USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 772 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 ASN : amide:sc= -0.622 K(o=-4.1,f=-6!) USER MOD Set 1.2: A 87 GLN :FLIP amide:sc= -3.49! C(o=-13!,f=-4.1!) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -7.72! C(o=-9.6!,f=-14!) USER MOD Set 2.2: A 51 TYR OH : rot 4:sc= -1.86! USER MOD Set 3.1: A 29 SER OG : rot -68:sc= 0.986 USER MOD Set 3.2: A 30 ASN :FLIP amide:sc= -2.67! F(o=-4.3,f=-1.7!) USER MOD Set 4.1: A 22 SER OG : rot 180:sc= 0.037 USER MOD Set 4.2: A 24 MET CE :methyl -179:sc= -0.248 (180deg=-0.25) USER MOD Single : A 1 SER N :NH3+ -142:sc= 0.739 (180deg=0.052) USER MOD Single : A 1 SER OG : rot -94:sc= 0.976 USER MOD Single : A 2 LYS NZ :NH3+ -157:sc= -0.036 (180deg=-0.307) USER MOD Single : A 5 TYR OH : rot -74:sc= -0.257 USER MOD Single : A 7 SER OG : rot 98:sc= -1.21 USER MOD Single : A 8 HIS : no HD1:sc= -3.49! C(o=-3.5!,f=-8.4!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0844 X(o=-0.084,f=-0.084) USER MOD Single : A 33 TYR OH : rot 142:sc= 1 USER MOD Single : A 42 SER OG : rot -46:sc= 0.254 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 88:sc= 1.18 USER MOD Single : A 53 ASN : amide:sc= -1.85! C(o=-1.8!,f=-9.5!) USER MOD Single : A 57 THR OG1 : rot 170:sc= -0.124 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -175:sc= -2.5 (180deg=-2.76) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -90:sc= -3.25! USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -0.29 (180deg=-1.26!) USER MOD Single : A 81 ASN : amide:sc= -7.73! C(o=-7.7!,f=-15!) USER MOD Single : A 82 SER OG : rot 30:sc= -1.54! USER MOD Single : A 85 CYS SG : rot -14:sc= -9.6! USER MOD Single : A 90 MET CE :methyl -157:sc= -3.03! (180deg=-4.6!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN :FLIP amide:sc= -2.56 F(o=-6.1!,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.861 -9.096 3.333 1.00 0.00 N ATOM 2 CA SER A 1 9.616 -9.662 2.742 1.00 0.00 C ATOM 3 C SER A 1 9.577 -9.350 1.249 1.00 0.00 C ATOM 4 O SER A 1 10.009 -8.299 0.823 1.00 0.00 O ATOM 5 CB SER A 1 8.400 -9.024 3.412 1.00 0.00 C ATOM 6 OG SER A 1 8.552 -7.610 3.406 1.00 0.00 O ATOM 0 H1 SER A 1 11.235 -9.752 4.049 1.00 0.00 H new ATOM 0 H2 SER A 1 11.570 -8.960 2.584 1.00 0.00 H new ATOM 0 H3 SER A 1 10.649 -8.181 3.779 1.00 0.00 H new ATOM 0 HA SER A 1 9.601 -10.741 2.896 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.489 -9.306 2.884 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.301 -9.387 4.435 1.00 0.00 H new ATOM 0 HG SER A 1 8.960 -7.321 4.249 1.00 0.00 H new ATOM 14 N LYS A 2 9.045 -10.236 0.455 1.00 0.00 N ATOM 15 CA LYS A 2 8.964 -9.960 -0.996 1.00 0.00 C ATOM 16 C LYS A 2 7.733 -9.098 -1.215 1.00 0.00 C ATOM 17 O LYS A 2 6.637 -9.496 -0.889 1.00 0.00 O ATOM 18 CB LYS A 2 8.805 -11.294 -1.745 1.00 0.00 C ATOM 19 CG LYS A 2 10.170 -11.796 -2.261 1.00 0.00 C ATOM 20 CD LYS A 2 10.490 -11.176 -3.639 1.00 0.00 C ATOM 21 CE LYS A 2 9.868 -12.023 -4.753 1.00 0.00 C ATOM 22 NZ LYS A 2 10.641 -13.288 -4.905 1.00 0.00 N ATOM 0 H LYS A 2 8.665 -11.135 0.751 1.00 0.00 H new ATOM 0 HA LYS A 2 9.858 -9.454 -1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.365 -12.039 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.118 -11.167 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.953 -11.536 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.158 -12.883 -2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.104 -10.158 -3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.569 -11.115 -3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.827 -12.246 -4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.870 -11.468 -5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.495 -13.671 -5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.653 -13.096 -4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.315 -13.981 -4.201 1.00 0.00 H new ATOM 36 N VAL A 3 7.888 -7.918 -1.731 1.00 0.00 N ATOM 37 CA VAL A 3 6.713 -7.025 -1.939 1.00 0.00 C ATOM 38 C VAL A 3 6.593 -6.702 -3.415 1.00 0.00 C ATOM 39 O VAL A 3 7.513 -6.211 -4.006 1.00 0.00 O ATOM 40 CB VAL A 3 6.977 -5.744 -1.128 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.336 -4.514 -1.770 1.00 0.00 C ATOM 42 CG2 VAL A 3 6.419 -5.911 0.279 1.00 0.00 C ATOM 0 H VAL A 3 8.784 -7.526 -2.022 1.00 0.00 H new ATOM 0 HA VAL A 3 5.785 -7.495 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 3 8.056 -5.589 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.549 -3.634 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.744 -4.372 -2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.257 -4.658 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.605 -5.004 0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.346 -6.093 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.906 -6.756 0.766 1.00 0.00 H new ATOM 52 N VAL A 4 5.454 -6.953 -3.993 1.00 0.00 N ATOM 53 CA VAL A 4 5.263 -6.632 -5.448 1.00 0.00 C ATOM 54 C VAL A 4 4.279 -5.473 -5.596 1.00 0.00 C ATOM 55 O VAL A 4 3.201 -5.478 -5.068 1.00 0.00 O ATOM 56 CB VAL A 4 4.737 -7.856 -6.179 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.433 -7.492 -7.630 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.790 -8.966 -6.138 1.00 0.00 C ATOM 0 H VAL A 4 4.644 -7.365 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 4 6.221 -6.343 -5.881 1.00 0.00 H new ATOM 0 HB VAL A 4 3.824 -8.204 -5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.056 -8.370 -8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.682 -6.703 -7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.344 -7.143 -8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.413 -9.844 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.703 -8.619 -6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.004 -9.226 -5.101 1.00 0.00 H new ATOM 68 N TYR A 5 4.664 -4.502 -6.353 1.00 0.00 N ATOM 69 CA TYR A 5 3.801 -3.326 -6.632 1.00 0.00 C ATOM 70 C TYR A 5 3.315 -3.432 -8.070 1.00 0.00 C ATOM 71 O TYR A 5 4.104 -3.412 -8.995 1.00 0.00 O ATOM 72 CB TYR A 5 4.623 -2.048 -6.465 1.00 0.00 C ATOM 73 CG TYR A 5 4.815 -1.725 -5.002 1.00 0.00 C ATOM 74 CD1 TYR A 5 3.807 -1.065 -4.292 1.00 0.00 C ATOM 75 CD2 TYR A 5 6.012 -2.068 -4.363 1.00 0.00 C ATOM 76 CE1 TYR A 5 3.998 -0.746 -2.939 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.202 -1.743 -3.015 1.00 0.00 C ATOM 78 CZ TYR A 5 5.197 -1.084 -2.302 1.00 0.00 C ATOM 79 OH TYR A 5 5.393 -0.755 -0.973 1.00 0.00 O ATOM 0 H TYR A 5 5.575 -4.469 -6.810 1.00 0.00 H new ATOM 0 HA TYR A 5 2.954 -3.299 -5.946 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.593 -2.168 -6.947 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.121 -1.219 -6.963 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.883 -0.801 -4.784 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.788 -2.583 -4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.219 -0.239 -2.389 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.128 -2.002 -2.524 1.00 0.00 H new ATOM 0 HH TYR A 5 5.558 0.208 -0.895 1.00 0.00 H new ATOM 89 N VAL A 6 2.027 -3.512 -8.282 1.00 0.00 N ATOM 90 CA VAL A 6 1.501 -3.581 -9.688 1.00 0.00 C ATOM 91 C VAL A 6 1.012 -2.187 -10.056 1.00 0.00 C ATOM 92 O VAL A 6 0.031 -1.699 -9.544 1.00 0.00 O ATOM 93 CB VAL A 6 0.357 -4.597 -9.782 1.00 0.00 C ATOM 94 CG1 VAL A 6 0.151 -5.000 -11.246 1.00 0.00 C ATOM 95 CG2 VAL A 6 0.719 -5.838 -8.966 1.00 0.00 C ATOM 0 H VAL A 6 1.316 -3.533 -7.551 1.00 0.00 H new ATOM 0 HA VAL A 6 2.281 -3.906 -10.376 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.559 -4.152 -9.393 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.662 -5.722 -11.314 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.098 -4.117 -11.835 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.067 -5.447 -11.633 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.091 -6.564 -9.029 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.634 -6.280 -9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.873 -5.556 -7.924 1.00 0.00 H new ATOM 105 N SER A 7 1.716 -1.538 -10.923 1.00 0.00 N ATOM 106 CA SER A 7 1.335 -0.162 -11.310 1.00 0.00 C ATOM 107 C SER A 7 0.089 -0.180 -12.186 1.00 0.00 C ATOM 108 O SER A 7 -0.510 -1.209 -12.435 1.00 0.00 O ATOM 109 CB SER A 7 2.485 0.485 -12.073 1.00 0.00 C ATOM 110 OG SER A 7 2.768 -0.292 -13.231 1.00 0.00 O ATOM 0 H SER A 7 2.548 -1.903 -11.386 1.00 0.00 H new ATOM 0 HA SER A 7 1.120 0.411 -10.408 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.222 1.504 -12.358 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.369 0.550 -11.438 1.00 0.00 H new ATOM 0 HG SER A 7 2.325 0.107 -14.009 1.00 0.00 H new ATOM 116 N HIS A 8 -0.297 0.970 -12.650 1.00 0.00 N ATOM 117 CA HIS A 8 -1.507 1.074 -13.514 1.00 0.00 C ATOM 118 C HIS A 8 -1.134 0.668 -14.946 1.00 0.00 C ATOM 119 O HIS A 8 -1.844 -0.072 -15.600 1.00 0.00 O ATOM 120 CB HIS A 8 -2.069 2.526 -13.484 1.00 0.00 C ATOM 121 CG HIS A 8 -1.147 3.440 -12.716 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.629 3.104 -11.465 1.00 0.00 N ATOM 123 CD2 HIS A 8 -0.657 4.692 -12.994 1.00 0.00 C ATOM 124 CE1 HIS A 8 0.132 4.134 -11.056 1.00 0.00 C ATOM 125 NE2 HIS A 8 0.147 5.124 -11.947 1.00 0.00 N ATOM 0 H HIS A 8 0.177 1.854 -12.467 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.283 0.406 -13.140 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.190 2.895 -14.502 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.057 2.529 -13.025 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.865 5.256 -13.891 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.667 4.156 -10.118 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.644 6.012 -11.876 1.00 0.00 H new ATOM 134 N ASP A 9 -0.031 1.153 -15.443 1.00 0.00 N ATOM 135 CA ASP A 9 0.374 0.796 -16.832 1.00 0.00 C ATOM 136 C ASP A 9 0.695 -0.702 -16.907 1.00 0.00 C ATOM 137 O ASP A 9 0.964 -1.227 -17.971 1.00 0.00 O ATOM 138 CB ASP A 9 1.609 1.601 -17.235 1.00 0.00 C ATOM 139 CG ASP A 9 2.701 1.431 -16.179 1.00 0.00 C ATOM 140 OD1 ASP A 9 2.657 0.443 -15.468 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.564 2.290 -16.104 1.00 0.00 O ATOM 0 H ASP A 9 0.606 1.779 -14.950 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.445 1.027 -17.513 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.973 1.265 -18.206 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.350 2.655 -17.338 1.00 0.00 H new ATOM 146 N GLY A 10 0.661 -1.400 -15.795 1.00 0.00 N ATOM 147 CA GLY A 10 0.954 -2.872 -15.812 1.00 0.00 C ATOM 148 C GLY A 10 2.403 -3.139 -15.385 1.00 0.00 C ATOM 149 O GLY A 10 2.781 -4.264 -15.132 1.00 0.00 O ATOM 0 H GLY A 10 0.443 -1.015 -14.876 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.270 -3.392 -15.142 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.785 -3.270 -16.812 1.00 0.00 H new ATOM 153 N THR A 11 3.222 -2.127 -15.328 1.00 0.00 N ATOM 154 CA THR A 11 4.639 -2.356 -14.936 1.00 0.00 C ATOM 155 C THR A 11 4.691 -2.819 -13.469 1.00 0.00 C ATOM 156 O THR A 11 4.136 -2.201 -12.591 1.00 0.00 O ATOM 157 CB THR A 11 5.463 -1.067 -15.181 1.00 0.00 C ATOM 158 OG1 THR A 11 6.596 -1.391 -15.973 1.00 0.00 O ATOM 159 CG2 THR A 11 5.946 -0.404 -13.882 1.00 0.00 C ATOM 0 H THR A 11 2.974 -1.159 -15.534 1.00 0.00 H new ATOM 0 HA THR A 11 5.083 -3.143 -15.546 1.00 0.00 H new ATOM 0 HB THR A 11 4.807 -0.357 -15.685 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.124 -0.581 -16.136 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.517 0.493 -14.122 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.086 -0.134 -13.270 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.579 -1.100 -13.332 1.00 0.00 H new ATOM 167 N ARG A 12 5.349 -3.918 -13.231 1.00 0.00 N ATOM 168 CA ARG A 12 5.450 -4.465 -11.835 1.00 0.00 C ATOM 169 C ARG A 12 6.831 -4.160 -11.238 1.00 0.00 C ATOM 170 O ARG A 12 7.847 -4.311 -11.886 1.00 0.00 O ATOM 171 CB ARG A 12 5.228 -5.985 -11.862 1.00 0.00 C ATOM 172 CG ARG A 12 4.163 -6.333 -12.918 1.00 0.00 C ATOM 173 CD ARG A 12 3.586 -7.751 -12.682 