USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 14 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.0626 X(o=0.063,f=-0.3) USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.0719 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 6 THR OG1 : rot 53:sc= 1.16 USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.0647 USER MOD Single : A 10 SER OG : rot -120:sc= -0.511 USER MOD Single : A 11 SER OG : rot 180:sc= -0.153 USER MOD Single : A 17 THR OG1 : rot 95:sc= 1.24 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.71) USER MOD Single : A 30 THR OG1 : rot -62:sc= 1.18 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.447! USER MOD Single : A 36 GLN : amide:sc= -1.67! C(o=-1.7!,f=-6.5!) USER MOD Single : A 42 THR OG1 : rot -71:sc= 0.13 USER MOD Single : A 48 ASN : amide:sc= -2.79! X(o=-2.8!,f=-2.4) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -70:sc= 1.21 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.133 X(o=0.13,f=0) USER MOD Single : A 62 SER OG : rot 64:sc= 0.533 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -95:sc= 1.27 USER MOD Single : A 81 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0639 X(o=-0.064,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.122 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.746 5.641 15.921 1.00 0.00 N ATOM 2 CA ALA A 1 -16.344 4.316 15.642 1.00 0.00 C ATOM 3 C ALA A 1 -15.267 3.329 15.225 1.00 0.00 C ATOM 4 O ALA A 1 -14.209 3.724 14.735 1.00 0.00 O ATOM 5 CB ALA A 1 -17.410 4.422 14.563 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.803 5.840 16.940 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.749 5.642 15.624 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.264 6.373 15.395 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.817 3.954 16.555 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.836 3.437 14.374 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.197 5.100 14.894 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.963 4.806 13.646 1.00 0.00 H new ATOM 11 N ALA A 2 -15.533 2.045 15.427 1.00 0.00 N ATOM 12 CA ALA A 2 -14.579 1.003 15.080 1.00 0.00 C ATOM 13 C ALA A 2 -14.797 0.514 13.655 1.00 0.00 C ATOM 14 O ALA A 2 -15.808 -0.119 13.362 1.00 0.00 O ATOM 15 CB ALA A 2 -14.689 -0.159 16.058 1.00 0.00 C ATOM 0 H ALA A 2 -16.404 1.701 15.831 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.577 1.426 15.144 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.970 -0.932 15.787 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.479 0.194 17.068 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.697 -0.572 16.020 1.00 0.00 H new ATOM 21 N PRO A 3 -13.858 0.810 12.743 1.00 0.00 N ATOM 22 CA PRO A 3 -13.958 0.377 11.350 1.00 0.00 C ATOM 23 C PRO A 3 -13.630 -1.105 11.193 1.00 0.00 C ATOM 24 O PRO A 3 -13.344 -1.799 12.176 1.00 0.00 O ATOM 25 CB PRO A 3 -12.925 1.242 10.633 1.00 0.00 C ATOM 26 CG PRO A 3 -11.904 1.547 11.672 1.00 0.00 C ATOM 27 CD PRO A 3 -12.635 1.598 12.989 1.00 0.00 C ATOM 0 HA PRO A 3 -14.966 0.491 10.951 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.484 0.714 9.787 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.375 2.154 10.240 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.127 0.782 11.689 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.411 2.497 11.465 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.038 1.170 13.795 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.870 2.623 13.277 1.00 0.00 H new ATOM 35 N THR A 4 -13.658 -1.586 9.960 1.00 0.00 N ATOM 36 CA THR A 4 -13.387 -2.982 9.686 1.00 0.00 C ATOM 37 C THR A 4 -12.448 -3.146 8.490 1.00 0.00 C ATOM 38 O THR A 4 -12.891 -3.251 7.347 1.00 0.00 O ATOM 39 CB THR A 4 -14.702 -3.737 9.420 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.692 -2.825 8.912 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.215 -4.391 10.695 1.00 0.00 C ATOM 0 H THR A 4 -13.867 -1.026 9.133 1.00 0.00 H new ATOM 0 HA THR A 4 -12.897 -3.402 10.564 1.00 0.00 H new ATOM 0 HB THR A 4 -14.510 -4.516 8.682 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.527 -3.310 8.742 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.145 -4.919 10.484 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.472 -5.098 11.066 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.395 -3.625 11.449 1.00 0.00 H new ATOM 49 N ALA A 5 -11.151 -3.134 8.754 1.00 0.00 N ATOM 50 CA ALA A 5 -10.165 -3.297 7.697 1.00 0.00 C ATOM 51 C ALA A 5 -9.810 -4.769 7.528 1.00 0.00 C ATOM 52 O ALA A 5 -9.141 -5.356 8.379 1.00 0.00 O ATOM 53 CB ALA A 5 -8.918 -2.477 7.992 1.00 0.00 C ATOM 0 H ALA A 5 -10.757 -3.014 9.687 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.597 -2.934 6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.194 -2.614 7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.185 -1.423 8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.481 -2.806 8.935 1.00 0.00 H new ATOM 59 N THR A 6 -10.268 -5.358 6.434 1.00 0.00 N ATOM 60 CA THR A 6 -10.001 -6.759 6.154 1.00 0.00 C ATOM 61 C THR A 6 -9.047 -6.910 4.972 1.00 0.00 C ATOM 62 O THR A 6 -9.433 -6.737 3.817 1.00 0.00 O ATOM 63 CB THR A 6 -11.310 -7.519 5.868 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.347 -6.595 5.495 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.752 -8.311 7.087 1.00 0.00 C ATOM 0 H THR A 6 -10.828 -4.885 5.724 1.00 0.00 H new ATOM 0 HA THR A 6 -9.530 -7.187 7.039 1.00 0.00 H new ATOM 0 HB THR A 6 -11.127 -8.212 5.047 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.034 -6.033 4.755 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.678 -8.839 6.861 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.979 -9.032 7.353 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.917 -7.631 7.923 1.00 0.00 H new ATOM 73 N VAL A 7 -7.796 -7.220 5.263 1.00 0.00 N ATOM 74 CA VAL A 7 -6.796 -7.387 4.220 1.00 0.00 C ATOM 75 C VAL A 7 -6.189 -8.784 4.275 1.00 0.00 C ATOM 76 O VAL A 7 -6.207 -9.441 5.319 1.00 0.00 O ATOM 77 CB VAL A 7 -5.673 -6.331 4.324 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.245 -4.924 4.211 1.00 0.00 C ATOM 79 CG2 VAL A 7 -4.894 -6.490 5.625 1.00 0.00 C ATOM 0 H VAL A 7 -7.447 -7.361 6.211 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.305 -7.249 3.266 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.984 -6.490 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.437 -4.196 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.746 -4.811 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.961 -4.757 5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.109 -5.735 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.570 -6.366 6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.445 -7.483 5.661 1.00 0.00 H new ATOM 89 N THR A 8 -5.667 -9.236 3.148 1.00 0.00 N ATOM 90 CA THR A 8 -5.055 -10.548 3.063 1.00 0.00 C ATOM 91 C THR A 8 -3.547 -10.434 2.843 1.00 0.00 C ATOM 92 O THR A 8 -3.098 -10.114 1.741 1.00 0.00 O ATOM 93 CB THR A 8 -5.675 -11.376 1.919 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.105 -11.357 2.025 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.190 -12.817 1.956 1.00 0.00 C ATOM 0 H THR A 8 -5.656 -8.709 2.275 1.00 0.00 H new ATOM 0 HA THR A 8 -5.241 -11.055 4.010 1.00 0.00 H new ATOM 0 HB THR A 8 -5.364 -10.929 0.975 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.480 -12.110 1.522 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.645 -13.375 1.137 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.105 -12.839 1.852 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.472 -13.272 2.906 1.00 0.00 H new ATOM 103 N PRO A 9 -2.751 -10.671 3.900 1.00 0.00 N ATOM 104 CA PRO A 9 -1.293 -10.610 3.813 1.00 0.00 C ATOM 105 C PRO A 9 -0.705 -11.825 3.096 1.00 0.00 C ATOM 106 O PRO A 9 -0.985 -12.972 3.454 1.00 0.00 O ATOM 107 CB PRO A 9 -0.848 -10.580 5.275 1.00 0.00 C ATOM 108 CG PRO A 9 -1.940 -11.264 6.025 1.00 0.00 C ATOM 109 CD PRO A 9 -3.212 -10.998 5.264 1.00 0.00 C ATOM 0 HA PRO A 9 -0.954 -9.749 3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.104 -11.094 5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.710 -9.557 5.625 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.749 -12.335 6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.010 -10.882 7.043 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.868 -11.869 5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.775 -10.174 5.703 1.00 0.00 H new ATOM 117 N SER A 10 0.109 -11.564 2.085 1.00 0.00 N ATOM 118 CA SER A 10 0.743 -12.619 1.301 1.00 0.00 C ATOM 119 C SER A 10 1.993 -13.158 2.006 1.00 0.00 C ATOM 120 O SER A 10 3.060 -13.285 1.400 1.00 0.00 O ATOM 121 CB SER A 10 1.108 -12.067 -0.080 1.00 0.00 C ATOM 122 OG SER A 10 0.203 -11.047 -0.460 1.00 0.00 O ATOM 0 H SER A 10 0.350 -10.620 1.784 1.00 0.00 H new ATOM 0 HA SER A 10 0.042 -13.447 1.193 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.124 -11.673 -0.064 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.090 -12.871 -0.816 1.00 0.00 H new ATOM 0 HG SER A 10 -0.249 -11.304 -1.290 1.00 0.00 H new ATOM 128 N SER A 11 1.848 -13.482 3.284 1.00 0.00 N ATOM 129 CA SER A 11 2.948 -14.001 4.083 1.00 0.00 C ATOM 130 C SER A 11 3.253 -15.452 3.718 1.00 0.00 C ATOM 131 O SER A 11 2.406 -16.332 3.868 1.00 0.00 O ATOM 132 CB SER A 11 2.592 -13.890 5.566 1.00 0.00 C ATOM 133 OG SER A 11 1.922 -12.667 5.826 1.00 0.00 O ATOM 0 H SER A 11 0.969 -13.393 3.793 1.00 0.00 H new ATOM 0 HA SER A 11 3.841 -13.411 3.877 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.958 -14.728 5.858 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.498 -13.950 6.169 1.00 0.00 H new ATOM 0 HG SER A 11 1.700 -12.612 6.779 1.00 0.00 H new ATOM 139 N GLY A 12 4.457 -15.686 3.217 1.00 0.00 N ATOM 140 CA GLY A 12 4.858 -17.026 2.848 1.00 0.00 C ATOM 141 C GLY A 12 4.607 -17.325 1.388 1.00 0.00 C ATOM 142 O GLY A 12 4.704 -18.471 0.955 1.00 0.00 O ATOM 0 H GLY A 12 5.165 -14.969 3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.918 -17.157 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.316 -17.746 3.461 1.00 0.00 H new ATOM 146 N LEU A 13 4.285 -16.299 0.618 1.00 0.00 N ATOM 147 CA LEU A 13 4.016 -16.477 -0.799 1.00 0.00 C ATOM 148 C LEU A 13 5.158 -15.917 -1.639 1.00 0.00 C ATOM 149 O LEU A 13 6.144 -15.417 -1.099 1.00 0.00 O ATOM 150 CB LEU A 13 2.682 -15.827 -1.169 1.00 0.00 C ATOM 151 CG LEU A 13 1.458 -16.487 -0.524 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.182 -15.778 -0.937 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.389 -17.960 -0.892 1.00 0.00 C ATOM 0 H LEU A 13 4.204 -15.338 0.949 1.00 0.00 H new ATOM 0 HA LEU A 13 3.944 -17.544 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.710 -14.777 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.566 -15.854 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 13 1.560 -16.405 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.673 -16.264 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.226 -14.736 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.075 -15.824 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.514 -18.411 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.315 -18.061 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.289 -18.465 -0.541 1.00 0.00 H new ATOM 165 N SER A 14 5.032 -16.029 -2.948 1.00 0.00 N ATOM 166 CA SER A 14 6.060 -15.552 -3.861 1.00 0.00 C ATOM 167 C SER A 14 5.711 -14.164 -4.391 1.00 0.00 C ATOM 168 O SER A 14 4.653 -13.618 -4.071 1.00 0.00 O ATOM 169 CB SER A 14 6.206 -16.539 -5.019 1.00 0.00 C ATOM 170 OG SER A 14 5.874 -17.860 -4.607 1.00 0.00 O ATOM 0 H SER A 14 4.224 -16.448 -3.407 1.00 0.00 H new ATOM 0 HA SER A 14 7.005 -15.480 -3.323 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.559 -16.237 -5.843 