USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 733 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 10 HIS HD1 : A 10 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 75 ASN : amide:sc= -2.19! C(o=-7.5!,f=-17!) USER MOD Set 1.2: A 77 THR OG1 : rot 80:sc= -5.28! USER MOD Set 2.1: A 39 ASN : amide:sc= 0.521 K(o=-1.3,f=-1.8) USER MOD Set 2.2: A 56 SER OG : rot -140:sc= -1.83 USER MOD Set 3.1: A 31 GLN : amide:sc= -5.32! C(o=-7.2!,f=-7.6!) USER MOD Set 3.2: A 32 SER OG : rot -161:sc= -1.9! USER MOD Single : A 1 MET CE :methyl -159:sc= -0.14 (180deg=-1.3) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0646 (180deg=-0.258) USER MOD Single : A 4 SER OG : rot -170:sc= -0.386 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= -2.77! (180deg=-3.85!) USER MOD Single : A 26 SER OG : rot -50:sc= -0.778 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0808 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.701! USER MOD Single : A 45 GLN : amide:sc= -3.62 K(o=-3.6,f=-5.2!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.498 USER MOD Single : A 62 THR OG1 : rot -57:sc= -0.232! USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= 0.19 (180deg=-0.679!) USER MOD Single : A 69 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.578) USER MOD Single : A 71 ASN : amide:sc= -1.47! C(o=-1.5!,f=-6!) USER MOD Single : A 73 THR OG1 : rot 20:sc= -0.122 USER MOD Single : A 78 THR OG1 : rot -100:sc= -3.02! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -125:sc= -1.56 (180deg=-3.98!) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.903 F(o=-1.8!,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.743 -2.920 -2.640 1.00 0.00 N ATOM 2 CA MET A 1 18.365 -2.970 -1.199 1.00 0.00 C ATOM 3 C MET A 1 17.865 -1.594 -0.754 1.00 0.00 C ATOM 4 O MET A 1 17.155 -1.466 0.224 1.00 0.00 O ATOM 5 CB MET A 1 19.586 -3.367 -0.365 1.00 0.00 C ATOM 6 CG MET A 1 19.135 -3.819 1.026 1.00 0.00 C ATOM 7 SD MET A 1 20.532 -3.730 2.173 1.00 0.00 S ATOM 8 CE MET A 1 21.712 -4.663 1.167 1.00 0.00 C ATOM 0 H1 MET A 1 18.904 -3.886 -2.990 1.00 0.00 H new ATOM 0 H2 MET A 1 17.976 -2.477 -3.185 1.00 0.00 H new ATOM 0 H3 MET A 1 19.614 -2.362 -2.751 1.00 0.00 H new ATOM 0 HA MET A 1 17.574 -3.706 -1.056 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.131 -4.171 -0.860 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.270 -2.523 -0.280 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.320 -3.187 1.379 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.751 -4.838 0.982 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.505 -5.053 1.805 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.199 -5.491 0.679 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.144 -4.007 0.411 1.00 0.00 H new ATOM 18 N GLY A 2 18.232 -0.562 -1.465 1.00 0.00 N ATOM 19 CA GLY A 2 17.777 0.807 -1.084 1.00 0.00 C ATOM 20 C GLY A 2 18.734 1.392 -0.042 1.00 0.00 C ATOM 21 O GLY A 2 19.558 0.696 0.517 1.00 0.00 O ATOM 0 H GLY A 2 18.827 -0.607 -2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 2 17.744 1.449 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 2 16.765 0.766 -0.681 1.00 0.00 H new ATOM 25 N ASP A 3 18.631 2.667 0.223 1.00 0.00 N ATOM 26 CA ASP A 3 19.536 3.294 1.230 1.00 0.00 C ATOM 27 C ASP A 3 18.908 4.589 1.748 1.00 0.00 C ATOM 28 O ASP A 3 19.593 5.478 2.214 1.00 0.00 O ATOM 29 CB ASP A 3 20.884 3.608 0.577 1.00 0.00 C ATOM 30 CG ASP A 3 21.598 2.303 0.221 1.00 0.00 C ATOM 31 OD1 ASP A 3 21.702 2.010 -0.958 1.00 0.00 O ATOM 32 OD2 ASP A 3 22.029 1.619 1.134 1.00 0.00 O ATOM 0 H ASP A 3 17.961 3.300 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 3 19.685 2.605 2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 3 20.734 4.209 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 3 21.500 4.198 1.256 1.00 0.00 H new ATOM 37 N SER A 4 17.608 4.704 1.670 1.00 0.00 N ATOM 38 CA SER A 4 16.930 5.944 2.156 1.00 0.00 C ATOM 39 C SER A 4 16.287 5.671 3.521 1.00 0.00 C ATOM 40 O SER A 4 16.578 4.687 4.171 1.00 0.00 O ATOM 41 CB SER A 4 15.853 6.358 1.144 1.00 0.00 C ATOM 42 OG SER A 4 15.740 5.352 0.145 1.00 0.00 O ATOM 0 H SER A 4 16.985 3.992 1.290 1.00 0.00 H new ATOM 0 HA SER A 4 17.658 6.749 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 4 14.897 6.496 1.648 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.113 7.313 0.688 1.00 0.00 H new ATOM 0 HG SER A 4 15.173 5.678 -0.585 1.00 0.00 H new ATOM 48 N ARG A 5 15.411 6.539 3.956 1.00 0.00 N ATOM 49 CA ARG A 5 14.736 6.340 5.274 1.00 0.00 C ATOM 50 C ARG A 5 13.269 5.982 5.028 1.00 0.00 C ATOM 51 O ARG A 5 12.743 5.038 5.585 1.00 0.00 O ATOM 52 CB ARG A 5 14.818 7.634 6.100 1.00 0.00 C ATOM 53 CG ARG A 5 15.900 8.552 5.525 1.00 0.00 C ATOM 54 CD ARG A 5 16.007 9.813 6.384 1.00 0.00 C ATOM 55 NE ARG A 5 14.668 10.459 6.487 1.00 0.00 N ATOM 56 CZ ARG A 5 14.572 11.705 6.863 1.00 0.00 C ATOM 57 NH1 ARG A 5 13.398 12.270 6.951 1.00 0.00 N ATOM 58 NH2 ARG A 5 15.647 12.386 7.152 1.00 0.00 N ATOM 0 H ARG A 5 15.133 7.381 3.453 1.00 0.00 H new ATOM 0 HA ARG A 5 15.228 5.537 5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.854 8.143 6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.044 7.398 7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.858 8.033 5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.657 8.819 4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.377 9.559 7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.724 10.506 5.944 1.00 0.00 H new ATOM 0 HE ARG A 5 13.827 9.927 6.264 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.558 11.738 6.726 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.321 13.244 7.245 1.00 0.00 H new ATOM 0 HH21 ARG A 5 16.564 11.945 7.084 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.570 13.360 7.446 1.00 0.00 H new ATOM 72 N ASP A 6 12.607 6.732 4.190 1.00 0.00 N ATOM 73 CA ASP A 6 11.176 6.449 3.893 1.00 0.00 C ATOM 74 C ASP A 6 11.067 5.132 3.120 1.00 0.00 C ATOM 75 O ASP A 6 10.097 4.410 3.238 1.00 0.00 O ATOM 76 CB ASP A 6 10.606 7.598 3.048 1.00 0.00 C ATOM 77 CG ASP A 6 9.270 8.061 3.636 1.00 0.00 C ATOM 78 OD1 ASP A 6 8.548 7.219 4.143 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.997 9.248 3.573 1.00 0.00 O ATOM 0 H ASP A 6 12.999 7.533 3.696 1.00 0.00 H new ATOM 0 HA ASP A 6 10.612 6.364 4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.311 8.429 3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.466 7.270 2.018 1.00 0.00 H new ATOM 84 N LEU A 7 12.052 4.817 2.324 1.00 0.00 N ATOM 85 CA LEU A 7 11.999 3.551 1.542 1.00 0.00 C ATOM 86 C LEU A 7 12.015 2.355 2.504 1.00 0.00 C ATOM 87 O LEU A 7 12.498 2.446 3.615 1.00 0.00 O ATOM 88 CB LEU A 7 13.191 3.516 0.552 1.00 0.00 C ATOM 89 CG LEU A 7 14.364 2.643 1.051 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.770 3.030 2.484 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.992 1.149 0.985 1.00 0.00 C ATOM 0 H LEU A 7 12.890 5.381 2.182 1.00 0.00 H new ATOM 0 HA LEU A 7 11.078 3.496 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.846 3.137 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.547 4.532 0.385 1.00 0.00 H new ATOM 0 HG LEU A 7 15.217 2.820 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.598 2.400 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.079 4.075 2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.921 2.889 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.830 0.549 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.121 0.963 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.762 0.877 -0.045 1.00 0.00 H new ATOM 103 N CYS A 8 11.481 1.235 2.085 1.00 0.00 N ATOM 104 CA CYS A 8 11.460 0.021 2.962 1.00 0.00 C ATOM 105 C CYS A 8 12.138 -1.132 2.212 1.00 0.00 C ATOM 106 O CYS A 8 12.254 -1.110 1.005 1.00 0.00 O ATOM 107 CB CYS A 8 10.003 -0.351 3.321 1.00 0.00 C ATOM 108 SG CYS A 8 9.616 -2.033 2.739 1.00 0.00 S ATOM 0 H CYS A 8 11.055 1.108 1.167 1.00 0.00 H new ATOM 0 HA CYS A 8 11.996 0.221 3.890 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.861 -0.291 4.400 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.316 0.364 2.869 1.00 0.00 H new ATOM 113 N PRO A 9 12.591 -2.129 2.920 1.00 0.00 N ATOM 114 CA PRO A 9 13.279 -3.310 2.311 1.00 0.00 C ATOM 115 C PRO A 9 12.436 -3.935 1.200 1.00 0.00 C ATOM 116 O PRO A 9 12.866 -4.078 0.073 1.00 0.00 O ATOM 117 CB PRO A 9 13.423 -4.291 3.489 1.00 0.00 C ATOM 118 CG PRO A 9 12.480 -3.783 4.528 1.00 0.00 C ATOM 119 CD PRO A 9 12.491 -2.271 4.372 1.00 0.00 C ATOM 0 HA PRO A 9 14.230 -3.044 1.850 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.170 -5.308 3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.447 -4.313 3.862 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.478 -4.187 4.381 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.799 -4.078 5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.586 -1.811 4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.334 -1.811 4.888 1.00 0.00 H new ATOM 127 N HIS A 10 11.232 -4.300 1.525 1.00 0.00 N ATOM 128 CA HIS A 10 10.327 -4.917 0.511 1.00 0.00 C ATOM 129 C HIS A 10 9.753 -3.819 -0.386 1.00 0.00 C ATOM 130 O HIS A 10 8.985 -4.076 -1.289 1.00 0.00 O ATOM 131 CB HIS A 10 9.186 -5.664 1.225 1.00 0.00 C ATOM 132 CG HIS A 10 9.695 -6.231 2.521 1.00 0.00 C ATOM 133 ND1 HIS A 10 9.730 -5.491 3.705 1.00 0.00 N ATOM 134 CD2 HIS A 10 10.197 -7.469 2.835 1.00 0.00 C ATOM 135 CE1 HIS A 10 10.240 -6.297 4.657 1.00 0.00 C ATOM 136 NE2 HIS A 10 10.538 -7.505 4.179 1.00 0.00 N ATOM 0 H HIS A 10 10.829 -4.198 2.456 1.00 0.00 H new ATOM 0 HA HIS A 10 10.887 -5.626 -0.100 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.354 -4.985 1.414 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.806 -6.464 0.589 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.309 -8.290 2.142 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.389 -6.000 5.684 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.934 -8.291 4.694 1.00 0.00 H new ATOM 144 N LEU A 11 10.126 -2.595 -0.139 1.00 0.00 N ATOM 145 CA LEU A 11 9.610 -1.468 -0.966 1.00 0.00 C ATOM 146 C LEU A 11 10.228 -1.526 -2.362 1.00 0.00 C ATOM 147 O LEU A 11 9.628 -1.117 -3.336 1.00 0.00 O ATOM 148 CB LEU A 11 9.979 -0.148 -0.285 1.00 0.00 C ATOM 149 CG LEU A 11 9.161 1.013 -0.879 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.667 1.934 0.244 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.035 1.816 -1.851 1.00 0.00 C ATOM 0 H LEU A 11 10.770 -2.325 0.604 1.00 0.00 H new ATOM 0 HA LEU A 11 8.527 -1.542 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.793 -0.221 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.044 0.048 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 11 8.302 0.606 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.089 2.753 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.038 1.366 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.522 2.338 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.453 2.637 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.897 2.217 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.376 1.165 -2.656 1.00 0.00 H new ATOM 163 N ASP A 12 11.422 -2.033 -2.470 1.00 0.00 N ATOM 164 CA ASP A 12 12.078 -2.122 -3.804 1.00 0.00 C ATOM 165 C ASP A 12 11.617 -3.397 -4.512 1.00 0.00 C ATOM 166 O ASP A 12 11.729 -3.527 -5.716 1.00 0.00 O ATOM 167 CB ASP A 12 13.594 -2.171 -3.616 1.00 0.00 