1.00 0.00 C ATOM 174 NE ARG A 12 3.708 -8.531 -13.948 1.00 0.00 N ATOM 175 CZ ARG A 12 3.014 -8.185 -14.991 1.00 0.00 C ATOM 176 NH1 ARG A 12 2.205 -7.165 -14.915 1.00 0.00 N ATOM 177 NH2 ARG A 12 3.128 -8.860 -16.103 1.00 0.00 N ATOM 0 H ARG A 12 5.827 -4.470 -13.943 1.00 0.00 H new ATOM 0 HA ARG A 12 4.687 -3.992 -11.217 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.163 -6.495 -12.092 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.908 -6.333 -10.880 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.358 -5.599 -12.883 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.602 -6.277 -13.914 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.125 -8.250 -11.877 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.542 -7.688 -12.375 1.00 0.00 H new ATOM 0 HE ARG A 12 4.335 -9.334 -13.995 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.120 -6.645 -14.042 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.657 -6.887 -15.729 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.761 -9.658 -16.153 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.584 -8.589 -16.922 1.00 0.00 H new ATOM 191 N ARG A 13 6.865 -3.738 -9.997 1.00 0.00 N ATOM 192 CA ARG A 13 8.150 -3.417 -9.319 1.00 0.00 C ATOM 193 C ARG A 13 8.172 -4.178 -8.003 1.00 0.00 C ATOM 194 O ARG A 13 7.296 -4.009 -7.174 1.00 0.00 O ATOM 195 CB ARG A 13 8.186 -1.921 -9.023 1.00 0.00 C ATOM 196 CG ARG A 13 9.634 -1.455 -8.733 1.00 0.00 C ATOM 197 CD ARG A 13 10.378 -1.020 -10.031 1.00 0.00 C ATOM 198 NE ARG A 13 10.834 0.397 -9.883 1.00 0.00 N ATOM 199 CZ ARG A 13 9.958 1.350 -9.678 1.00 0.00 C ATOM 200 NH1 ARG A 13 8.690 1.059 -9.653 1.00 0.00 N ATOM 201 NH2 ARG A 13 10.351 2.587 -9.499 1.00 0.00 N ATOM 0 H ARG A 13 6.036 -3.601 -9.418 1.00 0.00 H new ATOM 0 HA ARG A 13 9.002 -3.690 -9.942 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.784 -1.368 -9.872 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.549 -1.699 -8.167 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.613 -0.622 -8.031 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.186 -2.263 -8.252 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.232 -1.673 -10.211 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.717 -1.114 -10.893 1.00 0.00 H new ATOM 0 HE ARG A 13 11.827 0.622 -9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.385 0.096 -9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.001 1.794 -9.494 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.345 2.814 -9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.663 3.323 -9.340 1.00 0.00 H new ATOM 215 N GLU A 14 9.142 -5.018 -7.802 1.00 0.00 N ATOM 216 CA GLU A 14 9.208 -5.811 -6.544 1.00 0.00 C ATOM 217 C GLU A 14 10.325 -5.280 -5.628 1.00 0.00 C ATOM 218 O GLU A 14 11.451 -5.117 -6.054 1.00 0.00 O ATOM 219 CB GLU A 14 9.495 -7.281 -6.887 1.00 0.00 C ATOM 220 CG GLU A 14 8.737 -7.678 -8.157 1.00 0.00 C ATOM 221 CD GLU A 14 8.643 -9.204 -8.252 1.00 0.00 C ATOM 222 OE1 GLU A 14 9.489 -9.864 -7.665 1.00 0.00 O ATOM 223 OE2 GLU A 14 7.728 -9.686 -8.893 1.00 0.00 O ATOM 0 H GLU A 14 9.901 -5.193 -8.461 1.00 0.00 H new ATOM 0 HA GLU A 14 8.254 -5.724 -6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.565 -7.427 -7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.194 -7.922 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.737 -7.243 -8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.247 -7.281 -9.035 1.00 0.00 H new ATOM 230 N LEU A 15 10.036 -5.037 -4.359 1.00 0.00 N ATOM 231 CA LEU A 15 11.101 -4.554 -3.407 1.00 0.00 C ATOM 232 C LEU A 15 11.175 -5.483 -2.202 1.00 0.00 C ATOM 233 O LEU A 15 10.327 -6.321 -1.974 1.00 0.00 O ATOM 234 CB LEU A 15 10.794 -3.138 -2.833 1.00 0.00 C ATOM 235 CG LEU A 15 9.738 -2.428 -3.639 1.00 0.00 C ATOM 236 CD1 LEU A 15 9.453 -1.090 -2.935 1.00 0.00 C ATOM 237 CD2 LEU A 15 10.228 -2.166 -5.081 1.00 0.00 C ATOM 0 H LEU A 15 9.111 -5.153 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 15 12.028 -4.531 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.463 -3.228 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.707 -2.543 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 15 8.839 -3.041 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.691 -0.543 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.099 -1.280 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.367 -0.498 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.448 -1.652 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.124 -1.546 -5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.459 -3.115 -5.565 1.00 0.00 H new ATOM 249 N ASP A 16 12.165 -5.257 -1.399 1.00 0.00 N ATOM 250 CA ASP A 16 12.323 -6.018 -0.139 1.00 0.00 C ATOM 251 C ASP A 16 11.982 -5.034 0.973 1.00 0.00 C ATOM 252 O ASP A 16 12.664 -4.046 1.158 1.00 0.00 O ATOM 253 CB ASP A 16 13.773 -6.495 -0.001 1.00 0.00 C ATOM 254 CG ASP A 16 13.865 -7.542 1.110 1.00 0.00 C ATOM 255 OD1 ASP A 16 12.996 -8.396 1.166 1.00 0.00 O ATOM 256 OD2 ASP A 16 14.802 -7.469 1.892 1.00 0.00 O ATOM 0 H ASP A 16 12.890 -4.559 -1.567 1.00 0.00 H new ATOM 0 HA ASP A 16 11.683 -6.900 -0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.118 -6.919 -0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.424 -5.651 0.226 1.00 0.00 H new ATOM 261 N VAL A 17 10.955 -5.298 1.742 1.00 0.00 N ATOM 262 CA VAL A 17 10.582 -4.385 2.882 1.00 0.00 C ATOM 263 C VAL A 17 10.848 -5.146 4.188 1.00 0.00 C ATOM 264 O VAL A 17 10.331 -6.222 4.412 1.00 0.00 O ATOM 265 CB VAL A 17 9.091 -4.002 2.739 1.00 0.00 C ATOM 266 CG1 VAL A 17 8.714 -2.816 3.646 1.00 0.00 C ATOM 267 CG2 VAL A 17 8.854 -3.618 1.273 1.00 0.00 C ATOM 0 H VAL A 17 10.350 -6.112 1.633 1.00 0.00 H new ATOM 0 HA VAL A 17 11.167 -3.466 2.880 1.00 0.00 H new ATOM 0 HB VAL A 17 8.473 -4.848 3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.658 -2.579 3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.900 -3.080 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.317 -1.948 3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.809 -3.341 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.491 -2.774 1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.093 -4.466 0.632 1.00 0.00 H new ATOM 277 N ALA A 18 11.695 -4.608 5.024 1.00 0.00 N ATOM 278 CA ALA A 18 12.052 -5.310 6.285 1.00 0.00 C ATOM 279 C ALA A 18 10.893 -5.285 7.288 1.00 0.00 C ATOM 280 O ALA A 18 9.920 -4.575 7.128 1.00 0.00 O ATOM 281 CB ALA A 18 13.279 -4.644 6.913 1.00 0.00 C ATOM 0 H ALA A 18 12.156 -3.709 4.885 1.00 0.00 H new ATOM 0 HA ALA A 18 12.271 -6.350 6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.540 -5.160 7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.117 -4.698 6.219 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.055 -3.600 7.131 1.00 0.00 H new ATOM 287 N ASP A 19 11.012 -6.074 8.313 1.00 0.00 N ATOM 288 CA ASP A 19 9.958 -6.144 9.350 1.00 0.00 C ATOM 289 C ASP A 19 9.814 -4.797 10.040 1.00 0.00 C ATOM 290 O ASP A 19 10.772 -4.120 10.352 1.00 0.00 O ATOM 291 CB ASP A 19 10.341 -7.201 10.387 1.00 0.00 C ATOM 292 CG ASP A 19 11.800 -7.006 10.804 1.00 0.00 C ATOM 293 OD1 ASP A 19 12.668 -7.470 10.077 1.00 0.00 O ATOM 294 OD2 ASP A 19 12.023 -6.396 11.836 1.00 0.00 O ATOM 0 H ASP A 19 11.812 -6.685 8.477 1.00 0.00 H new ATOM 0 HA ASP A 19 9.011 -6.408 8.879 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.690 -7.123 11.258 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.201 -8.199 9.972 1.00 0.00 H new ATOM 299 N GLY A 20 8.601 -4.432 10.281 1.00 0.00 N ATOM 300 CA GLY A 20 8.329 -3.145 10.969 1.00 0.00 C ATOM 301 C GLY A 20 8.336 -1.983 9.978 1.00 0.00 C ATOM 302 O GLY A 20 8.084 -0.856 10.360 1.00 0.00 O ATOM 0 H GLY A 20 7.772 -4.972 10.031 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.363 -3.194 11.471 1.00 0.00 H new ATOM 0 HA3 GLY A 20 9.080 -2.975 11.740 1.00 0.00 H new ATOM 306 N VAL A 21 8.638 -2.206 8.720 1.00 0.00 N ATOM 307 CA VAL A 21 8.669 -1.067 7.749 1.00 0.00 C ATOM 308 C VAL A 21 7.321 -0.959 7.052 1.00 0.00 C ATOM 309 O VAL A 21 6.657 -1.946 6.801 1.00 0.00 O ATOM 310 CB VAL A 21 9.729 -1.336 6.677 1.00 0.00 C ATOM 311 CG1 VAL A 21 9.812 -0.156 5.723 1.00 0.00 C ATOM 312 CG2 VAL A 21 11.100 -1.577 7.306 1.00 0.00 C ATOM 0 H VAL A 21 8.863 -3.120 8.327 1.00 0.00 H new ATOM 0 HA VAL A 21 8.897 -0.148 8.290 1.00 0.00 H new ATOM 0 HB VAL A 21 9.436 -2.232 6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.568 -0.355 4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.845 -0.008 5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.083 0.742 6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.832 -1.765 6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.398 -0.698 7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.049 -2.440 7.969 1.00 0.00 H new ATOM 322 N SER A 22 6.911 0.230 6.705 1.00 0.00 N ATOM 323 CA SER A 22 5.607 0.391 6.005 1.00 0.00 C ATOM 324 C SER A 22 5.836 0.344 4.500 1.00 0.00 C ATOM 325 O SER A 22 6.821 0.847 3.994 1.00 0.00 O ATOM 326 CB SER A 22 4.987 1.737 6.391 1.00 0.00 C ATOM 327 OG SER A 22 5.985 2.747 6.329 1.00 0.00 O ATOM 0 H SER A 22 7.423 1.096 6.876 1.00 0.00 H new ATOM 0 HA SER A 22 4.931 -0.414 6.294 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.165 1.979 5.717 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.569 1.683 7.396 1.00 0.00 H new ATOM 0 HG SER A 22 5.592 3.611 6.574 1.00 0.00 H new ATOM 333 N LEU A 23 4.928 -0.245 3.762 1.00 0.00 N ATOM 334 CA LEU A 23 5.089 -0.309 2.284 1.00 0.00 C ATOM 335 C LEU A 23 5.389 1.096 1.767 1.00 0.00 C ATOM 336 O LEU A 23 5.961 1.282 0.711 1.00 0.00 O ATOM 337 CB LEU A 23 3.779 -0.810 1.660 1.00 0.00 C ATOM 338 CG LEU A 23 3.652 -2.335 1.807 1.00 0.00 C ATOM 339 CD1 LEU A 23 2.196 -2.738 1.574 1.00 0.00 C ATOM 340 CD2 LEU A 23 4.518 -3.062 0.771 1.00 0.00 C ATOM 0 H LEU A 23 4.082 -0.684 4.124 1.00 0.00 H new ATOM 0 HA LEU A 23 5.902 -0.986 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.932 -0.322 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.746 -0.538 0.605 1.00 0.00 H new ATOM 0 HG LEU A 23 3.983 -2.611 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.097 -3.819 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.560 -2.244 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.892 -2.439 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.409 -4.139 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.198 -2.780 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.563 -2.784 0.910 1.00 0.00 H new ATOM 352 N MET A 24 5.003 2.083 2.519 1.00 0.00 N ATOM 353 CA MET A 24 5.248 3.489 2.116 1.00 0.00 C ATOM 354 C MET A 24 6.739 3.795 2.286 1.00 0.00 C ATOM 355 O MET A 24 7.353 4.442 1.463 1.00 0.00 O ATOM 356 CB MET A 24 4.373 4.391 3.015 1.00 0.00 C ATOM 357 CG MET A 24 5.043 5.745 3.307 1.00 0.00 C ATOM 358 SD MET A 24 3.885 6.797 4.215 1.00 0.00 S ATOM 359 CE MET A 24 4.335 6.235 5.873 1.00 0.00 C ATOM 0 H MET A 24 4.520 1.972 3.411 1.00 0.00 H new ATOM 0 HA MET A 24 4.986 3.667 1.073 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.411 4.560 2.531 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.171 3.877 3.955 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.952 5.596 3.890 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.337 6.227 2.375 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.720 6.749 6.611 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.171 5.160 5.950 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.386 6.456 6.059 1.00 0.00 H new ATOM 369 N GLN A 25 7.321 3.339 3.364 1.00 0.00 N ATOM 370 CA GLN A 25 8.765 3.609 3.595 1.00 0.00 C ATOM 371 C GLN A 25 9.587 3.007 2.445 1.00 0.00 C ATOM 372 O GLN A 25 10.358 3.695 1.811 1.00 0.00 O ATOM 373 CB GLN A 25 9.187 2.992 4.948 1.00 0.00 C ATOM 374 CG GLN A 25 9.168 4.057 6.049 1.00 0.00 C ATOM 375 CD GLN A 25 10.394 4.963 5.910 1.00 0.00 C ATOM 376 OE1 GLN A 25 10.268 6.129 5.593 1.00 0.00 O ATOM 377 NE2 GLN A 25 11.583 4.472 6.130 1.00 0.00 N ATOM 0 H GLN A 25 6.858 2.793 4.091 1.00 0.00 H new ATOM 0 