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.229 -16.517 -5.393 1.00 0.00 H new ATOM 0 HG SER A 14 5.973 -18.474 -5.365 1.00 0.00 H new ATOM 176 N ASP A 15 6.604 -13.593 -5.192 1.00 0.00 N ATOM 177 CA ASP A 15 6.369 -12.275 -5.771 1.00 0.00 C ATOM 178 C ASP A 15 5.354 -12.384 -6.901 1.00 0.00 C ATOM 179 O ASP A 15 5.223 -13.436 -7.529 1.00 0.00 O ATOM 180 CB ASP A 15 7.674 -11.641 -6.281 1.00 0.00 C ATOM 181 CG ASP A 15 8.211 -12.305 -7.535 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.880 -13.355 -7.415 1.00 0.00 O ATOM 183 OD2 ASP A 15 7.993 -11.766 -8.643 1.00 0.00 O ATOM 0 H ASP A 15 7.493 -14.019 -5.454 1.00 0.00 H new ATOM 0 HA ASP A 15 5.973 -11.626 -4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.502 -10.584 -6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.429 -11.697 -5.496 1.00 0.00 H new ATOM 188 N GLY A 16 4.628 -11.304 -7.143 1.00 0.00 N ATOM 189 CA GLY A 16 3.623 -11.300 -8.188 1.00 0.00 C ATOM 190 C GLY A 16 2.253 -11.682 -7.667 1.00 0.00 C ATOM 191 O GLY A 16 1.258 -11.591 -8.387 1.00 0.00 O ATOM 0 H GLY A 16 4.717 -10.425 -6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.575 -10.309 -8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.917 -11.995 -8.975 1.00 0.00 H new ATOM 195 N THR A 17 2.203 -12.103 -6.413 1.00 0.00 N ATOM 196 CA THR A 17 0.955 -12.505 -5.789 1.00 0.00 C ATOM 197 C THR A 17 0.010 -11.315 -5.639 1.00 0.00 C ATOM 198 O THR A 17 0.437 -10.200 -5.327 1.00 0.00 O ATOM 199 CB THR A 17 1.210 -13.151 -4.414 1.00 0.00 C ATOM 200 OG1 THR A 17 2.154 -14.221 -4.556 1.00 0.00 O ATOM 201 CG2 THR A 17 -0.073 -13.697 -3.813 1.00 0.00 C ATOM 0 H THR A 17 3.019 -12.175 -5.805 1.00 0.00 H new ATOM 0 HA THR A 17 0.485 -13.243 -6.439 1.00 0.00 H new ATOM 0 HB THR A 17 1.604 -12.383 -3.748 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.055 -13.891 -4.355 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.142 -14.146 -2.843 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.790 -12.886 -3.686 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.493 -14.452 -4.477 1.00 0.00 H new ATOM 209 N VAL A 18 -1.265 -11.560 -5.888 1.00 0.00 N ATOM 210 CA VAL A 18 -2.276 -10.527 -5.781 1.00 0.00 C ATOM 211 C VAL A 18 -2.696 -10.331 -4.328 1.00 0.00 C ATOM 212 O VAL A 18 -3.251 -11.235 -3.703 1.00 0.00 O ATOM 213 CB VAL A 18 -3.516 -10.875 -6.627 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.552 -9.770 -6.549 1.00 0.00 C ATOM 215 CG2 VAL A 18 -3.126 -11.124 -8.072 1.00 0.00 C ATOM 0 H VAL A 18 -1.624 -12.473 -6.167 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.839 -9.602 -6.158 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.953 -11.787 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.417 -10.039 -7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.862 -9.634 -5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.122 -8.841 -6.924 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.016 -11.368 -8.652 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.660 -10.228 -8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.422 -11.955 -8.121 1.00 0.00 H new ATOM 225 N VAL A 19 -2.406 -9.157 -3.794 1.00 0.00 N ATOM 226 CA VAL A 19 -2.761 -8.827 -2.422 1.00 0.00 C ATOM 227 C VAL A 19 -4.177 -8.261 -2.374 1.00 0.00 C ATOM 228 O VAL A 19 -4.512 -7.351 -3.134 1.00 0.00 O ATOM 229 CB VAL A 19 -1.781 -7.796 -1.816 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.966 -7.690 -0.310 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.341 -8.153 -2.156 1.00 0.00 C ATOM 0 H VAL A 19 -1.922 -8.411 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.704 -9.744 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.004 -6.823 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.265 -6.958 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.986 -7.374 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.780 -8.661 0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.330 -7.414 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.106 -9.139 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.214 -8.163 -3.239 1.00 0.00 H new ATOM 241 N LYS A 20 -5.006 -8.801 -1.491 1.00 0.00 N ATOM 242 CA LYS A 20 -6.382 -8.341 -1.365 1.00 0.00 C ATOM 243 C LYS A 20 -6.517 -7.316 -0.248 1.00 0.00 C ATOM 244 O LYS A 20 -6.122 -7.566 0.893 1.00 0.00 O ATOM 245 CB LYS A 20 -7.330 -9.517 -1.104 1.00 0.00 C ATOM 246 CG LYS A 20 -8.751 -9.080 -0.772 1.00 0.00 C ATOM 247 CD LYS A 20 -9.583 -10.220 -0.209 1.00 0.00 C ATOM 248 CE LYS A 20 -10.103 -11.134 -1.307 1.00 0.00 C ATOM 249 NZ LYS A 20 -11.081 -12.124 -0.786 1.00 0.00 N ATOM 0 H LYS A 20 -4.751 -9.555 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.656 -7.869 -2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.351 -10.161 -1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.939 -10.115 -0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.719 -8.264 -0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.230 -8.692 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.980 -10.799 0.491 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.423 -9.814 0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.573 -10.534 -2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.267 -11.658 -1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.412 -12.728 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.625 -12.713 -0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.891 -11.624 -0.367 1.00 0.00 H new ATOM 263 N VAL A 21 -7.066 -6.162 -0.590 1.00 0.00 N ATOM 264 CA VAL A 21 -7.278 -5.099 0.376 1.00 0.00 C ATOM 265 C VAL A 21 -8.741 -4.678 0.357 1.00 0.00 C ATOM 266 O VAL A 21 -9.179 -3.989 -0.562 1.00 0.00 O ATOM 267 CB VAL A 21 -6.379 -3.872 0.086 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.686 -2.731 1.051 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.908 -4.260 0.158 1.00 0.00 C ATOM 0 H VAL A 21 -7.374 -5.938 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.011 -5.482 1.361 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.593 -3.523 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.041 -1.881 0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.729 -2.434 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.507 -3.062 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.291 -3.386 -0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.680 -4.638 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.699 -5.034 -0.581 1.00 0.00 H new ATOM 279 N ALA A 22 -9.498 -5.118 1.353 1.00 0.00 N ATOM 280 CA ALA A 22 -10.911 -4.785 1.439 1.00 0.00 C ATOM 281 C ALA A 22 -11.222 -4.051 2.738 1.00 0.00 C ATOM 282 O ALA A 22 -11.399 -4.663 3.791 1.00 0.00 O ATOM 283 CB ALA A 22 -11.766 -6.040 1.318 1.00 0.00 C ATOM 0 H ALA A 22 -9.156 -5.707 2.112 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.151 -4.121 0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.820 -5.770 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.574 -6.520 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.516 -6.730 2.124 1.00 0.00 H new ATOM 289 N GLY A 23 -11.279 -2.733 2.659 1.00 0.00 N ATOM 290 CA GLY A 23 -11.567 -1.934 3.831 1.00 0.00 C ATOM 291 C GLY A 23 -13.029 -1.545 3.915 1.00 0.00 C ATOM 292 O GLY A 23 -13.605 -1.077 2.935 1.00 0.00 O ATOM 0 H GLY A 23 -11.131 -2.200 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.289 -2.492 4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.954 -1.033 3.814 1.00 0.00 H new ATOM 296 N ALA A 24 -13.628 -1.762 5.076 1.00 0.00 N ATOM 297 CA ALA A 24 -15.022 -1.424 5.300 1.00 0.00 C ATOM 298 C ALA A 24 -15.139 -0.463 6.475 1.00 0.00 C ATOM 299 O ALA A 24 -14.397 -0.576 7.455 1.00 0.00 O ATOM 300 CB ALA A 24 -15.841 -2.684 5.548 1.00 0.00 C ATOM 0 H ALA A 24 -13.163 -2.175 5.884 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.416 -0.935 4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.884 -2.413 5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.770 -3.340 4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.456 -3.201 6.427 1.00 0.00 H new ATOM 306 N GLY A 25 -16.061 0.478 6.376 1.00 0.00 N ATOM 307 CA GLY A 25 -16.238 1.457 7.429 1.00 0.00 C ATOM 308 C GLY A 25 -15.328 2.647 7.222 1.00 0.00 C ATOM 309 O GLY A 25 -14.787 3.211 8.173 1.00 0.00 O ATOM 0 H GLY A 25 -16.694 0.583 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.276 1.788 7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.029 0.999 8.395 1.00 0.00 H new ATOM 313 N LEU A 26 -15.152 3.018 5.966 1.00 0.00 N ATOM 314 CA LEU A 26 -14.291 4.131 5.604 1.00 0.00 C ATOM 315 C LEU A 26 -15.125 5.372 5.299 1.00 0.00 C ATOM 316 O LEU A 26 -16.334 5.391 5.543 1.00 0.00 O ATOM 317 CB LEU A 26 -13.442 3.751 4.387 1.00 0.00 C ATOM 318 CG LEU A 26 -12.759 2.383 4.472 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.083 2.045 3.156 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.748 2.353 5.608 1.00 0.00 C ATOM 0 H LEU A 26 -15.599 2.559 5.172 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.633 4.357 6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.077 3.768 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.676 4.514 4.245 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.524 1.633 4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.603 1.070 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.828 2.020 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.333 2.802 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.276 1.372 5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.987 3.115 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.256 2.551 6.552 1.00 0.00 H new ATOM 332 N GLN A 27 -14.482 6.403 4.765 1.00 0.00 N ATOM 333 CA GLN A 27 -15.173 7.638 4.425 1.00 0.00 C ATOM 334 C GLN A 27 -15.666 7.589 2.984 1.00 0.00 C ATOM 335 O GLN A 27 -14.878 7.708 2.040 1.00 0.00 O ATOM 336 CB GLN A 27 -14.250 8.842 4.628 1.00 0.00 C ATOM 337 CG GLN A 27 -14.974 10.177 4.546 1.00 0.00 C ATOM 338 CD GLN A 27 -15.980 10.377 5.666 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.800 9.875 6.774 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.054 11.095 5.379 1.00 0.00 N ATOM 0 H GLN A 27 -13.483 6.407 4.558 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.033 7.745 5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.765 8.759 5.601 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.462 8.817 3.876 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.241 10.984 4.575 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.488 10.247 3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.166 11.495 4.447 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.770 11.249 6.089 1.00 0.00 H new ATOM 349 N ALA A 28 -16.964 7.400 2.822 1.00 0.00 N ATOM 350 CA ALA A 28 -17.573 7.326 1.503 1.00 0.00 C ATOM 351 C ALA A 28 -17.352 8.615 0.719 1.00 0.00 C ATOM 352 O ALA A 28 -17.737 9.700 1.166 1.00 0.00 O ATOM 353 CB ALA A 28 -19.061 7.035 1.632 1.00 0.00 C ATOM 0 H ALA A 28 -17.622 7.294 3.594 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.096 6.514 0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.509 6.981 0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.203 6.084 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.539 7.831 2.203 1.00 0.00 H new ATOM 359 N GLY A 29 -16.723 8.496 -0.442 1.00 0.00 N ATOM 360 CA GLY A 29 -16.474 9.659 -1.270 1.00 0.00 C ATOM 361 C GLY A 29 -15.011 10.060 -1.328 1.00 0.00 C ATOM 362 O GLY A 29 -14.654 11.005 -2.033 1.00 0.00 O ATOM 0 H GLY A 29 -16.381 7.615 -0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.827 9.457 -2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.057 10.497 -0.890 1.00 0.00 H new ATOM 366 N THR A 30 -14.159 9.361 -0.591 1.00 0.00 N ATOM 367 CA THR A 30 -12.735 9.673 -0.595 1.00 0.00 C ATOM 368 C THR