C ATOM 168 CG ASP A 12 14.273 -2.343 -4.976 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.949 -1.420 -5.399 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.107 -3.395 -5.570 1.00 0.00 O ATOM 0 H ASP A 12 11.974 -2.391 -1.691 1.00 0.00 H new ATOM 0 HA ASP A 12 11.808 -1.253 -4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.941 -1.255 -3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.863 -2.996 -2.957 1.00 0.00 H new ATOM 175 N SER A 13 11.109 -4.345 -3.772 1.00 0.00 N ATOM 176 CA SER A 13 10.652 -5.619 -4.400 1.00 0.00 C ATOM 177 C SER A 13 9.248 -5.448 -4.989 1.00 0.00 C ATOM 178 O SER A 13 8.836 -6.198 -5.851 1.00 0.00 O ATOM 179 CB SER A 13 10.625 -6.722 -3.340 1.00 0.00 C ATOM 180 OG SER A 13 10.476 -7.983 -3.980 1.00 0.00 O ATOM 0 H SER A 13 10.990 -4.293 -2.760 1.00 0.00 H new ATOM 0 HA SER A 13 11.341 -5.887 -5.201 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.545 -6.704 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.803 -6.554 -2.645 1.00 0.00 H new ATOM 0 HG SER A 13 10.460 -8.693 -3.304 1.00 0.00 H new ATOM 186 N ILE A 14 8.505 -4.477 -4.532 1.00 0.00 N ATOM 187 CA ILE A 14 7.126 -4.281 -5.072 1.00 0.00 C ATOM 188 C ILE A 14 7.177 -3.447 -6.355 1.00 0.00 C ATOM 189 O ILE A 14 6.168 -2.960 -6.824 1.00 0.00 O ATOM 190 CB ILE A 14 6.279 -3.546 -4.041 1.00 0.00 C ATOM 191 CG1 ILE A 14 7.019 -2.292 -3.583 1.00 0.00 C ATOM 192 CG2 ILE A 14 6.028 -4.457 -2.836 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.059 -1.381 -2.812 1.00 0.00 C ATOM 0 H ILE A 14 8.790 -3.813 -3.812 1.00 0.00 H new ATOM 0 HA ILE A 14 6.690 -5.256 -5.290 1.00 0.00 H new ATOM 0 HB ILE A 14 5.324 -3.267 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.863 -2.566 -2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.426 -1.762 -4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.422 -3.928 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.502 -5.355 -3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.981 -4.737 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.589 -0.486 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.230 -1.096 -3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.674 -1.912 -1.941 1.00 0.00 H new ATOM 205 N GLY A 15 8.340 -3.279 -6.928 1.00 0.00 N ATOM 206 CA GLY A 15 8.452 -2.476 -8.186 1.00 0.00 C ATOM 207 C GLY A 15 7.542 -1.244 -8.106 1.00 0.00 C ATOM 208 O GLY A 15 7.306 -0.704 -7.043 1.00 0.00 O ATOM 0 H GLY A 15 9.219 -3.663 -6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.486 -2.165 -8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.174 -3.088 -9.044 1.00 0.00 H new ATOM 212 N GLU A 16 7.026 -0.799 -9.224 1.00 0.00 N ATOM 213 CA GLU A 16 6.128 0.395 -9.221 1.00 0.00 C ATOM 214 C GLU A 16 4.913 0.117 -10.112 1.00 0.00 C ATOM 215 O GLU A 16 4.970 0.253 -11.318 1.00 0.00 O ATOM 216 CB GLU A 16 6.892 1.619 -9.752 1.00 0.00 C ATOM 217 CG GLU A 16 5.908 2.755 -10.097 1.00 0.00 C ATOM 218 CD GLU A 16 5.609 2.750 -11.599 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.542 2.585 -12.369 1.00 0.00 O ATOM 220 OE2 GLU A 16 4.455 2.914 -11.954 1.00 0.00 O ATOM 0 H GLU A 16 7.189 -1.213 -10.142 1.00 0.00 H new ATOM 0 HA GLU A 16 5.794 0.597 -8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.607 1.962 -9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.464 1.343 -10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.983 2.630 -9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.332 3.716 -9.805 1.00 0.00 H new ATOM 227 N VAL A 17 3.813 -0.264 -9.524 1.00 0.00 N ATOM 228 CA VAL A 17 2.591 -0.542 -10.330 1.00 0.00 C ATOM 229 C VAL A 17 2.127 0.764 -10.985 1.00 0.00 C ATOM 230 O VAL A 17 2.744 1.797 -10.818 1.00 0.00 O ATOM 231 CB VAL A 17 1.496 -1.089 -9.403 1.00 0.00 C ATOM 232 CG1 VAL A 17 1.004 0.026 -8.477 1.00 0.00 C ATOM 233 CG2 VAL A 17 0.318 -1.628 -10.229 1.00 0.00 C ATOM 0 H VAL A 17 3.707 -0.395 -8.518 1.00 0.00 H new ATOM 0 HA VAL A 17 2.802 -1.279 -11.105 1.00 0.00 H new ATOM 0 HB VAL A 17 1.912 -1.903 -8.808 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.227 -0.364 -7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.836 0.394 -7.877 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.598 0.843 -9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.451 -2.013 -9.559 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.099 -0.824 -10.836 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.667 -2.430 -10.879 1.00 0.00 H new ATOM 243 N THR A 18 1.053 0.738 -11.725 1.00 0.00 N ATOM 244 CA THR A 18 0.577 1.992 -12.374 1.00 0.00 C ATOM 245 C THR A 18 0.170 2.986 -11.288 1.00 0.00 C ATOM 246 O THR A 18 -0.555 2.660 -10.372 1.00 0.00 O ATOM 247 CB THR A 18 -0.631 1.673 -13.273 1.00 0.00 C ATOM 248 OG1 THR A 18 -0.995 0.311 -13.104 1.00 0.00 O ATOM 249 CG2 THR A 18 -0.267 1.923 -14.740 1.00 0.00 C ATOM 0 H THR A 18 0.488 -0.091 -11.908 1.00 0.00 H new ATOM 0 HA THR A 18 1.371 2.424 -12.984 1.00 0.00 H new ATOM 0 HB THR A 18 -1.467 2.315 -12.995 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.765 0.105 -13.674 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.126 1.696 -15.372 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.014 2.968 -14.872 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.570 1.284 -15.021 1.00 0.00 H new ATOM 257 N LYS A 19 0.621 4.203 -11.389 1.00 0.00 N ATOM 258 CA LYS A 19 0.243 5.213 -10.365 1.00 0.00 C ATOM 259 C LYS A 19 -1.277 5.300 -10.373 1.00 0.00 C ATOM 260 O LYS A 19 -1.929 5.124 -9.366 1.00 0.00 O ATOM 261 CB LYS A 19 0.869 6.576 -10.707 1.00 0.00 C ATOM 262 CG LYS A 19 1.851 6.417 -11.879 1.00 0.00 C ATOM 263 CD LYS A 19 2.942 7.497 -11.808 1.00 0.00 C ATOM 264 CE LYS A 19 4.192 6.921 -11.134 1.00 0.00 C ATOM 265 NZ LYS A 19 5.124 8.029 -10.782 1.00 0.00 N ATOM 0 H LYS A 19 1.232 4.541 -12.132 1.00 0.00 H new ATOM 0 HA LYS A 19 0.606 4.928 -9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.088 7.290 -10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.389 6.977 -9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.307 5.427 -11.849 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.315 6.493 -12.825 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.186 7.848 -12.811 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.579 8.359 -11.248 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.912 6.369 -10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.686 6.215 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.972 7.637 -10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.400 8.538 -11.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.651 8.686 -10.129 1.00 0.00 H new ATOM 279 N GLU A 20 -1.843 5.530 -11.524 1.00 0.00 N ATOM 280 CA GLU A 20 -3.317 5.579 -11.628 1.00 0.00 C ATOM 281 C GLU A 20 -3.871 4.371 -10.881 1.00 0.00 C ATOM 282 O GLU A 20 -4.930 4.417 -10.298 1.00 0.00 O ATOM 283 CB GLU A 20 -3.727 5.527 -13.097 1.00 0.00 C ATOM 284 CG GLU A 20 -5.210 5.163 -13.221 1.00 0.00 C ATOM 285 CD GLU A 20 -5.558 4.938 -14.694 1.00 0.00 C ATOM 286 OE1 GLU A 20 -6.734 4.816 -14.993 1.00 0.00 O ATOM 287 OE2 GLU A 20 -4.641 4.892 -15.498 1.00 0.00 O ATOM 0 H GLU A 20 -1.341 5.686 -12.398 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.708 6.500 -11.197 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.542 6.492 -13.568 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.120 4.792 -13.626 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.424 4.263 -12.644 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.827 5.961 -12.808 1.00 0.00 H new ATOM 294 N ASP A 21 -3.144 3.288 -10.882 1.00 0.00 N ATOM 295 CA ASP A 21 -3.621 2.085 -10.150 1.00 0.00 C ATOM 296 C ASP A 21 -3.871 2.491 -8.703 1.00 0.00 C ATOM 297 O ASP A 21 -4.813 2.061 -8.079 1.00 0.00 O ATOM 298 CB ASP A 21 -2.565 0.974 -10.214 1.00 0.00 C ATOM 299 CG ASP A 21 -3.246 -0.391 -10.104 1.00 0.00 C ATOM 300 OD1 ASP A 21 -4.100 -0.674 -10.928 1.00 0.00 O ATOM 301 OD2 ASP A 21 -2.904 -1.131 -9.196 1.00 0.00 O ATOM 0 H ASP A 21 -2.246 3.185 -11.355 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.537 1.704 -10.601 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.010 1.040 -11.150 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.844 1.098 -9.406 1.00 0.00 H new ATOM 306 N LEU A 22 -3.045 3.347 -8.178 1.00 0.00 N ATOM 307 CA LEU A 22 -3.251 3.809 -6.780 1.00 0.00 C ATOM 308 C LEU A 22 -4.386 4.825 -6.787 1.00 0.00 C ATOM 309 O LEU A 22 -5.020 5.089 -5.785 1.00 0.00 O ATOM 310 CB LEU A 22 -1.971 4.460 -6.241 1.00 0.00 C ATOM 311 CG LEU A 22 -0.745 3.759 -6.828 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.525 4.373 -6.237 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.790 2.269 -6.487 1.00 0.00 C ATOM 0 H LEU A 22 -2.237 3.747 -8.655 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.498 2.964 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.954 5.519 -6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.951 4.397 -5.153 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.744 3.884 -7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.399 3.874 -6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.563 5.435 -6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.519 4.249 -5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.085 1.773 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.794 2.143 -5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.694 1.827 -6.906 1.00 0.00 H new ATOM 325 N LEU A 23 -4.637 5.394 -7.927 1.00 0.00 N ATOM 326 CA LEU A 23 -5.719 6.398 -8.053 1.00 0.00 C ATOM 327 C LEU A 23 -7.070 5.680 -8.139 1.00 0.00 C ATOM 328 O LEU A 23 -7.986 5.995 -7.407 1.00 0.00 O ATOM 329 CB LEU A 23 -5.450 7.225 -9.314 1.00 0.00 C ATOM 330 CG LEU A 23 -4.026 7.809 -9.244 1.00 0.00 C ATOM 331 CD1 LEU A 23 -3.834 8.839 -10.369 1.00 0.00 C ATOM 332 CD2 LEU A 23 -3.804 8.498 -7.891 1.00 0.00 C ATOM 0 H LEU A 23 -4.129 5.202 -8.790 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.746 7.059 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.557 6.601 -10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.182 8.029 -9.399 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.308 6.997 -9.359 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.826 9.251 -10.317 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.979 8.354 -11.335 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.561 9.643 -10.254 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.794 8.907 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.527 9.305 -7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.932 7.772 -7.088 1.00 0.00 H new ATOM 344 N LEU A 24 -7.209 4.697 -8.995 1.00 0.00 N ATOM 345 CA LEU A 24 -8.509 3.980 -9.049 1.00 0.00 C ATOM 346 C LEU A 24 -8.694 3.253 -7.734 1.00 0.00 C ATOM 347 O LEU A 24 -9.743 3.310 -7.147 1.00 0.00 O ATOM 348 CB LEU A 24 -8.560 2.980 -10.210 1.00 0.00 C ATOM 349 CG LEU A 24 -7.508 1.871 -10.049 1.00 0.00 C ATOM 350 CD1 LEU A 24 -8.153 0.623 -9.433 1.00 0.00 C ATOM 351 CD2 LEU A 24 -6.957 1.502 -11.431 1.00 0.00 C ATOM 0 H LEU A 24 -6.493 4.369 -9.643 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.309 4.702 -9.213 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.553 2.535 -10.264 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.395 3.505 -11.151 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.708 2.228 -9.400 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.401 -0.158 -9.322 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.565 0.871 -8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.952 0.268 -10.084 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.210 0.716 -11.327 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.770 1.148 -12.064 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.499 2.380 -11.886 1.00 0.00 H new ATOM 363 N LYS A 25 -7.677 2.596 -7.242 1.00 0.00 N ATOM 364 CA LYS A 25 -7.826 1.902 -5.936 1.00 0.00 C ATOM 365 C LYS A 25 -8.444 2.901 -4.957 1.00 0.00 C ATOM 366 O LYS A 25 -9.341 2.584 -4.202 1.00 0.00 O ATOM 367 CB LYS A 25 -6.451 1.443 -5.450 1.00 0.00 C ATOM 368 CG LYS A 25 -5.893 0.389 -6.420 1.00 0.00 C ATOM 369 CD LYS A 25 -6.428 -1.002 -6.069 1.00 0.00 C ATOM 370 CE LYS A 25 -5.709 -2.058 -6.920 1.00 0.00 C ATOM 371 NZ LYS A 25 -5.196 -1.430 -8.170 1.00 0.00 N ATOM 0 H LYS A 25 -6.761 2.512 -7.684 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.465 1.023 -6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.772 2.293 -5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.529 1.025 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.171 0.644 -7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.804 0.387 -6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.273 -1.206 -5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.502 -1.046 -6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.885 -2.494 -6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.394 -2.870 -7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.149 -2.145 -8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.835 -0.663 -8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.246 -1.043 -8.000 1.00 0.00 H new ATOM 385 N SER A 26 -7.989 4.124 -5.010 1.00 0.00 N ATOM 386 CA SER A 26 -8.556 5.184 -4.138 1.00 0.00 C ATOM 387 C SER A 26 -9.977 5.487 -4.624 1.00 0.00 C ATOM 388 O SER A 26 -10.580 6.471 -4.245 1.00 0.00 O ATOM 389 CB SER A 26 -7.703 6.453 -4.273 1.00 0.00 C ATOM 390 OG SER A 26 -7.898 7.276 -3.131 1.00 0.00 O ATOM 0 H SER A 26 -7.240 4.434 -5.629 1.00 0.00 H new ATOM 0 HA SER A 26 -8.566 4.858 -3.098 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.650 6.188 -4.369 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.979 6.995 -5.177 1.00 0.00 H new ATOM 0 HG SER A 26 -8.858 7.392 -2.971 1.00 0.00 H new ATOM 396 N LYS A 27 -10.498 4.664 -5.499 1.00 0.00 N ATOM 397 CA LYS A 27 -11.857 4.922 -6.053 1.00 0.00 C ATOM 398 C LYS A 27 -12.844 5.240 -4.929 1.00 0.00 C ATOM 399 O LYS A 27 -13.552 6.226 -4.998 1.00 0.00 O ATOM 400 CB LYS A 27 -12.349 3.716 -6.870 1.00 0.00 C ATOM 401 CG LYS A 27 -11.884 2.390 -6.244 1.00 0.00 C ATOM 402 CD LYS A 27 -12.976 1.332 -6.410 1.00 0.00 C ATOM 403 CE LYS A 27 -13.166 1.040 -7.900 1.00 0.00 C ATOM 404 NZ LYS A 27 -14.219 0.001 -8.075 1.00 0.00 N ATOM 0 H LYS A 27 -10.039 3.825 -5.852 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.796 5.785 -6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.437 3.732 -6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.976 3.789 -7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.963 2.054 -6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.661 2.534 -5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.700 0.420 -5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.911 1.684 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.449 1.952 -8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.228 0.698 -8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.347 -0.196 -9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.931 -0.871 -7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.115 0.344 -7.673 1.00 0.00 H new ATOM 418 N GLY A 28 -12.906 4.451 -3.887 1.00 0.00 N ATOM 419 CA GLY A 28 -13.857 4.786 -2.796 1.00 0.00 C ATOM 420 C GLY A 28 -14.404 3.531 -2.137 1.00 0.00 C ATOM 421 O GLY A 28 -15.284 3.610 -1.309 1.00 0.00 O ATOM 0 H GLY A 28 -12.350 3.607 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.356 5.402 -2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.680 5.377 -3.197 1.00 0.00 H new ATOM 425 N THR A 29 -13.930 2.369 -2.484 1.00 0.00 N ATOM 426 CA THR A 29 -14.495 1.161 -1.827 1.00 0.00 C ATOM 427 C THR A 29 -13.549 -0.047 -1.935 1.00 0.00 C ATOM 428 O THR A 29 -12.833 -0.213 -2.903 1.00 0.00 O ATOM 429 CB THR A 29 -15.829 0.828 -2.499 1.00 0.00 C ATOM 430 OG1 THR A 29 -15.979 1.631 -3.661 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.994 1.099 -1.540 1.00 0.00 C ATOM 0 H THR A 29 -13.197 2.205 -3.174 1.00 0.00 H new ATOM 0 HA THR A 29 -14.633 1.373 -0.767 1.00 0.00 H new ATOM 0 HB THR A 29 -15.836 -0.228 -2.770 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.831 1.421 -4.096 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.935 0.857 -2.033 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.883 0.482 -0.649 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.994 2.151 -1.255 1.00 0.00 H new ATOM 439 N CYS A 30 -13.592 -0.914 -0.953 1.00 0.00 N ATOM 440 CA CYS A 30 -12.756 -2.155 -0.982 1.00 0.00 C ATOM 441 C CYS A 30 -13.216 -2.988 -2.178 1.00 0.00 C ATOM 442 O CYS A 30 -14.390 -3.024 -2.491 1.00 0.00 O ATOM 443 CB CYS A 30 -12.978 -2.956 0.311 1.00 0.00 C ATOM 444 SG CYS A 30 -11.942 -4.448 0.294 1.00 0.00 S ATOM 0 H CYS A 30 -14.177 -0.814 -0.124 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.698 -1.905 -1.064 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.733 -2.341 1.177 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.028 -3.232 0.403 1.00 0.00 H new ATOM 449 N GLN A 31 -12.326 -3.648 -2.863 1.00 0.00 N ATOM 450 CA GLN A 31 -12.775 -4.449 -4.038 1.00 0.00 C ATOM 451 C GLN A 31 -13.358 -5.783 -3.572 1.00 0.00 C ATOM 452 O GLN A 31 -14.013 -6.475 -4.326 1.00 0.00 O ATOM 453 CB GLN A 31 -11.608 -4.701 -4.995 1.00 0.00 C ATOM 454 CG GLN A 31 -10.423 -5.328 -4.254 1.00 0.00 C ATOM 455 CD GLN A 31 -10.698 -6.811 -3.996 1.00 0.00 C ATOM 456 OE1 GLN A 31 -11.585 -7.389 -4.593 1.00 0.00 O ATOM 457 NE2 GLN A 31 -9.969 -7.454 -3.127 1.00 0.00 N ATOM 0 H GLN A 31 -11.325 -3.670 -2.667 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.545 -3.885 -4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.929 -5.361 -5.801 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.300 -3.762 -5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.513 -5.215 -4.843 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.258 -4.810 -3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.225 -6.968 -2.627 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.143 -8.443 -2.948 1.00 0.00 H new ATOM 466 N SER A 32 -13.132 -6.152 -2.339 1.00 0.00 N ATOM 467 CA SER A 32 -13.681 -7.444 -1.834 1.00 0.00 C ATOM 468 C SER A 32 -14.735 -7.174 -0.755 1.00 0.00 C ATOM 469 O SER A 32 -15.467 -8.061 -0.362 1.00 0.00 O ATOM 470 CB SER A 32 -12.549 -8.284 -1.243 1.00 0.00 C ATOM 471 OG SER A 32 -11.756 -8.807 -2.300 1.00 0.00 O ATOM 0 H SER A 32 -12.592 -5.615 -1.661 1.00 0.00 H new ATOM 0 HA SER A 32 -14.143 -7.985 -2.660 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.936 -7.674 -0.579 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.958 -9.097 -0.642 1.00 0.00 H new ATOM 0 HG SER A 32 -11.232 -9.567 -1.971 1.00 0.00 H new ATOM 477 N CYS A 33 -14.817 -5.961 -0.267 1.00 0.00 N ATOM 478 CA CYS A 33 -15.827 -5.647 0.792 1.00 0.00 C ATOM 479 C CYS A 33 -16.680 -4.449 0.372 1.00 0.00 C ATOM 480 O CYS A 33 -17.769 -4.256 0.874 1.00 0.00 O ATOM 481 CB CYS A 33 -15.116 -5.319 2.108 1.00 0.00 C ATOM 482 SG CYS A 33 -13.970 -6.650 2.523 1.00 0.00 S ATOM 0 H CYS A 33 -14.231 -5.177 -0.554 1.00 0.00 H new ATOM 0 HA CYS A 33 -16.469 -6.517 0.928 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.577 -4.376 2.017 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -15.847 -5.192 2.907 1.00 0.00 H new ATOM 487 N GLY A 34 -16.204 -3.629 -0.528 1.00 0.00 N ATOM 488 CA GLY A 34 -17.017 -2.447 -0.934 1.00 0.00 C ATOM 489 C GLY A 34 -17.435 -1.695 0.329 1.00 0.00 C ATOM 490 O GLY A 34 -18.592 -1.671 0.700 1.00 0.00 O ATOM 0 H GLY A 34 -15.301 -3.724 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.439 -1.796 -1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.896 -2.765 -1.495 1.00 0.00 H new ATOM 494 N VAL A 35 -16.484 -1.117 1.014 1.00 0.00 N ATOM 495 CA VAL A 35 -16.793 -0.401 2.287 1.00 0.00 C ATOM 496 C VAL A 35 -16.779 1.124 2.103 1.00 0.00 C ATOM 497 O VAL A 35 -17.706 1.796 2.503 1.00 0.00 O ATOM 498 CB VAL A 35 -15.750 -0.803 3.334 1.00 0.00 C ATOM 499 CG1 VAL A 35 -15.758 -2.329 3.494 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.362 -0.342 2.876 1.00 0.00 C ATOM 0 H VAL A 35 -15.500 -1.110 0.745 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.796 -0.681 2.610 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.989 -0.334 4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.017 -2.621 4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.746 -2.656 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.516 -2.796 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.619 -0.628 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.119 -0.811 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.359 0.742 2.758 1.00 0.00 H new ATOM 510 N THR A 36 -15.746 1.685 1.519 1.00 0.00 N ATOM 511 CA THR A 36 -15.703 3.169 1.349 1.00 0.00 C ATOM 512 C THR A 36 -14.289 3.591 0.953 1.00 0.00 C ATOM 513 O THR A 36 -13.425 2.766 0.753 1.00 0.00 O ATOM 514 CB THR A 36 -16.080 3.871 2.661 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.721 5.244 2.574 1.00 0.00 O ATOM 516 CG2 THR A 36 -15.333 3.228 3.833 1.00 0.00 C ATOM 0 H THR A 36 -14.937 1.181 1.156 1.00 0.00 H new ATOM 0 HA THR A 36 -16.415 3.453 0.574 1.00 0.00 H new ATOM 0 HB THR A 36 -17.153 3.775 2.825 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.961 5.698 3.409 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.607 3.733 4.760 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.601 2.174 3.901 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.259 3.319 3.674 1.00 0.00 H new ATOM 524 N GLY A 37 -14.055 4.871 0.830 1.00 0.00 N ATOM 525 CA GLY A 37 -12.703 5.363 0.435 1.00 0.00 C ATOM 526 C GLY A 37 -11.853 5.640 1.672 1.00 0.00 C ATOM 527 O GLY A 37 -10.858 4.986 1.911 1.00 0.00 O ATOM 0 H GLY A 37 -14.749 5.602 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.209 4.622 -0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.799 6.272 -0.158 1.00 0.00 H new ATOM 531 N PRO A 38 -12.221 6.618 2.450 1.00 0.00 N ATOM 532 CA PRO A 38 -11.458 6.975 3.664 1.00 0.00 C ATOM 533 C PRO A 38 -11.069 5.745 4.477 1.00 0.00 C ATOM 534 O PRO A 38 -11.886 4.903 4.797 1.00 0.00 O ATOM 535 CB PRO A 38 -12.391 7.885 4.470 1.00 0.00 C ATOM 536 CG PRO A 38 -13.665 8.010 3.679 1.00 0.00 C ATOM 537 CD PRO A 38 -13.385 7.485 2.267 1.00 0.00 C ATOM 0 HA PRO A 38 -10.519 7.465 3.408 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.587 7.462 5.455 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.936 8.863 4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.465 7.438 4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.994 9.049 3.643 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -14.237 6.935 1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.175 8.297 1.571 1.00 0.00 H new ATOM 545 N ASN A 39 -9.823 5.650 4.810 1.00 0.00 N ATOM 546 CA ASN A 39 -9.332 