HA GLN A 25 8.945 4.684 3.627 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.512 2.177 5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.186 2.564 4.864 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.256 4.650 5.980 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.165 3.581 7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.689 3.493 6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.406 5.067 6.036 1.00 0.00 H new ATOM 386 N ALA A 26 9.443 1.735 2.173 1.00 0.00 N ATOM 387 CA ALA A 26 10.243 1.130 1.061 1.00 0.00 C ATOM 388 C ALA A 26 9.876 1.751 -0.288 1.00 0.00 C ATOM 389 O ALA A 26 10.692 1.794 -1.181 1.00 0.00 O ATOM 390 CB ALA A 26 9.986 -0.374 1.019 1.00 0.00 C ATOM 0 H ALA A 26 8.817 1.096 2.663 1.00 0.00 H new ATOM 0 HA ALA A 26 11.299 1.326 1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.566 -0.820 0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.283 -0.820 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.925 -0.557 0.848 1.00 0.00 H new ATOM 396 N ALA A 27 8.675 2.233 -0.453 1.00 0.00 N ATOM 397 CA ALA A 27 8.310 2.841 -1.766 1.00 0.00 C ATOM 398 C ALA A 27 9.151 4.103 -2.016 1.00 0.00 C ATOM 399 O ALA A 27 9.749 4.266 -3.059 1.00 0.00 O ATOM 400 CB ALA A 27 6.824 3.210 -1.756 1.00 0.00 C ATOM 0 H ALA A 27 7.939 2.234 0.253 1.00 0.00 H new ATOM 0 HA ALA A 27 8.506 2.122 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.553 3.655 -2.714 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.227 2.313 -1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.632 3.926 -0.956 1.00 0.00 H new ATOM 406 N VAL A 28 9.197 4.999 -1.062 1.00 0.00 N ATOM 407 CA VAL A 28 9.992 6.253 -1.247 1.00 0.00 C ATOM 408 C VAL A 28 11.445 5.899 -1.582 1.00 0.00 C ATOM 409 O VAL A 28 12.196 6.719 -2.069 1.00 0.00 O ATOM 410 CB VAL A 28 9.952 7.071 0.053 1.00 0.00 C ATOM 411 CG1 VAL A 28 11.050 8.145 0.053 1.00 0.00 C ATOM 412 CG2 VAL A 28 8.591 7.756 0.190 1.00 0.00 C ATOM 0 H VAL A 28 8.720 4.917 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 28 9.567 6.837 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 28 10.116 6.392 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.004 8.713 0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.026 7.667 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.900 8.818 -0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.566 8.335 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.431 8.420 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.805 7.002 0.214 1.00 0.00 H new ATOM 422 N SER A 29 11.856 4.700 -1.285 1.00 0.00 N ATOM 423 CA SER A 29 13.273 4.293 -1.543 1.00 0.00 C ATOM 424 C SER A 29 13.423 3.670 -2.927 1.00 0.00 C ATOM 425 O SER A 29 14.497 3.669 -3.493 1.00 0.00 O ATOM 426 CB SER A 29 13.651 3.258 -0.478 1.00 0.00 C ATOM 427 OG SER A 29 14.081 2.046 -1.096 1.00 0.00 O ATOM 0 H SER A 29 11.270 3.975 -0.871 1.00 0.00 H new ATOM 0 HA SER A 29 13.921 5.168 -1.500 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.445 3.652 0.156 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.795 3.061 0.168 1.00 0.00 H new ATOM 0 HG SER A 29 13.319 1.616 -1.538 1.00 0.00 H new ATOM 433 N ASN A 30 12.359 3.149 -3.473 1.00 0.00 N ATOM 434 CA ASN A 30 12.436 2.535 -4.827 1.00 0.00 C ATOM 435 C ASN A 30 11.741 3.443 -5.829 1.00 0.00 C ATOM 436 O ASN A 30 11.501 3.056 -6.959 1.00 0.00 O ATOM 437 CB ASN A 30 11.732 1.190 -4.800 1.00 0.00 C ATOM 438 CG ASN A 30 12.585 0.193 -4.015 1.00 0.00 C ATOM 439 OD1 ASN A 30 12.742 0.360 -2.732 1.00 0.00 O flip ATOM 440 ND2 ASN A 30 13.113 -0.747 -4.575 1.00 0.00 N flip ATOM 0 H ASN A 30 11.437 3.122 -3.038 1.00 0.00 H new ATOM 0 HA ASN A 30 13.479 2.402 -5.115 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.750 1.289 -4.338 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.572 0.829 -5.816 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.990 -0.877 -5.579 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.680 -1.406 -4.041 1.00 0.00 H new ATOM 447 N GLY A 31 11.470 4.669 -5.469 1.00 0.00 N ATOM 448 CA GLY A 31 10.852 5.600 -6.472 1.00 0.00 C ATOM 449 C GLY A 31 9.396 5.217 -6.758 1.00 0.00 C ATOM 450 O GLY A 31 8.928 5.381 -7.865 1.00 0.00 O ATOM 0 H GLY A 31 11.643 5.065 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.895 6.623 -6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.426 5.575 -7.398 1.00 0.00 H new ATOM 454 N ILE A 32 8.681 4.695 -5.793 1.00 0.00 N ATOM 455 CA ILE A 32 7.258 4.283 -6.047 1.00 0.00 C ATOM 456 C ILE A 32 6.287 5.228 -5.346 1.00 0.00 C ATOM 457 O ILE A 32 5.161 5.397 -5.776 1.00 0.00 O ATOM 458 CB ILE A 32 7.073 2.852 -5.528 1.00 0.00 C ATOM 459 CG1 ILE A 32 8.147 1.957 -6.172 1.00 0.00 C ATOM 460 CG2 ILE A 32 5.674 2.322 -5.884 1.00 0.00 C ATOM 461 CD1 ILE A 32 7.794 0.476 -5.985 1.00 0.00 C ATOM 0 H ILE A 32 9.015 4.535 -4.843 1.00 0.00 H new ATOM 0 HA ILE A 32 7.048 4.327 -7.116 1.00 0.00 H new ATOM 0 HB ILE A 32 7.173 2.844 -4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.230 2.186 -7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.119 2.165 -5.724 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.563 1.305 -5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.916 2.962 -5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.549 2.323 -6.967 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.564 -0.143 -6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.734 0.248 -4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.832 0.269 -6.455 1.00 0.00 H new ATOM 473 N TYR A 33 6.678 5.799 -4.259 1.00 0.00 N ATOM 474 CA TYR A 33 5.735 6.672 -3.516 1.00 0.00 C ATOM 475 C TYR A 33 5.428 7.998 -4.235 1.00 0.00 C ATOM 476 O TYR A 33 4.796 8.846 -3.652 1.00 0.00 O ATOM 477 CB TYR A 33 6.311 6.937 -2.107 1.00 0.00 C ATOM 478 CG TYR A 33 5.223 6.824 -1.051 1.00 0.00 C ATOM 479 CD1 TYR A 33 4.491 5.633 -0.922 1.00 0.00 C ATOM 480 CD2 TYR A 33 4.947 7.906 -0.201 1.00 0.00 C ATOM 481 CE1 TYR A 33 3.488 5.528 0.042 1.00 0.00 C ATOM 482 CE2 TYR A 33 3.945 7.798 0.763 1.00 0.00 C ATOM 483 CZ TYR A 33 3.215 6.610 0.886 1.00 0.00 C ATOM 484 OH TYR A 33 2.227 6.505 1.841 1.00 0.00 O ATOM 0 H TYR A 33 7.606 5.704 -3.847 1.00 0.00 H new ATOM 0 HA TYR A 33 4.782 6.148 -3.450 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.107 6.223 -1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.757 7.931 -2.072 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.705 4.796 -1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.511 8.823 -0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.923 4.613 0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.732 8.632 1.415 1.00 0.00 H new ATOM 0 HH TYR A 33 2.514 6.961 2.660 1.00 0.00 H new ATOM 494 N ASP A 34 5.897 8.227 -5.448 1.00 0.00 N ATOM 495 CA ASP A 34 5.617 9.544 -6.143 1.00 0.00 C ATOM 496 C ASP A 34 4.098 9.852 -6.199 1.00 0.00 C ATOM 497 O ASP A 34 3.578 10.339 -7.183 1.00 0.00 O ATOM 498 CB ASP A 34 6.170 9.487 -7.565 1.00 0.00 C ATOM 499 CG ASP A 34 5.737 8.180 -8.229 1.00 0.00 C ATOM 500 OD1 ASP A 34 4.672 8.165 -8.827 1.00 0.00 O ATOM 501 OD2 ASP A 34 6.478 7.216 -8.133 1.00 0.00 O ATOM 0 H ASP A 34 6.458 7.566 -5.986 1.00 0.00 H new ATOM 0 HA ASP A 34 6.101 10.337 -5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.807 10.338 -8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.258 9.555 -7.546 1.00 0.00 H new ATOM 506 N ILE A 35 3.417 9.570 -5.130 1.00 0.00 N ATOM 507 CA ILE A 35 1.952 9.823 -5.040 1.00 0.00 C ATOM 508 C ILE A 35 1.720 11.127 -4.271 1.00 0.00 C ATOM 509 O ILE A 35 0.613 11.458 -3.901 1.00 0.00 O ATOM 510 CB ILE A 35 1.278 8.648 -4.317 1.00 0.00 C ATOM 511 CG1 ILE A 35 1.619 8.683 -2.820 1.00 0.00 C ATOM 512 CG2 ILE A 35 1.778 7.337 -4.939 1.00 0.00 C ATOM 513 CD1 ILE A 35 1.288 7.336 -2.150 1.00 0.00 C ATOM 0 H ILE A 35 3.825 9.162 -4.288 1.00 0.00 H new ATOM 0 HA ILE A 35 1.522 9.914 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 35 0.196 8.721 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.677 8.909 -2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.060 9.483 -2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.308 6.493 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.522 7.316 -5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.860 7.270 -4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.538 7.386 -1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.224 7.125 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.867 6.543 -2.623 1.00 0.00 H new ATOM 525 N VAL A 36 2.764 11.872 -4.030 1.00 0.00 N ATOM 526 CA VAL A 36 2.615 13.157 -3.296 1.00 0.00 C ATOM 527 C VAL A 36 1.908 12.903 -1.964 1.00 0.00 C ATOM 528 O VAL A 36 0.833 13.410 -1.709 1.00 0.00 O ATOM 529 CB VAL A 36 1.792 14.139 -4.132 1.00 0.00 C ATOM 530 CG1 VAL A 36 1.898 15.539 -3.524 1.00 0.00 C ATOM 531 CG2 VAL A 36 2.331 14.165 -5.563 1.00 0.00 C ATOM 0 H VAL A 36 3.717 11.643 -4.312 1.00 0.00 H new ATOM 0 HA VAL A 36 3.601 13.582 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 36 0.749 13.824 -4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.312 16.239 -4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.516 15.522 -2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.941 15.854 -3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.745 14.864 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.374 14.481 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.258 13.168 -5.997 1.00 0.00 H new ATOM 541 N GLY A 37 2.506 12.123 -1.103 1.00 0.00 N ATOM 542 CA GLY A 37 1.869 11.839 0.212 1.00 0.00 C ATOM 543 C GLY A 37 1.433 13.154 0.860 1.00 0.00 C ATOM 544 O GLY A 37 2.249 13.963 1.256 1.00 0.00 O ATOM 0 H GLY A 37 3.408 11.671 -1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.008 11.184 0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.570 11.315 0.862 1.00 0.00 H new ATOM 548 N ASP A 38 0.152 13.376 0.968 1.00 0.00 N ATOM 549 CA ASP A 38 -0.335 14.641 1.582 1.00 0.00 C ATOM 550 C ASP A 38 0.007 14.653 3.074 1.00 0.00 C ATOM 551 O ASP A 38 0.782 15.470 3.536 1.00 0.00 O ATOM 552 CB ASP A 38 -1.850 14.744 1.397 1.00 0.00 C ATOM 553 CG ASP A 38 -2.317 16.153 1.769 1.00 0.00 C ATOM 554 OD1 ASP A 38 -2.584 16.378 2.937 1.00 0.00 O ATOM 555 OD2 ASP A 38 -2.399 16.982 0.884 1.00 0.00 O ATOM 0 H ASP A 38 -0.578 12.735 0.657 1.00 0.00 H new ATOM 0 HA ASP A 38 0.147 15.491 1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.116 14.523 0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.354 14.006 2.021 1.00 0.00 H new ATOM 560 N CYS A 39 -0.559 13.758 3.842 1.00 0.00 N ATOM 561 CA CYS A 39 -0.250 13.740 5.297 1.00 0.00 C ATOM 562 C CYS A 39 1.230 13.409 5.512 1.00 0.00 C ATOM 563 O CYS A 39 1.725 13.406 6.619 1.00 0.00 O ATOM 564 CB CYS A 39 -1.130 12.711 6.027 1.00 0.00 C ATOM 565 SG CYS A 39 -0.592 11.021 5.645 1.00 0.00 S ATOM 0 H CYS A 39 -1.216 13.045 3.525 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.461 14.727 5.708 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.079 12.880 7.103 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.171 12.842 5.733 1.00 0.00 H new ATOM 570 N GLY A 40 1.944 13.147 4.445 1.00 0.00 N ATOM 571 CA GLY A 40 3.396 12.838 4.583 1.00 0.00 C ATOM 572 C GLY A 40 3.585 11.454 5.201 1.00 0.00 C ATOM 573 O GLY A 40 4.665 11.102 5.636 1.00 0.00 O ATOM 0 H GLY A 40 1.584 13.134 3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.878 12.877 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.878 13.591 5.206 1.00 0.00 H new ATOM 577 N GLY A 41 2.546 10.662 5.253 1.00 0.00 N ATOM 578 CA GLY A 41 2.675 9.296 5.851 1.00 0.00 C ATOM 579 C GLY A 41 2.241 9.327 7.313 1.00 0.00 C ATOM 580 O GLY A 41 2.581 8.455 8.090 1.00 0.00 O ATOM 0 H GLY A 41 1.616 10.899 4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.062 8.587 5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.707 8.952 5.776 1.00 0.00 H new ATOM 584 N SER A 42 1.481 10.318 7.697 1.00 0.00 N ATOM 585 CA SER A 42 1.009 10.405 9.114 1.00 0.00 C ATOM 586 C SER A 42 -0.408 9.845 9.178 1.00 0.00 C ATOM 587 O SER