A 30 -11.950 8.588 -1.329 1.00 0.00 C ATOM 369 O THR A 30 -12.410 7.449 -1.443 1.00 0.00 O ATOM 370 CB THR A 30 -12.180 9.848 0.834 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.434 8.680 1.620 1.00 0.00 O ATOM 372 CG2 THR A 30 -12.805 11.057 1.513 1.00 0.00 C ATOM 0 H THR A 30 -14.424 8.582 0.012 1.00 0.00 H new ATOM 0 HA THR A 30 -12.614 10.621 -1.119 1.00 0.00 H new ATOM 0 HB THR A 30 -11.104 10.001 0.755 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.401 8.541 1.696 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.398 11.160 2.519 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.580 11.955 0.937 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.885 10.924 1.570 1.00 0.00 H new ATOM 380 N ALA A 31 -10.779 8.945 -1.839 1.00 0.00 N ATOM 381 CA ALA A 31 -9.944 8.002 -2.564 1.00 0.00 C ATOM 382 C ALA A 31 -8.803 7.503 -1.691 1.00 0.00 C ATOM 383 O ALA A 31 -8.086 8.291 -1.070 1.00 0.00 O ATOM 384 CB ALA A 31 -9.404 8.642 -3.834 1.00 0.00 C ATOM 0 H ALA A 31 -10.387 9.883 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.558 7.144 -2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.780 7.924 -4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.235 8.944 -4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.809 9.518 -3.575 1.00 0.00 H new ATOM 390 N TYR A 32 -8.656 6.193 -1.634 1.00 0.00 N ATOM 391 CA TYR A 32 -7.611 5.569 -0.847 1.00 0.00 C ATOM 392 C TYR A 32 -6.543 5.001 -1.771 1.00 0.00 C ATOM 393 O TYR A 32 -6.847 4.267 -2.712 1.00 0.00 O ATOM 394 CB TYR A 32 -8.200 4.466 0.041 1.00 0.00 C ATOM 395 CG TYR A 32 -9.126 4.986 1.123 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.452 5.302 0.844 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.673 5.157 2.424 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.297 5.777 1.832 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.513 5.629 3.420 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.822 5.939 3.117 1.00 0.00 C ATOM 401 OH TYR A 32 -11.665 6.409 4.104 1.00 0.00 O ATOM 0 H TYR A 32 -9.256 5.534 -2.130 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.154 6.318 -0.201 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.747 3.761 -0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.385 3.913 0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.828 5.175 -0.160 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.648 4.918 2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.323 6.020 1.598 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.145 5.753 4.428 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.177 6.465 4.952 1.00 0.00 H new ATOM 411 N ASP A 33 -5.297 5.354 -1.506 1.00 0.00 N ATOM 412 CA ASP A 33 -4.180 4.891 -2.316 1.00 0.00 C ATOM 413 C ASP A 33 -3.529 3.681 -1.669 1.00 0.00 C ATOM 414 O ASP A 33 -3.236 3.695 -0.470 1.00 0.00 O ATOM 415 CB ASP A 33 -3.151 6.010 -2.491 1.00 0.00 C ATOM 416 CG ASP A 33 -2.481 5.968 -3.849 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.143 6.329 -4.848 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.292 5.595 -3.926 1.00 0.00 O ATOM 0 H ASP A 33 -5.031 5.963 -0.732 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.557 4.605 -3.298 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.641 6.975 -2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.393 5.929 -1.712 1.00 0.00 H new ATOM 423 N VAL A 34 -3.321 2.634 -2.453 1.00 0.00 N ATOM 424 CA VAL A 34 -2.713 1.408 -1.950 1.00 0.00 C ATOM 425 C VAL A 34 -1.572 0.959 -2.858 1.00 0.00 C ATOM 426 O VAL A 34 -1.723 0.913 -4.084 1.00 0.00 O ATOM 427 CB VAL A 34 -3.746 0.259 -1.847 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.138 -0.963 -1.171 1.00 0.00 C ATOM 429 CG2 VAL A 34 -4.998 0.713 -1.107 1.00 0.00 C ATOM 0 H VAL A 34 -3.565 2.607 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.330 1.631 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.033 -0.020 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.885 -1.755 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.284 -1.312 -1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.810 -0.697 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.706 -0.113 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.730 1.032 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.455 1.546 -1.642 1.00 0.00 H new ATOM 439 N GLY A 35 -0.425 0.655 -2.259 1.00 0.00 N ATOM 440 CA GLY A 35 0.713 0.186 -3.025 1.00 0.00 C ATOM 441 C GLY A 35 1.651 -0.639 -2.172 1.00 0.00 C ATOM 442 O GLY A 35 1.476 -0.713 -0.957 1.00 0.00 O ATOM 0 H GLY A 35 -0.264 0.726 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.365 -0.411 -3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.251 1.039 -3.439 1.00 0.00 H new ATOM 446 N GLN A 36 2.628 -1.283 -2.795 1.00 0.00 N ATOM 447 CA GLN A 36 3.595 -2.075 -2.049 1.00 0.00 C ATOM 448 C GLN A 36 4.721 -1.161 -1.595 1.00 0.00 C ATOM 449 O GLN A 36 5.338 -0.471 -2.408 1.00 0.00 O ATOM 450 CB GLN A 36 4.140 -3.233 -2.890 1.00 0.00 C ATOM 451 CG GLN A 36 4.686 -2.810 -4.242 1.00 0.00 C ATOM 452 CD GLN A 36 5.649 -3.819 -4.834 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.682 -4.018 -6.043 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.447 -4.454 -3.990 1.00 0.00 N ATOM 0 H GLN A 36 2.771 -1.273 -3.805 1.00 0.00 H new ATOM 0 HA GLN A 36 3.104 -2.517 -1.182 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.930 -3.734 -2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.345 -3.963 -3.043 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.856 -2.660 -4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.192 -1.850 -4.139 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.389 -4.261 -2.990 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.120 -5.137 -4.340 1.00 0.00 H new ATOM 463 N CYS A 37 4.971 -1.130 -0.302 1.00 0.00 N ATOM 464 CA CYS A 37 6.000 -0.263 0.238 1.00 0.00 C ATOM 465 C CYS A 37 6.909 -1.015 1.197 1.00 0.00 C ATOM 466 O CYS A 37 6.623 -2.150 1.575 1.00 0.00 O ATOM 467 CB CYS A 37 5.346 0.919 0.956 1.00 0.00 C ATOM 468 SG CYS A 37 3.592 1.161 0.534 1.00 0.00 S ATOM 0 H CYS A 37 4.479 -1.692 0.392 1.00 0.00 H new ATOM 0 HA CYS A 37 6.612 0.100 -0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.433 0.771 2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.896 1.828 0.714 1.00 0.00 H new ATOM 473 N ALA A 38 8.007 -0.382 1.569 1.00 0.00 N ATOM 474 CA ALA A 38 8.959 -0.964 2.496 1.00 0.00 C ATOM 475 C ALA A 38 9.701 0.148 3.220 1.00 0.00 C ATOM 476 O ALA A 38 9.622 1.315 2.814 1.00 0.00 O ATOM 477 CB ALA A 38 9.928 -1.881 1.765 1.00 0.00 C ATOM 0 H ALA A 38 8.263 0.548 1.237 1.00 0.00 H new ATOM 0 HA ALA A 38 8.425 -1.568 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.634 -2.307 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.373 -2.684 1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.472 -1.310 1.013 1.00 0.00 H new ATOM 483 N TRP A 39 10.401 -0.202 4.290 1.00 0.00 N ATOM 484 CA TRP A 39 11.153 0.772 5.068 1.00 0.00 C ATOM 485 C TRP A 39 12.412 1.184 4.320 1.00 0.00 C ATOM 486 O TRP A 39 13.292 0.359 4.073 1.00 0.00 O ATOM 487 CB TRP A 39 11.527 0.189 6.431 1.00 0.00 C ATOM 488 CG TRP A 39 10.509 0.457 7.492 1.00 0.00 C ATOM 489 CD1 TRP A 39 9.211 0.040 7.508 1.00 0.00 C ATOM 490 CD2 TRP A 39 10.708 1.196 8.700 1.00 0.00 C ATOM 491 NE1 TRP A 39 8.587 0.486 8.647 1.00 0.00 N ATOM 492 CE2 TRP A 39 9.487 1.193 9.397 1.00 0.00 C ATOM 493 CE3 TRP A 39 11.803 1.863 9.257 1.00 0.00 C ATOM 494 CZ2 TRP A 39 9.331 1.828 10.623 1.00 0.00 C ATOM 495 CZ3 TRP A 39 11.647 2.490 10.477 1.00 0.00 C ATOM 496 CH2 TRP A 39 10.418 2.470 11.147 1.00 0.00 C ATOM 0 H TRP A 39 10.464 -1.158 4.640 1.00 0.00 H new ATOM 0 HA TRP A 39 10.526 1.651 5.220 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.663 -0.888 6.332 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.485 0.604 6.744 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.742 -0.554 6.738 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.612 0.318 8.894 1.00 0.00 H new ATOM 0 HE3 TRP A 39 12.752 1.887 8.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.385 1.815 11.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.486 3.004 10.922 1.00 0.00 H new ATOM 0 HH2 TRP A 39 10.327 2.973 12.099 1.00 0.00 H new ATOM 507 N VAL A 40 12.490 2.452 3.940 1.00 0.00 N ATOM 508 CA VAL A 40 13.652 2.953 3.221 1.00 0.00 C ATOM 509 C VAL A 40 14.530 3.811 4.135 1.00 0.00 C ATOM 510 O VAL A 40 15.740 3.932 3.924 1.00 0.00 O ATOM 511 CB VAL A 40 13.235 3.747 1.958 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.646 5.104 2.313 1.00 0.00 C ATOM 513 CG2 VAL A 40 14.417 3.894 1.014 1.00 0.00 C ATOM 0 H VAL A 40 11.766 3.149 4.117 1.00 0.00 H new ATOM 0 HA VAL A 40 14.235 2.092 2.895 1.00 0.00 H new ATOM 0 HB VAL A 40 12.453 3.182 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.366 5.629 1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.763 4.965 2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.386 5.691 2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.110 4.454 0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.222 4.427 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.768 2.907 0.714 1.00 0.00 H new ATOM 523 N ASP A 41 13.919 4.382 5.165 1.00 0.00 N ATOM 524 CA ASP A 41 14.634 5.222 6.118 1.00 0.00 C ATOM 525 C ASP A 41 13.940 5.144 7.470 1.00 0.00 C ATOM 526 O ASP A 41 12.875 4.533 7.581 1.00 0.00 O ATOM 527 CB ASP A 41 14.693 6.677 5.631 1.00 0.00 C ATOM 528 CG ASP A 41 15.827 7.465 6.264 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.978 7.328 5.803 1.00 0.00 O ATOM 530 OD2 ASP A 41 15.571 8.228 7.221 1.00 0.00 O ATOM 0 H ASP A 41 12.924 4.278 5.363 1.00 0.00 H new ATOM 0 HA ASP A 41 15.658 4.861 6.211 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.810 6.688 4.547 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.746 7.169 5.854 1.00 0.00 H new ATOM 535 N THR A 42 14.530 5.762 8.480 1.00 0.00 N ATOM 536 CA THR A 42 13.973 5.756 9.824 1.00 0.00 C ATOM 537 C THR A 42 12.637 6.491 9.874 1.00 0.00 C ATOM 538 O THR A 42 12.592 7.719 9.922 1.00 0.00 O ATOM 539 CB THR A 42 14.951 6.411 10.812 1.00 0.00 C ATOM 540 OG1 THR A 42 16.135 6.813 10.110 1.00 0.00 O ATOM 541 CG2 THR A 42 15.320 5.453 11.934 1.00 0.00 C ATOM 0 H THR A 42 15.404 6.280 8.393 1.00 0.00 H new ATOM 0 HA THR A 42 13.809 4.716 10.107 1.00 0.00 H new ATOM 0 HB THR A 42 14.467 7.281 11.255 1.00 0.00 H new ATOM 0 HG1 THR A 42 16.650 6.019 9.856 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.013 5.943 12.618 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.420 5.163 12.476 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.792 4.565 11.514 1.00 0.00 H new ATOM 549 N GLY A 43 11.553 5.730 9.844 1.00 0.00 N ATOM 550 CA GLY A 43 10.228 6.314 9.889 1.00 0.00 C ATOM 551 C GLY A 43 9.760 6.783 8.529 1.00 0.00 C ATOM 552 O GLY A 43 8.825 7.579 8.423 1.00 0.00 O ATOM 0 H GLY A 43 11.568 4.712 9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.523 5.580 10.280 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.228 7.156 10.581 1.00 0.00 H new ATOM 556 N VAL A 44 10.417 6.296 7.485 1.00 0.00 N ATOM 557 CA VAL A 44 10.061 6.670 6.124 1.00 0.00 C ATOM 558 C VAL A 44 9.865 5.438 5.251 1.00 0.00 C ATOM 559 O VAL A 44 10.779 4.623 5.082 1.00 0.00 O ATOM 560 CB VAL A 44 11.126 7.573 5.463 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.562 8.235 4.212 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.641 8.623 6.435 1.00 0.00 C ATOM 0 H VAL A 44 11.197 5.643 7.555 1.00 0.00 H new ATOM 0 HA VAL A 44 9.128 7.228 6.201 1.00 0.00 H new ATOM 0 HB VAL A 44 11.967 6.942 5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.326 8.867 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.257 7.468 3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.699 