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 36 GLN : amide:sc= 0.227 K(o=-0.54,f=-6!) USER MOD Set 1.2: A 48 ASN : amide:sc= -0.769 K(o=-0.54,f=-7.7!) USER MOD Set 2.1: A 14 SER OG : rot -33:sc= 0.931 USER MOD Set 2.2: A 113 ASN :FLIP amide:sc= 0.713 F(o=1,f=1.6) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 80:sc= 1.27 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -170:sc= -0.878 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.556 K(o=-0.56,f=-1.6) USER MOD Single : A 30 THR OG1 : rot 160:sc= -0.0667 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.833 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 63:sc= 0.104 USER MOD Single : A 56 THR OG1 : rot 9:sc= 1.07 USER MOD Single : A 60 ASN : amide:sc= -0.0403 K(o=-0.04,f=-1.4!) USER MOD Single : A 62 SER OG : rot 49:sc= 0.683 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00581 USER MOD Single : A 66 SER OG : rot 9:sc= 0.507 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -82:sc= 1.04 USER MOD Single : A 81 THR OG1 : rot 109:sc= 1.01 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 110:sc= 1.28 USER MOD Single : A 90 THR OG1 : rot -44:sc= 0.386 USER MOD Single : A 94 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.8) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.193 4.710 16.317 1.00 0.00 N ATOM 2 CA ALA A 1 -16.659 3.637 15.407 1.00 0.00 C ATOM 3 C ALA A 1 -15.489 2.774 14.953 1.00 0.00 C ATOM 4 O ALA A 1 -14.528 3.278 14.370 1.00 0.00 O ATOM 5 CB ALA A 1 -17.367 4.230 14.197 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.004 5.288 16.616 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.743 4.285 17.153 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.504 5.311 15.821 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.365 3.012 15.954 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.702 3.426 13.541 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.228 4.811 14.528 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.679 4.878 13.654 1.00 0.00 H new ATOM 11 N ALA A 2 -15.565 1.481 15.228 1.00 0.00 N ATOM 12 CA ALA A 2 -14.514 0.556 14.832 1.00 0.00 C ATOM 13 C ALA A 2 -14.738 0.073 13.400 1.00 0.00 C ATOM 14 O ALA A 2 -15.730 -0.606 13.112 1.00 0.00 O ATOM 15 CB ALA A 2 -14.452 -0.619 15.795 1.00 0.00 C ATOM 0 H ALA A 2 -16.344 1.048 15.724 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.558 1.079 14.869 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.661 -1.302 15.485 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.243 -0.254 16.801 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.407 -1.144 15.790 1.00 0.00 H new ATOM 21 N PRO A 3 -13.822 0.424 12.482 1.00 0.00 N ATOM 22 CA PRO A 3 -13.923 0.041 11.073 1.00 0.00 C ATOM 23 C PRO A 3 -13.610 -1.437 10.845 1.00 0.00 C ATOM 24 O PRO A 3 -13.090 -2.122 11.729 1.00 0.00 O ATOM 25 CB PRO A 3 -12.881 0.928 10.388 1.00 0.00 C ATOM 26 CG PRO A 3 -11.863 1.194 11.440 1.00 0.00 C ATOM 27 CD PRO A 3 -12.606 1.220 12.750 1.00 0.00 C ATOM 0 HA PRO A 3 -14.933 0.174 10.686 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.439 0.427 9.527 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.326 1.854 10.024 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.096 0.420 11.443 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.357 2.143 11.261 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.013 0.786 13.555 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.853 2.239 13.050 1.00 0.00 H new ATOM 35 N THR A 4 -13.944 -1.924 9.661 1.00 0.00 N ATOM 36 CA THR A 4 -13.702 -3.310 9.304 1.00 0.00 C ATOM 37 C THR A 4 -12.438 -3.427 8.461 1.00 0.00 C ATOM 38 O THR A 4 -12.445 -3.123 7.265 1.00 0.00 O ATOM 39 CB THR A 4 -14.890 -3.894 8.520 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.121 -3.571 9.186 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.764 -5.404 8.385 1.00 0.00 C ATOM 0 H THR A 4 -14.387 -1.373 8.926 1.00 0.00 H new ATOM 0 HA THR A 4 -13.578 -3.874 10.228 1.00 0.00 H new ATOM 0 HB THR A 4 -14.888 -3.456 7.522 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.874 -3.944 8.681 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.616 -5.792 7.827 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.843 -5.646 7.855 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.743 -5.857 9.376 1.00 0.00 H new ATOM 49 N ALA A 5 -11.353 -3.848 9.091 1.00 0.00 N ATOM 50 CA ALA A 5 -10.085 -4.003 8.403 1.00 0.00 C ATOM 51 C ALA A 5 -9.921 -5.427 7.882 1.00 0.00 C ATOM 52 O ALA A 5 -9.409 -6.305 8.583 1.00 0.00 O ATOM 53 CB ALA A 5 -8.935 -3.632 9.326 1.00 0.00 C ATOM 0 H ALA A 5 -11.327 -4.089 10.082 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.073 -3.328 7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.990 -3.753 8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.043 -2.595 9.643 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.947 -4.282 10.201 1.00 0.00 H new ATOM 59 N THR A 6 -10.384 -5.660 6.665 1.00 0.00 N ATOM 60 CA THR A 6 -10.287 -6.974 6.049 1.00 0.00 C ATOM 61 C THR A 6 -9.205 -6.978 4.975 1.00 0.00 C ATOM 62 O THR A 6 -9.425 -6.529 3.850 1.00 0.00 O ATOM 63 CB THR A 6 -11.634 -7.396 5.435 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.585 -6.326 5.560 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.175 -8.640 6.119 1.00 0.00 C ATOM 0 H THR A 6 -10.833 -4.954 6.082 1.00 0.00 H new ATOM 0 HA THR A 6 -10.022 -7.691 6.826 1.00 0.00 H new ATOM 0 HB THR A 6 -11.473 -7.621 4.381 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.428 -5.665 4.854 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.127 -8.918 5.668 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.465 -9.458 6.001 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.322 -8.437 7.180 1.00 0.00 H new ATOM 73 N VAL A 7 -8.027 -7.459 5.332 1.00 0.00 N ATOM 74 CA VAL A 7 -6.915 -7.508 4.397 1.00 0.00 C ATOM 75 C VAL A 7 -6.306 -8.903 4.350 1.00 0.00 C ATOM 76 O VAL A 7 -6.181 -9.572 5.379 1.00 0.00 O ATOM 77 CB VAL A 7 -5.818 -6.488 4.770 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.268 -5.068 4.452 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.438 -6.609 6.242 1.00 0.00 C ATOM 0 H VAL A 7 -7.815 -7.821 6.262 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.313 -7.253 3.415 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.936 -6.712 4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.479 -4.367 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.478 -4.983 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.170 -4.836 5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.663 -5.880 6.479 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.315 -6.421 6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.063 -7.613 6.440 1.00 0.00 H new ATOM 89 N THR A 8 -5.936 -9.341 3.155 1.00 0.00 N ATOM 90 CA THR A 8 -5.336 -10.652 2.979 1.00 0.00 C ATOM 91 C THR A 8 -3.868 -10.517 2.571 1.00 0.00 C ATOM 92 O THR A 8 -3.564 -10.218 1.416 1.00 0.00 O ATOM 93 CB THR A 8 -6.097 -11.466 1.919 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.504 -11.201 2.030 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.842 -12.955 2.095 1.00 0.00 C ATOM 0 H THR A 8 -6.042 -8.806 2.293 1.00 0.00 H new ATOM 0 HA THR A 8 -5.395 -11.179 3.931 1.00 0.00 H new ATOM 0 HB THR A 8 -5.742 -11.169 0.932 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.989 -11.718 1.353 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.390 -13.510 1.334 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.776 -13.156 1.993 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.177 -13.267 3.084 1.00 0.00 H new ATOM 103 N PRO A 9 -2.943 -10.713 3.525 1.00 0.00 N ATOM 104 CA PRO A 9 -1.506 -10.597 3.266 1.00 0.00 C ATOM 105 C PRO A 9 -0.904 -11.847 2.619 1.00 0.00 C ATOM 106 O PRO A 9 -1.307 -12.972 2.911 1.00 0.00 O ATOM 107 CB PRO A 9 -0.929 -10.384 4.664 1.00 0.00 C ATOM 108 CG PRO A 9 -1.859 -11.110 5.577 1.00 0.00 C ATOM 109 CD PRO A 9 -3.223 -11.059 4.934 1.00 0.00 C ATOM 0 HA PRO A 9 -1.284 -9.798 2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.085 -10.778 4.737 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.878 -9.324 4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.536 -12.141 5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.877 -10.644 6.562 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.738 -12.016 5.015 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.860 -10.313 5.409 1.00 0.00 H new ATOM 117 N SER A 10 0.071 -11.637 1.743 1.00 0.00 N ATOM 118 CA SER A 10 0.741 -12.730 1.047 1.00 0.00 C ATOM 119 C SER A 10 1.915 -13.264 1.872 1.00 0.00 C ATOM 120 O SER A 10 3.022 -13.444 1.364 1.00 0.00 O ATOM 121 CB SER A 10 1.226 -12.240 -0.317 1.00 0.00 C ATOM 122 OG SER A 10 0.209 -11.505 -0.975 1.00 0.00 O ATOM 0 H SER A 10 0.418 -10.710 1.496 1.00 0.00 H new ATOM 0 HA SER A 10 0.033 -13.547 0.907 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.110 -11.615 -0.191 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.522 -13.091 -0.931 1.00 0.00 H new ATOM 0 HG SER A 10 0.476 -11.335 -1.903 1.00 0.00 H new ATOM 128 N SER A 11 1.657 -13.522 3.145 1.00 0.00 N ATOM 129 CA SER A 11 2.673 -14.019 4.057 1.00 0.00 C ATOM 130 C SER A 11 3.092 -15.450 3.717 1.00 0.00 C ATOM 131 O SER A 11 2.335 -16.395 3.938 1.00 0.00 O ATOM 132 CB SER A 11 2.135 -13.963 5.485 1.00 0.00 C ATOM 133 OG SER A 11 1.589 -12.684 5.767 1.00 0.00 O ATOM 0 H SER A 11 0.740 -13.393 3.573 1.00 0.00 H new ATOM 0 HA SER A 11 3.556 -13.387 3.960 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.370 -14.728 5.621 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.937 -14.185 6.190 1.00 0.00 H new ATOM 0 HG SER A 11 1.248 -12.669 6.686 1.00 0.00 H new ATOM 139 N GLY A 12 4.298 -15.603 3.175 1.00 0.00 N ATOM 140 CA GLY A 12 4.797 -16.922 2.833 1.00 0.00 C ATOM 141 C GLY A 12 4.717 -17.218 1.350 1.00 0.00 C ATOM 142 O GLY A 12 5.116 -18.293 0.904 1.00 0.00 O ATOM 0 H GLY A 12 4.938 -14.836 2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.833 -17.009 3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.227 -17.673 3.379 1.00 0.00 H new ATOM 146 N LEU A 13 4.219 -16.263 0.583 1.00 0.00 N ATOM 147 CA LEU A 13 4.084 -16.440 -0.855 1.00 0.00 C ATOM 148 C LEU A 13 5.262 -15.797 -1.588 1.00 0.00 C ATOM 149 O LEU A 13 6.158 -15.236 -0.961 1.00 0.00 O ATOM 150 CB LEU A 13 2.750 -15.857 -1.340 1.00 0.00 C ATOM 151 CG LEU A 13 1.503 -16.446 -0.671 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.239 -15.814 -1.233 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.467 -17.956 -0.847 1.00 0.00 C ATOM 0 H LEU A 13 3.902 -15.358 0.930 1.00 0.00 H new ATOM 0 HA LEU A 13 4.091 -17.507 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.759 -14.780 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.673 -16.011 -2.416 1.00 0.00 H new ATOM 0 HG LEU A 13 1.551 -16.223 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.633 -16.247 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.259 -14.739 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.184 -16.002 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.575 -18.357 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.446 -18.198 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.354 -18.397 -0.392 1.00 0.00 H new ATOM 165 N SER A 14 5.276 -15.916 -2.906 1.00 0.00 N ATOM 166 CA SER A 14 6.345 -15.346 -3.714 1.00 0.00 C ATOM 167 C SER A 14 5.899 -14.023 -4.331 1.00 0.00 C ATOM 168 O SER A 14 4.757 -13.601 -4.143 1.00 0.00 O ATOM 169 CB SER A 14 6.743 -16.332 -4.811 1.00 0.00 C ATOM 170 OG SER A 14 6.770 -17.660 -4.311 1.00 0.00 O ATOM 0 H SER A 14 4.557 -16.403 -3.441 1.00 0.00 H new ATOM 0 HA SER A 14 7.207 -15.155 -3.075 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.038 -16.265 -5.639 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.724 -16.067 -5.205 1.00 0.00 H new ATOM 0 HG SER A 14 7.059 -17.651 -3.375 1.00 0.00 H new ATOM 176 N ASP A 15 6.796 -13.371 -5.064 1.00 0.00 N ATOM 177 CA ASP A 15 6.471 -12.104 -5.706 1.00 0.00 C ATOM 178 C ASP A 15 5.520 -12.340 -6.868 1.00 0.00 C ATOM 