A 42 -1.133 10.053 10.129 1.00 0.00 O ATOM 588 CB SER A 42 1.002 11.868 9.562 1.00 0.00 C ATOM 589 OG SER A 42 0.859 11.927 10.973 1.00 0.00 O ATOM 0 H SER A 42 1.165 11.074 7.090 1.00 0.00 H new ATOM 0 HA SER A 42 1.670 9.837 9.769 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.927 12.358 9.258 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.185 12.404 9.080 1.00 0.00 H new ATOM 0 HG SER A 42 0.148 11.315 11.256 1.00 0.00 H new ATOM 595 N ALA A 43 -0.804 9.135 8.158 1.00 0.00 N ATOM 596 CA ALA A 43 -2.171 8.555 8.134 1.00 0.00 C ATOM 597 C ALA A 43 -3.199 9.661 8.389 1.00 0.00 C ATOM 598 O ALA A 43 -3.890 9.658 9.390 1.00 0.00 O ATOM 599 CB ALA A 43 -2.288 7.473 9.210 1.00 0.00 C ATOM 0 H ALA A 43 -0.234 8.932 7.337 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.361 8.108 7.158 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.292 7.048 9.191 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.558 6.687 9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.098 7.912 10.189 1.00 0.00 H new ATOM 605 N SER A 44 -3.305 10.606 7.495 1.00 0.00 N ATOM 606 CA SER A 44 -4.293 11.713 7.674 1.00 0.00 C ATOM 607 C SER A 44 -4.817 12.150 6.304 1.00 0.00 C ATOM 608 O SER A 44 -5.365 13.223 6.147 1.00 0.00 O ATOM 609 CB SER A 44 -3.622 12.894 8.395 1.00 0.00 C ATOM 610 OG SER A 44 -4.591 13.566 9.186 1.00 0.00 O ATOM 0 H SER A 44 -2.747 10.661 6.643 1.00 0.00 H new ATOM 0 HA SER A 44 -5.130 11.366 8.280 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.806 12.537 9.023 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.188 13.581 7.668 1.00 0.00 H new ATOM 0 HG SER A 44 -4.169 14.319 9.650 1.00 0.00 H new ATOM 616 N CYS A 45 -4.655 11.319 5.301 1.00 0.00 N ATOM 617 CA CYS A 45 -5.145 11.669 3.933 1.00 0.00 C ATOM 618 C CYS A 45 -5.568 10.389 3.211 1.00 0.00 C ATOM 619 O CYS A 45 -5.654 9.332 3.804 1.00 0.00 O ATOM 620 CB CYS A 45 -4.031 12.384 3.150 1.00 0.00 C ATOM 621 SG CYS A 45 -2.873 11.185 2.427 1.00 0.00 S ATOM 0 H CYS A 45 -4.201 10.408 5.374 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.002 12.339 4.006 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.470 12.993 2.360 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.492 13.061 3.813 1.00 0.00 H new ATOM 626 N ALA A 46 -5.835 10.479 1.929 1.00 0.00 N ATOM 627 CA ALA A 46 -6.257 9.273 1.152 1.00 0.00 C ATOM 628 C ALA A 46 -5.445 9.212 -0.144 1.00 0.00 C ATOM 629 O ALA A 46 -5.854 8.617 -1.118 1.00 0.00 O ATOM 630 CB ALA A 46 -7.752 9.384 0.826 1.00 0.00 C ATOM 0 H ALA A 46 -5.778 11.341 1.387 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.083 8.368 1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.067 8.508 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.323 9.441 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.930 10.282 0.234 1.00 0.00 H new ATOM 636 N THR A 47 -4.298 9.830 -0.146 1.00 0.00 N ATOM 637 CA THR A 47 -3.444 9.828 -1.367 1.00 0.00 C ATOM 638 C THR A 47 -2.772 8.460 -1.525 1.00 0.00 C ATOM 639 O THR A 47 -2.374 8.075 -2.612 1.00 0.00 O ATOM 640 CB THR A 47 -2.378 10.919 -1.213 1.00 0.00 C ATOM 641 OG1 THR A 47 -2.967 12.071 -0.629 1.00 0.00 O ATOM 642 CG2 THR A 47 -1.804 11.281 -2.582 1.00 0.00 C ATOM 0 H THR A 47 -3.913 10.339 0.649 1.00 0.00 H new ATOM 0 HA THR A 47 -4.051 10.023 -2.251 1.00 0.00 H new ATOM 0 HB THR A 47 -1.575 10.551 -0.574 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.929 11.998 0.348 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.047 12.057 -2.466 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.352 10.397 -3.032 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.603 11.648 -3.226 1.00 0.00 H new ATOM 650 N CYS A 48 -2.644 7.726 -0.460 1.00 0.00 N ATOM 651 CA CYS A 48 -2.000 6.380 -0.530 1.00 0.00 C ATOM 652 C CYS A 48 -3.045 5.315 -0.882 1.00 0.00 C ATOM 653 O CYS A 48 -2.999 4.208 -0.408 1.00 0.00 O ATOM 654 CB CYS A 48 -1.347 6.063 0.811 1.00 0.00 C ATOM 655 SG CYS A 48 -2.536 6.372 2.140 1.00 0.00 S ATOM 0 H CYS A 48 -2.961 8.001 0.470 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.236 6.382 -1.307 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.021 5.023 0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.459 6.679 0.951 1.00 0.00 H new ATOM 660 N HIS A 49 -3.984 5.656 -1.724 1.00 0.00 N ATOM 661 CA HIS A 49 -5.050 4.688 -2.129 1.00 0.00 C ATOM 662 C HIS A 49 -4.437 3.561 -2.983 1.00 0.00 C ATOM 663 O HIS A 49 -4.057 3.777 -4.113 1.00 0.00 O ATOM 664 CB HIS A 49 -6.069 5.474 -2.969 1.00 0.00 C ATOM 665 CG HIS A 49 -7.019 4.570 -3.721 1.00 0.00 C ATOM 666 ND1 HIS A 49 -7.882 3.662 -3.114 1.00 0.00 N ATOM 667 CD2 HIS A 49 -7.271 4.470 -5.064 1.00 0.00 C ATOM 668 CE1 HIS A 49 -8.600 3.067 -4.102 1.00 0.00 C ATOM 669 NE2 HIS A 49 -8.257 3.528 -5.294 1.00 0.00 N ATOM 0 H HIS A 49 -4.060 6.577 -2.155 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.521 4.238 -1.255 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.641 6.134 -2.317 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.538 6.108 -3.679 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.772 5.043 -5.831 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.355 2.313 -3.936 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.641 3.247 -6.196 1.00 0.00 H new ATOM 678 N VAL A 50 -4.354 2.352 -2.460 1.00 0.00 N ATOM 679 CA VAL A 50 -3.789 1.214 -3.257 1.00 0.00 C ATOM 680 C VAL A 50 -4.655 -0.015 -3.005 1.00 0.00 C ATOM 681 O VAL A 50 -5.531 0.003 -2.167 1.00 0.00 O ATOM 682 CB VAL A 50 -2.310 0.922 -2.879 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.618 2.211 -2.432 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.224 -0.118 -1.748 1.00 0.00 C ATOM 0 H VAL A 50 -4.654 2.109 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.797 1.479 -4.314 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.811 0.523 -3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.582 1.996 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.643 2.938 -3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.135 2.619 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.178 -0.304 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.741 0.260 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.691 -1.048 -2.072 1.00 0.00 H new ATOM 694 N TYR A 51 -4.432 -1.077 -3.736 1.00 0.00 N ATOM 695 CA TYR A 51 -5.242 -2.307 -3.554 1.00 0.00 C ATOM 696 C TYR A 51 -4.322 -3.467 -3.152 1.00 0.00 C ATOM 697 O TYR A 51 -3.499 -3.937 -3.912 1.00 0.00 O ATOM 698 CB TYR A 51 -5.919 -2.592 -4.882 1.00 0.00 C ATOM 699 CG TYR A 51 -6.920 -1.496 -5.173 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.197 -1.496 -4.581 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.562 -0.460 -6.046 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.098 -0.467 -4.884 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.465 0.556 -6.332 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.724 0.558 -5.754 1.00 0.00 C ATOM 705 OH TYR A 51 -9.600 1.568 -6.070 1.00 0.00 O ATOM 0 H TYR A 51 -3.714 -1.140 -4.458 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.988 -2.184 -2.769 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.177 -2.645 -5.679 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.420 -3.560 -4.849 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.480 -2.283 -3.898 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.581 -0.451 -6.498 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.084 -0.467 -4.443 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.184 1.349 -7.009 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.426 1.458 -5.554 1.00 0.00 H new ATOM 715 N VAL A 52 -4.491 -3.925 -1.941 1.00 0.00 N ATOM 716 CA VAL A 52 -3.673 -5.062 -1.425 1.00 0.00 C ATOM 717 C VAL A 52 -4.382 -6.371 -1.750 1.00 0.00 C ATOM 718 O VAL A 52 -5.553 -6.539 -1.469 1.00 0.00 O ATOM 719 CB VAL A 52 -3.510 -4.966 0.085 1.00 0.00 C ATOM 720 CG1 VAL A 52 -2.785 -6.218 0.610 1.00 0.00 C ATOM 721 CG2 VAL A 52 -2.701 -3.712 0.451 1.00 0.00 C ATOM 0 H VAL A 52 -5.171 -3.554 -1.277 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.690 -5.025 -1.895 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.497 -4.899 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.670 -6.145 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.369 -7.106 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.802 -6.291 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.591 -3.653 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.716 -3.767 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.222 -2.825 0.091 1.00 0.00 H new ATOM 731 N ASN A 53 -3.683 -7.307 -2.328 1.00 0.00 N ATOM 732 CA ASN A 53 -4.331 -8.608 -2.643 1.00 0.00 C ATOM 733 C ASN A 53 -5.057 -9.108 -1.387 1.00 0.00 C ATOM 734 O ASN A 53 -4.469 -9.245 -0.333 1.00 0.00 O ATOM 735 CB ASN A 53 -3.266 -9.610 -3.099 1.00 0.00 C ATOM 736 CG ASN A 53 -3.801 -11.043 -3.044 1.00 0.00 C ATOM 737 OD1 ASN A 53 -4.981 -11.263 -2.846 1.00 0.00 O ATOM 738 ND2 ASN A 53 -2.971 -12.033 -3.216 1.00 0.00 N ATOM 0 H ASN A 53 -2.701 -7.229 -2.593 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.055 -8.492 -3.449 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.952 -9.374 -4.116 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.384 -9.523 -2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -3.310 -12.994 -3.185 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.982 -11.846 -3.382 1.00 0.00 H new ATOM 745 N GLU A 54 -6.341 -9.329 -1.485 1.00 0.00 N ATOM 746 CA GLU A 54 -7.149 -9.780 -0.312 1.00 0.00 C ATOM 747 C GLU A 54 -6.472 -10.941 0.430 1.00 0.00 C ATOM 748 O GLU A 54 -6.984 -11.417 1.421 1.00 0.00 O ATOM 749 CB GLU A 54 -8.523 -10.242 -0.799 1.00 0.00 C ATOM 750 CG GLU A 54 -8.346 -11.237 -1.947 1.00 0.00 C ATOM 751 CD GLU A 54 -9.711 -11.789 -2.363 1.00 0.00 C ATOM 752 OE1 GLU A 54 -10.351 -11.167 -3.195 1.00 0.00 O ATOM 753 OE2 GLU A 54 -10.093 -12.824 -1.843 1.00 0.00 O ATOM 0 H GLU A 54 -6.875 -9.214 -2.346 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.241 -8.940 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.074 -10.707 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.110 -9.386 -1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.867 -10.748 -2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.692 -12.052 -1.638 1.00 0.00 H new ATOM 760 N ALA A 55 -5.348 -11.417 -0.028 1.00 0.00 N ATOM 761 CA ALA A 55 -4.683 -12.558 0.665 1.00 0.00 C ATOM 762 C ALA A 55 -3.747 -12.064 1.778 1.00 0.00 C ATOM 763 O ALA A 55 -3.312 -12.847 2.599 1.00 0.00 O ATOM 764 CB ALA A 55 -3.872 -13.369 -0.339 1.00 0.00 C ATOM 0 H ALA A 55 -4.860 -11.066 -0.852 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.461 -13.178 1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.388 -14.201 0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.534 -13.755 -1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.113 -12.732 -0.793 1.00 0.00 H new ATOM 770 N PHE A 56 -3.413 -10.794 1.832 1.00 0.00 N ATOM 771 CA PHE A 56 -2.493 -10.278 2.896 1.00 0.00 C ATOM 772 C PHE A 56 -3.258 -9.244 3.732 1.00 0.00 C ATOM 773 O PHE A 56 -2.791 -8.774 4.738 1.00 0.00 O ATOM 774 CB PHE A 56 -1.292 -9.618 2.190 1.00 0.00 C ATOM 775 CG PHE A 56 -0.531 -10.679 1.418 1.00 0.00 C ATOM 776 CD1 PHE A 56 -1.077 -11.231 0.256 1.00 0.00 C ATOM 777 CD2 PHE A 56 0.707 -11.133 1.888 1.00 0.00 C ATOM 778 CE1 PHE A 56 -0.387 -12.236 -0.430 1.00 0.00 C ATOM 779 CE2 PHE A 56 1.399 -12.129 1.193 1.00 0.00 C ATOM 780 CZ PHE A 56 0.851 -12.688 0.040 1.00 0.00 C ATOM 0 H PHE A 56 -3.743 -10.086 1.176 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.142 -11.075 3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.636 -8.835 1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.639 -9.143 2.922 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.031 -10.882 -0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.128 -10.713 2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.811 -12.665 -1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.361 -12.466 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.380 -13.467 -0.489 1.00 0.00 H new ATOM 790 N THR A 57 -4.444 -8.906 3.302 1.00 0.00 N ATOM 791 CA THR A 57 -5.275 -7.911 4.046 1.00 0.00 C ATOM 792 C THR A 57 -5.749 -8.497 5.380 1.00 0.00 C ATOM 793 O THR A 57 -5.788 -7.819 6.388 1.00 0.00 O ATOM 794 CB THR A 57 -6.517 -7.565 3.219 1.00 0.00 C ATOM 795 OG1 THR A 57 -7.169 -8.765 2.825 1.00 0.00 O ATOM 796 CG2 THR A 57 -6.115 -6.783 1.973 1.00 0.00 C ATOM 0 H THR A 57 -4.878 -9.280 2.458 1.00 0.00 H new ATOM 0 HA THR A 57 -4.667 -7.025 4.226 1.00 0.00 H new ATOM 0 HB THR A 57 -7.189 -6.957 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.043 -8.550 2.438 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.005 -6.542 1.392 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.613 -5.861 2.268 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.439 -7.386 1.367 1.00 0.00 H new ATOM 804 N ASP A 58 -6.128 -9.746 5.385 1.00 0.00 N ATOM 805 CA ASP A 58 -6.620 -10.368 6.649 1.00 0.00 C ATOM 806 C ASP A 58 -5.449 -10.981 7.403 1.00 0.00 C ATOM 807 O ASP A 58 -5.619 -11.769 8.309 1.00 0.00 O ATOM 808 CB ASP A 58 -7.644 -11.458 6.309 1.00 0.00 C ATOM 809 CG ASP A 58 -6.938 -12.636 5.636 1.00 0.00 C ATOM 810 OD1 ASP A 58 -6.426 -12.444 4.543 1.00 0.00 O ATOM 811 OD2 ASP A 58 -6.918 -13.706 6.219 1.00 0.00 O ATOM 0 H ASP A 58 -6.119 -10.362 4.572 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.090 -9.609 7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.148 -11.793 7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.412 -11.056 5.648 1.00 0.00 H new ATOM 816 N LYS A 59 -4.264 -10.630 7.012 1.00 0.00 N ATOM 817 CA LYS A 59 -3.045 -11.176 7.658 1.00 0.00 C ATOM 818 C LYS A 59 -2.234 -10.009 8.214 1.00 0.00 C ATOM 819 O LYS A 59 -1.784 -10.025 9.342 1.00 0.00 O ATOM 820 CB LYS A 59 -2.269 -11.928 6.584 1.00 0.00 C ATOM 821 CG LYS A 59 -3.276 -12.714 5.707 1.00 0.00 C ATOM 822 CD LYS A 59 -2.593 -13.914 5.035 1.00 0.00 C ATOM 823 CE LYS A 59 -2.146 -14.954 6.081 1.00 0.00 C ATOM 824 NZ LYS A 59 -2.639 -16.297 5.676 1.00 0.00 N ATOM 0 H LYS A 59 -4.083 -9.972 6.254 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.277 -11.853 8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.698 -11.230 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.553 -12.610 7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.107 -13.060 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.694 -12.055 4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.280 -14.378 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.729 -13.573 4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.059 -14.962 6.162 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.537 -14.691 7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.340 -17.003 6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.677 -16.283 5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.245 -16.546 4.746 1.00 0.00 H new ATOM 838 N VAL A 60 -2.064 -8.989 7.432 1.00 0.00 N ATOM 839 CA VAL A 60 -1.301 -7.802 7.911 1.00 0.00 C ATOM 840 C VAL A 60 -2.218 -7.073 8.923 1.00 0.00 C ATOM 841 O VAL A 60 -3.426 -7.175 8.842 1.00 0.00 O ATOM 842 CB VAL A 60 -0.913 -6.929 6.680 1.00 0.00 C ATOM 843 CG1 VAL A 60 -1.415 -5.483 6.796 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.622 -6.954 6.412 1.00 0.00 C ATOM 0 H VAL A 60 -2.419 -8.921 6.478 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.367 -8.058 8.411 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.417 -7.380 5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.116 -4.922 5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.502 -5.481 6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.984 -5.018 7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.850 -6.333 5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.150 -6.568 7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.941 -7.978 6.218 1.00 0.00 H new ATOM 854 N PRO A 61 -1.658 -6.395 9.892 1.00 0.00 N ATOM 855 CA PRO A 61 -2.445 -5.708 10.959 1.00 0.00 C ATOM 856 C PRO A 61 -3.694 -4.974 10.440 1.00 0.00 C ATOM 857 O PRO A 61 -3.603 -3.973 9.755 1.00 0.00 O ATOM 858 CB PRO A 61 -1.442 -4.729 11.618 1.00 0.00 C ATOM 859 CG PRO A 61 -0.116 -4.930 10.922 1.00 0.00 C ATOM 860 CD PRO A 61 -0.222 -6.204 10.075 1.00 0.00 C ATOM 0 HA PRO A 61 -2.852 -6.436 11.661 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.782 -3.699 11.513 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.352 -4.928 12.686 1.00 0.00 H new ATOM 0 HG2 PRO A 61 0.120 -4.071 10.293 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.689 -5.022 11.651 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.289 -6.090 9.119 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.232 -7.057 10.580 1.00 0.00 H new ATOM 868 N ALA A 62 -4.857 -5.487 10.775 1.00 0.00 N ATOM 869 CA ALA A 62 -6.143 -4.887 10.351 1.00 0.00 C ATOM 870 C ALA A 62 -6.052 -3.373 10.331 1.00 0.00 C ATOM 871 O ALA A 62 -5.660 -2.730 11.281 1.00 0.00 O ATOM 872 CB ALA A 62 -7.240 -5.309 11.326 1.00 0.00 C ATOM 0 H ALA A 62 -4.959 -6.327 11.345 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.375 -5.237 9.345 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.189 -4.870 11.018 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.327 -6.396 11.328 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.988 -4.963 12.329 1.00 0.00 H new ATOM 878 N ALA A 63 -6.421 -2.824 9.236 1.00 0.00 N ATOM 879 CA ALA A 63 -6.392 -1.344 9.062 1.00 0.00 C ATOM 880 C ALA A 63 -7.083 -0.664 10.253 1.00 0.00 C ATOM 881 O ALA A 63 -8.032 -1.172 10.819 1.00 0.00 O ATOM 882 CB ALA A 63 -7.113 -0.980 7.753 1.00 0.00 C ATOM 0 H ALA A 63 -6.754 -3.340 8.421 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.359 -0.999 9.017 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.097 0.101 7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.608 -1.459 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.146 -1.324 7.799 1.00 0.00 H new ATOM 888 N ASN A 64 -6.584 0.477 10.652 1.00 0.00 N ATOM 889 CA ASN A 64 -7.179 1.194 11.818 1.00 0.00 C ATOM 890 C ASN A 64 -8.371 2.037 11.366 1.00 0.00 C ATOM 891 O ASN A 64 -8.503 2.390 10.215 1.00 0.00 O ATOM 892 CB ASN A 64 -6.127 2.100 12.470 1.00 0.00 C ATOM 893 CG ASN A 64 -5.210 2.680 11.396 1.00 0.00 C ATOM 894 OD1 ASN A 64 -5.653 3.410 10.532 1.00 0.00 O ATOM 895 ND2 ASN A 64 -3.939 2.389 11.409 1.00 0.00 N ATOM 0 H ASN A 64 -5.787 0.944 10.219 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.519 0.456 12.545 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.616 2.905 13.018 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.542 1.532 13.193 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.320 2.774 10.695 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.563 1.776 12.133 1.00 0.00 H new ATOM 902 N GLU A 65 -9.242 2.344 12.281 1.00 0.00 N ATOM 903 CA GLU A 65 -10.452 3.144 11.947 1.00 0.00 C ATOM 904 C GLU A 65 -10.064 4.468 11.280 1.00 0.00 C ATOM 905 O GLU A 65 -10.897 5.124 10.683 1.00 0.00 O ATOM 906 CB GLU A 65 -11.259 3.423 13.219 1.00 0.00 C ATOM 907 CG GLU A 65 -10.326 3.896 14.335 1.00 0.00 C ATOM 908 CD GLU A 65 -11.156 4.494 15.469 1.00 0.00 C ATOM 909 OE1 GLU A 65 -11.661 5.590 15.298 1.00 0.00 O ATOM 910 OE2 GLU A 65 -11.272 3.844 16.497 1.00 0.00 O ATOM 0 H GLU A 65 -9.167 2.071 13.261 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.061 2.570 11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.016 4.181 13.020 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.785 2.521 13.531 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.731 3.061 14.706 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.627 4.639 13.950 1.00 0.00 H new ATOM 917 N ARG A 66 -8.822 4.875 11.337 1.00 0.00 N ATOM 918 CA ARG A 66 -8.447 6.150 10.675 1.00 0.00 C ATOM 919 C ARG A 66 -8.396 5.908 9.162 1.00 0.00 C ATOM 920 O ARG A 66 -8.715 6.769 8.365 1.00 0.00 O ATOM 921 CB ARG A 66 -7.063 6.627 11.170 1.00 0.00 C ATOM 922 CG ARG A 66 -6.831 6.227 12.651 1.00 0.00 C ATOM 923 CD ARG A 66 -6.090 7.352 13.390 1.00 0.00 C ATOM 924 NE ARG A 66 -4.746 7.580 12.784 1.00 0.00 N ATOM 925 CZ ARG A 66 -3.693 6.938 13.224 1.00 0.00 C ATOM 926 NH1 ARG A 66 -3.808 6.055 14.184 1.00 0.00 N ATOM 927 NH2 ARG A 66 -2.523 7.194 12.702 1.00 0.00 N ATOM 0 H ARG A 66 -8.063 4.383 11.808 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.182 6.919 10.915 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.281 6.194 10.546 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.990 7.710 11.067 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.787 6.030 13.137 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.252 5.305 12.701 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.675 8.270 13.347 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.981 7.093 14.443 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.646 8.245 12.017 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.722 5.864 14.594 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.983 5.559 14.522 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.437 7.888 11.959 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.696 6.700 13.037 1.00 0.00 H new ATOM 941 N GLU A 67 -8.001 4.729 8.770 1.00 0.00 N ATOM 942 CA GLU A 67 -7.919 4.390 7.328 1.00 0.00 C ATOM 943 C GLU A 67 -9.329 4.231 6.747 1.00 0.00 C ATOM 944 O GLU A 67 -9.614 4.682 5.654 1.00 0.00 O ATOM 945 CB GLU A 67 -7.138 3.073 7.185 1.00 0.00 C ATOM 946 CG GLU A 67 -6.450 3.006 5.822 1.00 0.00 C ATOM 947 CD GLU A 67 -5.942 1.585 5.580 1.00 0.00 C ATOM 948 OE1 GLU A 67 -4.940 1.225 6.169 1.00 0.00 O ATOM 949 OE2 GLU A 67 -6.564 0.882 4.798 1.00 0.00 O ATOM 0 H GLU A 67 -7.728 3.976 9.401 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.411 5.186 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.395 2.996 7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.816 2.227 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.148 3.294 5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.620 3.712 5.786 1.00 0.00 H new ATOM 956 N ILE A 68 -10.210 3.586 7.459 1.00 0.00 N ATOM 957 CA ILE A 68 -11.591 3.393 6.940 1.00 0.00 C ATOM 958 C ILE A 68 -12.195 4.758 6.569 1.00 0.00 C ATOM 959 O ILE A 68 -12.846 4.904 5.553 1.00 0.00 O ATOM 960 CB ILE A 68 -12.450 2.700 8.013 1.00 0.00 C ATOM 961 CG1 ILE A 68 -12.149 1.192 8.042 1.00 0.00 C ATOM 962 CG2 ILE A 68 -13.942 2.895 7.715 1.00 0.00 C ATOM 963 CD1 ILE A 68 -10.642 0.945 8.103 1.00 0.00 C ATOM 0 H ILE A 68 -10.032 3.184 8.379 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.566 2.765 6.049 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.208 3.146 8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.633 0.736 8.906 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.565 0.715 7.155 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.534 2.399 8.484 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -14.176 3.960 7.708 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.178 2.465 6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.450 -0.128 8.123 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.166 1.383 7.226 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.234 1.403 9.004 1.00 0.00 H new ATOM 975 N GLY A 69 -11.999 5.752 7.396 1.00 0.00 N ATOM 976 CA GLY A 69 -12.581 7.089 7.083 1.00 0.00 C ATOM 977 C GLY A 69 -11.802 7.748 5.947 1.00 0.00 C ATOM 978 O GLY A 69 -12.358 8.481 5.156 1.00 0.00 O ATOM 0 H GLY A 69 -11.467 5.697 8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.628 6.981 6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.553 7.723 7.969 1.00 0.00 H new ATOM 982 N MET A 70 -10.528 7.481 5.834 1.00 0.00 N ATOM 983 CA MET A 70 -9.742 8.081 4.722 1.00 0.00 C ATOM 984 C MET A 70 -10.019 7.268 3.461 1.00 0.00 C ATOM 985 O MET A 70 -9.918 7.754 2.353 1.00 0.00 O ATOM 986 CB MET A 70 -8.250 8.029 5.062 1.00 0.00 C ATOM 987 CG MET A 70 -7.917 9.139 6.061 1.00 0.00 C ATOM 988 SD MET A 70 -6.145 9.108 6.448 