8.844 4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.389 9.242 5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.813 9.250 6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.091 8.131 7.297 1.00 0.00 H new ATOM 572 N LEU A 45 8.665 5.300 4.715 1.00 0.00 N ATOM 573 CA LEU A 45 8.337 4.192 3.835 1.00 0.00 C ATOM 574 C LEU A 45 8.047 4.731 2.448 1.00 0.00 C ATOM 575 O LEU A 45 7.667 5.891 2.299 1.00 0.00 O ATOM 576 CB LEU A 45 7.135 3.408 4.366 1.00 0.00 C ATOM 577 CG LEU A 45 7.441 2.475 5.539 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.309 3.204 6.867 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.528 1.261 5.505 1.00 0.00 C ATOM 0 H LEU A 45 7.895 5.949 4.876 1.00 0.00 H new ATOM 0 HA LEU A 45 9.185 3.508 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.366 4.116 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.716 2.818 3.551 1.00 0.00 H new ATOM 0 HG LEU A 45 8.473 2.138 5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.532 2.517 7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.009 4.039 6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.291 3.579 6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.759 0.608 6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.489 1.585 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.679 0.718 4.572 1.00 0.00 H new ATOM 591 N ALA A 46 8.238 3.904 1.440 1.00 0.00 N ATOM 592 CA ALA A 46 8.002 4.320 0.070 1.00 0.00 C ATOM 593 C ALA A 46 7.338 3.203 -0.726 1.00 0.00 C ATOM 594 O ALA A 46 7.792 2.060 -0.688 1.00 0.00 O ATOM 595 CB ALA A 46 9.322 4.731 -0.559 1.00 0.00 C ATOM 0 H ALA A 46 8.556 2.940 1.542 1.00 0.00 H new ATOM 0 HA ALA A 46 7.323 5.173 0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.152 5.045 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.752 5.558 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.010 3.886 -0.546 1.00 0.00 H new ATOM 601 N CYS A 47 6.261 3.539 -1.430 1.00 0.00 N ATOM 602 CA CYS A 47 5.522 2.565 -2.232 1.00 0.00 C ATOM 603 C CYS A 47 5.863 2.721 -3.703 1.00 0.00 C ATOM 604 O CYS A 47 6.451 3.724 -4.102 1.00 0.00 O ATOM 605 CB CYS A 47 4.017 2.738 -2.035 1.00 0.00 C ATOM 606 SG CYS A 47 3.518 3.008 -0.305 1.00 0.00 S ATOM 0 H CYS A 47 5.878 4.484 -1.462 1.00 0.00 H new ATOM 0 HA CYS A 47 5.811 1.567 -1.902 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.678 3.582 -2.635 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.508 1.852 -2.414 1.00 0.00 H new ATOM 611 N ASN A 48 5.491 1.736 -4.510 1.00 0.00 N ATOM 612 CA ASN A 48 5.779 1.782 -5.936 1.00 0.00 C ATOM 613 C ASN A 48 4.631 2.411 -6.721 1.00 0.00 C ATOM 614 O ASN A 48 3.458 2.167 -6.447 1.00 0.00 O ATOM 615 CB ASN A 48 6.101 0.384 -6.485 1.00 0.00 C ATOM 616 CG ASN A 48 4.879 -0.476 -6.779 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.888 -0.466 -6.044 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.949 -1.237 -7.860 1.00 0.00 N ATOM 0 H ASN A 48 4.992 0.901 -4.203 1.00 0.00 H new ATOM 0 HA ASN A 48 6.659 2.412 -6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.682 0.492 -7.401 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.733 -0.138 -5.766 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.167 -1.842 -8.109 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.785 -1.218 -8.444 1.00 0.00 H new ATOM 625 N PRO A 49 4.961 3.264 -7.695 1.00 0.00 N ATOM 626 CA PRO A 49 3.977 3.924 -8.538 1.00 0.00 C ATOM 627 C PRO A 49 3.743 3.172 -9.847 1.00 0.00 C ATOM 628 O PRO A 49 3.073 3.665 -10.754 1.00 0.00 O ATOM 629 CB PRO A 49 4.654 5.258 -8.807 1.00 0.00 C ATOM 630 CG PRO A 49 6.103 4.911 -8.920 1.00 0.00 C ATOM 631 CD PRO A 49 6.329 3.711 -8.024 1.00 0.00 C ATOM 0 HA PRO A 49 2.992 3.994 -8.076 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.281 5.718 -9.722 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.475 5.967 -7.998 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.367 4.680 -9.952 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.728 5.749 -8.611 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.895 2.931 -8.533 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.890 3.979 -7.129 1.00 0.00 H new ATOM 639 N ALA A 50 4.307 1.976 -9.935 1.00 0.00 N ATOM 640 CA ALA A 50 4.185 1.157 -11.134 1.00 0.00 C ATOM 641 C ALA A 50 3.014 0.185 -11.046 1.00 0.00 C ATOM 642 O ALA A 50 2.476 -0.235 -12.072 1.00 0.00 O ATOM 643 CB ALA A 50 5.478 0.397 -11.379 1.00 0.00 C ATOM 0 H ALA A 50 4.855 1.549 -9.188 1.00 0.00 H new ATOM 0 HA ALA A 50 3.991 1.827 -11.971 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.377 -0.212 -12.277 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.297 1.105 -11.510 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.689 -0.247 -10.525 1.00 0.00 H new ATOM 649 N ASP A 51 2.628 -0.196 -9.830 1.00 0.00 N ATOM 650 CA ASP A 51 1.513 -1.128 -9.655 1.00 0.00 C ATOM 651 C ASP A 51 0.521 -0.626 -8.617 1.00 0.00 C ATOM 652 O ASP A 51 -0.392 -1.356 -8.224 1.00 0.00 O ATOM 653 CB ASP A 51 2.013 -2.517 -9.251 1.00 0.00 C ATOM 654 CG ASP A 51 2.646 -3.263 -10.403 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.907 -3.768 -11.276 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.889 -3.346 -10.451 1.00 0.00 O ATOM 0 H ASP A 51 3.062 0.120 -8.963 1.00 0.00 H new ATOM 0 HA ASP A 51 1.005 -1.197 -10.617 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.739 -2.418 -8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.179 -3.100 -8.859 1.00 0.00 H new ATOM 661 N PHE A 52 0.697 0.615 -8.176 1.00 0.00 N ATOM 662 CA PHE A 52 -0.197 1.209 -7.184 1.00 0.00 C ATOM 663 C PHE A 52 -1.623 1.246 -7.722 1.00 0.00 C ATOM 664 O PHE A 52 -1.837 1.335 -8.934 1.00 0.00 O ATOM 665 CB PHE A 52 0.274 2.623 -6.798 1.00 0.00 C ATOM 666 CG PHE A 52 -0.182 3.708 -7.737 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.449 3.907 -8.954 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.248 4.527 -7.398 1.00 0.00 C ATOM 669 CE1 PHE A 52 0.025 4.901 -9.816 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.678 5.521 -8.256 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.040 5.707 -9.466 1.00 0.00 C ATOM 0 H PHE A 52 1.449 1.230 -8.488 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.177 0.592 -6.286 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.087 2.852 -5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.363 2.631 -6.755 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.282 3.278 -9.233 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.749 4.386 -6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.526 5.047 -10.762 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.511 6.151 -7.981 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.374 6.483 -10.139 1.00 0.00 H new ATOM 681 N SER A 53 -2.593 1.149 -6.833 1.00 0.00 N ATOM 682 CA SER A 53 -3.985 1.165 -7.239 1.00 0.00 C ATOM 683 C SER A 53 -4.814 2.040 -6.309 1.00 0.00 C ATOM 684 O SER A 53 -5.020 1.707 -5.144 1.00 0.00 O ATOM 685 CB SER A 53 -4.544 -0.259 -7.266 1.00 0.00 C ATOM 686 OG SER A 53 -3.685 -1.125 -7.991 1.00 0.00 O ATOM 0 H SER A 53 -2.444 1.059 -5.828 1.00 0.00 H new ATOM 0 HA SER A 53 -4.043 1.587 -8.242 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.663 -0.627 -6.247 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.534 -0.257 -7.722 1.00 0.00 H new ATOM 0 HG SER A 53 -4.060 -2.030 -7.995 1.00 0.00 H new ATOM 692 N SER A 54 -5.254 3.177 -6.822 1.00 0.00 N ATOM 693 CA SER A 54 -6.080 4.088 -6.051 1.00 0.00 C ATOM 694 C SER A 54 -7.538 3.640 -6.119 1.00 0.00 C ATOM 695 O SER A 54 -8.115 3.529 -7.203 1.00 0.00 O ATOM 696 CB SER A 54 -5.930 5.512 -6.584 1.00 0.00 C ATOM 697 OG SER A 54 -4.592 5.767 -6.977 1.00 0.00 O ATOM 0 H SER A 54 -5.052 3.491 -7.771 1.00 0.00 H new ATOM 0 HA SER A 54 -5.756 4.076 -5.010 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.597 5.659 -7.434 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.230 6.225 -5.816 1.00 0.00 H new ATOM 0 HG SER A 54 -4.022 5.819 -6.182 1.00 0.00 H new ATOM 703 N VAL A 55 -8.126 3.367 -4.969 1.00 0.00 N ATOM 704 CA VAL A 55 -9.507 2.920 -4.916 1.00 0.00 C ATOM 705 C VAL A 55 -10.397 3.962 -4.249 1.00 0.00 C ATOM 706 O VAL A 55 -10.086 4.466 -3.169 1.00 0.00 O ATOM 707 CB VAL A 55 -9.631 1.558 -4.184 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.994 1.612 -2.799 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.089 1.113 -4.098 1.00 0.00 C ATOM 0 H VAL A 55 -7.670 3.447 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.845 2.786 -5.944 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.087 0.818 -4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.098 0.642 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.937 1.859 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.492 2.374 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.147 0.156 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.665 1.858 -3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.497 1.007 -5.103 1.00 0.00 H new ATOM 719 N THR A 56 -11.490 4.299 -4.910 1.00 0.00 N ATOM 720 CA THR A 56 -12.421 5.274 -4.383 1.00 0.00 C ATOM 721 C THR A 56 -13.492 4.586 -3.536 1.00 0.00 C ATOM 722 O THR A 56 -14.133 3.629 -3.982 1.00 0.00 O ATOM 723 CB THR A 56 -13.084 6.082 -5.519 1.00 0.00 C ATOM 724 OG1 THR A 56 -12.078 6.597 -6.401 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.902 7.235 -4.960 1.00 0.00 C ATOM 0 H THR A 56 -11.753 3.909 -5.815 1.00 0.00 H new ATOM 0 HA THR A 56 -11.860 5.965 -3.754 1.00 0.00 H new ATOM 0 HB THR A 56 -13.750 5.415 -6.067 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.504 7.107 -7.121 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.359 7.789 -5.780 1.00 0.00 H new ATOM 0 HG22 THR A 56 -14.682 6.844 -4.307 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.252 7.900 -4.391 1.00 0.00 H new ATOM 733 N ALA A 57 -13.660 5.056 -2.306 1.00 0.00 N ATOM 734 CA ALA A 57 -14.650 4.491 -1.398 1.00 0.00 C ATOM 735 C ALA A 57 -16.061 4.720 -1.919 1.00 0.00 C ATOM 736 O ALA A 57 -16.445 5.850 -2.235 1.00 0.00 O ATOM 737 CB ALA A 57 -14.494 5.084 -0.009 1.00 0.00 C ATOM 0 H ALA A 57 -13.122 5.829 -1.914 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.482 3.416 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.241 4.652 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.497 4.863 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.632 6.164 -0.057 1.00 0.00 H new ATOM 743 N ASP A 58 -16.820 3.639 -2.009 1.00 0.00 N ATOM 744 CA ASP A 58 -18.194 3.694 -2.493 1.00 0.00 C ATOM 745 C ASP A 58 -19.112 4.284 -1.431 1.00 0.00 C ATOM 746 O ASP A 58 -18.674 4.579 -0.319 1.00 0.00 O ATOM 747 CB ASP A 58 -18.682 2.297 -2.889 1.00 0.00 C ATOM 748 CG ASP A 58 -18.317 1.240 -1.866 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.933 1.216 -0.782 1.00 0.00 O ATOM 750 OD2 ASP A 58 -17.410 0.430 -2.144 1.00 0.00 O ATOM 0 H ASP A 58 -16.505 2.704 -1.751 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.218 4.336 -3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.764 2.317 -3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.253 2.027 -3.854 1.00 0.00 H new ATOM 755 N ALA A 59 -20.392 4.433 -1.772 1.00 0.00 N ATOM 756 CA ALA A 59 -21.383 5.005 -0.857 1.00 0.00 C ATOM 757 C ALA A 59 -21.652 4.099 0.343 1.00 0.00 C ATOM 758 O ALA A 59 -22.314 4.501 1.300 1.00 0.00 O ATOM 759 CB ALA A 59 -22.679 5.294 -1.599 1.00 0.00 C ATOM 0 H ALA A 59 -20.770 4.164 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 59 -20.970 5.938 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.407 5.719 -0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.487 6.003 -2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.073 4.368 -2.017 1.00 0.00 H new ATOM 765 N ASN A 60 -21.146 2.877 0.293 1.00 0.00 