4.493 5.608 1.00 0.00 C ATOM 547 C ASN A 39 -9.200 3.251 4.725 1.00 0.00 C ATOM 548 O ASN A 39 -9.183 2.139 5.214 1.00 0.00 O ATOM 549 CB ASN A 39 -10.307 4.200 6.756 1.00 0.00 C ATOM 550 CG ASN A 39 -9.530 3.756 7.997 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.784 4.226 9.088 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.585 2.864 7.877 1.00 0.00 N ATOM 0 H ASN A 39 -9.107 6.333 4.562 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.353 4.745 6.015 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.894 5.090 6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.010 3.422 6.458 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.061 2.562 8.699 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.370 2.468 6.962 1.00 0.00 H new ATOM 559 N LEU A 40 -9.089 3.415 3.437 1.00 0.00 N ATOM 560 CA LEU A 40 -8.939 2.213 2.566 1.00 0.00 C ATOM 561 C LEU A 40 -7.485 1.744 2.648 1.00 0.00 C ATOM 562 O LEU A 40 -6.651 2.382 3.258 1.00 0.00 O ATOM 563 CB LEU A 40 -9.279 2.549 1.100 1.00 0.00 C ATOM 564 CG LEU A 40 -10.776 2.355 0.798 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.984 2.476 -0.713 1.00 0.00 C ATOM 566 CD2 LEU A 40 -11.251 0.965 1.252 1.00 0.00 C ATOM 0 H LEU A 40 -9.095 4.313 2.954 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.622 1.435 2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.997 3.581 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.690 1.916 0.437 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.347 3.112 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.040 2.341 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.661 3.462 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.399 1.711 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.312 0.852 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.685 0.197 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.094 0.859 2.325 1.00 0.00 H new ATOM 578 N TRP A 41 -7.172 0.641 2.035 1.00 0.00 N ATOM 579 CA TRP A 41 -5.769 0.140 2.075 1.00 0.00 C ATOM 580 C TRP A 41 -5.563 -0.868 0.943 1.00 0.00 C ATOM 581 O TRP A 41 -5.826 -2.046 1.087 1.00 0.00 O ATOM 582 CB TRP A 41 -5.492 -0.518 3.437 1.00 0.00 C ATOM 583 CG TRP A 41 -4.311 0.138 4.086 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.123 0.367 3.484 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.186 0.655 5.445 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.275 0.989 4.383 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.885 1.188 5.606 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.064 0.712 6.540 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.472 1.757 6.811 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.652 1.284 7.755 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.358 1.806 7.890 1.00 0.00 C ATOM 0 H TRP A 41 -7.825 0.062 1.507 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.076 0.971 1.944 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.368 -0.429 4.079 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.301 -1.583 3.305 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.875 0.107 2.466 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.317 1.266 4.169 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.063 0.313 6.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.474 2.157 6.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.336 1.322 8.590 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.047 2.245 8.826 1.00 0.00 H new ATOM 602 N ALA A 42 -5.113 -0.406 -0.189 1.00 0.00 N ATOM 603 CA ALA A 42 -4.907 -1.318 -1.342 1.00 0.00 C ATOM 604 C ALA A 42 -3.519 -1.947 -1.305 1.00 0.00 C ATOM 605 O ALA A 42 -2.542 -1.319 -0.950 1.00 0.00 O ATOM 606 CB ALA A 42 -5.047 -0.523 -2.636 1.00 0.00 C ATOM 0 H ALA A 42 -4.878 0.571 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.653 -2.111 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.897 -1.186 -3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.044 -0.085 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.300 0.271 -2.658 1.00 0.00 H new ATOM 612 N CYS A 43 -3.428 -3.184 -1.708 1.00 0.00 N ATOM 613 CA CYS A 43 -2.110 -3.866 -1.744 1.00 0.00 C ATOM 614 C CYS A 43 -1.210 -3.101 -2.714 1.00 0.00 C ATOM 615 O CYS A 43 -1.689 -2.458 -3.626 1.00 0.00 O ATOM 616 CB CYS A 43 -2.297 -5.302 -2.229 1.00 0.00 C ATOM 617 SG CYS A 43 -0.930 -6.321 -1.631 1.00 0.00 S ATOM 0 H CYS A 43 -4.217 -3.753 -2.015 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.659 -3.887 -0.752 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.246 -5.699 -1.868 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.335 -5.328 -3.318 1.00 0.00 H new ATOM 622 N LEU A 44 0.081 -3.136 -2.521 1.00 0.00 N ATOM 623 CA LEU A 44 0.978 -2.373 -3.437 1.00 0.00 C ATOM 624 C LEU A 44 2.146 -3.240 -3.920 1.00 0.00 C ATOM 625 O LEU A 44 3.264 -2.779 -4.001 1.00 0.00 O ATOM 626 CB LEU A 44 1.519 -1.154 -2.685 1.00 0.00 C ATOM 627 CG LEU A 44 2.099 -0.138 -3.680 1.00 0.00 C ATOM 628 CD1 LEU A 44 0.971 0.499 -4.503 1.00 0.00 C ATOM 629 CD2 LEU A 44 2.846 0.955 -2.910 1.00 0.00 C ATOM 0 H LEU A 44 0.550 -3.654 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 44 0.408 -2.062 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.721 -0.691 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.289 -1.464 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 44 2.785 -0.651 -4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.394 1.218 -5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.440 -0.277 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.277 1.009 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.259 1.678 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.156 1.460 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.655 0.506 -2.334 1.00 0.00 H new ATOM 641 N GLN A 45 1.910 -4.482 -4.264 1.00 0.00 N ATOM 642 CA GLN A 45 3.035 -5.331 -4.763 1.00 0.00 C ATOM 643 C GLN A 45 3.093 -5.235 -6.291 1.00 0.00 C ATOM 644 O GLN A 45 2.078 -5.163 -6.956 1.00 0.00 O ATOM 645 CB GLN A 45 2.840 -6.795 -4.341 1.00 0.00 C ATOM 646 CG GLN A 45 1.922 -6.867 -3.123 1.00 0.00 C ATOM 647 CD GLN A 45 2.699 -6.435 -1.878 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.592 -5.307 -1.443 1.00 0.00 O ATOM 649 NE2 GLN A 45 3.482 -7.293 -1.282 1.00 0.00 N ATOM 0 H GLN A 45 1.000 -4.940 -4.222 1.00 0.00 H new ATOM 0 HA GLN A 45 3.970 -4.973 -4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.411 -7.366 -5.165 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.804 -7.247 -4.108 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.056 -6.221 -3.267 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.545 -7.882 -2.997 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.572 -8.241 -1.648 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.004 -7.015 -0.451 1.00 0.00 H new ATOM 658 N VAL A 46 4.273 -5.214 -6.852 1.00 0.00 N ATOM 659 CA VAL A 46 4.399 -5.103 -8.339 1.00 0.00 C ATOM 660 C VAL A 46 3.453 -6.084 -9.043 1.00 0.00 C ATOM 661 O VAL A 46 3.322 -6.055 -10.251 1.00 0.00 O ATOM 662 CB VAL A 46 5.841 -5.409 -8.763 1.00 0.00 C ATOM 663 CG1 VAL A 46 6.296 -6.730 -8.139 1.00 0.00 C ATOM 664 CG2 VAL A 46 5.916 -5.515 -10.292 1.00 0.00 C ATOM 0 H VAL A 46 5.157 -5.269 -6.346 1.00 0.00 H new ATOM 0 HA VAL A 46 4.133 -4.086 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 46 6.492 -4.605 -8.421 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.321 -6.942 -8.444 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.248 -6.655 -7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.643 -7.535 -8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.941 -5.732 -10.592 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.260 -6.316 -10.634 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.600 -4.572 -10.738 1.00 0.00 H new ATOM 674 N ALA A 47 2.801 -6.959 -8.323 1.00 0.00 N ATOM 675 CA ALA A 47 1.888 -7.929 -9.001 1.00 0.00 C ATOM 676 C ALA A 47 0.653 -8.209 -8.140 1.00 0.00 C ATOM 677 O ALA A 47 0.230 -9.340 -8.008 1.00 0.00 O ATOM 678 CB ALA A 47 2.639 -9.239 -9.245 1.00 0.00 C ATOM 0 H ALA A 47 2.859 -7.045 -7.308 1.00 0.00 H new ATOM 0 HA ALA A 47 1.562 -7.498 -9.947 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.978 -9.951 -9.739 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.506 -9.049 -9.878 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.969 -9.652 -8.292 1.00 0.00 H new ATOM 684 N CYS A 48 0.060 -7.199 -7.561 1.00 0.00 N ATOM 685 CA CYS A 48 -1.153 -7.440 -6.727 1.00 0.00 C ATOM 686 C CYS A 48 -2.103 -6.242 -6.807 1.00 0.00 C ATOM 687 O CYS A 48 -2.119 -5.398 -5.932 1.00 0.00 O ATOM 688 CB CYS A 48 -0.741 -7.651 -5.274 1.00 0.00 C ATOM 689 SG CYS A 48 -2.078 -8.503 -4.405 1.00 0.00 S ATOM 0 H CYS A 48 0.360 -6.226 -7.628 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.663 -8.327 -7.103 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.176 -8.238 -5.224 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.532 -6.693 -4.798 1.00 0.00 H new ATOM 694 N PRO A 49 -2.900 -6.173 -7.839 1.00 0.00 N ATOM 695 CA PRO A 49 -3.876 -5.070 -8.022 1.00 0.00 C ATOM 696 C PRO A 49 -5.217 -5.369 -7.338 1.00 0.00 C ATOM 697 O PRO A 49 -6.039 -6.096 -7.857 1.00 0.00 O ATOM 698 CB PRO A 49 -4.046 -5.023 -9.538 1.00 0.00 C ATOM 699 CG PRO A 49 -3.849 -6.438 -9.997 1.00 0.00 C ATOM 700 CD PRO A 49 -2.956 -7.130 -8.953 1.00 0.00 C ATOM 0 HA PRO A 49 -3.537 -4.132 -7.583 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.034 -4.653 -9.813 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.317 -4.355 -9.996 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.806 -6.951 -10.086 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.381 -6.462 -10.981 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.377 -8.085 -8.638 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.963 -7.336 -9.352 1.00 0.00 H new ATOM 708 N TYR A 50 -5.442 -4.801 -6.183 1.00 0.00 N ATOM 709 CA TYR A 50 -6.722 -5.030 -5.454 1.00 0.00 C ATOM 710 C TYR A 50 -6.808 -4.016 -4.313 1.00 0.00 C ATOM 711 O TYR A 50 -5.844 -3.797 -3.606 1.00 0.00 O ATOM 712 CB TYR A 50 -6.743 -6.447 -4.868 1.00 0.00 C ATOM 713 CG TYR A 50 -6.935 -7.459 -5.973 1.00 0.00 C ATOM 714 CD1 TYR A 50 -5.868 -8.278 -6.366 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.177 -7.579 -6.608 1.00 0.00 C ATOM 716 CE1 TYR A 50 -6.045 -9.216 -7.390 1.00 0.00 C ATOM 717 CE2 TYR A 50 -8.353 -8.517 -7.632 1.00 0.00 C ATOM 718 CZ TYR A 50 -7.287 -9.335 -8.024 1.00 0.00 C ATOM 719 OH TYR A 50 -7.461 -10.259 -9.034 1.00 0.00 O ATOM 0 H TYR A 50 -4.785 -4.181 -5.709 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.564 -4.916 -6.137 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.810 -6.645 -4.340 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.548 -6.536 -4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.909 -8.186 -5.879 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.000 -6.947 -6.308 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.223 -9.848 -7.691 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.312 -8.610 -8.120 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.382 -10.212 -9.365 1.00 0.00 H new ATOM 729 N VAL A 51 -7.939 -3.389 -4.120 1.00 0.00 N ATOM 730 CA VAL A 51 -8.043 -2.390 -3.017 1.00 0.00 C ATOM 731 C VAL A 51 -8.771 -3.010 -1.823 1.00 0.00 C ATOM 732 O VAL A 51 -9.964 -3.221 -1.840 