6.990 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.061 0.312 -7.609 1.00 0.00 C ATOM 740 CE2 TYR A 49 5.951 -1.801 -8.284 1.00 0.00 C ATOM 741 CZ TYR A 49 5.301 -0.625 -8.589 1.00 0.00 C ATOM 742 OH TYR A 49 4.889 -0.388 -9.879 1.00 0.00 O ATOM 0 H TYR A 49 6.705 1.141 -4.320 1.00 0.00 H new ATOM 0 HA TYR A 49 8.303 -1.081 -3.317 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.792 -2.435 -4.449 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.801 -1.106 -3.878 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.286 0.806 -5.550 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.872 -2.961 -6.755 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.551 1.232 -7.851 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.137 -2.534 -9.055 1.00 0.00 H new ATOM 0 HH TYR A 49 4.172 -1.014 -10.114 1.00 0.00 H new ATOM 752 N LYS A 50 9.714 -1.610 -5.374 1.00 0.00 N ATOM 753 CA LYS A 50 10.675 -1.725 -6.457 1.00 0.00 C ATOM 754 C LYS A 50 10.060 -2.507 -7.614 1.00 0.00 C ATOM 755 O LYS A 50 9.084 -3.224 -7.415 1.00 0.00 O ATOM 756 CB LYS A 50 11.972 -2.389 -5.978 1.00 0.00 C ATOM 757 CG LYS A 50 13.221 -1.866 -6.682 1.00 0.00 C ATOM 758 CD LYS A 50 13.684 -0.531 -6.108 1.00 0.00 C ATOM 759 CE LYS A 50 13.375 0.626 -7.048 1.00 0.00 C ATOM 760 NZ LYS A 50 14.527 1.563 -7.196 1.00 0.00 N ATOM 0 H LYS A 50 9.752 -2.360 -4.684 1.00 0.00 H new ATOM 0 HA LYS A 50 10.928 -0.723 -6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.077 -2.231 -4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.900 -3.465 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 50 14.023 -2.598 -6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.016 -1.751 -7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.197 -0.360 -5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.757 -0.569 -5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.103 0.232 -8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.510 1.174 -6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.217 2.532 -6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.285 1.287 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.883 1.524 -8.172 1.00 0.00 H new ATOM 774 N LEU A 51 10.615 -2.292 -8.811 1.00 0.00 N ATOM 775 CA LEU A 51 10.150 -2.870 -10.086 1.00 0.00 C ATOM 776 C LEU A 51 9.290 -4.119 -9.921 1.00 0.00 C ATOM 777 O LEU A 51 8.136 -4.155 -10.359 1.00 0.00 O ATOM 778 CB LEU A 51 11.360 -3.204 -10.961 1.00 0.00 C ATOM 779 CG LEU A 51 12.717 -3.010 -10.278 1.00 0.00 C ATOM 780 CD1 LEU A 51 13.216 -4.320 -9.690 1.00 0.00 C ATOM 781 CD2 LEU A 51 13.728 -2.439 -11.254 1.00 0.00 C ATOM 0 H LEU A 51 11.430 -1.690 -8.928 1.00 0.00 H new ATOM 0 HA LEU A 51 9.517 -2.116 -10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.279 -4.240 -11.289 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.327 -2.582 -11.856 1.00 0.00 H new ATOM 0 HG LEU A 51 12.591 -2.299 -9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 51 14.181 -4.159 -9.210 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.500 -4.684 -8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.325 -5.058 -10.485 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.686 -2.308 -10.751 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.850 -3.123 -12.094 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.376 -1.475 -11.620 1.00 0.00 H new ATOM 793 N GLY A 52 9.861 -5.138 -9.302 1.00 0.00 N ATOM 794 CA GLY A 52 9.139 -6.378 -9.091 1.00 0.00 C ATOM 795 C GLY A 52 9.222 -6.851 -7.656 1.00 0.00 C ATOM 796 O GLY A 52 9.087 -8.041 -7.377 1.00 0.00 O ATOM 0 H GLY A 52 10.815 -5.131 -8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.093 -6.239 -9.366 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.542 -7.148 -9.749 1.00 0.00 H new ATOM 800 N ARG A 53 9.456 -5.913 -6.744 1.00 0.00 N ATOM 801 CA ARG A 53 9.570 -6.229 -5.326 1.00 0.00 C ATOM 802 C ARG A 53 8.850 -5.179 -4.491 1.00 0.00 C ATOM 803 O ARG A 53 9.315 -4.049 -4.372 1.00 0.00 O ATOM 804 CB ARG A 53 11.044 -6.299 -4.905 1.00 0.00 C ATOM 805 CG ARG A 53 11.938 -7.027 -5.894 1.00 0.00 C ATOM 806 CD ARG A 53 12.845 -8.026 -5.194 1.00 0.00 C ATOM 807 NE ARG A 53 13.193 -9.151 -6.062 1.00 0.00 N ATOM 808 CZ ARG A 53 12.781 -10.406 -5.869 1.00 0.00 C ATOM 809 NH1 ARG A 53 12.064 -10.720 -4.797 1.00 0.00 N ATOM 810 NH2 ARG A 53 13.103 -11.350 -6.742 1.00 0.00 N ATOM 0 H ARG A 53 9.571 -4.924 -6.964 1.00 0.00 H new ATOM 0 HA ARG A 53 9.108 -7.201 -5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.420 -5.285 -4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.111 -6.796 -3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.323 -7.546 -6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.544 -6.303 -6.439 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.756 -7.523 -4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.350 -8.399 -4.298 1.00 0.00 H new ATOM 0 HE ARG A 53 13.790 -8.964 -6.868 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.825 -10.000 -4.115 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.752 -11.681 -4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.665 -11.117 -7.561 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.789 -12.309 -6.595 1.00 0.00 H new ATOM 824 N LYS A 54 7.731 -5.559 -3.900 1.00 0.00 N ATOM 825 CA LYS A 54 6.971 -4.647 -3.056 1.00 0.00 C ATOM 826 C LYS A 54 7.528 -4.649 -1.635 1.00 0.00 C ATOM 827 O LYS A 54 7.536 -5.684 -0.974 1.00 0.00 O ATOM 828 CB LYS A 54 5.482 -5.027 -3.051 1.00 0.00 C ATOM 829 CG LYS A 54 5.215 -6.509 -2.818 1.00 0.00 C ATOM 830 CD LYS A 54 3.877 -6.942 -3.400 1.00 0.00 C ATOM 831 CE LYS A 54 3.975 -8.312 -4.054 1.00 0.00 C ATOM 832 NZ LYS A 54 3.280 -9.364 -3.264 1.00 0.00 N ATOM 0 H LYS A 54 7.327 -6.491 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 54 7.066 -3.641 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.975 -4.452 -2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.041 -4.736 -4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.014 -7.097 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.230 -6.717 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.126 -6.967 -2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.544 -6.209 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.544 -8.267 -5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.024 -8.582 -4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.373 -10.280 -3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.707 -9.427 -2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.273 -9.121 -3.173 1.00 0.00 H new ATOM 846 N LEU A 55 8.113 -3.529 -1.226 1.00 0.00 N ATOM 847 CA LEU A 55 8.768 -3.446 0.081 1.00 0.00 C ATOM 848 C LEU A 55 8.679 -2.029 0.663 1.00 0.00 C ATOM 849 O LEU A 55 8.203 -1.111 -0.009 1.00 0.00 O ATOM 850 CB LEU A 55 10.231 -3.898 -0.044 1.00 0.00 C ATOM 851 CG LEU A 55 11.222 -2.846 -0.548 1.00 0.00 C ATOM 852 CD1 LEU A 55 12.647 -3.321 -0.315 1.00 0.00 C ATOM 853 CD2 LEU A 55 10.988 -2.547 -2.024 1.00 0.00 C ATOM 0 H LEU A 55 8.149 -2.669 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 55 8.249 -4.111 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.567 -4.245 