N ATOM 766 CA ASN A 60 -21.321 1.943 1.393 1.00 0.00 C ATOM 767 C ASN A 60 -20.191 2.129 2.391 1.00 0.00 C ATOM 768 O ASN A 60 -20.211 1.582 3.495 1.00 0.00 O ATOM 769 CB ASN A 60 -21.344 0.492 0.895 1.00 0.00 C ATOM 770 CG ASN A 60 -22.201 0.301 -0.342 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.419 0.140 -0.253 1.00 0.00 O ATOM 772 ND2 ASN A 60 -21.566 0.301 -1.504 1.00 0.00 N ATOM 0 H ASN A 60 -20.612 2.510 -0.495 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.279 2.147 1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.325 0.173 0.676 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.716 -0.153 1.691 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.087 0.164 -2.370 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.556 0.438 -1.533 1.00 0.00 H new ATOM 779 N GLY A 61 -19.207 2.926 1.994 1.00 0.00 N ATOM 780 CA GLY A 61 -18.070 3.191 2.846 1.00 0.00 C ATOM 781 C GLY A 61 -17.049 2.080 2.785 1.00 0.00 C ATOM 782 O GLY A 61 -16.368 1.798 3.770 1.00 0.00 O ATOM 0 H GLY A 61 -19.179 3.396 1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.603 4.130 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.409 3.317 3.874 1.00 0.00 H new ATOM 786 N SER A 62 -16.941 1.452 1.630 1.00 0.00 N ATOM 787 CA SER A 62 -16.010 0.356 1.451 1.00 0.00 C ATOM 788 C SER A 62 -15.025 0.648 0.321 1.00 0.00 C ATOM 789 O SER A 62 -15.308 1.448 -0.576 1.00 0.00 O ATOM 790 CB SER A 62 -16.783 -0.935 1.161 1.00 0.00 C ATOM 791 OG SER A 62 -18.182 -0.689 1.101 1.00 0.00 O ATOM 0 H SER A 62 -17.488 1.683 0.800 1.00 0.00 H new ATOM 0 HA SER A 62 -15.437 0.236 2.371 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.444 -1.361 0.217 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.573 -1.671 1.937 1.00 0.00 H new ATOM 0 HG SER A 62 -18.378 -0.094 0.347 1.00 0.00 H new ATOM 797 N ALA A 63 -13.865 0.014 0.386 1.00 0.00 N ATOM 798 CA ALA A 63 -12.837 0.173 -0.627 1.00 0.00 C ATOM 799 C ALA A 63 -12.086 -1.136 -0.804 1.00 0.00 C ATOM 800 O ALA A 63 -11.300 -1.530 0.057 1.00 0.00 O ATOM 801 CB ALA A 63 -11.879 1.297 -0.251 1.00 0.00 C ATOM 0 H ALA A 63 -13.611 -0.623 1.141 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.311 0.439 -1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.117 1.399 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.432 2.232 -0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.402 1.065 0.701 1.00 0.00 H new ATOM 807 N SER A 64 -12.359 -1.825 -1.898 1.00 0.00 N ATOM 808 CA SER A 64 -11.711 -3.094 -2.181 1.00 0.00 C ATOM 809 C SER A 64 -10.819 -2.977 -3.410 1.00 0.00 C ATOM 810 O SER A 64 -11.262 -2.538 -4.471 1.00 0.00 O ATOM 811 CB SER A 64 -12.772 -4.170 -2.390 1.00 0.00 C ATOM 812 OG SER A 64 -13.827 -4.013 -1.457 1.00 0.00 O ATOM 0 H SER A 64 -13.028 -1.526 -2.608 1.00 0.00 H new ATOM 0 HA SER A 64 -11.083 -3.371 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.164 -4.110 -3.405 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.324 -5.157 -2.279 1.00 0.00 H new ATOM 0 HG SER A 64 -14.501 -4.709 -1.605 1.00 0.00 H new ATOM 818 N THR A 65 -9.565 -3.355 -3.260 1.00 0.00 N ATOM 819 CA THR A 65 -8.626 -3.286 -4.362 1.00 0.00 C ATOM 820 C THR A 65 -7.621 -4.434 -4.283 1.00 0.00 C ATOM 821 O THR A 65 -7.547 -5.141 -3.275 1.00 0.00 O ATOM 822 CB THR A 65 -7.891 -1.925 -4.391 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.346 -1.684 -5.697 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.776 -1.865 -3.352 1.00 0.00 C ATOM 0 H THR A 65 -9.173 -3.712 -2.388 1.00 0.00 H new ATOM 0 HA THR A 65 -9.193 -3.380 -5.288 1.00 0.00 H new ATOM 0 HB THR A 65 -8.621 -1.152 -4.150 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.885 -0.819 -5.704 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.283 -0.894 -3.403 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.198 -2.006 -2.357 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.049 -2.652 -3.553 1.00 0.00 H new ATOM 832 N SER A 66 -6.873 -4.627 -5.360 1.00 0.00 N ATOM 833 CA SER A 66 -5.879 -5.683 -5.428 1.00 0.00 C ATOM 834 C SER A 66 -4.526 -5.105 -5.826 1.00 0.00 C ATOM 835 O SER A 66 -4.439 -4.298 -6.752 1.00 0.00 O ATOM 836 CB SER A 66 -6.321 -6.743 -6.433 1.00 0.00 C ATOM 837 OG SER A 66 -7.684 -7.092 -6.233 1.00 0.00 O ATOM 0 H SER A 66 -6.939 -4.059 -6.205 1.00 0.00 H new ATOM 0 HA SER A 66 -5.782 -6.146 -4.446 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.182 -6.369 -7.447 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.695 -7.630 -6.332 1.00 0.00 H new ATOM 0 HG SER A 66 -7.947 -7.771 -6.888 1.00 0.00 H new ATOM 843 N LEU A 67 -3.477 -5.517 -5.129 1.00 0.00 N ATOM 844 CA LEU A 67 -2.138 -5.016 -5.406 1.00 0.00 C ATOM 845 C LEU A 67 -1.195 -6.137 -5.825 1.00 0.00 C ATOM 846 O LEU A 67 -1.251 -7.241 -5.292 1.00 0.00 O ATOM 847 CB LEU A 67 -1.577 -4.304 -4.170 1.00 0.00 C ATOM 848 CG LEU A 67 -1.147 -2.854 -4.394 1.00 0.00 C ATOM 849 CD1 LEU A 67 0.070 -2.786 -5.303 1.00 0.00 C ATOM 850 CD2 LEU A 67 -2.295 -2.040 -4.967 1.00 0.00 C ATOM 0 H LEU A 67 -3.526 -6.195 -4.369 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.213 -4.310 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.332 -4.325 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.719 -4.868 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.872 -2.426 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.358 -1.745 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.896 -3.331 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.171 -3.234 -6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.970 -1.011 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.604 -2.468 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.135 -2.056 -4.272 1.00 0.00 H new ATOM 862 N THR A 68 -0.345 -5.849 -6.797 1.00 0.00 N ATOM 863 CA THR A 68 0.629 -6.814 -7.275 1.00 0.00 C ATOM 864 C THR A 68 1.999 -6.489 -6.687 1.00 0.00 C ATOM 865 O THR A 68 2.648 -5.527 -7.101 1.00 0.00 O ATOM 866 CB THR A 68 0.706 -6.806 -8.811 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.615 -6.711 -9.358 1.00 0.00 O ATOM 868 CG2 THR A 68 1.390 -8.064 -9.335 1.00 0.00 C ATOM 0 H THR A 68 -0.311 -4.947 -7.273 1.00 0.00 H new ATOM 0 HA THR A 68 0.317 -7.808 -6.955 1.00 0.00 H new ATOM 0 HB THR A 68 1.297 -5.944 -9.120 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.564 -6.704 -10.337 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.430 -8.030 -10.424 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.403 -8.120 -8.937 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.827 -8.942 -9.020 1.00 0.00 H new ATOM 876 N VAL A 69 2.426 -7.279 -5.713 1.00 0.00 N ATOM 877 CA VAL A 69 3.705 -7.051 -5.062 1.00 0.00 C ATOM 878 C VAL A 69 4.868 -7.626 -5.878 1.00 0.00 C ATOM 879 O VAL A 69 4.918 -8.821 -6.167 1.00 0.00 O ATOM 880 CB VAL A 69 3.716 -7.628 -3.623 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.398 -9.120 -3.615 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.048 -7.355 -2.943 1.00 0.00 C ATOM 0 H VAL A 69 1.906 -8.081 -5.358 1.00 0.00 H new ATOM 0 HA VAL A 69 3.841 -5.971 -5.000 1.00 0.00 H new ATOM 0 HB VAL A 69 2.932 -7.122 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.415 -9.490 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.409 -9.284 -4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.143 -9.654 -4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.033 -7.769 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.851 -7.821 -3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.217 -6.279 -2.892 1.00 0.00 H new ATOM 892 N ARG A 70 5.780 -6.750 -6.278 1.00 0.00 N ATOM 893 CA ARG A 70 6.956 -7.148 -7.043 1.00 0.00 C ATOM 894 C ARG A 70 8.145 -7.356 -6.111 1.00 0.00 C ATOM 895 O ARG A 70 8.069 -7.065 -4.914 1.00 0.00 O ATOM 896 CB ARG A 70 7.310 -6.083 -8.084 1.00 0.00 C ATOM 897 CG ARG A 70 6.113 -5.544 -8.850 1.00 0.00 C ATOM 898 CD ARG A 70 5.598 -6.542 -9.869 1.00 0.00 C ATOM 899 NE ARG A 70 4.498 -5.983 -10.653 1.00 0.00 N ATOM 900 CZ ARG A 70 3.920 -6.606 -11.677 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.355 -7.790 -12.070 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.894 -6.044 -12.297 1.00 0.00 N ATOM 0 H ARG A 70 5.727 -5.750 -6.084 1.00 0.00 H new ATOM 0 HA ARG A 70 6.726 -8.083 -7.555 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.812 -5.254 -7.584 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.022 -6.506 -8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.315 -5.296 -8.150 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.392 -4.620 -9.356 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.409 -6.836 -10.535 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.262 -7.445 -9.359 1.00 0.00 H new ATOM 0 HE ARG A 70 4.152 -5.058 -10.399 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.138 -8.231 -11.588 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.908 -8.263 -12.856 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.548 -5.135 -11.990 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.450 -6.520 -13.082 1.00 0.00 H new ATOM 916 N ARG A 71 9.246 -7.846 -6.666 1.00 0.00 N ATOM 917 CA ARG A 71 10.452 -8.086 -5.887 1.00 0.00 C ATOM 918 C ARG A 71 11.239 -6.787 -5.715 1.00 0.00 C ATOM 919 O ARG A 71 11.725 -6.479 -4.624 1.00 0.00 O ATOM 920 CB ARG A 71 11.320 -9.142 -6.576 1.00 0.00 C ATOM 921 CG ARG A 71 12.410 -9.728 -5.689 1.00 0.00 C ATOM 922 CD ARG A 71 11.846 -10.706 -4.668 1.00 0.00 C ATOM 923 NE ARG A 71 11.212 -11.861 -5.309 1.00 0.00 N ATOM 924 CZ ARG A 71 11.128 -13.072 -4.757 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.637 -13.299 -3.555 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.525 -14.058 -5.407 1.00 0.00 N ATOM 0 H ARG A 71 9.328 -8.085 -7.654 1.00 0.00 H new ATOM 0 HA ARG A 71 10.166 -8.453 -4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.679 -9.951 -6.927 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.783 -8.697 -7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.149 -10.236 -6.309 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.929 -8.922 -5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.647 -11.049 -4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.117 -10.194 -4.039 1.00 0.00 H new ATOM 0 HE ARG A 71 10.809 -11.730 -6.237 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.097 -12.545 -3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.569 -14.228 -3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.125 -13.891 -6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.461 -14.984 -4.984 1.00 0.00 H new ATOM 940 N SER A 72 11.353 -6.030 -6.796 1.00 0.00 N ATOM 941 CA SER A 72 12.072 -4.762 -6.778 1.00 0.00 C ATOM 942 C SER A 72 11.188 -3.667 -7.369 1.00 0.00 C ATOM 943 O SER A 72 10.498 -3.900 -8.364 1.00 0.00 O ATOM 944 CB SER A 72 13.370 -4.888 -7.575 1.00 0.00 C ATOM 945 OG SER A 72 13.953 -6.172 -7.395 1.00 0.00 O ATOM 0 H SER A 72 10.954 -6.273 -7.703 1.00 0.00 H new ATOM 0 HA SER A 72 12.321 -4.500 -5.750 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.169 -4.720 -8.633 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.073 -4.117 -7.258 1.00 0.00 H new ATOM 0 HG SER A 72 14.623 -6.130 -6.681 1.00 0.00 H new ATOM 951 N PHE A 73 11.193 -2.485 -6.762 1.00 0.00 N ATOM 952 CA PHE A 73 10.360 -1.387 -7.245 1.00 0.00 C ATOM 953 C PHE A 73 10.957 -0.027 -6.896 1.00 0.00 C ATOM 954 O PHE A 73 11.965 0.059 -6.197 1.00 0.00 O ATOM 955 CB PHE A 73 8.957 -1.499 -6.646 1.00 0.00 C ATOM 956 CG PHE A 73 8.930 -1.451 -5.141 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.123 -2.602 -4.396 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.705 -0.257 -4.474 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.091 -2.564 -3.018 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.673 -0.213 -3.095 1.00 0.00 C ATOM 961 CZ PHE A 73 8.863 -1.369 -2.366 1.00 0.00 C ATOM 0 H PHE A 73 11.758 -2.263 -5.943 1.00 0.00 H new ATOM 0 HA PHE A 73 10.309 -1.463 -8.331 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.340 -0.690 -7.037 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.504 -2.433 -6.978 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.301 -3.540 -4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.553 0.650 -5.040 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.244 -3.469 -2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.500 0.724 -2.587 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.833 -1.339 -1.287 1.00 0.00 H new ATOM 971 N GLU A 74 10.322 1.032 -7.386 1.00 0.00 N ATOM 972 CA GLU A 74 10.768 2.390 -7.115 1.00 0.00 C ATOM 973 C GLU A 74 9.979 2.956 -5.940 1.00 0.00 C ATOM 974 O GLU A 74 8.751 2.989 -5.972 1.00 0.00 O ATOM 975 CB GLU A 74 10.589 3.288 -8.346 1.00 0.00 C ATOM 976 CG GLU A 74 10.533 2.531 -9.666 1.00 0.00 C ATOM 977 CD GLU A 74 9.114 2.213 -10.094 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.516 1.278 -9.523 1.00 0.00 O ATOM 979 OE2 GLU A 74 8.598 2.895 -11.005 1.00 0.00 O ATOM 0 H GLU A 74 9.492 0.973 -7.976 1.00 0.00 H new ATOM 0 HA GLU A 74 11.830 2.364 -6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.671 3.865 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.412 4.002 -8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.019 3.123 -10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.097 1.603 -9.573 1.00 0.00 H new ATOM 986 N GLY A 75 10.681 3.395 -4.909 1.00 0.00 N ATOM 987 CA GLY A 75 10.015 3.931 -3.742 1.00 0.00 C ATOM 988 C GLY A 75 9.594 5.375 -3.919 1.00 0.00 C ATOM 989 O GLY A 75 10.421 6.239 -4.234 1.00 0.00 O ATOM 0 H GLY A 75 11.700 3.390 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.136 3.325 -3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.680 3.854 -2.882 1.00 0.00 H new ATOM 993 N PHE A 76 8.314 5.642 -3.692 1.00 0.00 N ATOM 994 CA PHE A 76 7.776 6.982 -3.835 1.00 0.00 C ATOM 995 C PHE A 76 7.057 7.397 -2.567 1.00 0.00 C ATOM 996 O PHE A 76 6.537 6.555 -1.835 1.00 0.00 O ATOM 997 CB PHE A 76 6.809 7.048 -5.015 1.00 0.00 C ATOM 998 CG PHE A 76 7.456 7.425 -6.314 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.362 6.576 -6.929 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.151 8.628 -6.921 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.950 6.922 -8.127 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.736 8.981 -8.122 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.635 8.127 -8.725 1.00 0.00 C ATOM 0 H PHE A 76 7.629 4.942 -3.407 1.00 0.00 H new ATOM 0 HA PHE A 76 8.606 7.665 -4.018 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.326 6.078 -5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.025 7.770 -4.789 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.610 5.633 -6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.448 9.300 -6.452 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.655 6.253 -8.597 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.490 9.924 -8.587 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.093 8.400 -9.664 1.00 0.00 H new ATOM 1013 N LEU A 77 7.043 8.691 -2.305 1.00 0.00 N ATOM 1014 CA LEU A 77 6.379 9.221 -1.130 1.00 0.00 C ATOM 1015 C LEU A 77 4.941 9.599 -1.473 1.00 0.00 C ATOM 1016 O LEU A 77 4.488 9.374 -2.599 1.00 0.00 O ATOM 1017 CB LEU A 77 7.153 10.425 -0.583 1.00 0.00 C ATOM 1018 CG LEU A 77 8.637 10.170 -0.296 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.303 11.432 0.231 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.811 9.026 0.693 1.00 0.00 C ATOM 0 H LEU A 77 7.486 9.397 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 77 6.355 8.456 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.073 11.244 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.673 10.758 0.337 1.00 0.00 H new ATOM 0 HG LEU A 77 9.118 9.887 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.356 11.232 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.218 12.226 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.813 11.744 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.873 8.865 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.311 9.275 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.374 8.117 0.279 1.00 0.00 H new ATOM 1032 N PHE A 78 4.225 10.172 -0.515 1.00 0.00 N ATOM 1033 CA PHE A 78 2.834 10.549 -0.731 1.00 0.00 C ATOM 1034 C PHE A 78 2.735 11.841 -1.532 1.00 0.00 C ATOM 1035 O PHE A 78 1.797 12.033 -2.308 1.00 0.00 O ATOM 1036 CB PHE A 78 2.111 10.705 0.609 1.00 0.00 C ATOM 1037 CG PHE A 78 0.616 10.797 0.475 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -0.132 9.675 0.157 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.039 12.005 0.659 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -1.507 9.755 0.029 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.411 12.092 0.531 1.00 0.00 C ATOM 1042 CZ PHE A 78 -2.145 10.966 0.216 1.00 0.00 C ATOM 0 H PHE A 78 4.582 10.386 0.416 1.00 0.00 H new ATOM 0 HA PHE A 78 2.355 9.755 -1.303 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.359 9.858 1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.479 11.600 1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.364 8.727 0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.531 12.889 0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.080 8.873 -0.216 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.909 13.039 0.677 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.218 11.032 0.116 1.00 0.00 H new ATOM 1052 N ASP A 79 3.705 12.721 -1.343 1.00 0.00 N ATOM 1053 CA ASP A 79 3.727 13.998 -2.047 1.00 0.00 C ATOM 1054 C ASP A 79 4.125 13.816 -3.510 1.00 0.00 C ATOM 1055 O ASP A 79 3.756 14.620 -4.370 1.00 0.00 O ATOM 1056 CB ASP A 79 4.690 14.975 -1.365 1.00 0.00 C ATOM 1057 CG ASP A 79 6.144 14.598 -1.559 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.671 13.797 -0.759 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.763 15.093 -2.519 1.00 0.00 O ATOM 0 H ASP A 79 4.490 12.576 -0.708 1.00 0.00 H new ATOM 0 HA ASP A 79 2.718 14.410 -2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.524 15.977 -1.760 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.468 15.012 -0.298 1.00 0.00 H new ATOM 1064 N GLY A 80 4.873 12.759 -3.794 1.00 0.00 N ATOM 1065 CA GLY A 80 5.293 12.499 -5.156 1.00 0.00 C ATOM 1066 C GLY A 80 6.793 12.341 -5.275 1.00 0.00 C ATOM 1067 O GLY A 80 7.284 11.720 -6.218 1.00 0.00 O ATOM 0 H GLY A 80 5.196 12.078 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.805 11.594 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.964 13.317 -5.797 1.00 0.00 H new ATOM 1071 N THR A 81 7.526 12.913 -4.326 1.00 0.00 N ATOM 1072 CA THR A 81 8.979 12.825 -4.326 1.00 0.00 C ATOM 1073 C THR A 81 9.434 11.368 -4.226 1.00 0.00 C ATOM 1074 O THR A 81 8.895 10.589 -3.435 1.00 0.00 O ATOM 1075 CB THR A 81 9.577 13.648 -3.161 1.00 0.00 C ATOM 1076 OG1 THR A 81 9.175 15.018 -3.288 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.098 13.565 -3.130 1.00 0.00 C ATOM 0 H THR A 81 7.136 13.443 -3.547 1.00 0.00 H new ATOM 0 HA THR A 81 9.340 13.239 -5.267 1.00 0.00 H new ATOM 0 HB THR A 81 9.201 13.229 -2.228 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.257 15.121 -2.960 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.478 14.157 -2.297 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.403 12.526 -3.006 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.503 13.953 -4.065 1.00 0.00 H new ATOM 1085 N ARG A 82 10.408 11.000 -5.050 1.00 0.00 N ATOM 1086 CA ARG A 82 10.929 9.642 -5.051 1.00 0.00 C ATOM 1087 C ARG A 82 12.159 9.548 -4.154 1.00 0.00 C ATOM 1088 O ARG A 82 12.967 10.479 -4.089 1.00 0.00 O ATOM 1089 CB ARG A 82 11.275 9.198 -6.482 1.00 0.00 C ATOM 1090 CG ARG A 82 12.523 9.857 -7.053 1.00 0.00 C ATOM 1091 CD ARG A 82 12.633 9.651 -8.558 1.00 0.00 C ATOM 1092 NE ARG A 82 12.566 8.238 -8.930 1.00 0.00 N ATOM 1093 CZ ARG A 82 11.862 7.765 -9.962 1.00 0.00 C ATOM 1094 NH1 ARG A 82 11.175 8.595 -10.733 1.00 0.00 N ATOM 1095 NH2 ARG A 82 11.849 6.464 -10.222 1.00 0.00 N ATOM 0 H ARG A 82 10.851 11.624 -5.725 1.00 0.00 H new ATOM 0 HA ARG A 82 10.160 8.976 -4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.411 8.117 -6.492 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.430 9.419 -7.134 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.504 10.924 -6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.407 9.447 -6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.830 10.194 -9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.573 10.074 -8.913 1.00 0.00 H new ATOM 0 HE ARG A 82 13.091 7.571 -8.365 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.183 9.596 -10.539 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.638 8.233 -11.521 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.378 5.821 -9.633 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.310 6.107 -11.011 1.00 0.00 H new ATOM 1109 N TRP A 83 12.298 8.435 -3.459 1.00 0.00 N ATOM 1110 CA TRP A 83 13.436 8.246 -2.573 1.00 0.00 C ATOM 1111 C TRP A 83 14.525 7.457 -3.286 1.00 0.00 C ATOM 1112 O TRP A 83 15.690 7.851 -3.290 1.00 0.00 O ATOM 1113 CB TRP A 83 13.016 7.530 -1.288 1.00 0.00 C ATOM 1114 CG TRP A 83 13.976 7.738 -0.151 1.00 0.00 C ATOM 1115 CD1 TRP A 83 15.190 7.135 0.024 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.804 8.617 0.968 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.775 7.578 1.184 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.946 8.488 1.780 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.793 9.500 1.363 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 15.105 9.209 2.958 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.953 10.213 2.535 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.101 10.063 3.321 1.00 0.00 C ATOM 0 H TRP A 83 11.644 7.653 -3.488 1.00 0.00 H new ATOM 0 HA TRP A 83 13.827 9.226 -2.301 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.029 7.883 -0.990 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.926 6.462 -1.488 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.626 6.414 -0.652 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.681 7.277 1.543 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.904 9.622 0.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.991 9.098 3.