1.00 0.00 S ATOM 989 CE MET A 70 -6.222 8.078 7.936 1.00 0.00 C ATOM 0 H MET A 70 -10.001 6.875 6.463 1.00 0.00 H new ATOM 0 HA MET A 70 -10.026 9.122 4.569 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.996 7.057 5.484 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.655 8.149 4.157 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.191 10.109 5.645 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.500 9.007 6.973 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.231 8.011 8.384 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.914 8.523 8.651 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.568 7.079 7.670 1.00 0.00 H new ATOM 999 N LEU A 71 -10.389 6.028 3.639 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.701 5.166 2.471 1.00 0.00 C ATOM 1001 C LEU A 71 -11.982 5.685 1.819 1.00 0.00 C ATOM 1002 O LEU A 71 -12.182 5.546 0.639 1.00 0.00 O ATOM 1003 CB LEU A 71 -10.899 3.713 2.947 1.00 0.00 C ATOM 1004 CG LEU A 71 -9.555 2.952 2.925 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -9.594 1.799 3.934 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -9.296 2.381 1.528 1.00 0.00 C ATOM 0 H LEU A 71 -10.488 5.577 4.548 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.885 5.190 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.311 3.707 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.621 3.208 2.305 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.757 3.647 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.644 1.266 3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.766 2.196 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.400 1.114 3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.346 1.847 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.100 1.695 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.258 3.195 0.804 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.854 6.294 2.565 1.00 0.00 N ATOM 1019 CA GLU A 72 -14.103 6.821 1.954 1.00 0.00 C ATOM 1020 C GLU A 72 -13.790 8.164 1.291 1.00 0.00 C ATOM 1021 O GLU A 72 -14.612 8.747 0.609 1.00 0.00 O ATOM 1022 CB GLU A 72 -15.155 7.014 3.053 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.346 7.807 2.502 1.00 0.00 C ATOM 1024 CD GLU A 72 -17.560 7.617 3.414 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -17.918 6.476 3.657 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -18.109 8.613 3.856 1.00 0.00 O ATOM 0 H GLU A 72 -12.758 6.450 3.568 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.488 6.124 1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.491 6.045 3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.716 7.542 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.091 8.865 2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.582 7.472 1.492 1.00 0.00 H new ATOM 1033 N CYS A 73 -12.600 8.660 1.505 1.00 0.00 N ATOM 1034 CA CYS A 73 -12.196 9.978 0.927 1.00 0.00 C ATOM 1035 C CYS A 73 -11.283 9.772 -0.296 1.00 0.00 C ATOM 1036 O CYS A 73 -10.683 10.711 -0.778 1.00 0.00 O ATOM 1037 CB CYS A 73 -11.456 10.787 2.023 1.00 0.00 C ATOM 1038 SG CYS A 73 -12.341 12.336 2.364 1.00 0.00 S ATOM 0 H CYS A 73 -11.880 8.202 2.064 1.00 0.00 H new ATOM 0 HA CYS A 73 -13.080 10.523 0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.381 10.194 2.935 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.438 11.005 1.700 1.00 0.00 H new ATOM 0 HG CYS A 73 -11.711 13.002 3.286 1.00 0.00 H new ATOM 1044 N VAL A 74 -11.150 8.568 -0.793 1.00 0.00 N ATOM 1045 CA VAL A 74 -10.257 8.349 -1.980 1.00 0.00 C ATOM 1046 C VAL A 74 -10.910 8.879 -3.260 1.00 0.00 C ATOM 1047 O VAL A 74 -12.104 9.094 -3.315 1.00 0.00 O ATOM 1048 CB VAL A 74 -9.993 6.846 -2.133 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -9.334 6.318 -0.854 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.319 6.076 -2.402 1.00 0.00 C ATOM 0 H VAL A 74 -11.614 7.733 -0.435 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.322 8.886 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.330 6.689 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.144 5.250 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.392 6.840 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.997 6.488 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.107 5.012 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.004 6.229 -1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.776 6.447 -3.319 1.00 0.00 H new ATOM 1060 N THR A 75 -10.130 9.095 -4.283 1.00 0.00 N ATOM 1061 CA THR A 75 -10.691 9.620 -5.563 1.00 0.00 C ATOM 1062 C THR A 75 -11.096 8.473 -6.497 1.00 0.00 C ATOM 1063 O THR A 75 -11.887 8.670 -7.404 1.00 0.00 O ATOM 1064 CB THR A 75 -9.629 10.475 -6.260 1.00 0.00 C ATOM 1065 OG1 THR A 75 -9.151 11.460 -5.349 1.00 0.00 O ATOM 1066 CG2 THR A 75 -10.235 11.158 -7.481 1.00 0.00 C ATOM 0 H THR A 75 -9.123 8.930 -4.289 1.00 0.00 H new ATOM 0 HA THR A 75 -11.576 10.215 -5.336 1.00 0.00 H new ATOM 0 HB THR A 75 -8.803 9.840 -6.581 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.697 12.270 -5.427 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.475 11.765 -7.973 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.602 10.403 -8.176 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.062 11.795 -7.168 1.00 0.00 H new ATOM 1074 N ALA A 76 -10.563 7.282 -6.321 1.00 0.00 N ATOM 1075 CA ALA A 76 -10.925 6.148 -7.243 1.00 0.00 C ATOM 1076 C ALA A 76 -11.976 5.244 -6.580 1.00 0.00 C ATOM 1077 O ALA A 76 -12.477 5.535 -5.506 1.00 0.00 O ATOM 1078 CB ALA A 76 -9.659 5.334 -7.542 1.00 0.00 C ATOM 0 H ALA A 76 -9.898 7.046 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.341 6.547 -8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.906 4.508 -8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.918 5.976 -8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.252 4.939 -6.611 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.338 4.165 -7.226 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.383 3.242 -6.682 1.00 0.00 C ATOM 1086 C GLU A 77 -12.821 2.389 -5.543 1.00 0.00 C ATOM 1087 O GLU A 77 -11.802 1.758 -5.669 1.00 0.00 O ATOM 1088 CB GLU A 77 -13.853 2.346 -7.861 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.756 0.835 -7.563 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.347 0.043 -8.731 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.549 -0.167 -8.730 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -13.587 -0.344 -9.604 1.00 0.00 O ATOM 0 H GLU A 77 -11.947 3.879 -8.124 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.218 3.808 -6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.886 2.594 -8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.253 2.574 -8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.715 0.551 -7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.292 0.600 -6.643 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.493 2.346 -4.434 1.00 0.00 N ATOM 1100 CA LEU A 78 -12.988 1.506 -3.314 1.00 0.00 C ATOM 1101 C LEU A 78 -13.354 0.049 -3.555 1.00 0.00 C ATOM 1102 O LEU A 78 -14.225 -0.287 -4.329 1.00 0.00 O ATOM 1103 CB LEU A 78 -13.557 1.999 -1.969 1.00 0.00 C ATOM 1104 CG LEU A 78 -12.511 1.763 -0.867 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -11.369 2.798 -0.982 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -13.176 1.841 0.509 1.00 0.00 C ATOM 0 H LEU A 78 -14.361 2.849 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.902 1.590 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.806 3.058 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.479 1.468 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.083 0.768 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.636 2.619 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.888 2.702 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.777 3.803 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.429 1.673 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.622 2.827 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.952 1.079 0.582 1.00 0.00 H new ATOM 1118 N LYS A 79 -12.638 -0.806 -2.893 1.00 0.00 N ATOM 1119 CA LYS A 79 -12.827 -2.269 -3.038 1.00 0.00 C ATOM 1120 C LYS A 79 -13.133 -2.857 -1.660 1.00 0.00 C ATOM 1121 O LYS A 79 -12.802 -2.271 -0.646 1.00 0.00 O ATOM 1122 CB LYS A 79 -11.489 -2.825 -3.544 1.00 0.00 C ATOM 1123 CG LYS A 79 -11.384 -2.713 -5.072 1.00 0.00 C ATOM 1124 CD LYS A 79 -12.152 -3.854 -5.756 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.751 -3.919 -7.225 1.00 0.00 C ATOM 1126 NZ LYS A 79 -10.281 -4.145 -7.336 1.00 0.00 N ATOM 0 H LYS A 79 -11.905 -0.542 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.641 -2.514 -3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.667 -2.281 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.389 -3.869 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.783 -1.753 -5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.337 -2.742 -5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.932 -4.802 -5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.226 -3.690 -5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.291 -4.724 -7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.025 -2.992 -7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.071 -4.630 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.786 -3.230 -7.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.959 -4.733 -6.541 1.00 0.00 H new ATOM 1140 N PRO A 80 -13.729 -4.014 -1.593 1.00 0.00 N ATOM 1141 CA PRO A 80 -14.022 -4.661 -0.296 1.00 0.00 C ATOM 1142 C PRO A 80 -12.722 -4.817 0.503 1.00 0.00 C ATOM 1143 O PRO A 80 -12.694 -4.637 1.702 1.00 0.00 O ATOM 1144 CB PRO A 80 -14.634 -6.029 -0.676 1.00 0.00 C ATOM 1145 CG PRO A 80 -14.318 -6.222 -2.125 1.00 0.00 C ATOM 1146 CD PRO A 80 -14.190 -4.824 -2.732 1.00 0.00 C ATOM 0 HA PRO A 80 -14.702 -4.087 0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.208 -6.830 -0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.710 -6.038 -0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.393 -6.785 -2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.105 -6.790 -2.621 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.477 -4.805 -3.556 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.141 -4.465 -3.125 1.00 0.00 H new ATOM 1154 N ASN A 81 -11.643 -5.147 -0.170 1.00 0.00 N ATOM 1155 CA ASN A 81 -10.320 -5.320 0.506 1.00 0.00 C ATOM 1156 C ASN A 81 -9.361 -4.183 0.108 1.00 0.00 C ATOM 1157 O ASN A 81 -8.160 -4.366 0.076 1.00 0.00 O ATOM 1158 CB ASN A 81 -9.724 -6.697 0.126 1.00 0.00 C ATOM 1159 CG ASN A 81 -8.849 -6.605 -1.125 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -7.887 -7.334 -1.267 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -9.142 -5.738 -2.053 1.00 0.00 N ATOM 0 H ASN A 81 -11.626 -5.306 -1.177 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.459 -5.280 1.586 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.132 -7.080 0.957 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.531 -7.409 -0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.565 -5.674 -2.892 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.948 -5.123 -1.940 1.00 0.00 H new ATOM 1168 N SER A 82 -9.868 -3.008 -0.169 1.00 0.00 N ATOM 1169 CA SER A 82 -8.983 -1.866 -0.540 1.00 0.00 C ATOM 1170 C SER A 82 -8.190 -1.440 0.700 1.00 0.00 C ATOM 1171 O SER A 82 -8.678 -1.512 1.805 1.00 0.00 O ATOM 1172 CB SER A 82 -9.859 -0.711 -1.007 1.00 0.00 C ATOM 1173 OG SER A 82 -9.458 -0.340 -2.307 1.00 0.00 O ATOM 0 H SER A 82 -10.865 -2.791 -0.153 1.00 0.00 H new ATOM 0 HA SER A 82 -8.294 -2.152 -1.335 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.908 -1.007 -1.005 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.765 0.135 -0.326 1.00 0.00 H new ATOM 0 HG SER A 82 -9.100 -1.123 -2.775 1.00 0.00 H new ATOM 1179 N ARG A 83 -6.972 -1.009 0.515 1.00 0.00 N ATOM 1180 CA ARG A 83 -6.138 -0.597 1.685 1.00 0.00 C ATOM 1181 C ARG A 83 -5.272 0.597 1.328 1.00 0.00 C ATOM 1182 O ARG A 83 -5.226 1.037 0.189 1.00 0.00 O ATOM 