179 O ASP A 15 5.372 -13.468 -7.340 1.00 0.00 O ATOM 180 CB ASP A 15 7.736 -11.401 -6.205 1.00 0.00 C ATOM 181 CG ASP A 15 8.264 -11.993 -7.497 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.049 -12.960 -7.428 1.00 0.00 O ATOM 183 OD2 ASP A 15 7.903 -11.493 -8.580 1.00 0.00 O ATOM 0 H ASP A 15 7.748 -13.698 -5.227 1.00 0.00 H new ATOM 0 HA ASP A 15 5.990 -11.462 -4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.523 -10.343 -6.356 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.508 -11.465 -5.439 1.00 0.00 H new ATOM 188 N GLY A 16 4.873 -11.280 -7.321 1.00 0.00 N ATOM 189 CA GLY A 16 3.936 -11.404 -8.415 1.00 0.00 C ATOM 190 C GLY A 16 2.550 -11.747 -7.919 1.00 0.00 C ATOM 191 O GLY A 16 1.596 -11.790 -8.689 1.00 0.00 O ATOM 0 H GLY A 16 4.980 -10.336 -6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.903 -10.469 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.279 -12.176 -9.104 1.00 0.00 H new ATOM 195 N THR A 17 2.445 -11.994 -6.623 1.00 0.00 N ATOM 196 CA THR A 17 1.176 -12.329 -6.011 1.00 0.00 C ATOM 197 C THR A 17 0.344 -11.068 -5.815 1.00 0.00 C ATOM 198 O THR A 17 0.883 -9.995 -5.525 1.00 0.00 O ATOM 199 CB THR A 17 1.389 -13.042 -4.660 1.00 0.00 C ATOM 200 OG1 THR A 17 2.282 -14.152 -4.839 1.00 0.00 O ATOM 201 CG2 THR A 17 0.070 -13.538 -4.087 1.00 0.00 C ATOM 0 H THR A 17 3.231 -11.968 -5.974 1.00 0.00 H new ATOM 0 HA THR A 17 0.642 -13.009 -6.674 1.00 0.00 H new ATOM 0 HB THR A 17 1.819 -12.327 -3.959 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.207 -13.850 -4.721 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.251 -14.036 -3.135 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.600 -12.693 -3.932 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.388 -14.241 -4.783 1.00 0.00 H new ATOM 209 N VAL A 18 -0.958 -11.192 -6.001 1.00 0.00 N ATOM 210 CA VAL A 18 -1.856 -10.067 -5.856 1.00 0.00 C ATOM 211 C VAL A 18 -2.416 -10.001 -4.437 1.00 0.00 C ATOM 212 O VAL A 18 -3.076 -10.931 -3.974 1.00 0.00 O ATOM 213 CB VAL A 18 -3.016 -10.150 -6.867 1.00 0.00 C ATOM 214 CG1 VAL A 18 -3.893 -8.918 -6.774 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.483 -10.328 -8.283 1.00 0.00 C ATOM 0 H VAL A 18 -1.416 -12.067 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.283 -9.161 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.624 -11.021 -6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.706 -8.995 -7.495 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.306 -8.841 -5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.298 -8.031 -6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.318 -10.384 -8.982 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.849 -9.480 -8.543 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.900 -11.247 -8.339 1.00 0.00 H new ATOM 225 N VAL A 19 -2.127 -8.907 -3.750 1.00 0.00 N ATOM 226 CA VAL A 19 -2.600 -8.702 -2.387 1.00 0.00 C ATOM 227 C VAL A 19 -3.987 -8.066 -2.407 1.00 0.00 C ATOM 228 O VAL A 19 -4.206 -7.073 -3.100 1.00 0.00 O ATOM 229 CB VAL A 19 -1.641 -7.795 -1.585 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.062 -7.722 -0.126 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.207 -8.287 -1.701 1.00 0.00 C ATOM 0 H VAL A 19 -1.562 -8.141 -4.117 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.641 -9.677 -1.902 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.694 -6.792 -2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.373 -7.078 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.070 -7.314 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.045 -8.722 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.450 -7.632 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.138 -9.302 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.097 -8.279 -2.748 1.00 0.00 H new ATOM 241 N LYS A 20 -4.917 -8.631 -1.646 1.00 0.00 N ATOM 242 CA LYS A 20 -6.277 -8.110 -1.605 1.00 0.00 C ATOM 243 C LYS A 20 -6.492 -7.219 -0.384 1.00 0.00 C ATOM 244 O LYS A 20 -6.166 -7.597 0.743 1.00 0.00 O ATOM 245 CB LYS A 20 -7.304 -9.247 -1.590 1.00 0.00 C ATOM 246 CG LYS A 20 -8.740 -8.754 -1.725 1.00 0.00 C ATOM 247 CD LYS A 20 -9.714 -9.593 -0.912 1.00 0.00 C ATOM 248 CE LYS A 20 -10.195 -10.802 -1.693 1.00 0.00 C ATOM 249 NZ LYS A 20 -11.303 -11.510 -0.998 1.00 0.00 N ATOM 0 H LYS A 20 -4.755 -9.445 -1.053 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.418 -7.514 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.085 -9.938 -2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.204 -9.807 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.798 -7.715 -1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.033 -8.776 -2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.232 -9.922 0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.569 -8.982 -0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.530 -10.486 -2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.363 -11.490 -1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.601 -12.329 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.976 -11.835 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.107 -10.862 -0.876 1.00 0.00 H new ATOM 263 N VAL A 21 -7.044 -6.039 -0.625 1.00 0.00 N ATOM 264 CA VAL A 21 -7.332 -5.085 0.433 1.00 0.00 C ATOM 265 C VAL A 21 -8.794 -4.657 0.351 1.00 0.00 C ATOM 266 O VAL A 21 -9.197 -3.996 -0.605 1.00 0.00 O ATOM 267 CB VAL A 21 -6.416 -3.841 0.342 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.828 -2.783 1.355 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.960 -4.231 0.549 1.00 0.00 C ATOM 0 H VAL A 21 -7.304 -5.717 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.141 -5.572 1.389 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.525 -3.418 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.168 -1.920 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.855 -2.474 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.757 -3.196 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.332 -3.343 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.841 -4.685 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.662 -4.945 -0.219 1.00 0.00 H new ATOM 279 N ALA A 22 -9.589 -5.061 1.332 1.00 0.00 N ATOM 280 CA ALA A 22 -11.004 -4.714 1.358 1.00 0.00 C ATOM 281 C ALA A 22 -11.366 -4.028 2.670 1.00 0.00 C ATOM 282 O ALA A 22 -11.641 -4.683 3.676 1.00 0.00 O ATOM 283 CB ALA A 22 -11.858 -5.955 1.149 1.00 0.00 C ATOM 0 H ALA A 22 -9.279 -5.629 2.120 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.203 -4.017 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.912 -5.679 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.620 -6.402 0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.655 -6.674 1.942 1.00 0.00 H new ATOM 289 N GLY A 23 -11.362 -2.707 2.655 1.00 0.00 N ATOM 290 CA GLY A 23 -11.679 -1.957 3.848 1.00 0.00 C ATOM 291 C GLY A 23 -13.137 -1.553 3.903 1.00 0.00 C ATOM 292 O GLY A 23 -13.680 -1.036 2.927 1.00 0.00 O ATOM 0 H GLY A 23 -11.144 -2.139 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.437 -2.556 4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.055 -1.064 3.890 1.00 0.00 H new ATOM 296 N ALA A 24 -13.777 -1.802 5.034 1.00 0.00 N ATOM 297 CA ALA A 24 -15.176 -1.446 5.215 1.00 0.00 C ATOM 298 C ALA A 24 -15.314 -0.498 6.398 1.00 0.00 C ATOM 299 O ALA A 24 -14.562 -0.596 7.368 1.00 0.00 O ATOM 300 CB ALA A 24 -16.022 -2.693 5.419 1.00 0.00 C ATOM 0 H ALA A 24 -13.349 -2.251 5.844 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.535 -0.942 4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.065 -2.407 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.932 -3.340 4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.676 -3.227 6.304 1.00 0.00 H new ATOM 306 N GLY A 25 -16.268 0.416 6.322 1.00 0.00 N ATOM 307 CA GLY A 25 -16.458 1.372 7.394 1.00 0.00 C ATOM 308 C GLY A 25 -15.519 2.550 7.249 1.00 0.00 C ATOM 309 O GLY A 25 -15.034 3.106 8.236 1.00 0.00 O ATOM 0 H GLY A 25 -16.914 0.514 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.490 1.724 7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.289 