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.179 10.898 2.850 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.196 10.634 4.233 1.00 0.00 H new ATOM 1133 N GLY A 84 14.132 6.351 -3.902 1.00 0.00 N ATOM 1134 CA GLY A 84 15.080 5.518 -4.611 1.00 0.00 C ATOM 1135 C GLY A 84 14.519 4.140 -4.862 1.00 0.00 C ATOM 1136 O GLY A 84 13.370 3.863 -4.510 1.00 0.00 O ATOM 0 H GLY A 84 13.169 6.015 -3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.339 5.986 -5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.001 5.438 -4.033 1.00 0.00 H new ATOM 1140 N THR A 85 15.316 3.276 -5.465 1.00 0.00 N ATOM 1141 CA THR A 85 14.885 1.921 -5.750 1.00 0.00 C ATOM 1142 C THR A 85 14.868 1.082 -4.475 1.00 0.00 C ATOM 1143 O THR A 85 15.871 0.987 -3.766 1.00 0.00 O ATOM 1144 CB THR A 85 15.802 1.250 -6.793 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.054 2.155 -7.876 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.164 -0.022 -7.334 1.00 0.00 C ATOM 0 H THR A 85 16.267 3.490 -5.767 1.00 0.00 H new ATOM 0 HA THR A 85 13.876 1.979 -6.158 1.00 0.00 H new ATOM 0 HB THR A 85 16.742 0.991 -6.306 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.638 1.723 -8.534 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.828 -0.478 -8.068 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.994 -0.721 -6.515 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.213 0.221 -7.807 1.00 0.00 H new ATOM 1154 N VAL A 86 13.724 0.492 -4.180 1.00 0.00 N ATOM 1155 CA VAL A 86 13.577 -0.341 -3.001 1.00 0.00 C ATOM 1156 C VAL A 86 13.456 -1.797 -3.419 1.00 0.00 C ATOM 1157 O VAL A 86 12.590 -2.154 -4.219 1.00 0.00 O ATOM 1158 CB VAL A 86 12.345 0.055 -2.160 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.323 -0.707 -0.845 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.324 1.553 -1.903 1.00 0.00 C ATOM 0 H VAL A 86 12.879 0.575 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 86 14.462 -0.196 -2.382 1.00 0.00 H new ATOM 0 HB VAL A 86 11.452 -0.209 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.446 -0.412 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.282 -1.778 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.225 -0.478 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.447 1.808 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.225 1.842 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.285 2.085 -2.854 1.00 0.00 H new ATOM 1170 N ASP A 87 14.343 -2.627 -2.901 1.00 0.00 N ATOM 1171 CA ASP A 87 14.339 -4.044 -3.228 1.00 0.00 C ATOM 1172 C ASP A 87 13.907 -4.880 -2.028 1.00 0.00 C ATOM 1173 O ASP A 87 14.368 -4.658 -0.907 1.00 0.00 O ATOM 1174 CB ASP A 87 15.730 -4.473 -3.694 1.00 0.00 C ATOM 1175 CG ASP A 87 15.790 -5.937 -4.056 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.385 -6.292 -5.178 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.245 -6.742 -3.221 1.00 0.00 O ATOM 0 H ASP A 87 15.077 -2.345 -2.251 1.00 0.00 H new ATOM 0 HA ASP A 87 13.622 -4.210 -4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.021 -3.876 -4.558 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.454 -4.267 -2.906 1.00 0.00 H new ATOM 1182 N CYS A 88 13.033 -5.850 -2.262 1.00 0.00 N ATOM 1183 CA CYS A 88 12.541 -6.708 -1.190 1.00 0.00 C ATOM 1184 C CYS A 88 12.933 -8.169 -1.414 1.00 0.00 C ATOM 1185 O CYS A 88 12.125 -9.078 -1.218 1.00 0.00 O ATOM 1186 CB CYS A 88 11.018 -6.578 -1.059 1.00 0.00 C ATOM 1187 SG CYS A 88 10.482 -5.309 0.138 1.00 0.00 S ATOM 0 H CYS A 88 12.650 -6.063 -3.183 1.00 0.00 H new ATOM 0 HA CYS A 88 13.007 -6.378 -0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.598 -6.341 -2.037 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.606 -7.542 -0.760 1.00 0.00 H new ATOM 1192 N THR A 89 14.177 -8.395 -1.819 1.00 0.00 N ATOM 1193 CA THR A 89 14.664 -9.751 -2.040 1.00 0.00 C ATOM 1194 C THR A 89 15.264 -10.319 -0.753 1.00 0.00 C ATOM 1195 O THR A 89 15.040 -11.479 -0.407 1.00 0.00 O ATOM 1196 CB THR A 89 15.710 -9.802 -3.175 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.264 -9.000 -4.276 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.934 -11.228 -3.650 1.00 0.00 C ATOM 0 H THR A 89 14.863 -7.662 -2.000 1.00 0.00 H new ATOM 0 HA THR A 89 13.811 -10.361 -2.339 1.00 0.00 H new ATOM 0 HB THR A 89 16.652 -9.415 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.929 -9.032 -4.995 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.675 -11.233 -4.449 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.292 -11.836 -2.819 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.996 -11.639 -4.023 1.00 0.00 H new ATOM 1206 N THR A 90 16.014 -9.487 -0.038 1.00 0.00 N ATOM 1207 CA THR A 90 16.632 -9.903 1.214 1.00 0.00 C ATOM 1208 C THR A 90 15.839 -9.353 2.401 1.00 0.00 C ATOM 1209 O THR A 90 16.006 -9.793 3.542 1.00 0.00 O ATOM 1210 CB THR A 90 18.107 -9.441 1.286 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.884 -10.385 2.034 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.238 -8.059 1.917 1.00 0.00 C ATOM 0 H THR A 90 16.208 -8.522 -0.304 1.00 0.00 H new ATOM 0 HA THR A 90 16.620 -10.992 1.257 1.00 0.00 H new ATOM 0 HB THR A 90 18.481 -9.382 0.264 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.816 -10.084 2.072 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.289 -7.772 1.949 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.681 -7.334 1.323 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.837 -8.082 2.930 1.00 0.00 H new ATOM 1220 N ALA A 91 14.967 -8.391 2.121 1.00 0.00 N ATOM 1221 CA ALA A 91 14.143 -7.779 3.152 1.00 0.00 C ATOM 1222 C ALA A 91 12.669 -8.106 2.931 1.00 0.00 C ATOM 1223 O ALA A 91 12.318 -8.822 1.990 1.00 0.00 O ATOM 1224 CB ALA A 91 14.363 -6.274 3.177 1.00 0.00 C ATOM 0 H ALA A 91 14.814 -8.018 1.184 1.00 0.00 H new ATOM 0 HA ALA A 91 14.437 -8.188 4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.741 -5.828 3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.412 -6.063 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.095 -5.851 2.209 1.00 0.00 H new ATOM 1230 N ALA A 92 11.813 -7.574 3.790 1.00 0.00 N ATOM 1231 CA ALA A 92 10.387 -7.817 3.692 1.00 0.00 C ATOM 1232 C ALA A 92 9.640 -6.541 3.315 1.00 0.00 C ATOM 1233 O ALA A 92 10.014 -5.442 3.728 1.00 0.00 O ATOM 1234 CB ALA A 92 9.855 -8.377 5.003 1.00 0.00 C ATOM 0 H ALA A 92 12.085 -6.969 4.565 1.00 0.00 H new ATOM 0 HA ALA A 92 10.220 -8.551 2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.783 -8.554 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.361 -9.316 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.039 -7.663 5.805 1.00 0.00 H new ATOM 1240 N CYS A 93 8.595 -6.698 2.527 1.00 0.00 N ATOM 1241 CA CYS A 93 7.785 -5.570 2.091 1.00 0.00 C ATOM 1242 C CYS A 93 6.483 -5.521 2.885 1.00 0.00 C ATOM 1243 O CYS A 93 6.112 -6.496 3.538 1.00 0.00 O ATOM 1244 CB CYS A 93 7.478 -5.685 0.596 1.00 0.00 C ATOM 1245 SG CYS A 93 8.627 -4.779 -0.496 1.00 0.00 S ATOM 0 H CYS A 93 8.282 -7.602 2.172 1.00 0.00 H new ATOM 0 HA CYS A 93 8.344 -4.651 2.267 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.490 -6.739 0.317 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.467 -5.320 0.418 1.00 0.00 H new ATOM 1250 N GLN A 94 5.798 -4.391 2.835 1.00 0.00 N ATOM 1251 CA GLN A 94 4.534 -4.230 3.539 1.00 0.00 C ATOM 1252 C GLN A 94 3.500 -3.558 2.644 1.00 0.00 C ATOM 1253 O GLN A 94 3.844 -2.927 1.643 1.00 0.00 O ATOM 1254 CB GLN A 94 4.723 -3.428 4.833 1.00 0.00 C ATOM 1255 CG GLN A 94 5.768 -2.329 4.738 1.00 0.00 C ATOM 1256 CD GLN A 94 6.876 -2.512 5.756 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.900 -3.136 5.477 1.00 0.00 O ATOM 1258 NE2 GLN A 94 6.679 -1.971 6.948 1.00 0.00 N ATOM 0 H GLN A 94 6.096 -3.568 2.312 1.00 0.00 H new ATOM 0 HA GLN A 94 4.170 -5.223 3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.769 -2.983 5.114 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.004 -4.112 5.634 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.195 -2.320 3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.291 -1.361 4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.817 -1.461 7.141 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.389 -2.064 7.674 1.00 0.00 H new ATOM 1267 N VAL A 95 2.233 -3.713 3.001 1.00 0.00 N ATOM 1268 CA VAL A 95 1.142 -3.127 2.237 1.00 0.00 C ATOM 1269 C VAL A 95 0.875 -1.700 2.700 1.00 0.00 C ATOM 1270 O VAL A 95 0.535 -1.470 3.865 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.154 -3.956 2.367 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.210 -3.465 1.388 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.132 -5.435 2.151 1.00 0.00 C ATOM 0 H VAL A 95 1.935 -4.243 3.820 1.00 0.00 H new ATOM 0 HA VAL A 95 1.446 -3.123 1.190 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.541 -3.826 3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.114 -4.064 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.440 -2.420 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.834 -3.559 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.794 -6.002 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.547 -5.583 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.848 -5.780 2.897 1.00 0.00 H new ATOM 1283 N GLY A 96 1.038 -0.751 1.793 1.00 0.00 N ATOM 1284 CA GLY A 96 0.820 0.635 2.128 1.00 0.00 C ATOM 1285 C GLY A 96 -0.559 1.110 1.739 1.00 0.00 C ATOM 1286 O GLY A 96 -0.932 1.061 0.568 1.00 0.00 O ATOM 0 H GLY A 96 1.319 -0.919 0.827 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.960 0.773 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.568 1.249 1.627 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.314 1.563 2.724 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.664 2.048 2.494 1.00 0.00 C ATOM 1292 C LEU A 97 -2.867 3.387 3.188 1.00 0.00 C ATOM 1293 O LEU A 97 -2.584 3.527 4.378 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.701 1.037 3.005 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.139 -0.304 3.493 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -2.712 -0.218 4.950 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.166 -1.410 3.305 1.00 0.00 C ATOM 0 H LEU A 97 -1.013 1.605 3.698 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.801 2.175 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.256 1.496 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.415 0.841 2.205 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.258 -0.540 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.317 -1.182 5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.941 0.544 5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.572 0.045 5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.751 -2.355 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.064 -1.173 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.419 -1.495 2.248 1.00 0.00 H new ATOM 1309 N SER A 98 -3.328 4.373 2.436 1.00 0.00 N ATOM 1310 CA SER A 98 -3.575 5.700 2.978 1.00 0.00 C ATOM 1311 C SER A 98 -4.720 6.378 2.232 1.00 0.00 C ATOM 1312 O SER A 98 -4.985 6.067 1.071 1.00 0.00 O ATOM 1313 CB SER A 98 -2.305 6.558 2.906 1.00 0.00 C ATOM 1314 OG SER A 98 -1.289 6.024 3.744 1.00 0.00 O ATOM 0 H SER A 98 -3.540 4.279 1.443 1.00 0.00 H new ATOM 0 HA SER A 98 -3.860 5.595 4.025 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.948 6.603 1.877 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.533 7.580 3.209 1.00 0.00 H new ATOM 0 HG SER A 98 -0.487 6.584 3.683 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.405 7.285 2.912 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.527 8.012 2.326 1.00 0.00 C ATOM 1322 C ASP A 99 -6.033 9.185 1.474 1.00 0.00 C ATOM 1323 O ASP A 99 -4.939 9.138 0.911 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.475 8.505 3.431 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.890 9.620 4.280 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.656 9.666 4.449 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.664 10.456 4.779 1.00 0.00 O ATOM 0 H ASP A 99 -5.203 7.538 3.879 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.075 7.332 1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.401 8.855 2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.735 7.666 4.077 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.841 10.234 1.379 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.484 11.407 0.590 1.00 0.00 C ATOM 1334 C ALA A 100 -5.570 12.353 1.368 1.00 0.00 C ATOM 1335 O ALA A 100 -5.156 13.396 0.855 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.741 12.132 0.149 1.00 0.00 C ATOM 0 H ALA A 100 -7.749 10.296 1.839 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.934 11.069 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.468 13.008 -0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.353 11.464 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.306 12.447 1.026 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.259 11.994 2.603 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.398 12.821 3.436 1.00 0.00 C ATOM 1344 C ALA A 101 -3.139 12.067 3.851 1.00 0.00 C ATOM 1345 O ALA A 101 -2.035 12.607 3.781 