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.269 -4.755 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 55 11.065 -1.923 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.346 -2.567 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.807 -3.483 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.812 -4.255 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.703 -1.797 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.118 -3.460 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.975 -2.170 -2.163 1.00 0.00 H new ATOM 865 N CYS A 56 9.151 -1.856 1.906 1.00 0.00 N ATOM 866 CA CYS A 56 9.149 -0.547 2.558 1.00 0.00 C ATOM 867 C CYS A 56 10.094 0.406 1.842 1.00 0.00 C ATOM 868 O CYS A 56 11.101 -0.016 1.287 1.00 0.00 O ATOM 869 CB CYS A 56 9.577 -0.652 4.028 1.00 0.00 C ATOM 870 SG CYS A 56 9.076 -2.181 4.897 1.00 0.00 S ATOM 0 H CYS A 56 9.538 -2.608 2.476 1.00 0.00 H new ATOM 0 HA CYS A 56 8.129 -0.166 2.511 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.663 -0.568 4.077 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.166 0.201 4.568 1.00 0.00 H new ATOM 875 N ARG A 57 9.828 1.697 1.958 1.00 0.00 N ATOM 876 CA ARG A 57 10.667 2.710 1.329 1.00 0.00 C ATOM 877 C ARG A 57 12.002 2.841 2.054 1.00 0.00 C ATOM 878 O ARG A 57 12.988 3.267 1.469 1.00 0.00 O ATOM 879 CB ARG A 57 9.934 4.066 1.279 1.00 0.00 C ATOM 880 CG ARG A 57 10.842 5.293 1.377 1.00 0.00 C ATOM 881 CD ARG A 57 11.365 5.743 0.014 1.00 0.00 C ATOM 882 NE ARG A 57 11.617 7.186 -0.028 1.00 0.00 N ATOM 883 CZ ARG A 57 12.154 7.834 -1.069 1.00 0.00 C ATOM 884 NH1 ARG A 57 12.476 7.186 -2.184 1.00 0.00 N ATOM 885 NH2 ARG A 57 12.353 9.144 -0.994 1.00 0.00 N ATOM 0 H ARG A 57 9.037 2.071 2.482 1.00 0.00 H new ATOM 0 HA ARG A 57 10.872 2.394 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.370 4.123 0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.210 4.102 2.093 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.292 6.112 1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.685 5.066 2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.286 5.207 -0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.642 5.479 -0.757 1.00 0.00 H new ATOM 0 HE ARG A 57 11.366 7.735 0.794 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.315 6.181 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.884 7.693 -2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.097 9.651 -0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.762 9.644 -1.784 1.00 0.00 H new ATOM 899 N ARG A 58 12.027 2.524 3.337 1.00 0.00 N ATOM 900 CA ARG A 58 13.245 2.704 4.123 1.00 0.00 C ATOM 901 C ARG A 58 14.288 1.628 3.819 1.00 0.00 C ATOM 902 O ARG A 58 15.481 1.912 3.787 1.00 0.00 O ATOM 903 CB ARG A 58 12.925 2.734 5.620 1.00 0.00 C ATOM 904 CG ARG A 58 12.204 3.998 6.097 1.00 0.00 C ATOM 905 CD ARG A 58 12.260 5.141 5.089 1.00 0.00 C ATOM 906 NE ARG A 58 13.291 6.122 5.434 1.00 0.00 N ATOM 907 CZ ARG A 58 13.440 7.299 4.828 1.00 0.00 C ATOM 908 NH1 ARG A 58 12.624 7.652 3.845 1.00 0.00 N ATOM 909 NH2 ARG A 58 14.397 8.129 5.221 1.00 0.00 N ATOM 0 H ARG A 58 11.233 2.146 3.854 1.00 0.00 H new ATOM 0 HA ARG A 58 13.674 3.664 3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.310 1.868 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 58 13.855 2.631 6.178 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.162 3.757 6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.648 4.329 7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.459 4.740 4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.289 5.635 5.045 1.00 0.00 H new ATOM 0 HE ARG A 58 13.937 5.889 6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.878 7.022 3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.742 8.554 3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.018 7.866 5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.512 9.030 4.758 1.00 0.00 H new ATOM 923 N ASP A 59 13.851 0.405 3.561 1.00 0.00 N ATOM 924 CA ASP A 59 14.789 -0.670 3.222 1.00 0.00 C ATOM 925 C ASP A 59 14.964 -0.751 1.723 1.00 0.00 C ATOM 926 O ASP A 59 16.051 -1.059 1.233 1.00 0.00 O ATOM 927 CB ASP A 59 14.347 -2.028 3.787 1.00 0.00 C ATOM 928 CG ASP A 59 12.889 -2.070 4.206 1.00 0.00 C ATOM 929 OD1 ASP A 59 12.551 -1.411 5.220 1.00 0.00 O ATOM 930 OD2 ASP A 59 12.089 -2.741 3.508 1.00 0.00 O ATOM 0 H ASP A 59 12.869 0.128 3.577 1.00 0.00 H new ATOM 0 HA ASP A 59 15.746 -0.429 3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.522 -2.798 3.036 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.970 -2.274 4.647 1.00 0.00 H new ATOM 935 N TYR A 60 13.972 -0.256 1.013 1.00 0.00 N ATOM 936 CA TYR A 60 14.101 -0.052 -0.414 1.00 0.00 C ATOM 937 C TYR A 60 15.080 1.080 -0.658 1.00 0.00 C ATOM 938 O TYR A 60 15.716 1.144 -1.697 1.00 0.00 O ATOM 939 CB TYR A 60 12.722 0.239 -1.010 1.00 0.00 C ATOM 940 CG TYR A 60 12.616 1.413 -1.953 1.00 0.00 C ATOM 941 CD1 TYR A 60 12.642 2.726 -1.491 1.00 0.00 C ATOM 942 CD2 TYR A 60 12.412 1.194 -3.305 1.00 0.00 C ATOM 943 CE1 TYR A 60 12.467 3.778 -2.358 1.00 0.00 C ATOM 944 CE2 TYR A 60 12.250 2.246 -4.180 1.00 0.00 C ATOM 945 CZ TYR A 60 12.272 3.535 -3.702 1.00 0.00 C ATOM 946 OH TYR A 60 12.087 4.587 -4.564 1.00 0.00 O ATOM 0 H TYR A 60 13.068 0.012 1.401 1.00 0.00 H new ATOM 0 HA TYR A 60 14.488 -0.946 -0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.387 -0.653 -1.540 1.00 0.00 H new ATOM 0 HB3 TYR A 60 12.025 0.401 -0.188 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.801 2.920 -0.441 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.379 0.182 -3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 60 12.482 4.793 -1.988 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.107 2.059 -5.234 1.00 0.00 H new ATOM 0 HH TYR A 60 12.451 4.357 -5.444 1.00 0.00 H new ATOM 956 N LEU A 61 15.180 1.973 0.327 1.00 0.00 N ATOM 957 CA LEU A 61 16.010 3.156 0.234 1.00 0.00 C ATOM 958 C LEU A 61 17.471 2.847 -0.024 1.00 0.00 C ATOM 959 O LEU A 61 18.193 3.707 -0.512 1.00 0.00 O ATOM 960 CB LEU A 61 15.886 3.972 1.498 1.00 0.00 C ATOM 961 CG LEU A 61 16.101 5.456 1.300 1.00 0.00 C ATOM 962 CD1 LEU A 61 14.832 6.192 1.671 1.00 0.00 C ATOM 963 CD2 LEU A 61 17.305 5.935 2.099 1.00 0.00 C ATOM 0 H LEU A 61 14.682 1.888 1.213 1.00 0.00 H new ATOM 0 HA LEU A 61 15.647 3.720 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.895 3.813 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.609 3.605 2.227 1.00 0.00 H new ATOM 0 HG LEU A 61 16.322 5.665 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.978 7.263 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.015 5.851 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.587 5.992 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.443 7.005 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.139 5.741 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.197 5.402 1.768 1.00 0.00 H new ATOM 975 N ARG A 62 17.917 1.643 0.288 1.00 0.00 N ATOM 976 CA ARG A 62 19.296 1.283 -0.019 1.00 0.00 C ATOM 977 C ARG A 62 19.535 1.346 -1.531 1.00 0.00 C ATOM 978 O ARG A 62 20.637 1.646 -1.986 1.00 0.00 O ATOM 979 CB ARG A 62 19.622 -0.118 0.495 1.00 0.00 C ATOM 