1.00 0.00 O ATOM 733 CB VAL A 51 -8.779 -1.139 -3.507 1.00 0.00 C ATOM 734 CG1 VAL A 51 -10.001 -1.540 -4.334 1.00 0.00 C ATOM 735 CG2 VAL A 51 -9.213 -0.284 -2.310 1.00 0.00 C ATOM 0 H VAL A 51 -8.786 -3.523 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.041 -2.098 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.105 -0.555 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.518 -0.644 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.681 -2.127 -5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.677 -2.135 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.736 0.603 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.878 -0.864 -1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.334 0.017 -1.740 1.00 0.00 H new ATOM 745 N GLY A 52 -8.041 -3.309 -0.785 1.00 0.00 N ATOM 746 CA GLY A 52 -8.658 -3.928 0.418 1.00 0.00 C ATOM 747 C GLY A 52 -9.179 -2.847 1.367 1.00 0.00 C ATOM 748 O GLY A 52 -9.175 -1.674 1.056 1.00 0.00 O ATOM 0 H GLY A 52 -7.036 -3.149 -0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.476 -4.583 0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.924 -4.549 0.932 1.00 0.00 H new ATOM 752 N CYS A 53 -9.634 -3.246 2.525 1.00 0.00 N ATOM 753 CA CYS A 53 -10.171 -2.270 3.514 1.00 0.00 C ATOM 754 C CYS A 53 -9.123 -1.955 4.557 1.00 0.00 C ATOM 755 O CYS A 53 -8.096 -2.595 4.669 1.00 0.00 O ATOM 756 CB CYS A 53 -11.342 -2.883 4.301 1.00 0.00 C ATOM 757 SG CYS A 53 -11.307 -4.687 4.157 1.00 0.00 S ATOM 0 H CYS A 53 -9.656 -4.219 2.830 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.476 -1.387 2.952 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.278 -2.592 5.350 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.288 -2.498 3.921 1.00 0.00 H new ATOM 762 N GLY A 54 -9.458 -1.017 5.376 1.00 0.00 N ATOM 763 CA GLY A 54 -8.608 -0.654 6.524 1.00 0.00 C ATOM 764 C GLY A 54 -9.492 -0.942 7.726 1.00 0.00 C ATOM 765 O GLY A 54 -10.693 -1.025 7.577 1.00 0.00 O ATOM 0 H GLY A 54 -10.314 -0.468 5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.693 -1.245 6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.310 0.394 6.487 1.00 0.00 H new ATOM 769 N GLU A 55 -8.950 -1.134 8.889 1.00 0.00 N ATOM 770 CA GLU A 55 -9.825 -1.446 10.065 1.00 0.00 C ATOM 771 C GLU A 55 -11.225 -0.912 9.824 1.00 0.00 C ATOM 772 O GLU A 55 -12.209 -1.537 10.163 1.00 0.00 O ATOM 773 CB GLU A 55 -9.260 -0.792 11.313 1.00 0.00 C ATOM 774 CG GLU A 55 -9.420 0.728 11.220 1.00 0.00 C ATOM 775 CD GLU A 55 -8.514 1.403 12.253 1.00 0.00 C ATOM 776 OE1 GLU A 55 -7.368 0.997 12.360 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.981 2.312 12.918 1.00 0.00 O ATOM 0 H GLU A 55 -7.950 -1.091 9.085 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.862 -2.527 10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.776 -1.168 12.197 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.207 -1.050 11.425 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.164 1.070 10.217 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.459 1.006 11.396 1.00 0.00 H new ATOM 784 N SER A 56 -11.309 0.231 9.213 1.00 0.00 N ATOM 785 CA SER A 56 -12.634 0.825 8.897 1.00 0.00 C ATOM 786 C SER A 56 -13.648 -0.302 8.704 1.00 0.00 C ATOM 787 O SER A 56 -14.765 -0.239 9.178 1.00 0.00 O ATOM 788 CB SER A 56 -12.514 1.625 7.602 1.00 0.00 C ATOM 789 OG SER A 56 -12.555 3.013 7.907 1.00 0.00 O ATOM 0 H SER A 56 -10.507 0.787 8.915 1.00 0.00 H new ATOM 0 HA SER A 56 -12.960 1.477 9.707 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.582 1.379 7.093 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.326 1.365 6.923 1.00 0.00 H new ATOM 0 HG SER A 56 -13.088 3.481 7.231 1.00 0.00 H new ATOM 795 N PHE A 57 -13.251 -1.343 8.015 1.00 0.00 N ATOM 796 CA PHE A 57 -14.176 -2.493 7.796 1.00 0.00 C ATOM 797 C PHE A 57 -13.586 -3.745 8.431 1.00 0.00 C ATOM 798 O PHE A 57 -13.768 -4.016 9.601 1.00 0.00 O ATOM 799 CB PHE A 57 -14.355 -2.743 6.303 1.00 0.00 C ATOM 800 CG PHE A 57 -15.250 -3.944 6.104 1.00 0.00 C ATOM 801 CD1 PHE A 57 -14.745 -5.109 5.512 1.00 0.00 C ATOM 802 CD2 PHE A 57 -16.588 -3.894 6.517 1.00 0.00 C ATOM 803 CE1 PHE A 57 -15.576 -6.221 5.331 1.00 0.00 C ATOM 804 CE2 PHE A 57 -17.419 -5.006 6.335 1.00 0.00 C ATOM 805 CZ PHE A 57 -16.913 -6.169 5.743 1.00 0.00 C ATOM 0 H PHE A 57 -12.327 -1.444 7.596 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.141 -2.260 8.247 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.792 -1.866 5.825 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.387 -2.914 5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.713 -5.149 5.195 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -16.978 -2.998 6.976 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.186 -7.118 4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -18.451 -4.966 6.652 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.554 -7.027 5.604 1.00 0.00 H new ATOM 815 N ALA A 58 -12.872 -4.503 7.652 1.00 0.00 N ATOM 816 CA ALA A 58 -12.238 -5.751 8.169 1.00 0.00 C ATOM 817 C ALA A 58 -10.730 -5.629 7.988 1.00 0.00 C ATOM 818 O ALA A 58 -9.968 -6.496 8.367 1.00 0.00 O ATOM 819 CB ALA A 58 -12.756 -6.955 7.378 1.00 0.00 C ATOM 0 H ALA A 58 -12.696 -4.311 6.666 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.481 -5.890 9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.292 -7.866 7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.838 -7.025 7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.507 -6.832 6.324 1.00 0.00 H new ATOM 825 N ASP A 59 -10.302 -4.546 7.407 1.00 0.00 N ATOM 826 CA ASP A 59 -8.851 -4.326 7.184 1.00 0.00 C ATOM 827 C ASP A 59 -8.247 -5.503 6.421 1.00 0.00 C ATOM 828 O ASP A 59 -7.385 -6.195 6.926 1.00 0.00 O ATOM 829 CB ASP A 59 -8.136 -4.170 8.529 1.00 0.00 C ATOM 830 CG ASP A 59 -6.642 -3.956 8.290 1.00 0.00 C ATOM 831 OD1 ASP A 59 -5.862 -4.757 8.775 1.00 0.00 O ATOM 832 OD2 ASP A 59 -6.303 -2.988 7.629 1.00 0.00 O ATOM 0 H ASP A 59 -10.905 -3.794 7.073 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.723 -3.417 6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.552 -3.325 9.078 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.294 -5.057 9.142 1.00 0.00 H new ATOM 837 N HIS A 60 -8.664 -5.726 5.197 1.00 0.00 N ATOM 838 CA HIS A 60 -8.064 -6.845 4.415 1.00 0.00 C ATOM 839 C HIS A 60 -6.552 -6.745 4.586 1.00 0.00 C ATOM 840 O HIS A 60 -5.824 -7.699 4.447 1.00 0.00 O ATOM 841 CB HIS A 60 -8.417 -6.697 2.923 1.00 0.00 C ATOM 842 CG HIS A 60 -9.433 -7.732 2.512 1.00 0.00 C ATOM 843 ND1 HIS A 60 -10.725 -7.398 2.099 1.00 0.00 N ATOM 844 CD2 HIS A 60 -9.356 -9.099 2.438 1.00 0.00 C ATOM 845 CE1 HIS A 60 -11.354 -8.552 1.805 1.00 0.00 C ATOM 846 NE2 HIS A 60 -10.566 -9.610 1.992 1.00 0.00 N ATOM 0 H HIS A 60 -9.384 -5.188 4.714 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.443 -7.805 4.765 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.811 -5.698 2.734 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.516 -6.804 2.318 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.486 -9.688 2.689 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.375 -8.613 1.459 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.803 -10.590 1.839 1.00 0.00 H new ATOM 854 N SER A 61 -6.093 -5.570 4.898 1.00 0.00 N ATOM 855 CA SER A 61 -4.635 -5.346 5.094 1.00 0.00 C ATOM 856 C SER A 61 -4.025 -6.480 5.920 1.00 0.00 C ATOM 857 O SER A 61 -2.875 -6.833 5.743 1.00 0.00 O ATOM 858 CB SER A 61 -4.445 -4.020 5.833 1.00 0.00 C ATOM 859 OG SER A 61 -3.199 -3.446 5.461 1.00 0.00 O ATOM 0 H SER A 61 -6.674 -4.742 5.028 1.00 0.00 H new ATOM 0 HA SER A 61 -4.138 -5.319 4.124 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.259 -3.337 5.592 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.475 -4.184 6.910 1.00 0.00 H new ATOM 0 HG SER A 61 -3.077 -2.596 5.932 1.00 0.00 H new ATOM 865 N THR A 62 -4.770 -7.046 6.827 1.00 0.00 N ATOM 866 CA THR A 62 -4.208 -8.139 7.662 1.00 0.00 C ATOM 867 C THR A 62 -4.424 -9.489 6.992 1.00 0.00 C ATOM 868 O THR A 62 -3.488 -10.164 6.627 1.00 0.00 O ATOM 869 CB THR A 62 -4.911 -8.169 9.016 1.00 0.00 C ATOM 870 OG1 THR A 62 -5.675 -6.984 9.183 1.00 0.00 O ATOM 871 CG2 THR A 62 -3.883 -8.285 10.143 1.00 0.00 C ATOM 0 H THR A 62 -5.740 -6.799 7.025 1.00 0.00 H new ATOM 0 HA THR A 62 -3.141 -7.953 7.787 1.00 0.00 H new ATOM 0 HB THR A 62 -5.572 -9.035 9.053 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.091 -6.202 9.091 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.397 -8.305 11.104 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.309 -9.203 10.019 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.209 -7.429 10.110 1.00 0.00 H new ATOM 879 N ILE A 63 -5.658 -9.903 6.862 1.00 0.00 N ATOM 880 CA ILE A 63 -5.922 -11.231 6.253 1.00 0.00 C ATOM 881 C ILE A 63 -5.306 -11.282 4.857 1.00 0.00 C ATOM 882 O ILE A 63 -4.821 -12.304 4.415 1.00 0.00 O ATOM 883 CB ILE A 63 -7.421 -11.490 6.163 1.00 0.00 C ATOM 884 CG1 ILE A 63 -8.103 -10.259 5.587 1.00 0.00 C ATOM 885 CG2 ILE A 63 -7.980 -11.786 7.557 1.00 0.00 C ATOM 886 CD1 ILE A 63 -9.489 -10.634 5.063 1.00 0.00 C ATOM 0 H ILE A 63 -6.485 -9.380 7.150 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.474 -12.001 6.881 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.607 -12.349 5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.190 -9.488 6.353 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.500 -9.841 4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.052 -11.970 7.487 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.486 -12.667 7.968 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.800 -10.932 8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.974 -9.749 4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.391 -11.390 4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -10.092 -11.031 5.880 1.00 0.00 H new ATOM 898 N HIS A 64 -5.320 -10.183 4.163 1.00 0.00 N ATOM 899 CA HIS A 64 -4.733 -10.155 2.795 1.00 0.00 C ATOM 900 C HIS A 64 -3.211 -10.238 2.902 1.00 0.00 C ATOM 901 O HIS A 64 -2.570 -10.967 2.172 1.00 0.00 O ATOM 902 CB HIS A 64 -5.116 -8.861 2.078 1.00 0.00 C ATOM 903 CG HIS A 64 -4.510 -8.877 0.707 1.00 0.00 C ATOM 904 ND1 HIS A 64 -5.273 -9.028 -0.442 1.00 0.00 N ATOM 905 CD2 HIS A 64 -3.209 -8.790 0.288 1.00 0.00 C ATOM 906 CE1 HIS A 64 -4.426 -9.032 -1.488 1.00 0.00 C ATOM 907 NE2 HIS A 64 -3.157 -8.892 -1.096 1.00 0.00 N ATOM 0 H HIS A 64 -5.714 -9.298 4.484 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.117 -11.002 2.226 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.200 -8.772 2.011 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.759 -7.997 2.639 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.288 -9.119 -0.486 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.354 -8.662 0.935 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.735 -9.136 -2.518 1.00 0.00 H new ATOM 915 N ALA A 65 -2.626 -9.520 3.823 1.00 0.00 N ATOM 916 CA ALA A 65 -1.146 -9.599 3.979 1.00 0.00 C ATOM 917 C ALA A 65 -0.848 -10.927 4.656 1.00 0.00 C ATOM 918 O ALA A 65 0.244 -11.448 4.623 1.00 0.00 O ATOM 919 CB ALA A 65 -0.651 -8.446 4.857 1.00 0.00 C ATOM 0 H ALA A 65 -3.103 -8.889 4.467 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.645 -9.527 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.432 -8.511 4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.913 -7.496 