0.884 8.354 1.00 0.00 H new ATOM 313 N LEU A 26 -15.255 2.914 6.003 1.00 0.00 N ATOM 314 CA LEU A 26 -14.366 4.019 5.682 1.00 0.00 C ATOM 315 C LEU A 26 -15.177 5.269 5.359 1.00 0.00 C ATOM 316 O LEU A 26 -16.393 5.292 5.555 1.00 0.00 O ATOM 317 CB LEU A 26 -13.467 3.646 4.497 1.00 0.00 C ATOM 318 CG LEU A 26 -12.651 2.361 4.670 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.856 2.057 3.410 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.722 2.471 5.868 1.00 0.00 C ATOM 0 H LEU A 26 -15.652 2.451 5.186 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.735 4.226 6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.090 3.544 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.779 4.471 4.311 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.345 1.540 4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.283 1.141 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.539 1.930 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.175 2.882 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.152 1.548 5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.037 3.306 5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.310 2.638 6.770 1.00 0.00 H new ATOM 332 N GLN A 27 -14.511 6.296 4.854 1.00 0.00 N ATOM 333 CA GLN A 27 -15.179 7.543 4.522 1.00 0.00 C ATOM 334 C GLN A 27 -15.609 7.559 3.059 1.00 0.00 C ATOM 335 O GLN A 27 -14.777 7.694 2.155 1.00 0.00 O ATOM 336 CB GLN A 27 -14.263 8.732 4.820 1.00 0.00 C ATOM 337 CG GLN A 27 -14.923 10.087 4.597 1.00 0.00 C ATOM 338 CD GLN A 27 -16.281 10.202 5.272 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.543 9.574 6.300 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.156 11.008 4.696 1.00 0.00 N ATOM 0 H GLN A 27 -13.509 6.290 4.665 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.073 7.624 5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.925 8.668 5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.376 8.662 4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.267 10.871 4.975 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.039 10.257 3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.903 11.511 3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.084 11.127 5.102 1.00 0.00 H new ATOM 349 N ALA A 28 -16.911 7.417 2.838 1.00 0.00 N ATOM 350 CA ALA A 28 -17.472 7.424 1.493 1.00 0.00 C ATOM 351 C ALA A 28 -17.221 8.759 0.810 1.00 0.00 C ATOM 352 O ALA A 28 -17.655 9.803 1.298 1.00 0.00 O ATOM 353 CB ALA A 28 -18.964 7.134 1.539 1.00 0.00 C ATOM 0 H ALA A 28 -17.601 7.295 3.579 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.978 6.642 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.368 7.143 0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.131 6.155 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.465 7.896 2.136 1.00 0.00 H new ATOM 359 N GLY A 29 -16.519 8.721 -0.313 1.00 0.00 N ATOM 360 CA GLY A 29 -16.223 9.936 -1.041 1.00 0.00 C ATOM 361 C GLY A 29 -14.735 10.137 -1.249 1.00 0.00 C ATOM 362 O GLY A 29 -14.310 10.625 -2.296 1.00 0.00 O ATOM 0 H GLY A 29 -16.149 7.868 -0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.722 9.907 -2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.630 10.790 -0.499 1.00 0.00 H new ATOM 366 N THR A 30 -13.939 9.756 -0.258 1.00 0.00 N ATOM 367 CA THR A 30 -12.492 9.905 -0.347 1.00 0.00 C ATOM 368 C THR A 30 -11.852 8.708 -1.050 1.00 0.00 C ATOM 369 O THR A 30 -12.498 7.672 -1.255 1.00 0.00 O ATOM 370 CB THR A 30 -11.858 10.088 1.048 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.360 9.104 1.963 1.00 0.00 O ATOM 372 CG2 THR A 30 -12.146 11.481 1.588 1.00 0.00 C ATOM 0 H THR A 30 -14.269 9.343 0.614 1.00 0.00 H new ATOM 0 HA THR A 30 -12.301 10.801 -0.937 1.00 0.00 H new ATOM 0 HB THR A 30 -10.780 9.962 0.947 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.744 9.017 2.720 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.691 11.591 2.572 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.730 12.227 0.911 