980 CG ARG A 62 20.723 -0.159 1.548 1.00 0.00 C ATOM 981 CD ARG A 62 21.895 0.760 1.213 1.00 0.00 C ATOM 982 NE ARG A 62 22.406 0.558 -0.148 1.00 0.00 N ATOM 983 CZ ARG A 62 23.178 -0.464 -0.525 1.00 0.00 C ATOM 984 NH1 ARG A 62 23.585 -1.371 0.358 1.00 0.00 N ATOM 985 NH2 ARG A 62 23.562 -0.565 -1.789 1.00 0.00 N ATOM 0 H ARG A 62 17.366 0.914 0.741 1.00 0.00 H new ATOM 0 HA ARG A 62 19.951 1.997 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 62 18.717 -0.558 0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 62 19.918 -0.742 -0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 62 20.307 0.128 2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 62 21.086 -1.182 1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 62 21.581 1.798 1.328 1.00 0.00 H new ATOM 0 HD3 ARG A 62 22.700 0.589 1.927 1.00 0.00 H new ATOM 0 HE ARG A 62 22.153 1.247 -0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 62 23.308 -1.291 1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 62 24.175 -2.147 0.057 1.00 0.00 H new ATOM 0 HH21 ARG A 62 23.268 0.136 -2.469 1.00 0.00 H new ATOM 0 HH22 ARG A 62 24.152 -1.344 -2.082 1.00 0.00 H new ATOM 999 N LEU A 63 18.482 1.087 -2.300 1.00 0.00 N ATOM 1000 CA LEU A 63 18.554 1.121 -3.756 1.00 0.00 C ATOM 1001 C LEU A 63 17.447 2.000 -4.336 1.00 0.00 C ATOM 1002 O LEU A 63 17.106 1.892 -5.516 1.00 0.00 O ATOM 1003 CB LEU A 63 18.461 -0.300 -4.328 1.00 0.00 C ATOM 1004 CG LEU A 63 17.186 -1.070 -3.975 1.00 0.00 C ATOM 1005 CD1 LEU A 63 16.821 -2.022 -5.100 1.00 0.00 C ATOM 1006 CD2 LEU A 63 17.362 -1.833 -2.670 1.00 0.00 C ATOM 0 H LEU A 63 17.560 0.849 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 63 19.514 1.551 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 63 18.541 -0.242 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 63 19.319 -0.872 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 63 16.375 -0.354 -3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.913 -2.564 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.654 -1.456 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 63 17.634 -2.731 -5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 63 16.444 -2.373 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 63 18.184 -2.541 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 63 17.584 -1.132 -1.866 1.00 0.00 H new ATOM 1018 N GLY A 64 16.769 2.728 -3.465 1.00 0.00 N ATOM 1019 CA GLY A 64 15.602 3.476 -3.883 1.00 0.00 C ATOM 1020 C GLY A 64 15.485 4.831 -3.215 1.00 0.00 C ATOM 1021 O GLY A 64 14.515 5.547 -3.427 1.00 0.00 O ATOM 0 H GLY A 64 17.005 2.815 -2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.636 3.614 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.708 2.893 -3.664 1.00 0.00 H new ATOM 1025 N GLY A 65 16.470 5.189 -2.414 1.00 0.00 N ATOM 1026 CA GLY A 65 16.449 6.477 -1.718 1.00 0.00 C ATOM 1027 C GLY A 65 16.676 7.673 -2.638 1.00 0.00 C ATOM 1028 O GLY A 65 17.287 8.656 -2.228 1.00 0.00 O ATOM 0 H GLY A 65 17.293 4.616 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.489 6.593 -1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 65 17.216 6.474 -0.944 1.00 0.00 H new ATOM 1032 N SER A 66 16.066 7.614 -3.823 1.00 0.00 N ATOM 1033 CA SER A 66 16.125 8.648 -4.870 1.00 0.00 C ATOM 1034 C SER A 66 17.386 9.531 -4.848 1.00 0.00 C ATOM 1035 O SER A 66 17.339 10.703 -5.222 1.00 0.00 O ATOM 1036 CB SER A 66 14.875 9.516 -4.755 1.00 0.00 C ATOM 1037 OG SER A 66 13.765 8.736 -4.324 1.00 0.00 O ATOM 0 H SER A 66 15.493 6.815 -4.095 1.00 0.00 H new ATOM 0 HA SER A 66 16.173 8.123 -5.824 1.00 0.00 H new ATOM 0 HB2 SER A 66 15.052 10.328 -4.050 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.653 9.974 -5.719 1.00 0.00 H new ATOM 0 HG SER A 66 13.692 7.934 -4.883 1.00 0.00 H new ATOM 1043 N GLY A 67 18.528 8.914 -4.584 1.00 0.00 N ATOM 1044 CA GLY A 67 19.799 9.594 -4.716 1.00 0.00 C ATOM 1045 C GLY A 67 20.865 8.651 -5.235 1.00 0.00 C ATOM 1046 O GLY A 67 20.628 7.934 -6.201 1.00 0.00 O ATOM 0 H GLY A 67 18.596 7.944 -4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.694 10.440 -5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.103 9.996 -3.750 1.00 0.00 H new ATOM 1050 N GLY A 68 21.931 8.491 -4.461 1.00 0.00 N ATOM 1051 CA GLY A 68 22.950 7.497 -4.767 1.00 0.00 C ATOM 1052 C GLY A 68 23.672 7.768 -6.068 1.00 0.00 C ATOM 1053 O GLY A 68 24.625 8.549 -6.105 1.00 0.00 O ATOM 0 H GLY A 68 22.112 9.036 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 68 23.676 7.468 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 68 22.486 6.512 -4.815 1.00 0.00 H new ATOM 1057 N HIS A 69 23.230 7.103 -7.127 1.00 0.00 N ATOM 1058 CA HIS A 69 23.841 7.236 -8.442 1.00 0.00 C ATOM 1059 C HIS A 69 23.756 8.676 -8.933 1.00 0.00 C ATOM 1060 O HIS A 69 24.734 9.229 -9.434 1.00 0.00 O ATOM 1061 CB HIS A 69 23.150 6.304 -9.441 1.00 0.00 C ATOM 1062 CG HIS A 69 24.080 5.346 -10.117 1.00 0.00 C ATOM 1063 ND1 HIS A 69 23.943 5.041 -11.447 1.00 0.00 N ATOM 1064 CD2 HIS A 69 25.135 4.663 -9.613 1.00 0.00 C ATOM 1065 CE1 HIS A 69 24.912 4.185 -11.725 1.00 0.00 C ATOM 1066 NE2 HIS A 69 25.661 3.926 -10.644 1.00 0.00 N ATOM 0 H HIS A 69 22.440 6.458 -7.099 1.00 0.00 H new ATOM 0 HA HIS A 69 24.892 6.958 -8.361 1.00 0.00 H new ATOM 0 HB2 HIS A 69 22.376 5.739 -8.921 1.00 0.00 H new ATOM 0 HB3 HIS A 69 22.650 6.906 -10.199 1.00 0.00 H new ATOM 0 HD2 HIS A 69 25.494 4.693 -8.595 1.00 0.00 H new ATOM 0 HE1 HIS A 69 25.079 3.750 -12.699 1.00 0.00 H new ATOM 0 HE2 HIS A 69 26.466 3.302 -10.597 1.00 0.00 H new ATOM 1074 N MET A 70 22.576 9.271 -8.800 1.00 0.00 N ATOM 1075 CA MET A 70 22.350 10.641 -9.248 1.00 0.00 C ATOM 1076 C MET A 70 23.069 11.649 -8.353 1.00 0.00 C ATOM 1077 O MET A 70 23.401 12.749 -8.790 1.00 0.00 O ATOM 1078 CB MET A 70 20.856 10.948 -9.280 1.00 0.00 C ATOM 1079 CG MET A 70 20.160 10.425 -10.524 1.00 0.00 C ATOM 1080 SD MET A 70 19.313 11.727 -11.443 1.00 0.00 S ATOM 1081 CE MET A 70 17.947 10.802 -12.146 1.00 0.00 C ATOM 0 H MET A 70 21.758 8.825 -8.384 1.00 0.00 H new ATOM 0 HA MET A 70 22.758 10.731 -10.255 1.00 0.00 H new ATOM 0 HB2 MET A 70 20.384 10.513 -8.399 1.00 0.00 H new ATOM 0 HB3 MET A 70 20.713 12.027 -9.219 1.00 0.00 H new ATOM 0 HG2 MET A 70 20.894 9.946 -11.172 1.00 0.00 H new ATOM 0 HG3 MET A 70 19.439 9.659 -10.238 1.00 0.00 H new ATOM 0 HE1 MET A 70 17.326 11.468 -12.745 1.00 0.00 H new ATOM 0 HE2 MET A 70 18.335 10.003 -12.777 1.00 0.00 H new ATOM 0 HE3 MET A 70 17.348 10.372 -11.344 1.00 0.00 H new ATOM 1091 N GLY A 71 23.334 11.260 -7.112 1.00 0.00 N ATOM 1092 CA GLY A 71 24.039 12.138 -6.198 1.00 0.00 C ATOM 1093 C GLY A 71 23.413 12.173 -4.822 1.00 0.00 C ATOM 1094 O GLY A 71 22.978 11.145 -4.305 1.00 0.00 O ATOM 0 H GLY A 71 23.074 10.354 -6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 71 25.075 11.811 -6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 71 24.056 13.147 -6.610 1.00 0.00 H new ATOM 1098 N SER A 72 23.342 13.360 -4.238 1.00 0.00 N ATOM 1099 CA SER A 72 22.735 13.526 -2.931 1.00 0.00 C ATOM 1100 C SER A 72 21.214 13.550 -3.047 1.00 0.00 C ATOM 1101 O SER A 72 20.635 14.452 -3.660 1.00 0.00 O ATOM 1102 CB SER A 72 23.240 14.813 -2.272 1.00 0.00 C ATOM 1103 OG SER A 72 24.660 14.819 -2.176 1.00 0.00 O ATOM 0 H SER A 72 23.698 14.222 -4.651 1.00 0.00 H new ATOM 0 HA SER A 72 23.019 12.679 -2.307 1.00 0.00 H new ATOM 0 HB2 SER A 72 22.908 15.675 -2.850 1.00 0.00 H new ATOM 0 HB3 SER A 72 22.805 14.910 -1.277 1.00 0.00 H new ATOM 0 HG SER A 72 24.956 15.652 -1.753 1.00 0.00 H new ATOM 1109 N GLY A 73 20.574 12.558 -2.450 1.00 0.00 N ATOM 1110 CA GLY A 73 19.126 12.488 -2.468 1.00 0.00 C ATOM 1111 C GLY A 73 18.532 12.985 -1.170 1.00 0.00 C ATOM 1112 O GLY A 73 17.377 13.410 -1.119 1.00 0.00 O ATOM 0 H GLY A 73 21.032 11.796 -1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 73 18.742 13.083 -3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 73 18.812 11.459 -2.643 1.00 0.00 H new ATOM 1116 N GLY A 74 19.332 12.917 -0.119 1.00 0.00 N ATOM 1117 CA GLY A 74 18.905 13.352 1.190 1.00 0.00 C ATOM 1118 C GLY A 74 20.016 13.207 2.202 1.00 0.00 C ATOM 1119 O GLY A 74 20.203 12.137 2.778 1.00 0.00 O ATOM 0 H GLY A 74 20.287 12.561 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.585 14.393 1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.042 12.767 1.507 1.00 0.00 H new ATOM 1123 N ASP A 75 20.809 14.257 2.356 1.00 0.00 N ATOM 1124 CA ASP A 75 21.949 14.224 3.263 1.00 0.00 C ATOM 1125 C ASP A 75 21.499 14.504 4.691 1.00 0.00 C ATOM 1126 O ASP A 75 21.333 15.660 5.089 1.00 0.00 O ATOM 1127 CB ASP A 75 23.002 15.248 2.836 1.00 0.00 C ATOM 1128 CG ASP A 75 24.336 15.040 3.527 1.00 0.00 C ATOM 1129 OD1 ASP A 75 24.446 15.353 4.729 1.00 0.00 O ATOM 1130 OD2 ASP A 75 25.289 14.578 2.862 1.00 0.00 O ATOM 0 H ASP A 75 20.685 15.143 1.865 1.00 0.00 H new ATOM 0 HA ASP A 75 22.391 13.229 3.222 1.00 0.00 H new ATOM 0 HB2 ASP A 75 23.144 15.189 1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 75 22.637 16.251 3.055 1.00 0.00 H new ATOM 1135 N VAL A 76 21.260 13.438 5.441 1.00 0.00 N ATOM 1136 CA VAL A 76 20.796 13.545 6.813 1.00 0.00 C ATOM 1137 C VAL A 76 21.554 12.577 7.712 1.00 0.00 C ATOM 1138 O VAL A 76 22.152 11.611 7.233 1.00 0.00 O ATOM 1139 CB VAL A 76 19.286 13.246 6.943 1.00 0.00 C ATOM 1140 CG1 VAL A 76 18.535 14.471 7.445 1.00 0.00 C ATOM 1141 CG2 VAL A 76 18.697 12.757 5.627 1.00 0.00 C ATOM 0 H VAL A 76 21.382 12.479 5.116 1.00 0.00 H new ATOM 0 HA VAL A 76 20.979 14.574 7.121 1.00 0.00 H new ATOM 0 HB VAL A 76 19.171 12.446 7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 76 17.474 14.238 7.529 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.922 14.760 8.422 1.00 0.00 H new ATOM 0 HG13 VAL A 76 18.671 15.294 6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 76 17.633 12.557 5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 76 18.832 13.521 4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 76 19.204 11.842 5.319 1.00 0.00 H new ATOM 1151 N MET A 77 21.542 12.850 9.008 1.00 0.00 N ATOM 1152 CA MET A 77 22.221 12.006 9.976 1.00 0.00 C ATOM 1153 C MET A 77 21.411 10.747 10.262 1.00 0.00 C ATOM 1154 O MET A 77 20.213 10.824 10.552 1.00 0.00 O ATOM 1155 CB MET A 77 22.457 12.776 11.270 1.00 0.00 C ATOM 1156 CG MET A 77 23.177 14.088 11.049 1.00 0.00 C ATOM 1157 SD MET A 77 23.646 14.903 12.590 1.00 0.00 S ATOM 1158 CE MET A 77 22.577 16.341 12.543 1.00 0.00 C ATOM 0 H MET A 77 21.066 13.655 9.414 1.00 0.00 H new ATOM 0 HA MET A 77 23.182 11.710 9.555 1.00 0.00 H new ATOM 0 HB2 MET A 77 21.499 12.969 11.752 1.00 0.00 H new ATOM 0 HB3 MET A 77 23.039 12.158 11.954 1.00 0.00 H new ATOM 0 HG2 MET A 77 24.071 13.909 10.452 1.00 0.00 H new ATOM 0 HG3 MET A 77 22.537 14.755 10.472 1.00 0.00 H new ATOM 0 HE1 MET A 77 22.747 16.950 13.431 1.00 0.00 H new ATOM 0 HE2 MET A 77 22.797 16.929 11.652 1.00 0.00 H new ATOM 0 HE3 MET A 77 21.536 16.020 12.517 1.00 0.00 H new ATOM 1168 N VAL A 78 22.089 9.602 10.217 1.00 0.00 N ATOM 1169 CA VAL A 78 21.479 8.304 10.512 1.00 0.00 C ATOM 1170 C VAL A 78 20.247 8.049 9.642 1.00 0.00 C ATOM 1171 O VAL A 78 19.112 8.236 10.079 1.00 0.00 O ATOM 1172 CB VAL A 78 21.088 8.179 12.004 1.00 0.00 C ATOM 1173 CG1 VAL A 78 20.695 6.747 12.338 1.00 0.00 C ATOM 1174 CG2 VAL A 78 22.226 8.644 12.904 1.00 0.00 C ATOM 0 H VAL A 78 23.078 9.546 9.975 1.00 0.00 H new ATOM 0 HA VAL A 78 22.234 7.552 10.284 1.00 0.00 H new ATOM 0 HB VAL A 78 20.227 8.823 12.183 1.00 0.00 H new ATOM 0 HG11 VAL A 78 20.424 6.680 13.392 1.00 0.00 H new ATOM 0 HG12 VAL A 78 19.844 6.451 11.725 1.00 0.00 H new ATOM 0 HG13 VAL A 78 21.536 6.083 12.137 1.00 0.00 H new ATOM 0 HG21 VAL A 78 21.927 8.547 13.948 1.00 0.00 H new ATOM 0 HG22 VAL A 78 23.109 8.031 12.720 1.00 0.00 H new ATOM 0 HG23 VAL A 78 22.457 9.687 12.689 1.00 0.00 H new ATOM 1184 N VAL A 79 20.472 7.562 8.433 1.00 0.00 N ATOM 1185 CA VAL A 79 19.373 7.219 7.538 1.00 0.00 C ATOM 1186 C VAL A 79 19.175 5.710 7.508 1.00 0.00 C ATOM 1187 O VAL A 79 18.148 5.215 7.042 1.00 0.00 O ATOM 1188 CB VAL A 79 19.608 7.726 6.097 1.00 0.00 C ATOM 1189 CG1 VAL A 79 18.288 8.104 5.438 1.00 0.00 C ATOM 1190 CG2 VAL A 79 20.570 8.904 6.081 1.00 0.00 C ATOM 0 H VAL A 79 21.401 7.395 8.047 1.00 0.00 H new ATOM 0 HA VAL A 79 18.481 7.711 7.927 1.00 0.00 H new ATOM 0 HB VAL A 79 20.059 6.915 5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 79 18.476 8.458 4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 79 17.636 7.231 5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 79 17.806 8.893 6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 79 20.717 9.240 5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 79 20.156 9.720 6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 79 21.527 8.598 6.503 1.00 0.00 H new ATOM 1200 N GLY A 80 20.184 4.986 7.969 1.00 0.00 N ATOM 1201 CA GLY A 80 20.136 3.542 7.950 1.00 0.00 C ATOM 1202 C GLY A 80 21.250 2.964 7.109 1.00 0.00 C ATOM 1203 O GLY A 80 21.297 3.207 5.900 1.00 0.00 O ATOM 0 H GLY A 80 21.041 5.379 8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.212 3.161 8.968 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.174 3.214 7.557 1.00 0.00 H new ATOM 1207 N GLU A 81 22.201 2.297 7.769 1.00 0.00 N ATOM 1208 CA GLU A 81 23.387 1.738 7.109 1.00 0.00 C ATOM 1209 C GLU A 81 24.334 2.852 6.660 1.00 0.00 C ATOM 1210 O GLU A 81 23.929 4.011 6.552 1.00 0.00 O ATOM 1211 CB GLU A 81 22.988 0.864 5.913 1.00 0.00 C ATOM 1212 CG GLU A 81 22.595 -0.553 6.296 1.00 0.00 C ATOM 1213 CD GLU A 81 23.794 -1.450 6.508 1.00 0.00 C ATOM 1214 OE1 GLU A 81 24.421 -1.855 5.510 1.00 0.00 O ATOM 1215 OE2 GLU A 81 24.116 -1.757 7.677 1.00 0.00 O ATOM 0 H GLU A 81 22.172 2.129 8.775 1.00 0.00 H new ATOM 0 HA GLU A 81 23.908 1.112 7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 81 22.154 1.335 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 81 23.820 0.823 5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 81 21.999 -0.527 7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 81 21.963 -0.975 5.514 1.00 0.00 H new ATOM 1222 N PRO A 82 25.634 2.544 6.489 1.00 0.00 N ATOM 1223 CA PRO A 82 26.627 3.541 6.098 1.00 0.00 C ATOM 1224 C PRO A 82 26.236 4.276 4.828 1.00 0.00 C ATOM 1225 O PRO A 82 25.595 3.715 3.932 1.00 0.00 O ATOM 1226 CB PRO A 82 27.912 2.748 5.870 1.00 0.00 C ATOM 1227 CG