4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.119 -8.510 5.839 1.00 0.00 H new ATOM 925 N GLN A 66 -1.849 -11.447 5.286 1.00 0.00 N ATOM 926 CA GLN A 66 -1.751 -12.732 6.018 1.00 0.00 C ATOM 927 C GLN A 66 -1.939 -13.910 5.053 1.00 0.00 C ATOM 928 O GLN A 66 -1.379 -14.973 5.237 1.00 0.00 O ATOM 929 CB GLN A 66 -2.898 -12.707 7.022 1.00 0.00 C ATOM 930 CG GLN A 66 -3.155 -14.078 7.649 1.00 0.00 C ATOM 931 CD GLN A 66 -2.325 -14.231 8.927 1.00 0.00 C ATOM 932 OE1 GLN A 66 -1.036 -14.030 8.881 1.00 0.00 O flip ATOM 933 NE2 GLN A 66 -2.855 -14.537 9.976 1.00 0.00 N flip ATOM 0 H GLN A 66 -2.773 -11.017 5.327 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.779 -12.851 6.497 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.673 -11.987 7.809 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.805 -12.362 6.525 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.215 -14.190 7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.897 -14.865 6.941 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.862 -14.694 10.012 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.293 -14.637 10.821 1.00 0.00 H new ATOM 942 N ALA A 67 -2.746 -13.735 4.045 1.00 0.00 N ATOM 943 CA ALA A 67 -3.008 -14.844 3.087 1.00 0.00 C ATOM 944 C ALA A 67 -1.979 -14.818 1.960 1.00 0.00 C ATOM 945 O ALA A 67 -1.484 -15.841 1.530 1.00 0.00 O ATOM 946 CB ALA A 67 -4.415 -14.681 2.502 1.00 0.00 C ATOM 0 H ALA A 67 -3.239 -12.865 3.842 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.933 -15.797 3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.613 -15.490 1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.149 -14.711 3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.485 -13.725 1.983 1.00 0.00 H new ATOM 952 N LYS A 68 -1.673 -13.654 1.466 1.00 0.00 N ATOM 953 CA LYS A 68 -0.694 -13.545 0.348 1.00 0.00 C ATOM 954 C LYS A 68 0.659 -13.100 0.892 1.00 0.00 C ATOM 955 O LYS A 68 1.606 -12.902 0.158 1.00 0.00 O ATOM 956 CB LYS A 68 -1.214 -12.524 -0.658 1.00 0.00 C ATOM 957 CG LYS A 68 -2.612 -12.949 -1.132 1.00 0.00 C ATOM 958 CD LYS A 68 -3.686 -12.230 -0.310 1.00 0.00 C ATOM 959 CE LYS A 68 -5.066 -12.529 -0.900 1.00 0.00 C ATOM 960 NZ LYS A 68 -6.066 -11.585 -0.329 1.00 0.00 N ATOM 0 H LYS A 68 -2.060 -12.767 1.789 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.573 -14.513 -0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.257 -11.535 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.535 -12.454 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.734 -12.714 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.727 -14.028 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.644 -12.558 0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.503 -11.156 -0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.038 -12.433 -1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.353 -13.557 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.915 -11.573 -0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.325 -11.892 0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.658 -10.629 -0.288 1.00 0.00 H new ATOM 974 N LYS A 69 0.752 -12.957 2.179 1.00 0.00 N ATOM 975 CA LYS A 69 2.036 -12.540 2.806 1.00 0.00 C ATOM 976 C LYS A 69 2.500 -11.195 2.232 1.00 0.00 C ATOM 977 O LYS A 69 3.636 -10.802 2.407 1.00 0.00 O ATOM 978 CB LYS A 69 3.105 -13.614 2.551 1.00 0.00 C ATOM 979 CG LYS A 69 3.131 -14.613 3.716 1.00 0.00 C ATOM 980 CD LYS A 69 1.706 -15.099 4.025 1.00 0.00 C ATOM 981 CE LYS A 69 1.761 -16.519 4.594 1.00 0.00 C ATOM 982 NZ LYS A 69 2.788 -16.582 5.672 1.00 0.00 N ATOM 0 H LYS A 69 -0.015 -13.112 2.834 1.00 0.00 H new ATOM 0 HA LYS A 69 1.885 -12.426 3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.893 -14.136 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.083 -13.146 2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.767 -15.462 3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.563 -14.143 4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.229 -14.428 4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.101 -15.082 3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.785 -16.802 4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.003 -17.230 3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.586 -17.388 6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.730 -16.701 5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.766 -15.701 6.224 1.00 0.00 H new ATOM 996 N HIS A 70 1.633 -10.467 1.578 1.00 0.00 N ATOM 997 CA HIS A 70 2.052 -9.135 1.043 1.00 0.00 C ATOM 998 C HIS A 70 2.160 -8.181 2.235 1.00 0.00 C ATOM 999 O HIS A 70 1.199 -7.955 2.942 1.00 0.00 O ATOM 1000 CB HIS A 70 1.015 -8.629 0.037 1.00 0.00 C ATOM 1001 CG HIS A 70 1.057 -9.503 -1.187 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -0.073 -9.784 -1.941 1.00 0.00 N ATOM 1003 CD2 HIS A 70 2.092 -10.170 -1.802 1.00 0.00 C ATOM 1004 CE1 HIS A 70 0.304 -10.587 -2.953 1.00 0.00 C ATOM 1005 NE2 HIS A 70 1.610 -10.850 -2.913 1.00 0.00 N ATOM 0 H HIS A 70 0.665 -10.731 1.392 1.00 0.00 H new ATOM 0 HA HIS A 70 3.009 -9.203 0.526 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.019 -8.648 0.480 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.224 -7.594 -0.232 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.120 -10.165 -1.472 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.369 -10.971 -3.705 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.143 -11.429 -3.562 1.00 0.00 H new ATOM 1013 N ASN A 71 3.326 -7.649 2.496 1.00 0.00 N ATOM 1014 CA ASN A 71 3.482 -6.754 3.677 1.00 0.00 C ATOM 1015 C ASN A 71 3.182 -5.301 3.308 1.00 0.00 C ATOM 1016 O ASN A 71 2.597 -4.567 4.079 1.00 0.00 O ATOM 1017 CB ASN A 71 4.918 -6.861 4.195 1.00 0.00 C ATOM 1018 CG ASN A 71 5.871 -7.109 3.024 1.00 0.00 C ATOM 1019 OD1 ASN A 71 6.288 -6.183 2.358 1.00 0.00 O ATOM 1020 ND2 ASN A 71 6.237 -8.330 2.744 1.00 0.00 N ATOM 0 H ASN A 71 4.172 -7.795 1.945 1.00 0.00 H new ATOM 0 HA ASN A 71 2.776 -7.064 4.447 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.196 -5.945 4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.995 -7.674 4.917 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.873 -8.506 1.966 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.887 -9.108 3.303 1.00 0.00 H new ATOM 1027 N LEU A 72 3.608 -4.867 2.158 1.00 0.00 N ATOM 1028 CA LEU A 72 3.388 -3.443 1.777 1.00 0.00 C ATOM 1029 C LEU A 72 2.016 -3.204 1.151 1.00 0.00 C ATOM 1030 O LEU A 72 1.567 -3.918 0.275 1.00 0.00 O ATOM 1031 CB LEU A 72 4.457 -3.028 0.777 1.00 0.00 C ATOM 1032 CG LEU A 72 5.818 -3.010 1.467 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.913 -2.964 0.407 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.934 -1.774 2.372 1.00 0.00 C ATOM 0 H LEU A 72 4.098 -5.433 1.465 1.00 0.00 H new ATOM 0 HA LEU A 72 3.442 -2.851 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.473 -3.721 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.229 -2.042 0.373 1.00 0.00 H new ATOM 0 HG LEU A 72 5.925 -3.908 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.889 -2.951 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.838 -3.843 -0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.796 -2.065 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.909 -1.770 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.826 -0.871 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.150 -1.802 3.129 1.00 0.00 H new ATOM 1046 N THR A 73 1.380 -2.154 1.587 1.00 0.00 N ATOM 1047 CA THR A 73 0.057 -1.755 1.039 1.00 0.00 C ATOM 1048 C THR A 73 -0.029 -0.235 1.186 1.00 0.00 C ATOM 1049 O THR A 73 0.728 0.345 1.934 1.00 0.00 O ATOM 1050 CB THR A 73 -1.067 -2.433 1.826 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.323 -1.947 1.370 1.00 0.00 O ATOM 1052 CG2 THR A 73 -0.908 -2.124 3.313 1.00 0.00 C ATOM 0 H THR A 73 1.733 -1.540 2.321 1.00 0.00 H new ATOM 0 HA THR A 73 -0.049 -2.056 -0.003 1.00 0.00 H new ATOM 0 HB THR A 73 -1.018 -3.511 1.674 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.218 -1.555 0.478 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.709 -2.607 3.873 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.055 -2.498 3.661 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.956 -1.046 3.468 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.908 0.431 0.486 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.958 1.923 0.617 1.00 0.00 C ATOM 1062 C VAL A 74 -2.344 2.393 1.048 1.00 0.00 C ATOM 1063 O VAL A 74 -3.353 2.029 0.475 1.00 0.00 O ATOM 1064 CB VAL A 74 -0.580 2.562 -0.725 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -1.290 1.827 -1.864 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -1.000 4.036 -0.738 1.00 0.00 C ATOM 0 H VAL A 74 -1.583 0.020 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.248 2.229 1.385 1.00 0.00 H new ATOM 0 HB VAL A 74 0.499 2.491 -0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.019 2.283 -2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.988 0.780 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.369 1.894 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.728 4.483 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.078 4.108 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.492 4.566 0.068 1.00 0.00 H new ATOM 1076 N ASN A 75 -2.383 3.220 2.059 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.679 3.754 2.554 1.00 0.00 C ATOM 1078 C ASN A 75 -4.082 4.942 1.683 1.00 0.00 C ATOM 1079 O ASN A 75 -3.604 6.044 1.857 1.00 0.00 O ATOM 1080 CB ASN A 75 -3.520 4.210 4.009 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.883 4.191 4.706 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.899 4.429 4.084 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.947 3.915 5.979 1.00 0.00 N ATOM 0 H ASN A 75 -1.562 3.550 2.566 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.447 2.982 2.505 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.824 3.554 4.532 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.098 5.214 4.042 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.850 3.899 6.453 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.094 3.715 6.501 1.00 0.00 H new ATOM 1090 N LEU A 76 -4.956 4.725 0.744 1.00 0.00 N ATOM 1091 CA LEU A 76 -5.390 5.837 -0.142 1.00 0.00 C ATOM 1092 C LEU A 76 -6.169 6.854 0.685 1.00 0.00 C ATOM 1093 O LEU A 76 -6.845 7.718 0.164 1.00 0.00 O ATOM 1094 CB LEU A 76 -6.263 5.268 -1.260 1.00 0.00 C ATOM 1095 CG LEU A 76 -5.603 3.991 -1.825 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -6.584 2.820 -1.756 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -5.179 4.208 -3.281 1.00 0.00 C ATOM 0 H LEU A 76 -5.390 3.822 0.551 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.527 6.332 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.258 5.038 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.388 6.007 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.722 3.765 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.110 1.924 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.871 2.646 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.472 3.054 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.716 3.299 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.055 4.450 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.464 5.029 -3.333 1.00 0.00 H new ATOM 1109 N THR A 77 -6.061 6.756 1.981 1.00 0.00 N ATOM 