1183 CB ARG A 83 -5.205 -1.750 2.095 1.00 0.00 C ATOM 1184 CG ARG A 83 -5.982 -2.851 2.836 1.00 0.00 C ATOM 1185 CD ARG A 83 -6.077 -2.528 4.331 1.00 0.00 C ATOM 1186 NE ARG A 83 -7.071 -3.443 4.961 1.00 0.00 N ATOM 1187 CZ ARG A 83 -6.893 -3.899 6.182 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -5.833 -3.567 6.865 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -7.786 -4.686 6.713 1.00 0.00 N ATOM 0 H ARG A 83 -6.517 -0.924 -0.394 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.811 -0.338 2.502 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.729 -2.170 1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.409 -1.369 2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.983 -2.945 2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.486 -3.811 2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.103 -2.646 4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.377 -1.490 4.474 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.902 -3.720 4.438 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.134 -2.949 6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.703 -3.925 7.811 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.618 -4.945 6.182 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.653 -5.043 7.659 1.00 0.00 H new ATOM 1203 N LEU A 84 -4.560 1.100 2.299 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.640 2.254 2.065 1.00 0.00 C ATOM 1205 C LEU A 84 -2.204 1.754 2.267 1.00 0.00 C ATOM 1206 O LEU A 84 -1.993 0.612 2.602 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.984 3.388 3.056 1.00 0.00 C ATOM 1208 CG LEU A 84 -4.978 4.364 2.394 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -6.252 3.619 1.993 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -5.326 5.498 3.369 1.00 0.00 C ATOM 0 H LEU A 84 -4.576 0.756 3.259 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.746 2.650 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.417 2.972 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.077 3.918 3.348 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.516 4.788 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.949 4.315 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.003 2.827 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.713 3.184 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.028 6.183 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.779 5.079 4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.418 6.038 3.638 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.213 2.573 2.011 1.00 0.00 N ATOM 1223 CA CYS A 85 0.211 2.104 2.130 1.00 0.00 C ATOM 1224 C CYS A 85 0.919 2.685 3.367 1.00 0.00 C ATOM 1225 O CYS A 85 1.959 2.198 3.763 1.00 0.00 O ATOM 1226 CB CYS A 85 0.964 2.547 0.874 1.00 0.00 C ATOM 1227 SG CYS A 85 2.703 2.072 1.006 1.00 0.00 S ATOM 0 H CYS A 85 -1.324 3.546 1.725 1.00 0.00 H new ATOM 0 HA CYS A 85 0.205 1.019 2.237 1.00 0.00 H new ATOM 0 HB2 CYS A 85 0.518 2.089 -0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.880 3.627 0.750 1.00 0.00 H new ATOM 0 HG CYS A 85 2.972 1.746 2.235 1.00 0.00 H new ATOM 1233 N CYS A 86 0.404 3.733 3.961 1.00 0.00 N ATOM 1234 CA CYS A 86 1.111 4.335 5.146 1.00 0.00 C ATOM 1235 C CYS A 86 0.569 3.782 6.476 1.00 0.00 C ATOM 1236 O CYS A 86 0.902 4.283 7.532 1.00 0.00 O ATOM 1237 CB CYS A 86 0.935 5.855 5.136 1.00 0.00 C ATOM 1238 SG CYS A 86 -0.783 6.275 5.507 1.00 0.00 S ATOM 0 H CYS A 86 -0.462 4.196 3.686 1.00 0.00 H new ATOM 0 HA CYS A 86 2.166 4.071 5.067 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.598 6.312 5.871 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.215 6.256 4.162 1.00 0.00 H new ATOM 1243 N GLN A 87 -0.245 2.754 6.444 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.787 2.170 7.722 1.00 0.00 C ATOM 1245 C GLN A 87 -0.568 0.648 7.737 1.00 0.00 C ATOM 1246 O GLN A 87 -1.122 -0.054 8.562 1.00 0.00 O ATOM 1247 CB GLN A 87 -2.287 2.470 7.830 1.00 0.00 C ATOM 1248 CG GLN A 87 -2.502 3.975 8.035 1.00 0.00 C ATOM 1249 CD GLN A 87 -2.064 4.378 9.447 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -2.965 4.533 10.380 1.00 0.00 O flip ATOM 1251 NE2 GLN A 87 -0.891 4.562 9.703 1.00 0.00 N flip ATOM 0 H GLN A 87 -0.560 2.291 5.591 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.264 2.617 8.567 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.799 2.140 6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.719 1.915 8.662 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.933 4.537 7.294 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.553 4.225 7.886 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.185 4.442 8.976 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.612 4.837 10.645 1.00 0.00 H new ATOM 1260 N ILE A 88 0.224 0.138 6.823 1.00 0.00 N ATOM 1261 CA ILE A 88 0.475 -1.349 6.760 1.00 0.00 C ATOM 1262 C ILE A 88 1.952 -1.682 7.033 1.00 0.00 C ATOM 1263 O ILE A 88 2.844 -1.127 6.448 1.00 0.00 O ATOM 1264 CB ILE A 88 0.064 -1.876 5.362 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -1.472 -2.020 5.330 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.741 -3.238 5.100 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -1.961 -2.443 3.940 1.00 0.00 C ATOM 0 H ILE A 88 0.711 0.685 6.113 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.122 -1.834 7.532 1.00 0.00 H new ATOM 0 HB ILE A 88 0.382 -1.182 4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.786 -2.757 6.069 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.934 -1.073 5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.450 -3.606 4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.824 -3.119 5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.428 -3.952 5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.047 -2.536 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.667 -1.692 3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.517 -3.402 3.674 1.00 0.00 H new ATOM 1279 N ILE A 89 2.183 -2.600 7.950 1.00 0.00 N ATOM 1280 CA ILE A 89 3.576 -3.018 8.326 1.00 0.00 C ATOM 1281 C ILE A 89 3.938 -4.345 7.650 1.00 0.00 C ATOM 1282 O ILE A 89 3.279 -5.348 7.844 1.00 0.00 O ATOM 1283 CB ILE A 89 3.648 -3.236 9.838 1.00 0.00 C ATOM 1284 CG1 ILE A 89 3.129 -1.996 10.582 1.00 0.00 C ATOM 1285 CG2 ILE A 89 5.096 -3.516 10.245 1.00 0.00 C ATOM 1286 CD1 ILE A 89 3.854 -0.735 10.099 1.00 0.00 C ATOM 0 H ILE A 89 1.447 -3.086 8.463 1.00 0.00 H new ATOM 0 HA ILE A 89 4.266 -2.236 8.008 1.00 0.00 H new ATOM 0 HB ILE A 89 3.023 -4.089 10.103 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.056 -1.890 10.420 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.278 -2.120 11.655 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.147 -3.671 11.323 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.452 -4.410 9.732 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.722 -2.667 9.971 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.473 0.133 10.637 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.923 -0.836 10.285 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.682 -0.603 9.031 1.00 0.00 H new ATOM 1298 N MET A 90 4.971 -4.357 6.850 1.00 0.00 N ATOM 1299 CA MET A 90 5.354 -5.615 6.153 1.00 0.00 C ATOM 1300 C MET A 90 6.122 -6.533 7.108 1.00 0.00 C ATOM 1301 O MET A 90 6.706 -6.103 8.078 1.00 0.00 O ATOM 1302 CB MET A 90 6.200 -5.281 4.909 1.00 0.00 C ATOM 1303 CG MET A 90 5.882 -6.279 3.791 1.00 0.00 C ATOM 1304 SD MET A 90 4.141 -6.091 3.293 1.00 0.00 S ATOM 1305 CE MET A 90 3.550 -7.763 3.715 1.00 0.00 C ATOM 0 H MET A 90 5.564 -3.551 6.651 1.00 0.00 H new ATOM 0 HA MET A 90 4.455 -6.139 5.830 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.989 -4.265 4.575 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.261 -5.321 5.156 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.537 -6.107 2.937 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.066 -7.297 4.134 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.656 -7.990 3.134 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.327 -8.492 3.486 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.313 -7.807 4.778 1.00 0.00 H new ATOM 1315 N THR A 91 6.124 -7.804 6.806 1.00 0.00 N ATOM 1316 CA THR A 91 6.853 -8.789 7.658 1.00 0.00 C ATOM 1317 C THR A 91 7.329 -9.940 6.771 1.00 0.00 C ATOM 1318 O THR A 91 6.689 -10.265 5.791 1.00 0.00 O ATOM 1319 CB THR A 91 5.914 -9.342 8.729 1.00 0.00 C ATOM 1320 OG1 THR A 91 4.676 -9.703 8.134 1.00 0.00 O ATOM 1321 CG2 THR A 91 5.676 -8.291 9.810 1.00 0.00 C ATOM 0 H THR A 91 5.648 -8.206 5.998 1.00 0.00 H new ATOM 0 HA THR A 91 7.701 -8.302 8.140 1.00 0.00 H new ATOM 0 HB THR A 91 6.370 -10.221 9.184 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.075 -10.059 8.821 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.006 -8.695 10.569 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.626 -8.022 10.271 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.226 -7.405 9.363 1.00 0.00 H new ATOM 1329 N PRO A 92 8.438 -10.558 7.095 1.00 0.00 N ATOM 1330 CA PRO A 92 8.982 -11.680 6.277 1.00 0.00 C ATOM 1331 C PRO A 92 7.963 -12.812 6.120 1.00 0.00 C ATOM 1332 O PRO A 92 7.804 -13.367 5.045 1.00 0.00 O ATOM 1333 CB PRO A 92 10.225 -12.149 7.066 1.00 0.00 C ATOM 1334 CG PRO A 92 10.070 -11.574 8.438 1.00 0.00 C ATOM 1335 CD PRO A 92 9.292 -10.278 8.264 1.00 0.00 C ATOM 0 HA PRO A 92 9.222 -11.371 5.260 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.280 -13.237 7.101 1.00 0.00 H new ATOM 0 HB3 PRO A 92 11.144 -11.798 6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.537 -12.264 9.092 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.042 -11.387 8.895 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.701 -10.041 9.148 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.954 -9.431 8.086 1.00 0.00 H new ATOM 1343 N GLU A 93 7.279 -13.168 7.167 1.00 0.00 N ATOM 1344 CA GLU A 93 6.287 -14.271 7.056 1.00 0.00 C ATOM 1345 C GLU A 93 5.289 -13.953 5.934 1.00 0.00 C ATOM 1346 O GLU A 93 4.836 -14.833 5.231 1.00 0.00 O ATOM 1347 CB GLU A 93 5.545 -14.430 8.382 1.00 0.00 C ATOM 1348 CG GLU A 93 5.212 -13.048 8.954 1.00 0.00 C ATOM 1349 CD GLU A 93 4.135 -13.186 10.036 1.00 0.00 C ATOM 1350 OE1 GLU A 93 2.970 -13.223 9.673 1.00 0.00 O ATOM 1351 OE2 GLU A 93 4.495 -13.254 11.200 1.00 0.00 O ATOM 0 H GLU A 93 7.362 -12.746 8.092 1.00 0.00 H new ATOM 0 HA GLU A 93 6.804 -15.202 6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.630 -15.003 8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.158 -14.989 9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.108 -12.592 9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.862 -12.389 8.160 1.00 0.00 H new ATOM 1358 N LEU A 94 4.913 -12.706 5.786 1.00 0.00 N ATOM 1359 CA LEU A 94 3.908 -12.354 4.735 1.00 0.00 C ATOM 1360 C LEU A 94 4.612 -12.060 3.407 1.00 0.00 C ATOM 1361 O LEU A 94 4.084 -11.391 2.548 1.00 0.00 O ATOM 1362 CB LEU A 94 3.070 -11.129 5.194 1.00 0.00 C ATOM 1363 CG LEU A 94 1.796 -11.615 5.927 1.00 0.00 C ATOM 1364 CD1 LEU A 94 1.111 -10.456 6.686 1.00 0.00 C ATOM 1365 CD2 LEU A 94 0.796 -12.236 4.917 1.00 0.00 C ATOM 0 H LEU A 94 5.255 -11.923 6.342 1.00 0.00 H new ATOM 0 HA LEU A 94 3.236 -13.200 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.663 -10.497 5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.796 -10.520 4.333 1.00 0.00 H new ATOM 0 HG LEU A 94 2.098 -12.372 6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.219 -10.828 7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.801 -10.046 7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.829 -9.675 5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.095 -12.573 5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.516 -11.488 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.263 -13.084 4.417 1.00 0.00 H new ATOM 1377 N ASP A 95 5.803 -12.551 3.237 1.00 0.00 N ATOM 1378 CA ASP A 95 6.539 -12.311 1.965 1.00 0.00 C ATOM 1379 C ASP A 95 5.706 -12.806 0.769 1.00 0.00 C ATOM 1380 O ASP A 95 5.123 -13.871 0.802 1.00 0.00 O