PRO A 82 27.543 1.304 5.993 1.00 0.00 C ATOM 1228 CD PRO A 82 26.251 1.240 6.757 1.00 0.00 C ATOM 0 HA PRO A 82 26.730 4.308 6.865 1.00 0.00 H new ATOM 0 HB2 PRO A 82 28.330 2.960 4.886 1.00 0.00 H new ATOM 0 HB3 PRO A 82 28.671 3.019 6.604 1.00 0.00 H new ATOM 0 HG2 PRO A 82 27.431 0.850 5.008 1.00 0.00 H new ATOM 0 HG3 PRO A 82 28.325 0.750 6.512 1.00 0.00 H new ATOM 0 HD2 PRO A 82 25.621 0.419 6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 82 26.421 1.087 7.823 1.00 0.00 H new ATOM 1236 N THR A 83 26.570 5.545 4.788 1.00 0.00 N ATOM 1237 CA THR A 83 26.168 6.404 3.694 1.00 0.00 C ATOM 1238 C THR A 83 27.308 6.630 2.710 1.00 0.00 C ATOM 1239 O THR A 83 28.461 6.807 3.107 1.00 0.00 O ATOM 1240 CB THR A 83 25.684 7.763 4.227 1.00 0.00 C ATOM 1241 OG1 THR A 83 26.156 7.948 5.569 1.00 0.00 O ATOM 1242 CG2 THR A 83 24.167 7.848 4.204 1.00 0.00 C ATOM 0 H THR A 83 27.124 6.010 5.507 1.00 0.00 H new ATOM 0 HA THR A 83 25.354 5.902 3.172 1.00 0.00 H new ATOM 0 HB THR A 83 26.082 8.547 3.583 1.00 0.00 H new ATOM 0 HG1 THR A 83 25.849 8.815 5.907 1.00 0.00 H new ATOM 0 HG21 THR A 83 23.851 8.819 4.586 1.00 0.00 H new ATOM 0 HG22 THR A 83 23.811 7.727 3.181 1.00 0.00 H new ATOM 0 HG23 THR A 83 23.749 7.059 4.829 1.00 0.00 H new ATOM 1250 N LEU A 84 26.963 6.712 1.435 1.00 0.00 N ATOM 1251 CA LEU A 84 27.920 7.058 0.398 1.00 0.00 C ATOM 1252 C LEU A 84 28.095 8.571 0.360 1.00 0.00 C ATOM 1253 O LEU A 84 27.539 9.274 1.205 1.00 0.00 O ATOM 1254 CB LEU A 84 27.452 6.545 -0.963 1.00 0.00 C ATOM 1255 CG LEU A 84 27.412 5.025 -1.099 1.00 0.00 C ATOM 1256 CD1 LEU A 84 26.286 4.609 -2.024 1.00 0.00 C ATOM 1257 CD2 LEU A 84 28.745 4.496 -1.606 1.00 0.00 C ATOM 0 H LEU A 84 26.018 6.542 1.092 1.00 0.00 H new ATOM 0 HA LEU A 84 28.876 6.587 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 84 26.455 6.939 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 84 28.111 6.947 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 84 27.228 4.595 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 84 26.270 3.523 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 84 25.335 4.955 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 84 26.442 5.050 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 84 28.695 3.411 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 84 28.962 4.931 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 84 29.534 4.766 -0.904 1.00 0.00 H new ATOM 1269 N MET A 85 28.885 9.063 -0.586 1.00 0.00 N ATOM 1270 CA MET A 85 29.132 10.498 -0.709 1.00 0.00 C ATOM 1271 C MET A 85 27.810 11.257 -0.820 1.00 0.00 C ATOM 1272 O MET A 85 27.580 12.235 -0.106 1.00 0.00 O ATOM 1273 CB MET A 85 30.010 10.776 -1.930 1.00 0.00 C ATOM 1274 CG MET A 85 30.337 12.246 -2.130 1.00 0.00 C ATOM 1275 SD MET A 85 31.084 12.573 -3.738 1.00 0.00 S ATOM 1276 CE MET A 85 29.790 11.998 -4.832 1.00 0.00 C ATOM 0 H MET A 85 29.367 8.491 -1.280 1.00 0.00 H new ATOM 0 HA MET A 85 29.654 10.843 0.184 1.00 0.00 H new ATOM 0 HB2 MET A 85 30.940 10.217 -1.831 1.00 0.00 H new ATOM 0 HB3 MET A 85 29.506 10.401 -2.821 1.00 0.00 H new ATOM 0 HG2 MET A 85 29.425 12.835 -2.030 1.00 0.00 H new ATOM 0 HG3 MET A 85 31.017 12.574 -1.344 1.00 0.00 H new ATOM 0 HE1 MET A 85 29.840 12.545 -5.773 1.00 0.00 H new ATOM 0 HE2 MET A 85 29.922 10.933 -5.024 1.00 0.00 H new ATOM 0 HE3 MET A 85 28.819 12.165 -4.366 1.00 0.00 H new ATOM 1286 N GLY A 86 26.884 10.685 -1.573 1.00 0.00 N ATOM 1287 CA GLY A 86 25.536 11.203 -1.598 1.00 0.00 C ATOM 1288 C GLY A 86 24.655 10.475 -0.603 1.00 0.00 C ATOM 1289 O GLY A 86 24.678 9.244 -0.541 1.00 0.00 O ATOM 0 H GLY A 86 27.043 9.871 -2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 86 25.548 12.268 -1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 86 25.121 11.099 -2.601 1.00 0.00 H new ATOM 1293 N GLY A 87 23.875 11.219 0.166 1.00 0.00 N ATOM 1294 CA GLY A 87 22.976 10.602 1.122 1.00 0.00 C ATOM 1295 C GLY A 87 21.683 10.212 0.456 1.00 0.00 C ATOM 1296 O GLY A 87 21.250 10.909 -0.459 1.00 0.00 O ATOM 0 H GLY A 87 23.847 12.238 0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 87 23.448 9.721 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 87 22.776 11.294 1.940 1.00 0.00 H new ATOM 1300 N GLU A 88 21.076 9.112 0.914 1.00 0.00 N ATOM 1301 CA GLU A 88 19.856 8.580 0.343 1.00 0.00 C ATOM 1302 C GLU A 88 20.075 8.178 -1.119 1.00 0.00 C ATOM 1303 O GLU A 88 20.462 8.992 -1.951 1.00 0.00 O ATOM 1304 CB GLU A 88 18.748 9.596 0.494 1.00 0.00 C ATOM 1305 CG GLU A 88 18.040 9.526 1.835 1.00 0.00 C ATOM 1306 CD GLU A 88 16.674 10.182 1.817 1.00 0.00 C ATOM 1307 OE1 GLU A 88 15.770 9.668 1.126 1.00 0.00 O ATOM 1308 OE2 GLU A 88 16.492 11.218 2.496 1.00 0.00 O ATOM 0 H GLU A 88 21.430 8.568 1.701 1.00 0.00 H new ATOM 0 HA GLU A 88 19.563 7.676 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.162 10.596 0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 88 18.018 9.446 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.932 8.482 2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 88 18.659 10.008 2.592 1.00 0.00 H new ATOM 1315 N PHE A 89 20.048 6.879 -1.373 1.00 0.00 N ATOM 1316 CA PHE A 89 20.479 6.355 -2.663 1.00 0.00 C ATOM 1317 C PHE A 89 19.414 5.535 -3.336 1.00 0.00 C ATOM 1318 O PHE A 89 18.984 4.523 -2.804 1.00 0.00 O ATOM 1319 CB PHE A 89 21.682 5.477 -2.495 1.00 0.00 C ATOM 1320 CG PHE A 89 22.224 5.484 -1.094 1.00 0.00 C ATOM 1321 CD1 PHE A 89 21.625 4.743 -0.080 1.00 0.00 C ATOM 1322 CD2 PHE A 89 23.328 6.249 -0.794 1.00 0.00 C ATOM 1323 CE1 PHE A 89 22.131 4.771 1.205 1.00 0.00 C ATOM 1324 CE2 PHE A 89 23.839 6.285 0.489 1.00 0.00 C ATOM 1325 CZ PHE A 89 23.241 5.541 1.489 1.00 0.00 C ATOM 0 H PHE A 89 19.735 6.171 -0.709 1.00 0.00 H new ATOM 0 HA PHE A 89 20.706 7.224 -3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 89 21.421 4.456 -2.772 1.00 0.00 H new ATOM 0 HB3 PHE A 89 22.462 5.804 -3.182 1.00 0.00 H new ATOM 0 HD1 PHE A 89 20.756 4.140 -0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 89 23.801 6.829 -1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 89 21.660 4.192 1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 89 24.704 6.893 0.710 1.00 0.00 H new ATOM 0 HZ PHE A 89 23.642 5.562 2.492 1.00 0.00 H new ATOM 1335 N GLY A 90 19.163 5.827 -4.583 1.00 0.00 N ATOM 1336 CA GLY A 90 18.289 4.967 -5.329 1.00 0.00 C ATOM 1337 C GLY A 90 17.944 5.472 -6.705 1.00 0.00 C ATOM 1338 O GLY A 90 18.616 5.162 -7.687 1.00 0.00 O ATOM 0 H GLY A 90 19.538 6.628 -5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.756 3.987 -5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 90 17.367 4.828 -4.764 1.00 0.00 H new ATOM 1342 N ASP A 91 16.771 6.078 -6.781 1.00 0.00 N ATOM 1343 CA ASP A 91 16.148 6.406 -8.042 1.00 0.00 C ATOM 1344 C ASP A 91 15.975 7.914 -8.202 1.00 0.00 C ATOM 1345 O ASP A 91 16.955 8.657 -8.269 1.00 0.00 O ATOM 1346 CB ASP A 91 14.793 5.691 -8.120 1.00 0.00 C ATOM 1347 CG ASP A 91 14.145 5.528 -6.766 1.00 0.00 C ATOM 1348 OD1 ASP A 91 13.854 6.548 -6.111 1.00 0.00 O ATOM 1349 OD2 ASP A 91 13.947 4.368 -6.346 1.00 0.00 O ATOM 0 H ASP A 91 16.226 6.355 -5.964 1.00 0.00 H new ATOM 0 HA ASP A 91 16.790 6.071 -8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.126 6.254 -8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.930 4.710 -8.574 1.00 0.00 H new ATOM 1354 N GLU A 92 14.722 8.358 -8.222 1.00 0.00 N ATOM 1355 CA GLU A 92 14.392 9.771 -8.380 1.00 0.00 C ATOM 1356 C GLU A 92 12.952 10.033 -7.941 1.00 0.00 C ATOM 1357 O GLU A 92 12.696 10.881 -7.085 1.00 0.00 O ATOM 1358 CB GLU A 92 14.585 10.232 -9.836 1.00 0.00 C ATOM 1359 CG GLU A 92 14.611 9.101 -10.859 1.00 0.00 C ATOM 1360 CD GLU A 92 13.235 8.748 -11.384 1.00 0.00 C ATOM 1361 OE1 GLU A 92 12.547 7.918 -10.751 1.00 0.00 O ATOM 1362 OE2 GLU A 92 12.833 9.305 -12.426 1.00 0.00 O ATOM 0 H GLU A 92 13.908 7.750 -8.129 1.00 0.00 H new ATOM 0 HA GLU A 92 15.071 10.342 -7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.781 10.921 -10.095 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.519 10.790 -9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.250 9.388 -11.694 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.058 8.217 -10.404 1.00 0.00 H new ATOM 1369 N ASP A 93 12.014 9.314 -8.550 1.00 0.00 N ATOM 1370 CA ASP A 93 10.595 9.469 -8.243 1.00 0.00 C ATOM 1371 C ASP A 93 9.924 8.106 -8.123 1.00 0.00 C ATOM 1372 O ASP A 93 9.143 7.869 -7.199 1.00 0.00 O ATOM 1373 CB ASP A 93 9.902 10.301 -9.323 1.00 0.00 C ATOM 1374 CG ASP A 93 8.459 10.611 -8.980 1.00 0.00 C ATOM 1375 OD1 ASP A 93 8.210 11.223 -7.918 1.00 0.00 O ATOM 1376 OD2 ASP A 93 7.564 10.251 -9.776 1.00 0.00 O ATOM 0 H ASP A 93 12.213 8.613 -9.264 1.00 0.00 H new ATOM 0 HA ASP A 93 10.506 9.989 -7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.447 11.234 -9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.939 9.764 -10.271 1.00 0.00 H new ATOM 1381 N GLU A 94 10.320 7.187 -9.005 1.00 0.00 N ATOM 1382 CA GLU A 94 9.857 5.797 -8.965 1.00 0.00 C ATOM 1383 C GLU A 94 8.329 5.686 -9.031 1.00 0.00 C ATOM 1384 O GLU A 94 7.649 6.521 -9.629 1.00 0.00 O ATOM 1385 CB GLU A 94 10.376 5.098 -7.701 1.00 0.00 C ATOM 1386 CG GLU A 94 11.216 3.858 -7.973 1.00 0.00 C ATOM 1387 CD GLU A 94 11.025 3.308 -9.369 1.00 0.00 C ATOM 1388 OE1 GLU A 94 11.757 3.732 -10.285 1.00 0.00 O ATOM 1389 OE2 GLU A 94 10.142 2.447 -9.556 1.00 0.00 O ATOM 0 H GLU A 94 10.970 7.384 -9.766 1.00 0.00 H new ATOM 0 HA GLU A 94 10.259 5.303 -9.850 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.971 5.807 -7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.526 4.818 -7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.269 4.099 -7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.960 3.087 -7.247 1.00 0.00 H new ATOM 1396 N ARG A 95 7.807 4.629 -8.427 1.00 0.00 N ATOM 1397 CA ARG A 95 6.378 4.371 -8.401 1.00 0.00 C ATOM 1398 C ARG A 95 5.938 4.106 -6.967 1.00 0.00 C ATOM 1399 O ARG A 95 6.577 3.332 -6.251 1.00 0.00 O ATOM 1400 CB ARG A 95 6.042 3.171 -9.288 1.00 0.00 C ATOM 1401 CG ARG A 95 4.713 3.291 -10.016 1.00 0.00 C ATOM 1402 CD ARG A 95 4.803 2.729 -11.426 1.00 0.00 C ATOM 1403 NE ARG A 95 3.960 1.552 -11.612 1.00 0.00 N ATOM 1404 CZ ARG A 95 3.123 1.387 -12.638 1.00 0.00 C ATOM 1405 NH1 ARG A 95 3.008 2.328 -13.569 1.00 0.00 N ATOM 1406 NH2 ARG A 95 2.403 0.279 -12.733 1.00 0.00 N ATOM 0 H ARG A 95 8.364 3.926 -7.941 1.00 0.00 H new ATOM 0 HA ARG A 95 5.847 5.242 -8.785 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.836 3.042 -10.023 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.028 2.271 -8.673 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.941 2.760 -9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.412 4.338 -10.058 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.510 3.499 -12.140 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.839 2.469 -11.645 1.00 0.00 H new ATOM 0 HE ARG A 95 4.014 0.810 -10.915 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.561 3.182 -13.502 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.366 2.196 -14.351 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.489 -0.447 -12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.763 0.152 -13.517 1.00 0.00 H new ATOM 1420 N LEU A 96 4.921 4.819 -6.517 1.00 0.00 N ATOM 1421 CA LEU A 96 4.492 4.725 -5.130 1.00 0.00 C ATOM 1422 C LEU A 96 3.083 4.163 -5.017 1.00 0.00 C ATOM 1423 O LEU A 96 2.162 4.619 -5.700 1.00 0.00 O ATOM 1424 CB LEU A 96 4.555 6.095 -4.449 1.00 0.00 C ATOM 1425 CG LEU A 96 4.694 7.288 -5.394 1.00 0.00 C ATOM 1426 CD1 LEU A 96 3.694 8.373 -5.034 1.00 0.00 C ATOM 1427 CD2 LEU A 96 6.113 7.830 -5.356 1.00 0.00 C ATOM 0 H LEU A 96 4.378 5.467 -7.087 1.00 0.00 H new ATOM 0 HA LEU A 96 5.176 4.042 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.652 6.228 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.397 6.100 -3.757 1.00 0.00 H new ATOM 0 HG LEU A 96 4.481 6.953 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.808 9.214 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.682 7.976 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.873 8.709 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.196 8.679 -6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.353 8.150 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.809 7.050 -5.664 1.00 0.00 H new ATOM 1439 N ILE A 97 2.912 3.230 -4.092 1.00 0.00 N ATOM 1440 CA ILE A 97 1.603 2.675 -3.787 1.00 0.00 C ATOM 1441 C ILE A 97 0.898 3.557 -2.765 1.00 0.00 C ATOM 1442 O ILE A 97 1.548 4.252 -1.979 1.00 0.00 O ATOM 1443 CB ILE A 97 1.690 1.232 -3.235 1.00 0.00 C ATOM 1444 CG1 ILE A 97 2.931 0.517 -3.774 1.00 0.00 C ATOM 1445 CG2 ILE A 97 0.433 0.446 -3.585 1.00 0.00 C ATOM 1446 CD1 ILE A 97 3.309 -0.717 -2.984 1.00 0.00 C ATOM 0 H ILE A 97 3.672 2.839 -3.535 1.00 0.00 H new ATOM 0 HA ILE A 97 1.040 2.643 -4.720 1.00 0.00 H new ATOM 0 HB ILE A 97 1.771 1.291 -2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.755 0.234 -4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.771 1.212 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.514 -0.566 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.437 0.938 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.321 0.403 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.197 -1.172 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.517 -0.438 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.486 -1.431 -3.008 1.00 0.00 H new ATOM 1458 N THR A 98 -0.421 3.535 -2.788 1.00 0.00 N ATOM 1459 CA THR A 98 -1.215 4.346 -1.889 1.00 0.00 C ATOM 1460 C THR A 98 -2.522 3.636 -1.554 1.00 0.00 C ATOM 1461 O THR A 98 -2.940 2.712 -2.264 1.00 0.00 O ATOM 1462 CB THR A 98 -1.502 5.739 -2.507 1.00 0.00 C ATOM 1463 OG1 THR A 98 -1.894 6.673 -1.490 1.00 0.00 O ATOM 1464 CG2 THR A 98 -2.591 5.661 -3.569 1.00 0.00 C ATOM 0 H THR A 98 -0.968 2.958 -3.427 1.00 0.00 H new ATOM 0 HA THR A 98 -0.647 4.493 -0.970 1.00 0.00 H new ATOM 0 HB THR A 98 -0.580 6.082 -2.977 1.00 0.00 H new ATOM 0 HG1 THR A 98 -2.069 7.547 -1.898 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.768 6.654 -3.982 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.275 4.988 -4.366 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.511 5.286 -3.120 1.00 0.00 H new ATOM 1472 N ARG A 99 -3.141 4.047 -0.459 1.00 0.00 N ATOM 1473 CA ARG A 99 -4.403 3.475 -0.037 1.00 0.00 C ATOM 1474 C ARG A 99 -5.538 4.109 -0.821 1.00 0.00 C ATOM 1475 O ARG A 99 -5.578 5.330 -0.996 1.00 0.00 O ATOM 1476 CB ARG A 99 -4.622 3.690 1.460 1.00 0.00 C ATOM 1477 CG ARG A 99 -3.418 3.338 2.318 1.00 0.00 C ATOM 1478 CD ARG A 99 -3.456 1.884 2.767 1.00 0.00 C ATOM 1479 NE ARG A 99 -4.371 1.668 3.891 1.00 0.00 N ATOM 1480 CZ ARG A 99 -4.145 2.078 5.136 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -3.007 2.681 5.453 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -5.055 1.852 6.070 1.00 0.00 N ATOM 0 H ARG A 99 -2.785 4.779 0.155 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.381 2.403 -0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -4.885 4.734 1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.473 3.090 1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -2.503 3.522 1.755 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.391 3.989 3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.760 1.256 1.929 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.453 1.569 3.054 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.241 1.169 3.706 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.295 2.834 4.739 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.844 2.991 6.411 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.920 1.367 5.832 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.891 2.163 7.028 1.00 0.00 H new ATOM 1496 N LEU A 100 -6.432 3.282 -1.326 1.00 0.00 N ATOM 1497 CA LEU A 100 -7.546 3.763 -2.114 1.00 0.00 C ATOM 1498 C LEU A 100 -8.859 3.300 -1.512 1.00 0.00 C ATOM 1499 O LEU A 100 -8.879 2.568 -0.520 1.00 0.00 O ATOM 1500 CB LEU A 100 -7.437 3.268 -3.555 1.00 0.00 C ATOM 1501 CG LEU A 100 -7.800 4.292 -4.637 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -7.802 5.709 -4.077 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -6.830 4.188 -5.802 1.00 0.00 C ATOM 0 H LEU A 100 -6.407 2.270 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.518 4.853 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.415 2.930 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.084 2.398 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.807 4.069 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.063 6.412 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.533 5.781 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.811 5.949 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.097 4.920 -6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.817 4.384 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.879 3.186 -6.228 1.00 0.00 H new ATOM 1515 N GLU A 101 -9.947 3.704 -2.135 1.00 0.00 N ATOM 1516 CA GLU A 101 -11.275 3.346 -1.665 1.00 0.00 C ATOM 1517 C GLU A 101 -12.026 2.532 -2.706 1.00 0.00 C ATOM 1518 O GLU A 101 -12.020 2.858 -3.895 1.00 0.00 O ATOM 1519 CB GLU A 101 -12.079 4.594 -1.300 1.00 0.00 C ATOM 1520 CG GLU A 101 -11.538 5.871 -1.912 1.00 0.00 C ATOM 1521 CD GLU A 101 -12.632 6.863 -2.248 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -13.457 7.171 -1.363 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -12.680 7.333 -3.404 1.00 0.00 O ATOM 0 H GLU A 101 -9.940 4.284 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.152 2.734 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.111 4.457 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -12.095 4.700 -0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.834 6.332 -1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.981 5.629 -2.817 1.00 0.00 H new ATOM 1530 N ASN A 102 -12.719 1.513 -2.234 1.00 0.00 N ATOM 1531 CA ASN A 102 -13.566 0.684 -3.077 1.00 0.00 C ATOM 1532 C ASN A 102 -15.027 0.947 -2.720 1.00 0.00 C ATOM 1533 O ASN A 102 -15.309 1.607 -1.718 1.00 0.00 O ATOM 1534 CB ASN A 102 -13.215 -0.797 -2.878 1.00 0.00 C ATOM 1535 CG ASN A 102 -14.018 -1.722 -3.774 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -14.257 -1.422 -4.945 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.463 -2.837 -3.219 1.00 0.00 N ATOM 0 H ASN A 102 -12.712 1.234 -1.253 1.00 0.00 H new ATOM 0 HA ASN A 102 -13.404 0.932 -4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.153 -0.942 -3.074 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.387 -1.069 -1.837 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -15.028 -3.488 -3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.241 -3.046 -2.246 1.00 0.00 H new ATOM 1544 N THR A 103 -15.954 0.380 -3.475 1.00 0.00 N ATOM 1545 CA THR A 103 -17.347 0.516 -3.166 1.00 0.00 C ATOM 1546 C THR A 103 -17.941 -0.802 -2.738 1.00 0.00 C ATOM 1547 O THR A 103 -18.230 -1.691 -3.538 1.00 0.00 O ATOM 1548 CB THR A 103 -18.164 1.064 -4.321 1.00 0.00 C ATOM 1549 OG1 THR A 103 -17.407 1.037 -5.543 1.00 0.00 O ATOM 1550 CG2 THR A 103 -18.610 2.477 -4.006 1.00 0.00 C ATOM 0 H THR A 103 -15.755 -0.178 -4.306 1.00 0.00 H new ATOM 0 HA THR A 103 -17.394 1.234 -2.347 1.00 0.00 H new ATOM 0 HB THR A 103 -19.043 0.434 -4.457 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.954 1.393 -6.274 1.00 0.00 H new ATOM 0 HG21 THR A 103 -19.196 2.867 -4.838 1.00 0.00 H new ATOM 0 HG22 THR A 103 -19.220 2.473 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 103 -17.735 3.109 -3.851 1.00 0.00 H new ATOM 1558 N GLN A 104 -18.171 -0.851 -1.471 1.00 0.00 N ATOM 1559 CA GLN A 104 -18.818 -1.982 -0.815 1.00 0.00 C ATOM 1560 C GLN A 104 -19.841 -1.484 0.197 1.00 0.00 C ATOM 1561 O GLN A 104 -20.593 -2.268 0.778 1.00 0.00 O ATOM 1562 CB GLN A 104 -17.779 -2.865 -0.111 1.00 0.00 C ATOM 1563 CG GLN A 104 -17.468 -2.432 1.316 1.00 0.00 C ATOM 1564 CD GLN A 104 -17.324 -3.599 2.277 1.00 0.00 C ATOM 1565 OE1 GLN A 104 -16.301 -3.739 2.946 1.00 0.00 O ATOM 1566 NE2 GLN A 104 -18.345 -4.438 2.366 1.00 0.00 N ATOM 0 H GLN A 104 -17.917 -0.099 -0.830 1.00 0.00 H new ATOM 0 HA GLN A 104 -19.324 -2.577 -1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -18.139 -3.894 -0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -16.857 -2.858 -0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -16.546 -1.851 1.320 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -18.261 -1.774 1.670 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -19.178 -4.290 1.796 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -18.299 -5.232 3.005 1.00 0.00 H new ATOM 1575 N PHE A 105 -19.820 -0.184 0.447 1.00 0.00 N ATOM 1576 CA PHE A 105 -20.685 0.416 1.423 1.00 0.00 C ATOM 1577 C PHE A 105 -21.511 1.509 0.775 1.00 0.00 C ATOM 1578 O PHE A 105 -21.097 2.668 0.691 1.00 0.00 O ATOM 1579 CB PHE A 105 -19.860 0.967 2.579 1.00 0.00 C ATOM 1580 CG PHE A 105 -19.799 0.023 3.742 1.00 0.00 C ATOM 1581 CD1 PHE A 105 -20.924 -0.691 4.115 1.00 0.00 C ATOM 1582 CD2 PHE A 105 -18.622 -0.161 4.455 1.00 0.00 C ATOM 1583 CE1 PHE A 105 -20.882 -1.573 5.178 1.00 0.00 C ATOM 1584 CE2 PHE A 105 -18.574 -1.041 5.520 1.00 0.00 C ATOM 1585 CZ PHE A 105 -19.706 -1.748 5.883 1.00 0.00 C ATOM 0 H PHE A 105 -19.201 0.475 -0.025 1.00 0.00 H new ATOM 0 HA PHE A 105 -21.365 -0.339 1.819 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -18.848 1.176 2.232 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -20.287 1.915 