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.154 13.310 4.660 1.00 0.00 C ATOM 0 H ALA A 101 -5.588 11.139 3.051 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.091 13.685 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.496 13.927 5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.014 13.900 4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.495 12.454 5.243 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.309 10.822 4.281 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.174 10.017 4.697 1.00 0.00 C ATOM 1354 C GLY A 102 -2.473 9.161 5.915 1.00 0.00 C ATOM 1355 O GLY A 102 -1.562 8.780 6.648 1.00 0.00 O ATOM 0 H GLY A 102 -4.213 10.355 4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.870 9.373 3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.331 10.672 4.917 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.745 8.852 6.132 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.150 8.041 7.277 1.00 0.00 C ATOM 1361 C ASN A 103 -4.981 6.854 6.824 1.00 0.00 C ATOM 1362 O ASN A 103 -5.151 6.624 5.626 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.956 8.870 8.280 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.111 9.879 9.024 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.520 9.569 10.058 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.062 11.098 8.516 1.00 0.00 N ATOM 0 H ASN A 103 -4.514 9.149 5.532 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.243 7.682 7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.755 9.391 7.753 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.430 8.201 8.998 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.519 11.824 8.984 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.567 11.313 7.656 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.507 6.110 7.787 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.320 4.955 7.470 1.00 0.00 C ATOM 1375 C GLY A 104 -5.883 3.724 8.241 1.00 0.00 C ATOM 1376 O GLY A 104 -5.309 3.846 9.327 1.00 0.00 O ATOM 0 H GLY A 104 -5.384 6.287 8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.364 5.173 7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.261 4.753 6.401 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.140 2.520 7.705 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.754 1.270 8.363 1.00 0.00 C ATOM 1382 C PRO A 105 -4.239 1.142 8.466 1.00 0.00 C ATOM 1383 O PRO A 105 -3.509 1.624 7.598 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.331 0.181 7.450 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.506 0.841 6.126 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.813 2.284 6.417 1.00 0.00 C ATOM 0 HA PRO A 105 -6.125 1.208 9.386 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.657 -0.673 7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.280 -0.193 7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.603 0.749 5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.315 0.376 5.563 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.430 2.942 5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.886 2.461 6.485 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.766 0.516 9.534 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.334 0.339 9.732 1.00 0.00 C ATOM 1396 C GLU A 106 -1.773 -0.623 8.692 1.00 0.00 C ATOM 1397 O GLU A 106 -2.465 -1.547 8.255 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.036 -0.169 11.142 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.698 0.314 11.679 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.205 -0.506 12.848 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.879 -0.528 13.899 1.00 0.00 O ATOM 1402 OE2 GLU A 106 0.869 -1.135 12.732 1.00 0.00 O ATOM 0 H GLU A 106 -4.349 0.124 10.273 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.851 1.309 9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.830 0.157 11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.048 -1.259 11.139 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.042 0.280 10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.790 1.356 11.985 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.528 -0.397 8.298 1.00 0.00 N ATOM 1410 CA GLY A 107 0.102 -1.242 7.305 1.00 0.00 C ATOM 1411 C GLY A 107 0.427 -2.617 7.841 1.00 0.00 C ATOM 1412 O GLY A 107 0.694 -2.784 9.032 1.00 0.00 O ATOM 0 H GLY A 107 0.059 0.359 8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.557 -1.338 6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.018 -0.766 6.955 1.00 0.00 H new ATOM 1416 N VAL A 108 0.390 -3.607 6.966 1.00 0.00 N ATOM 1417 CA VAL A 108 0.688 -4.981 7.338 1.00 0.00 C ATOM 1418 C VAL A 108 1.902 -5.465 6.559 1.00 0.00 C ATOM 1419 O VAL A 108 1.962 -5.312 5.335 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.511 -5.916 7.057 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.185 -7.350 7.448 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.754 -5.434 7.792 1.00 0.00 C ATOM 0 H VAL A 108 0.154 -3.483 5.982 1.00 0.00 H new ATOM 0 HA VAL A 108 0.894 -5.006 8.408 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.712 -5.892 5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.044 -7.988 7.241 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.673 -7.698 6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.050 -7.393 8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.585 -6.106 7.580 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.561 -5.422 8.865 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.007 -4.428 7.458 1.00 0.00 H new ATOM 1432 N ALA A 109 2.871 -6.026 7.263 1.00 0.00 N ATOM 1433 CA ALA A 109 4.083 -6.517 6.630 1.00 0.00 C ATOM 1434 C ALA A 109 3.921 -7.962 6.177 1.00 0.00 C ATOM 1435 O ALA A 109 3.250 -8.762 6.830 1.00 0.00 O ATOM 1436 CB ALA A 109 5.263 -6.382 7.579 1.00 0.00 C ATOM 0 H ALA A 109 2.842 -6.153 8.275 1.00 0.00 H new ATOM 0 HA ALA A 109 4.274 -5.911 5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.165 -6.753 7.093 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.399 -5.333 7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.072 -6.962 8.482 1.00 0.00 H new ATOM 1442 N ILE A 110 4.536 -8.281 5.050 1.00 0.00 N ATOM 1443 CA ILE A 110 4.481 -9.621 4.491 1.00 0.00 C ATOM 1444 C ILE A 110 5.894 -10.132 4.244 1.00 0.00 C ATOM 1445 O ILE A 110 6.860 -9.392 4.413 1.00 0.00 O ATOM 1446 CB ILE A 110 3.679 -9.664 3.169 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.324 -8.754 2.116 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.232 -9.255 3.415 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.725 -8.903 0.736 1.00 0.00 C ATOM 0 H ILE A 110 5.085 -7.621 4.499 1.00 0.00 H new ATOM 0 HA ILE A 110 3.970 -10.259 5.212 1.00 0.00 H new ATOM 0 HB ILE A 110 3.691 -10.686 2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.225 -7.717 2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.391 -8.971 2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.679 -9.290 2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.777 -9.941 4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.203 -8.242 3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.231 -8.229 0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.848 -9.931 0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.664 -8.657 0.771 1.00 0.00 H new ATOM 1461 N SER A 111 6.022 -11.389 3.865 1.00 0.00 N ATOM 1462 CA SER A 111 7.330 -11.970 3.607 1.00 0.00 C ATOM 1463 C SER A 111 7.227 -13.042 2.529 1.00 0.00 C ATOM 1464 O SER A 111 6.208 -13.728 2.436 1.00 0.00 O ATOM 1465 CB SER A 111 7.911 -12.557 4.895 1.00 0.00 C ATOM 1466 OG SER A 111 7.806 -11.626 5.966 1.00 0.00 O ATOM 0 H SER A 111 5.239 -12.028 3.728 1.00 0.00 H new ATOM 0 HA SER A 111 7.999 -11.186 3.252 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.383 -13.475 5.152 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.956 -12.823 4.740 1.00 0.00 H new ATOM 0 HG SER A 111 8.181 -12.021 6.781 1.00 0.00 H new ATOM 1472 N PHE A 112 8.266 -13.176 1.713 1.00 0.00 N ATOM 1473 CA PHE A 112 8.270 -14.166 0.642 1.00 0.00 C ATOM 1474 C PHE A 112 8.944 -15.458 1.095 1.00 0.00 C ATOM 1475 O PHE A 112 9.882 -15.429 1.893 1.00 0.00 O ATOM 1476 CB PHE A 112 8.982 -13.610 -0.592 1.00 0.00 C ATOM 1477 CG PHE A 112 8.375 -12.337 -1.111 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.156 -12.353 -1.769 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.023 -11.125 -0.941 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.597 -11.186 -2.251 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.466 -9.954 -1.421 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.255 -9.984 -2.075 1.00 0.00 C ATOM 0 H PHE A 112 9.115 -12.613 1.772 1.00 0.00 H new ATOM 0 HA PHE A 112 7.235 -14.390 0.385 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.029 -13.431 -0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.963 -14.361 -1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.636 -13.290 -1.907 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.973 -11.094 -0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.647 -11.213 -2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.981 -9.015 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.820 -9.069 -2.450 1.00 0.00 H new ATOM 1492 N ASN A 113 8.470 -16.586 0.576 1.00 0.00 N ATOM 1493 CA ASN A 113 9.032 -17.882 0.937 1.00 0.00 C ATOM 1494 C ASN A 113 10.316 -18.137 0.162 1.00 0.00 C ATOM 1495 O ASN A 113 11.190 -18.865 0.679 1.00 0.00 O ATOM 1496 CB ASN A 113 8.029 -19.019 0.691 1.00 0.00 C ATOM 1497 CG ASN A 113 7.798 -19.311 -0.781 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.578 -20.013 -1.425 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.704 -18.797 -1.318 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.455 -17.597 -0.954 1.00 0.00 O ATOM 0 H ASN A 113 7.701 -16.629 -0.093 1.00 0.00 H new ATOM 0 HA ASN A 113 9.258 -17.860 2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.389 -19.924 1.181 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.078 -18.761 1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.483 -18.978 -2.297 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.081 -18.220 -0.753 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 3.396 6.078 4.262 1.00 20.00 O HETATM 1509 C8A FLN A 114 3.952 7.286 3.867 1.00 20.00 C HETATM 1510 C4A FLN A 114 4.546 7.453 2.604 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.577 6.295 1.667 1.00 20.00 C HETATM 1512 C3 FLN A 114 3.972 5.054 2.150 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.417 4.986 3.395 1.00 20.00 C HETATM 1514 C1' FLN A 114 2.744 3.846 4.119 1.00 20.00 C HETATM 1515 C2' FLN A 114 1.421 3.967 4.561 1.00 20.00 C HETATM 1516 C3' FLN A 114 0.812 2.905 5.234 1.00 20.00 C HETATM 1517 C4' FLN A 114 1.471 1.696 5.496 1.00 20.00 C HETATM 1518 C5' FLN A 114 2.791 1.618 5.034 1.00 20.00 C HETATM 1519 C6' FLN A 114 3.424 2.659 4.360 1.00 20.00 C HETATM 1520 O4 FLN A 114 5.090 6.390 0.545 1.00 20.00 O HETATM 1521 C5 FLN A 114 5.097 8.712 2.263 1.00 20.00 C HETATM 1522 C6 FLN A 114 5.040 9.771 3.185 1.00 20.00 C HETATM 1523 C7 FLN A 114 4.435 9.567 4.443 1.00 20.00 C HETATM 1524 C8 FLN A 114 3.889 8.329 4.786 1.00 20.00 C HETATM 0 H8 FLN A 114 3.420 8.181 5.759 1.00 20.00 H new HETATM 0 H7 FLN A 114 4.393 10.389 5.158 1.00 20.00 H new HETATM 0 H6' FLN A 114 4.453 2.542 4.021 1.00 20.00 H new HETATM 0 H6 FLN A 114 5.461 10.744 2.930 1.00 20.00 H new HETATM 0 H5' FLN A 114 3.349 0.699 5.211 1.00 20.00 H new HETATM 0 H5 FLN A 114 5.564 8.859 1.289 1.00 20.00 H new HETATM 0 H4' FLN A 114 0.989 0.873 6.023 1.00 20.00 H new HETATM 0 H3' FLN A 114 -0.219 3.021 5.569 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.964 4.173 1.508 1.00 20.00 H new HETATM 0 H2' FLN A 114 0.867 4.888 4.380 1.00 20.00 H new