ATOM 1381 CB ASP A 95 7.864 -13.076 2.012 1.00 0.00 C ATOM 1382 CG ASP A 95 7.584 -14.578 2.114 1.00 0.00 C ATOM 1383 OD1 ASP A 95 6.492 -14.930 2.536 1.00 0.00 O ATOM 1384 OD2 ASP A 95 8.466 -15.350 1.780 1.00 0.00 O ATOM 0 H ASP A 95 6.303 -13.112 3.927 1.00 0.00 H new ATOM 0 HA ASP A 95 6.724 -11.243 1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.450 -12.865 1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.456 -12.747 2.866 1.00 0.00 H new ATOM 1389 N GLY A 96 5.677 -12.041 -0.288 1.00 0.00 N ATOM 1390 CA GLY A 96 4.918 -12.441 -1.528 1.00 0.00 C ATOM 1391 C GLY A 96 3.707 -11.525 -1.699 1.00 0.00 C ATOM 1392 O GLY A 96 2.898 -11.688 -2.592 1.00 0.00 O ATOM 0 H GLY A 96 6.151 -11.141 -0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.566 -12.373 -2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.595 -13.479 -1.451 1.00 0.00 H new ATOM 1396 N ILE A 97 3.564 -10.603 -0.808 1.00 0.00 N ATOM 1397 CA ILE A 97 2.388 -9.674 -0.810 1.00 0.00 C ATOM 1398 C ILE A 97 2.282 -8.922 -2.147 1.00 0.00 C ATOM 1399 O ILE A 97 3.234 -8.331 -2.616 1.00 0.00 O ATOM 1400 CB ILE A 97 2.562 -8.696 0.377 1.00 0.00 C ATOM 1401 CG1 ILE A 97 1.979 -7.291 0.100 1.00 0.00 C ATOM 1402 CG2 ILE A 97 4.052 -8.571 0.712 1.00 0.00 C ATOM 1403 CD1 ILE A 97 0.469 -7.377 -0.140 1.00 0.00 C ATOM 0 H ILE A 97 4.226 -10.439 -0.050 1.00 0.00 H new ATOM 0 HA ILE A 97 1.460 -10.235 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 97 2.004 -9.110 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.182 -6.633 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.468 -6.853 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.181 -7.883 1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.447 -9.550 0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.590 -8.191 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.074 -6.380 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.273 -8.018 -1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.016 -7.795 0.742 1.00 0.00 H new ATOM 1415 N VAL A 98 1.114 -8.939 -2.760 1.00 0.00 N ATOM 1416 CA VAL A 98 0.927 -8.220 -4.063 1.00 0.00 C ATOM 1417 C VAL A 98 0.119 -6.934 -3.837 1.00 0.00 C ATOM 1418 O VAL A 98 -1.023 -6.972 -3.427 1.00 0.00 O ATOM 1419 CB VAL A 98 0.176 -9.126 -5.044 1.00 0.00 C ATOM 1420 CG1 VAL A 98 0.356 -8.608 -6.471 1.00 0.00 C ATOM 1421 CG2 VAL A 98 0.728 -10.550 -4.937 1.00 0.00 C ATOM 0 H VAL A 98 0.285 -9.420 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 98 1.904 -7.965 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.886 -9.126 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.180 -9.256 -7.164 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.039 -7.595 -6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.416 -8.603 -6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.197 -11.199 -5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.790 -10.548 -5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.590 -10.918 -3.920 1.00 0.00 H new ATOM 1431 N VAL A 99 0.705 -5.794 -4.109 1.00 0.00 N ATOM 1432 CA VAL A 99 0.000 -4.491 -3.932 1.00 0.00 C ATOM 1433 C VAL A 99 -0.405 -3.946 -5.300 1.00 0.00 C ATOM 1434 O VAL A 99 0.407 -3.842 -6.193 1.00 0.00 O ATOM 1435 CB VAL A 99 0.970 -3.475 -3.294 1.00 0.00 C ATOM 1436 CG1 VAL A 99 0.180 -2.431 -2.495 1.00 0.00 C ATOM 1437 CG2 VAL A 99 1.962 -4.193 -2.375 1.00 0.00 C ATOM 0 H VAL A 99 1.662 -5.713 -4.453 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.877 -4.640 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 99 1.526 -2.974 -4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.871 -1.717 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.505 -1.905 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.388 -2.928 -1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.640 -3.464 -1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.417 -4.710 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.535 -4.917 -2.954 1.00 0.00 H new ATOM 1447 N ASP A 100 -1.644 -3.607 -5.458 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.124 -3.070 -6.771 1.00 0.00 C ATOM 1449 C ASP A 100 -2.350 -1.557 -6.652 1.00 0.00 C ATOM 1450 O ASP A 100 -3.121 -1.088 -5.833 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.419 -3.811 -7.159 1.00 0.00 C ATOM 1452 CG ASP A 100 -3.107 -4.949 -8.144 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -2.206 -5.722 -7.854 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -3.773 -5.025 -9.157 1.00 0.00 O ATOM 0 H ASP A 100 -2.359 -3.676 -4.734 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.382 -3.233 -7.553 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -3.897 -4.214 -6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.124 -3.113 -7.610 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.664 -0.798 -7.471 1.00 0.00 N ATOM 1460 CA VAL A 101 -1.793 0.691 -7.451 1.00 0.00 C ATOM 1461 C VAL A 101 -2.572 1.143 -8.707 1.00 0.00 C ATOM 1462 O VAL A 101 -2.259 0.721 -9.803 1.00 0.00 O ATOM 1463 CB VAL A 101 -0.397 1.311 -7.469 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -0.508 2.821 -7.263 1.00 0.00 C ATOM 1465 CG2 VAL A 101 0.445 0.700 -6.352 1.00 0.00 C ATOM 0 H VAL A 101 -1.008 -1.156 -8.165 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.324 1.010 -6.554 1.00 0.00 H new ATOM 0 HB VAL A 101 0.078 1.112 -8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.488 3.264 -7.276 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.108 3.254 -8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.983 3.023 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.441 1.142 -6.364 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.028 0.898 -5.390 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.524 -0.377 -6.503 1.00 0.00 H new ATOM 1475 N PRO A 102 -3.583 1.976 -8.567 1.00 0.00 N ATOM 1476 CA PRO A 102 -4.402 2.451 -9.727 1.00 0.00 C ATOM 1477 C PRO A 102 -3.799 3.649 -10.470 1.00 0.00 C ATOM 1478 O PRO A 102 -2.708 4.105 -10.191 1.00 0.00 O ATOM 1479 CB PRO A 102 -5.703 2.882 -9.050 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.255 3.435 -7.748 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.079 2.561 -7.302 1.00 0.00 C ATOM 0 HA PRO A 102 -4.495 1.676 -10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.234 3.629 -9.641 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.382 2.040 -8.915 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.951 4.477 -7.850 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.061 3.409 -7.015 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.309 3.149 -6.803 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.396 1.789 -6.600 1.00 0.00 H new ATOM 1489 N ASP A 103 -4.563 4.181 -11.392 1.00 0.00 N ATOM 1490 CA ASP A 103 -4.136 5.387 -12.155 1.00 0.00 C ATOM 1491 C ASP A 103 -4.678 6.613 -11.424 1.00 0.00 C ATOM 1492 O ASP A 103 -4.249 7.730 -11.629 1.00 0.00 O ATOM 1493 CB ASP A 103 -4.720 5.338 -13.566 1.00 0.00 C ATOM 1494 CG ASP A 103 -6.218 5.037 -13.492 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -6.564 3.964 -13.028 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -6.994 5.887 -13.894 1.00 0.00 O ATOM 0 H ASP A 103 -5.482 3.821 -11.650 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.049 5.428 -12.227 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -4.555 6.289 -14.072 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -4.214 4.572 -14.154 1.00 0.00 H new ATOM 1501 N ARG A 104 -5.635 6.388 -10.556 1.00 0.00 N ATOM 1502 CA ARG A 104 -6.258 7.488 -9.765 1.00 0.00 C ATOM 1503 C ARG A 104 -6.006 7.185 -8.300 1.00 0.00 C ATOM 1504 O ARG A 104 -6.632 6.308 -7.743 1.00 0.00 O ATOM 1505 CB ARG A 104 -7.780 7.488 -10.039 1.00 0.00 C ATOM 1506 CG ARG A 104 -8.133 8.451 -11.184 1.00 0.00 C ATOM 1507 CD ARG A 104 -8.170 9.908 -10.685 1.00 0.00 C ATOM 1508 NE ARG A 104 -6.814 10.500 -10.839 1.00 0.00 N ATOM 1509 CZ ARG A 104 -6.656 11.795 -10.833 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -7.684 12.581 -10.654 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -5.466 12.299 -11.009 1.00 0.00 N ATOM 0 H ARG A 104 -6.017 5.463 -10.361 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.843 8.460 -10.033 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.108 6.480 -10.293 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.316 7.779 -9.136 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.399 8.355 -11.984 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.102 8.182 -11.605 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.900 10.484 -11.254 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.481 9.942 -9.641 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.004 9.890 -10.950 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.613 12.183 -10.518 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.558 13.593 -10.650 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -4.666 11.682 -11.150 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -5.335 13.311 -11.006 1.00 0.00 H new ATOM 1525 N GLN A 105 -5.106 7.890 -7.655 1.00 0.00 N ATOM 1526 CA GLN A 105 -4.824 7.627 -6.211 1.00 0.00 C ATOM 1527 C GLN A 105 -5.158 8.890 -5.411 1.00 0.00 C ATOM 1528 O GLN A 105 -5.310 8.864 -4.208 1.00 0.00 O ATOM 1529 CB GLN A 105 -3.336 7.303 -6.045 1.00 0.00 C ATOM 1530 CG GLN A 105 -2.495 8.501 -6.508 1.00 0.00 C ATOM 1531 CD GLN A 105 -1.049 8.054 -6.721 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -0.682 6.868 -6.323 1.00 0.00 O flip ATOM 1533 NE2 GLN A 105 -0.247 8.787 -7.265 1.00 0.00 N flip ATOM 0 H GLN A 105 -4.553 8.640 -8.071 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.424 6.789 -5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.117 7.073 -5.002 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.079 6.418 -6.627 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.901 8.909 -7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.535 9.297 -5.764 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.534 9.715 -7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.713 8.474 -7.410 1.00 0.00 H new ATOM 1542 N TRP A 106 -5.266 9.999 -6.089 1.00 0.00 N ATOM 1543 CA TRP A 106 -5.583 11.285 -5.404 1.00 0.00 C ATOM 1544 C TRP A 106 -6.737 11.068 -4.418 1.00 0.00 C ATOM 1545 O TRP A 106 -7.388 10.041 -4.518 1.00 0.00 O ATOM 1546 CB TRP A 106 -5.985 12.346 -6.432 1.00 0.00 C ATOM 1547 CG TRP A 106 -6.148 13.664 -5.739 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -7.332 14.213 -5.373 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -5.116 14.603 -5.319 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -7.089 15.428 -4.758 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -5.740 15.712 -4.697 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -3.712 14.599 -5.410 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -4.999 16.780 -4.195 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -2.963 15.673 -4.902 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -3.605 16.761 -4.295 1.00 0.00 C ATOM 1556 OXT TRP A 106 -6.950 11.933 -3.588 1.00 0.00 O ATOM 0 H TRP A 106 -5.147 10.070 -7.100 1.00 0.00 H new ATOM 0 HA TRP A 106 -4.699 11.628 -4.867 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.226 12.422 -7.210 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -6.916 12.061 -6.922 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -8.305 13.774 -5.535 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -7.819 16.040 -4.394 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -3.207 13.765 -5.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -5.499 17.618 -3.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -1.886 15.660 -4.980 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -3.024 17.583 -3.905 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -1.672 10.135 3.943 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -1.637 7.424 3.844 1.00 0.00 FE HETATM 1570 S1 FES A 107 -3.181 8.726 4.716 1.00 0.00 S HETATM 1571 S2 FES A 107 -0.182 8.831 2.974 1.00 0.00 S