1110 CA THR A 77 -6.766 7.709 2.875 1.00 0.00 C ATOM 1111 C THR A 77 -5.798 8.822 3.260 1.00 0.00 C ATOM 1112 O THR A 77 -6.164 9.976 3.358 1.00 0.00 O ATOM 1113 CB THR A 77 -7.213 6.967 4.133 1.00 0.00 C ATOM 1114 OG1 THR A 77 -8.007 5.855 3.754 1.00 0.00 O ATOM 1115 CG2 THR A 77 -8.017 7.914 5.028 1.00 0.00 C ATOM 0 H THR A 77 -5.507 6.047 2.462 1.00 0.00 H new ATOM 0 HA THR A 77 -7.635 8.132 2.371 1.00 0.00 H new ATOM 0 HB THR A 77 -6.343 6.616 4.689 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.425 5.117 3.476 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.336 7.384 5.925 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.395 8.764 5.310 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.893 8.270 4.487 1.00 0.00 H new ATOM 1123 N THR A 78 -4.559 8.473 3.485 1.00 0.00 N ATOM 1124 CA THR A 78 -3.543 9.499 3.876 1.00 0.00 C ATOM 1125 C THR A 78 -2.391 9.535 2.867 1.00 0.00 C ATOM 1126 O THR A 78 -1.606 10.462 2.852 1.00 0.00 O ATOM 1127 CB THR A 78 -2.987 9.161 5.260 1.00 0.00 C ATOM 1128 OG1 THR A 78 -4.059 8.816 6.126 1.00 0.00 O ATOM 1129 CG2 THR A 78 -2.242 10.373 5.823 1.00 0.00 C ATOM 0 H THR A 78 -4.204 7.519 3.415 1.00 0.00 H new ATOM 0 HA THR A 78 -4.026 10.476 3.893 1.00 0.00 H new ATOM 0 HB THR A 78 -2.298 8.320 5.181 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.282 9.584 6.692 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.846 10.131 6.809 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.420 10.637 5.157 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.928 11.216 5.904 1.00 0.00 H new ATOM 1137 N PHE A 79 -2.283 8.544 2.024 1.00 0.00 N ATOM 1138 CA PHE A 79 -1.183 8.531 1.009 1.00 0.00 C ATOM 1139 C PHE A 79 0.135 8.070 1.648 1.00 0.00 C ATOM 1140 O PHE A 79 1.158 8.711 1.519 1.00 0.00 O ATOM 1141 CB PHE A 79 -1.006 9.935 0.413 1.00 0.00 C ATOM 1142 CG PHE A 79 -0.514 9.825 -1.012 1.00 0.00 C ATOM 1143 CD1 PHE A 79 -1.406 9.484 -2.036 1.00 0.00 C ATOM 1144 CD2 PHE A 79 0.833 10.064 -1.309 1.00 0.00 C ATOM 1145 CE1 PHE A 79 -0.951 9.381 -3.356 1.00 0.00 C ATOM 1146 CE2 PHE A 79 1.289 9.961 -2.629 1.00 0.00 C ATOM 1147 CZ PHE A 79 0.396 9.620 -3.653 1.00 0.00 C ATOM 0 H PHE A 79 -2.909 7.740 1.992 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.451 7.832 0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.953 10.474 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.296 10.507 1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.445 9.300 -1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.521 10.328 -0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.639 9.117 -4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.329 10.144 -2.857 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.747 9.541 -4.671 1.00 0.00 H new ATOM 1157 N ARG A 80 0.118 6.941 2.300 1.00 0.00 N ATOM 1158 CA ARG A 80 1.359 6.393 2.915 1.00 0.00 C ATOM 1159 C ARG A 80 1.311 4.878 2.755 1.00 0.00 C ATOM 1160 O ARG A 80 0.381 4.342 2.187 1.00 0.00 O ATOM 1161 CB ARG A 80 1.460 6.759 4.404 1.00 0.00 C ATOM 1162 CG ARG A 80 0.112 7.260 4.937 1.00 0.00 C ATOM 1163 CD ARG A 80 0.082 7.076 6.458 1.00 0.00 C ATOM 1164 NE ARG A 80 -1.184 7.626 7.024 1.00 0.00 N ATOM 1165 CZ ARG A 80 -2.197 6.836 7.276 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -3.285 7.322 7.808 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -2.129 5.563 6.988 1.00 0.00 N ATOM 0 H ARG A 80 -0.714 6.367 2.435 1.00 0.00 H new ATOM 0 HA ARG A 80 2.233 6.817 2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.781 5.888 4.976 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.219 7.529 4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.028 8.310 4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.706 6.708 4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.168 6.018 6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.938 7.579 6.908 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.261 8.625 7.216 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.345 8.316 8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.075 6.707 8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.284 5.180 6.565 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.921 4.952 7.187 1.00 0.00 H new ATOM 1181 N LEU A 81 2.299 4.180 3.230 1.00 0.00 N ATOM 1182 CA LEU A 81 2.297 2.699 3.078 1.00 0.00 C ATOM 1183 C LEU A 81 2.241 2.028 4.444 1.00 0.00 C ATOM 1184 O LEU A 81 2.231 2.669 5.474 1.00 0.00 O ATOM 1185 CB LEU A 81 3.574 2.266 2.342 1.00 0.00 C ATOM 1186 CG LEU A 81 3.300 2.124 0.837 1.00 0.00 C ATOM 1187 CD1 LEU A 81 4.493 2.674 0.044 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.082 0.645 0.467 1.00 0.00 C ATOM 0 H LEU A 81 3.107 4.568 3.716 1.00 0.00 H new ATOM 0 HA LEU A 81 1.420 2.399 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.363 2.999 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.930 1.318 2.745 1.00 0.00 H new ATOM 0 HG LEU A 81 2.400 2.687 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.298 2.573 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.638 3.726 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.391 2.114 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.889 0.562 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.973 0.071 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.229 0.253 1.021 1.00 0.00 H new ATOM 1200 N TRP A 82 2.213 0.732 4.437 1.00 0.00 N ATOM 1201 CA TRP A 82 2.168 -0.041 5.702 1.00 0.00 C ATOM 1202 C TRP A 82 2.779 -1.408 5.424 1.00 0.00 C ATOM 1203 O TRP A 82 2.223 -2.210 4.697 1.00 0.00 O ATOM 1204 CB TRP A 82 0.720 -0.203 6.166 1.00 0.00 C ATOM 1205 CG TRP A 82 0.684 -1.058 7.394 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.833 -2.402 7.408 1.00 0.00 C ATOM 1207 CD2 TRP A 82 0.490 -0.651 8.779 1.00 0.00 C ATOM 1208 NE1 TRP A 82 0.742 -2.848 8.715 1.00 0.00 N ATOM 1209 CE2 TRP A 82 0.531 -1.806 9.596 1.00 0.00 C ATOM 1210 CE3 TRP A 82 0.284 0.594 9.401 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 0.374 -1.729 10.981 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 0.125 0.675 10.795 1.00 0.00 C ATOM 1213 CH2 TRP A 82 0.170 -0.483 11.582 1.00 0.00 C ATOM 0 H TRP A 82 2.220 0.163 3.591 1.00 0.00 H new ATOM 0 HA TRP A 82 2.720 0.476 6.487 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.283 0.773 6.376 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.122 -0.657 5.376 1.00 0.00 H new ATOM 0 HD1 TRP A 82 0.996 -3.025 6.541 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.821 -3.826 8.993 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.248 1.493 8.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.410 -2.625 11.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.033 1.636 11.262 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.047 -0.413 12.653 1.00 0.00 H new ATOM 1224 N CYS A 83 3.927 -1.673 5.971 1.00 0.00 N ATOM 1225 CA CYS A 83 4.585 -2.976 5.716 1.00 0.00 C ATOM 1226 C CYS A 83 4.239 -3.958 6.823 1.00 0.00 C ATOM 1227 O CYS A 83 4.723 -3.839 7.920 1.00 0.00 O ATOM 1228 CB CYS A 83 6.099 -2.771 5.693 1.00 0.00 C ATOM 1229 SG CYS A 83 6.834 -3.881 4.474 1.00 0.00 S ATOM 0 H CYS A 83 4.439 -1.040 6.586 1.00 0.00 H new ATOM 0 HA CYS A 83 4.241 -3.372 4.761 1.00 0.00 H new ATOM 0 HB2 CYS A 83 6.333 -1.735 5.447 1.00 0.00 H new ATOM 0 HB3 CYS A 83 6.519 -2.967 6.680 1.00 0.00 H new ATOM 1234 N TYR A 84 3.439 -4.947 6.552 1.00 0.00 N ATOM 1235 CA TYR A 84 3.138 -5.931 7.623 1.00 0.00 C ATOM 1236 C TYR A 84 4.424 -6.715 7.875 1.00 0.00 C ATOM 1237 O TYR A 84 4.480 -7.608 8.695 1.00 0.00 O ATOM 1238 CB TYR A 84 2.013 -6.876 7.184 1.00 0.00 C ATOM 1239 CG TYR A 84 1.360 -7.484 8.402 1.00 0.00 C ATOM 1240 CD1 TYR A 84 0.344 -6.792 9.071 1.00 0.00 C ATOM 1241 CD2 TYR A 84 1.772 -8.740 8.862 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -0.261 -7.357 10.200 1.00 0.00 C ATOM 1243 CE2 TYR A 84 1.167 -9.305 9.991 1.00 0.00 C ATOM 1244 CZ TYR A 84 0.150 -8.613 10.661 1.00 0.00 C ATOM 1245 OH TYR A 84 -0.446 -9.170 11.773 1.00 0.00 O ATOM 0 H TYR A 84 2.988 -5.115 5.653 1.00 0.00 H new ATOM 0 HA TYR A 84 2.803 -5.428 8.530 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.274 -6.331 6.597 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.413 -7.661 6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.027 -5.822 8.716 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.557 -9.273 8.346 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.046 -6.823 10.716 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.484 -10.275 10.345 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.044 -10.045 11.956 1.00 0.00 H new ATOM 1255 N ALA A 85 5.471 -6.345 7.179 1.00 0.00 N ATOM 1256 CA ALA A 85 6.784 -7.011 7.368 1.00 0.00 C ATOM 1257 C ALA A 85 7.614 -6.097 8.264 1.00 0.00 C ATOM 1258 O ALA A 85 7.820 -6.376 9.428 1.00 0.00 O ATOM 1259 CB ALA A 85 7.490 -7.199 6.024 1.00 0.00 C ATOM 0 H ALA A 85 5.465 -5.601 6.482 1.00 0.00 H new ATOM 0 HA ALA A 85 6.655 -7.997 7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.451 -7.689 6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.872 -7.816 5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.651 -6.227 5.558 1.00 0.00 H new ATOM 1265 N CYS A 86 8.042 -4.967 7.751 1.00 0.00 N ATOM 1266 CA CYS A 86 8.785 -4.020 8.606 1.00 0.00 C ATOM 1267 C CYS A 86 7.798 -3.584 9.677 1.00 0.00 C ATOM 1268 O CYS A 86 8.141 -2.982 10.674 1.00 0.00 O ATOM 1269 CB CYS A 86 9.235 -2.809 7.780 1.00 0.00 C ATOM 1270 SG CYS A 86 10.178 -3.367 6.339 1.00 0.00 S ATOM 0 H CYS A 86 7.905 -4.672 6.784 1.00 0.00 H new ATOM 0 HA CYS A 86 9.679 -4.473 9.036 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.367 -2.234 7.458 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.847 -2.146 8.392 1.00 0.00 H new ATOM 1275 N GLU A 87 6.553 -3.914 9.451 1.00 0.00 N ATOM 1276 CA GLU A 87 5.476 -3.567 10.410 1.00 0.00 C ATOM 1277 C GLU A 87 5.583 -2.086 10.783 1.00 0.00 C ATOM 1278 O GLU A 87 5.816 -1.725 11.920 1.00 0.00 O ATOM 1279 CB GLU A 87 5.611 -4.473 11.636 1.00 0.00 C ATOM 1280 CG GLU A 87 4.353 -5.335 11.793 1.00 0.00 C ATOM 1281 CD GLU A 87 3.199 -4.468 12.297 1.00 0.00 C ATOM 1282 OE1 GLU A 87 2.953 -3.435 11.697 1.00 0.00 O ATOM 1283 OE2 GLU A 87 2.579 -4.851 13.277 1.00 0.00 O ATOM 0 H GLU A 87 6.237 -4.420 8.624 1.00 0.00 H new ATOM 0 HA GLU A 87 4.493 -3.724 9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.488 -5.111 11.532 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.761 -3.868 12.530 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.090 -5.790 10.838 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.542 -6.149 12.493 1.00 0.00 H new ATOM 1290 N LYS A 88 5.404 -1.227 9.816 1.00 0.00 N ATOM 1291 CA LYS A 88 5.481 0.238 10.081 1.00 0.00 C ATOM 1292 C LYS A 88 4.832 0.987 8.916 1.00 0.00 C ATOM 1293 O LYS A 88 4.325 0.386 7.993 1.00 0.00 O ATOM 1294 CB LYS A 88 6.946 0.659 10.204 1.00 0.00 C ATOM 1295 CG LYS A 88 7.759 -0.028 9.109 1.00 0.00 C ATOM 1296 CD LYS A 88 9.175 0.553 9.075 1.00 0.00 C ATOM 1297 CE LYS A 88 9.929 0.160 10.350 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.595 1.120 11.440 1.00 0.00 N ATOM 0 H LYS A 88 5.206 -1.479 8.848 1.00 0.00 H new ATOM 0 HA LYS A 88 4.960 0.473 11.009 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.035 1.742 10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.334 0.388 11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.801 -1.102 9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.275 0.111 8.142 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.708 0.185 8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.130 1.639 8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.659 -0.853 10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.003 0.162 10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.471 1.528 11.