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.224 11.624 1.668 1.00 0.00 H new ATOM 380 N ALA A 31 -10.593 8.858 -1.431 1.00 0.00 N ATOM 381 CA ALA A 31 -9.869 7.798 -2.110 1.00 0.00 C ATOM 382 C ALA A 31 -8.686 7.324 -1.279 1.00 0.00 C ATOM 383 O ALA A 31 -8.063 8.108 -0.565 1.00 0.00 O ATOM 384 CB ALA A 31 -9.405 8.269 -3.477 1.00 0.00 C ATOM 0 H ALA A 31 -10.050 9.708 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.546 6.954 -2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.864 7.464 -3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.270 8.550 -4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.748 9.131 -3.361 1.00 0.00 H new ATOM 390 N TYR A 32 -8.394 6.037 -1.370 1.00 0.00 N ATOM 391 CA TYR A 32 -7.292 5.446 -0.634 1.00 0.00 C ATOM 392 C TYR A 32 -6.280 4.844 -1.599 1.00 0.00 C ATOM 393 O TYR A 32 -6.624 4.004 -2.432 1.00 0.00 O ATOM 394 CB TYR A 32 -7.811 4.369 0.327 1.00 0.00 C ATOM 395 CG TYR A 32 -8.834 4.880 1.324 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.174 5.010 0.974 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.458 5.232 2.615 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.106 5.477 1.879 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.388 5.698 3.526 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.710 5.817 3.153 1.00 0.00 C ATOM 401 OH TYR A 32 -11.641 6.280 4.058 1.00 0.00 O ATOM 0 H TYR A 32 -8.911 5.378 -1.952 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.802 6.227 -0.052 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.256 3.561 -0.254 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.968 3.944 0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.491 4.741 -0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.423 5.140 2.911 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.142 5.575 1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.080 5.968 4.525 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.199 6.474 4.911 1.00 0.00 H new ATOM 411 N ASP A 33 -5.043 5.293 -1.497 1.00 0.00 N ATOM 412 CA ASP A 33 -3.975 4.795 -2.354 1.00 0.00 C ATOM 413 C ASP A 33 -3.306 3.609 -1.681 1.00 0.00 C ATOM 414 O ASP A 33 -2.939 3.686 -0.506 1.00 0.00 O ATOM 415 CB ASP A 33 -2.950 5.896 -2.629 1.00 0.00 C ATOM 416 CG ASP A 33 -2.187 5.681 -3.921 1.00 0.00 C ATOM 417 OD1 ASP A 33 -1.514 4.642 -4.055 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.246 6.564 -4.806 1.00 0.00 O ATOM 0 H ASP A 33 -4.749 6.004 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.398 4.480 -3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.460 6.858 -2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.244 5.944 -1.800 1.00 0.00 H new ATOM 423 N VAL A 34 -3.156 2.514 -2.412 1.00 0.00 N ATOM 424 CA VAL A 34 -2.554 1.309 -1.857 1.00 0.00 C ATOM 425 C VAL A 34 -1.348 0.858 -2.674 1.00 0.00 C ATOM 426 O VAL A 34 -1.401 0.804 -3.906 1.00 0.00 O ATOM 427 CB VAL A 34 -3.574 0.148 -1.801 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.027 -1.019 -0.991 1.00 0.00 C ATOM 429 CG2 VAL A 34 -4.904 0.617 -1.227 1.00 0.00 C ATOM 0 H VAL A 34 -3.442 2.434 -3.388 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.231 1.561 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.744 -0.194 -2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.764 -1.822 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.108 -1.383 -1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.817 -0.689 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.603 -0.219 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.751 0.996 -0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.312 1.410 -1.854 1.00 0.00 H new ATOM 439 N GLY A 35 -0.263 0.547 -1.978 1.00 0.00 N ATOM 440 CA GLY A 35 0.941 0.076 -2.629 1.00 0.00 C ATOM 441 C GLY A 35 1.800 -0.727 -1.677 1.00 0.00 C ATOM 442 O GLY A 35 1.506 -0.797 -0.480 1.00 0.00 O ATOM 0 H GLY A 35 -0.197 0.614 -0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.676 -0.538 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.509 0.926 -3.007 1.00 0.00 