2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -21.846 -0.557 3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -17.735 0.389 4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -21.767 -2.125 5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -17.653 -1.176 6.068 1.00 0.00 H new ATOM 0 HZ PHE A 105 -19.671 -2.435 6.715 1.00 0.00 H new ATOM 1595 N ASP A 106 -22.649 1.102 0.262 1.00 0.00 N ATOM 1596 CA ASP A 106 -23.556 1.998 -0.447 1.00 0.00 C ATOM 1597 C ASP A 106 -24.238 2.935 0.528 1.00 0.00 C ATOM 1598 O ASP A 106 -24.512 4.098 0.215 1.00 0.00 O ATOM 1599 CB ASP A 106 -24.617 1.188 -1.186 1.00 0.00 C ATOM 1600 CG ASP A 106 -24.735 1.570 -2.646 1.00 0.00 C ATOM 1601 OD1 ASP A 106 -24.717 2.781 -2.953 1.00 0.00 O ATOM 1602 OD2 ASP A 106 -24.866 0.662 -3.495 1.00 0.00 O ATOM 0 H ASP A 106 -22.980 0.139 0.321 1.00 0.00 H new ATOM 0 HA ASP A 106 -22.976 2.581 -1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -24.376 0.128 -1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -25.581 1.331 -0.699 1.00 0.00 H new ATOM 1607 N ALA A 107 -24.576 2.374 1.681 1.00 0.00 N ATOM 1608 CA ALA A 107 -25.309 3.080 2.724 1.00 0.00 C ATOM 1609 C ALA A 107 -26.708 3.424 2.237 1.00 0.00 C ATOM 1610 O ALA A 107 -27.085 4.597 2.147 1.00 0.00 O ATOM 1611 CB ALA A 107 -24.557 4.324 3.177 1.00 0.00 C ATOM 0 H ALA A 107 -24.348 1.409 1.921 1.00 0.00 H new ATOM 0 HA ALA A 107 -25.399 2.425 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -25.127 4.831 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -23.582 4.037 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -24.423 4.997 2.330 1.00 0.00 H new ATOM 1617 N ALA A 108 -27.442 2.390 1.838 1.00 0.00 N ATOM 1618 CA ALA A 108 -28.774 2.563 1.278 1.00 0.00 C ATOM 1619 C ALA A 108 -29.756 3.046 2.337 1.00 0.00 C ATOM 1620 O ALA A 108 -30.508 3.996 2.115 1.00 0.00 O ATOM 1621 CB ALA A 108 -29.261 1.260 0.662 1.00 0.00 C ATOM 0 H ALA A 108 -27.133 1.420 1.893 1.00 0.00 H new ATOM 0 HA ALA A 108 -28.717 3.323 0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -30.259 1.404 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -28.579 0.955 -0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -29.295 0.486 1.428 1.00 0.00 H new ATOM 1627 N ASN A 109 -29.733 2.399 3.493 1.00 0.00 N ATOM 1628 CA ASN A 109 -30.619 2.769 4.590 1.00 0.00 C ATOM 1629 C ASN A 109 -29.811 3.228 5.797 1.00 0.00 C ATOM 1630 O ASN A 109 -30.124 2.884 6.938 1.00 0.00 O ATOM 1631 CB ASN A 109 -31.525 1.595 4.978 1.00 0.00 C ATOM 1632 CG ASN A 109 -32.811 2.051 5.645 1.00 0.00 C ATOM 1633 OD1 ASN A 109 -33.215 3.210 5.520 1.00 0.00 O ATOM 1634 ND2 ASN A 109 -33.463 1.148 6.361 1.00 0.00 N ATOM 0 H ASN A 109 -29.112 1.616 3.697 1.00 0.00 H new ATOM 0 HA ASN A 109 -31.247 3.594 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -31.767 1.016 4.086 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -30.985 0.931 5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -34.331 1.401 6.833 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -33.097 0.199 6.441 1.00 0.00 H new ATOM 1641 N GLY A 110 -28.762 3.991 5.536 1.00 0.00 N ATOM 1642 CA GLY A 110 -27.920 4.484 6.607 1.00 0.00 C ATOM 1643 C GLY A 110 -26.617 3.724 6.707 1.00 0.00 C ATOM 1644 O GLY A 110 -26.193 3.081 5.747 1.00 0.00 O ATOM 0 H GLY A 110 -28.477 4.279 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -27.710 5.541 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -28.456 4.408 7.553 1.00 0.00 H new ATOM 1648 N ILE A 111 -25.998 3.773 7.879 1.00 0.00 N ATOM 1649 CA ILE A 111 -24.739 3.077 8.114 1.00 0.00 C ATOM 1650 C ILE A 111 -24.972 1.574 8.221 1.00 0.00 C ATOM 1651 O ILE A 111 -24.090 0.771 7.908 1.00 0.00 O ATOM 1652 CB ILE A 111 -24.039 3.579 9.396 1.00 0.00 C ATOM 1653 CG1 ILE A 111 -24.301 5.074 9.606 1.00 0.00 C ATOM 1654 CG2 ILE A 111 -22.543 3.310 9.324 1.00 0.00 C ATOM 1655 CD1 ILE A 111 -24.833 5.409 10.982 1.00 0.00 C ATOM 0 H ILE A 111 -26.349 4.290 8.685 1.00 0.00 H new ATOM 0 HA ILE A 111 -24.091 3.288 7.264 1.00 0.00 H new ATOM 0 HB ILE A 111 -24.451 3.035 10.246 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -23.374 5.623 9.440 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -25.014 5.418 8.857 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -22.064 3.670 10.235 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -22.370 2.239 9.222 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -22.121 3.829 8.463 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -24.995 6.484 11.058 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.777 4.888 11.144 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -24.112 5.096 11.737 1.00 0.00 H new ATOM 1667 N ASP A 112 -26.204 1.200 8.538 1.00 0.00 N ATOM 1668 CA ASP A 112 -26.595 -0.203 8.548 1.00 0.00 C ATOM 1669 C ASP A 112 -26.993 -0.622 7.141 1.00 0.00 C ATOM 1670 O ASP A 112 -28.172 -0.800 6.839 1.00 0.00 O ATOM 1671 CB ASP A 112 -27.755 -0.445 9.518 1.00 0.00 C ATOM 1672 CG ASP A 112 -27.973 -1.920 9.796 1.00 0.00 C ATOM 1673 OD1 ASP A 112 -27.136 -2.530 10.501 1.00 0.00 O ATOM 1674 OD2 ASP A 112 -28.981 -2.479 9.315 1.00 0.00 O ATOM 0 H ASP A 112 -26.950 1.848 8.792 1.00 0.00 H new ATOM 0 HA ASP A 112 -25.748 -0.801 8.885 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -27.556 0.074 10.456 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -28.668 -0.017 9.104 1.00 0.00 H new ATOM 1679 N ASP A 113 -26.009 -0.633 6.260 1.00 0.00 N ATOM 1680 CA ASP A 113 -26.233 -0.904 4.846 1.00 0.00 C ATOM 1681 C ASP A 113 -26.656 -2.348 4.616 1.00 0.00 C ATOM 1682 O ASP A 113 -26.408 -3.224 5.449 1.00 0.00 O ATOM 1683 CB ASP A 113 -24.965 -0.606 4.046 1.00 0.00 C ATOM 1684 CG ASP A 113 -25.242 -0.448 2.566 1.00 0.00 C ATOM 1685 OD1 ASP A 113 -26.405 -0.176 2.196 1.00 0.00 O ATOM 1686 OD2 ASP A 113 -24.295 -0.575 1.764 1.00 0.00 O ATOM 0 H ASP A 113 -25.034 -0.455 6.501 1.00 0.00 H new ATOM 0 HA ASP A 113 -27.040 -0.254 4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -24.504 0.306 4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -24.247 -1.412 4.195 1.00 0.00 H new ATOM 1691 N GLU A 114 -27.250 -2.596 3.459 1.00 0.00 N ATOM 1692 CA GLU A 114 -27.661 -3.932 3.074 1.00 0.00 C ATOM 1693 C GLU A 114 -26.593 -4.565 2.194 1.00 0.00 C ATOM 1694 O GLU A 114 -26.210 -3.938 1.182 1.00 0.00 O ATOM 1695 CB GLU A 114 -28.996 -3.879 2.331 1.00 0.00 C ATOM 1696 CG GLU A 114 -29.681 -5.231 2.195 1.00 0.00 C ATOM 1697 CD GLU A 114 -29.655 -5.759 0.774 1.00 0.00 C ATOM 1698 OE1 GLU A 114 -30.045 -5.016 -0.148 1.00 0.00 O ATOM 1699 OE2 GLU A 114 -29.247 -6.925 0.572 1.00 0.00 O ATOM 1700 OXT GLU A 114 -26.130 -5.678 2.522 1.00 0.00 O ATOM 0 H GLU A 114 -27.459 -1.878 2.765 1.00 0.00 H new ATOM 0 HA GLU A 114 -27.787 -4.539 3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -29.665 -3.195 2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -28.831 -3.465 1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -29.193 -5.949 2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -30.715 -5.145 2.528 1.00 0.00 H new TER 1707 GLU A 114 HETATM 1708 ZN ZN A 115 -5.578 -10.060 -0.911 1.00 0.00 ZN HETATM 1709 ZN ZN A 116 10.638 -3.806 4.443 1.00 0.00 ZN