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.996 1.881 11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.085 0.622 12.197 1.00 0.00 H new ATOM 1312 N GLU A 89 4.849 2.292 8.950 1.00 0.00 N ATOM 1313 CA GLU A 89 4.236 3.088 7.842 1.00 0.00 C ATOM 1314 C GLU A 89 5.354 3.731 7.019 1.00 0.00 C ATOM 1315 O GLU A 89 6.400 4.058 7.543 1.00 0.00 O ATOM 1316 CB GLU A 89 3.331 4.176 8.444 1.00 0.00 C ATOM 1317 CG GLU A 89 1.925 4.087 7.841 1.00 0.00 C ATOM 1318 CD GLU A 89 0.923 4.766 8.777 1.00 0.00 C ATOM 1319 OE1 GLU A 89 -0.147 4.214 8.969 1.00 0.00 O ATOM 1320 OE2 GLU A 89 1.244 5.828 9.285 1.00 0.00 O ATOM 0 H GLU A 89 5.263 2.846 9.700 1.00 0.00 H new ATOM 0 HA GLU A 89 3.638 2.443 7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.279 4.058 9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.756 5.161 8.251 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.907 4.566 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.648 3.044 7.690 1.00 0.00 H new ATOM 1327 N VAL A 90 5.163 3.905 5.734 1.00 0.00 N ATOM 1328 CA VAL A 90 6.255 4.513 4.919 1.00 0.00 C ATOM 1329 C VAL A 90 5.679 5.206 3.678 1.00 0.00 C ATOM 1330 O VAL A 90 4.671 4.815 3.142 1.00 0.00 O ATOM 1331 CB VAL A 90 7.236 3.401 4.488 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.490 3.440 5.365 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.558 2.035 4.644 1.00 0.00 C ATOM 0 H VAL A 90 4.315 3.657 5.224 1.00 0.00 H new ATOM 0 HA VAL A 90 6.777 5.260 5.518 1.00 0.00 H new ATOM 0 HB VAL A 90 7.518 3.560 3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.176 2.652 5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.978 4.409 5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.210 3.287 6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.249 1.249 4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.275 1.886 5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.667 1.997 4.017 1.00 0.00 H new ATOM 1343 N PHE A 91 6.337 6.225 3.212 1.00 0.00 N ATOM 1344 CA PHE A 91 5.868 6.943 1.993 1.00 0.00 C ATOM 1345 C PHE A 91 6.719 6.487 0.831 1.00 0.00 C ATOM 1346 O PHE A 91 7.710 5.809 1.012 1.00 0.00 O ATOM 1347 CB PHE A 91 6.086 8.447 2.127 1.00 0.00 C ATOM 1348 CG PHE A 91 5.284 8.989 3.289 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.641 8.661 4.604 1.00 0.00 C ATOM 1350 CD2 PHE A 91 4.184 9.822 3.051 1.00 0.00 C ATOM 1351 CE1 PHE A 91 4.898 9.165 5.677 1.00 0.00 C ATOM 1352 CE2 PHE A 91 3.441 10.325 4.126 1.00 0.00 C ATOM 1353 CZ PHE A 91 3.797 9.996 5.438 1.00 0.00 C ATOM 0 H PHE A 91 7.191 6.598 3.627 1.00 0.00 H new ATOM 0 HA PHE A 91 4.808 6.733 1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.145 8.656 2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.790 8.948 1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.490 8.019 4.789 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.909 10.077 2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.174 8.913 6.690 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.593 10.967 3.942 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.223 10.383 6.267 1.00 0.00 H new ATOM 1363 N LEU A 92 6.364 6.866 -0.361 1.00 0.00 N ATOM 1364 CA LEU A 92 7.190 6.471 -1.517 1.00 0.00 C ATOM 1365 C LEU A 92 8.657 6.724 -1.154 1.00 0.00 C ATOM 1366 O LEU A 92 8.974 7.194 -0.079 1.00 0.00 O ATOM 1367 CB LEU A 92 6.792 7.300 -2.745 1.00 0.00 C ATOM 1368 CG LEU A 92 5.290 7.633 -2.676 1.00 0.00 C ATOM 1369 CD1 LEU A 92 5.087 8.968 -1.952 1.00 0.00 C ATOM 1370 CD2 LEU A 92 4.708 7.737 -4.093 1.00 0.00 C ATOM 0 H LEU A 92 5.542 7.429 -0.579 1.00 0.00 H new ATOM 0 HA LEU A 92 7.041 5.418 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.378 8.219 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.011 6.746 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 92 4.780 6.838 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.023 9.199 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.487 8.898 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.607 9.758 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.645 7.973 -4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.224 8.525 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.840 6.787 -4.611 1.00 0.00 H new ATOM 1382 N GLU A 93 9.548 6.410 -2.025 1.00 0.00 N ATOM 1383 CA GLU A 93 10.991 6.616 -1.713 1.00 0.00 C ATOM 1384 C GLU A 93 11.340 8.105 -1.807 1.00 0.00 C ATOM 1385 O GLU A 93 12.474 8.495 -1.617 1.00 0.00 O ATOM 1386 CB GLU A 93 11.856 5.803 -2.682 1.00 0.00 C ATOM 1387 CG GLU A 93 11.305 5.913 -4.106 1.00 0.00 C ATOM 1388 CD GLU A 93 11.858 4.768 -4.959 1.00 0.00 C ATOM 1389 OE1 GLU A 93 11.061 4.001 -5.474 1.00 0.00 O ATOM 1390 OE2 GLU A 93 13.068 4.679 -5.082 1.00 0.00 O ATOM 0 H GLU A 93 9.352 6.018 -2.946 1.00 0.00 H new ATOM 0 HA GLU A 93 11.189 6.275 -0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.884 6.164 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.877 4.758 -2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.216 5.875 -4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.584 6.872 -4.542 1.00 0.00 H new ATOM 1397 N GLN A 94 10.371 8.937 -2.084 1.00 0.00 N ATOM 1398 CA GLN A 94 10.636 10.405 -2.179 1.00 0.00 C ATOM 1399 C GLN A 94 11.612 10.699 -3.324 1.00 0.00 C ATOM 1400 O GLN A 94 11.562 11.747 -3.939 1.00 0.00 O ATOM 1401 CB GLN A 94 11.233 10.907 -0.860 1.00 0.00 C ATOM 1402 CG GLN A 94 10.477 10.285 0.317 1.00 0.00 C ATOM 1403 CD GLN A 94 10.793 11.063 1.596 1.00 0.00 C ATOM 1404 OE1 GLN A 94 9.830 11.341 2.431 1.00 0.00 O flip ATOM 1405 NE2 GLN A 94 11.929 11.420 1.838 1.00 0.00 N flip ATOM 0 H GLN A 94 9.403 8.663 -2.249 1.00 0.00 H new ATOM 0 HA GLN A 94 9.695 10.918 -2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.290 10.646 -0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.170 11.994 -0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.404 10.302 0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.763 9.240 0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.682 11.203 1.185 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.130 11.937 2.694 1.00 0.00 H new ATOM 1414 N ARG A 95 12.498 9.788 -3.618 1.00 0.00 N ATOM 1415 CA ARG A 95 13.474 10.016 -4.721 1.00 0.00 C ATOM 1416 C ARG A 95 12.733 10.551 -5.950 1.00 0.00 C ATOM 1417 O ARG A 95 13.275 11.284 -6.752 1.00 0.00 O ATOM 1418 CB ARG A 95 14.182 8.685 -5.031 1.00 0.00 C ATOM 1419 CG ARG A 95 13.537 7.974 -6.233 1.00 0.00 C ATOM 1420 CD ARG A 95 14.129 8.505 -7.546 1.00 0.00 C ATOM 1421 NE ARG A 95 15.170 7.558 -8.036 1.00 0.00 N ATOM 1422 CZ ARG A 95 15.998 7.927 -8.975 1.00 0.00 C ATOM 1423 NH1 ARG A 95 16.907 7.095 -9.406 1.00 0.00 N ATOM 1424 NH2 ARG A 95 15.916 9.125 -9.485 1.00 0.00 N ATOM 0 H ARG A 95 12.588 8.892 -3.140 1.00 0.00 H new ATOM 0 HA ARG A 95 14.222 10.753 -4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 95 15.236 8.871 -5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.139 8.036 -4.156 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.702 6.899 -6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 95 12.459 8.132 -6.222 1.00 0.00 H new ATOM 0 HD2 ARG A 95 13.343 8.618 -8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 95 14.564 9.492 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 95 15.235 6.621 -7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 95 16.970 6.158 -9.009 1.00 0.00 H new ATOM 0 HH12 ARG A 95 17.555 7.382 -10.140 1.00 0.00 H new ATOM 0 HH21 ARG A 95 15.204 9.774 -9.150 1.00 0.00 H new ATOM 0 HH22 ARG A 95 16.564 9.412 -10.219 1.00 0.00 H new ATOM 1438 N LEU A 96 11.490 10.187 -6.090 1.00 0.00 N ATOM 1439 CA LEU A 96 10.689 10.661 -7.250 1.00 0.00 C ATOM 1440 C LEU A 96 10.460 12.162 -7.110 1.00 0.00 C ATOM 1441 O LEU A 96 10.909 12.953 -7.916 1.00 0.00 O ATOM 1442 CB LEU A 96 9.333 9.939 -7.271 1.00 0.00 C ATOM 1443 CG LEU A 96 8.885 9.597 -5.839 1.00 0.00 C ATOM 1444 CD1 LEU A 96 7.405 9.210 -5.841 1.00 0.00 C ATOM 1445 CD2 LEU A 96 9.703 8.422 -5.287 1.00 0.00 C ATOM 0 H LEU A 96 10.991 9.576 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 96 11.223 10.450 -8.177 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.585 10.570 -7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.409 9.027 -7.863 1.00 0.00 H new ATOM 0 HG LEU A 96 9.043 10.473 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.091 8.968 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.811 10.044 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.257 8.342 -6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.373 8.193 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.558 7.548 -5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 96 10.760 8.689 -5.273 1.00 0.00 H new ATOM 1457 N ALA A 97 9.762 12.552 -6.087 1.00 0.00 N ATOM 1458 CA ALA A 97 9.492 14.002 -5.876 1.00 0.00 C ATOM 1459 C ALA A 97 8.821 14.207 -4.517 1.00 0.00 C ATOM 1460 O ALA A 97 7.965 13.444 -4.114 1.00 0.00 O ATOM 1461 CB ALA A 97 8.570 14.515 -6.984 1.00 0.00 C ATOM 0 H ALA A 97 9.364 11.930 -5.383 1.00 0.00 H new ATOM 0 HA ALA A 97 10.432 14.553 -5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.372 15.576 -6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.050 14.372 -7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.630 13.963 -6.960 1.00 0.00 H new ATOM 1467 N ALA A 98 9.199 15.235 -3.809 1.00 0.00 N ATOM 1468 CA ALA A 98 8.581 15.493 -2.477 1.00 0.00 C ATOM 1469 C ALA A 98 8.911 16.918 -2.028 1.00 0.00 C ATOM 1470 O ALA A 98 9.623 17.123 -1.065 1.00 0.00 O ATOM 1471 CB ALA A 98 9.133 14.495 -1.457 1.00 0.00 C ATOM 0 H ALA A 98 9.910 15.908 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 98 7.500 15.377 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.682 14.683 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.897 13.480 -1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.214 14.610 -1.384 1.00 0.00 H new ATOM 1477 N PRO A 99 8.395 17.895 -2.726 1.00 0.00 N ATOM 1478 CA PRO A 99 8.633 19.332 -2.402 1.00 0.00 C ATOM 1479 C PRO A 99 8.421 19.634 -0.914 1.00 0.00 C ATOM 1480 O PRO A 99 7.344 19.347 -0.419 1.00 0.00 O ATOM 1481 CB PRO A 99 7.598 20.071 -3.256 1.00 0.00 C ATOM 1482 CG PRO A 99 7.327 19.165 -4.413 1.00 0.00 C ATOM 1483 CD PRO A 99 7.525 17.735 -3.902 1.00 0.00 C ATOM 1484 OXT PRO A 99 9.341 20.146 -0.298 1.00 0.00 O ATOM 0 HA PRO A 99 9.660 19.631 -2.609 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.688 20.269 -2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 99 7.980 21.035 -3.592 1.00 0.00 H new ATOM 0 HG2 PRO A 99 6.313 19.306 -4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.004 19.379 -5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.575 17.271 -3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.988 17.101 -4.658 1.00 0.00 H new TER 1492 PRO A 99 HETATM 1493 ZN ZN A 101 9.110 -3.667 4.304 1.00 0.00 ZN HETATM 1494 ZN ZN A 102 -11.880 -5.756 2.207 1.00 0.00 ZN HETATM 1495 ZN ZN A 103 -1.545 -8.458 -2.180 1.00 0.00 ZN