H new ATOM 446 N GLN A 36 2.859 -1.340 -2.188 1.00 0.00 N ATOM 447 CA GLN A 36 3.756 -2.127 -1.342 1.00 0.00 C ATOM 448 C GLN A 36 4.791 -1.217 -0.689 1.00 0.00 C ATOM 449 O GLN A 36 5.995 -1.410 -0.833 1.00 0.00 O ATOM 450 CB GLN A 36 4.441 -3.240 -2.145 1.00 0.00 C ATOM 451 CG GLN A 36 5.021 -2.775 -3.469 1.00 0.00 C ATOM 452 CD GLN A 36 5.937 -3.801 -4.109 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.917 -3.985 -5.323 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.759 -4.460 -3.307 1.00 0.00 N ATOM 0 H GLN A 36 3.119 -1.311 -3.174 1.00 0.00 H new ATOM 0 HA GLN A 36 3.162 -2.601 -0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.239 -3.672 -1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.719 -4.035 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.206 -2.546 -4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.575 -1.850 -3.311 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.746 -4.279 -2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.405 -5.148 -3.693 1.00 0.00 H new ATOM 463 N CYS A 37 4.294 -0.223 0.030 1.00 0.00 N ATOM 464 CA CYS A 37 5.137 0.750 0.705 1.00 0.00 C ATOM 465 C CYS A 37 5.928 0.114 1.838 1.00 0.00 C ATOM 466 O CYS A 37 5.413 -0.075 2.937 1.00 0.00 O ATOM 467 CB CYS A 37 4.272 1.889 1.243 1.00 0.00 C ATOM 468 SG CYS A 37 2.709 2.120 0.328 1.00 0.00 S ATOM 0 H CYS A 37 3.294 -0.068 0.162 1.00 0.00 H new ATOM 0 HA CYS A 37 5.853 1.141 -0.018 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.044 1.696 2.291 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.844 2.816 1.207 1.00 0.00 H new ATOM 473 N ALA A 38 7.181 -0.214 1.558 1.00 0.00 N ATOM 474 CA ALA A 38 8.051 -0.827 2.546 1.00 0.00 C ATOM 475 C ALA A 38 9.004 0.197 3.146 1.00 0.00 C ATOM 476 O ALA A 38 9.045 1.351 2.708 1.00 0.00 O ATOM 477 CB ALA A 38 8.828 -1.977 1.926 1.00 0.00 C ATOM 0 H ALA A 38 7.618 -0.064 0.649 1.00 0.00 H new ATOM 0 HA ALA A 38 7.428 -1.219 3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.476 -2.426 2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.131 -2.727 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.435 -1.603 1.102 1.00 0.00 H new ATOM 483 N TRP A 39 9.755 -0.231 4.156 1.00 0.00 N ATOM 484 CA TRP A 39 10.722 0.628 4.831 1.00 0.00 C ATOM 485 C TRP A 39 11.776 1.121 3.845 1.00 0.00 C ATOM 486 O TRP A 39 12.592 0.342 3.344 1.00 0.00 O ATOM 487 CB TRP A 39 11.393 -0.140 5.973 1.00 0.00 C ATOM 488 CG TRP A 39 11.380 0.592 7.278 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.281 0.990 7.982 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.519 1.004 8.042 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.667 1.630 9.135 1.00 0.00 N ATOM 492 CE2 TRP A 39 12.035 1.650 9.194 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.900 0.890 7.862 1.00 0.00 C ATOM 494 CZ2 TRP A 39 12.885 2.178 10.161 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.742 1.415 8.822 1.00 0.00 C ATOM 496 CH2 TRP A 39 14.232 2.051 9.960 1.00 0.00 C ATOM 0 H TRP A 39 9.711 -1.180 4.529 1.00 0.00 H new ATOM 0 HA TRP A 39 10.197 1.491 5.240 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.890 -1.099 6.099 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.425 -0.355 5.697 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.258 0.826 7.678 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.037 2.026 9.833 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.302 0.400 6.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.495 2.671 11.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.811 1.334 8.693 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.916 2.450 10.694 1.00 0.00 H new ATOM 507 N VAL A 40 11.756 2.416 3.562 1.00 0.00 N ATOM 508 CA VAL A 40 12.699 3.000 2.626 1.00 0.00 C ATOM 509 C VAL A 40 13.820 3.728 3.374 1.00 0.00 C ATOM 510 O VAL A 40 14.939 3.840 2.874 1.00 0.00 O ATOM 511 CB VAL A 40 11.987 3.946 1.623 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.808 5.350 2.185 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.734 3.984 0.300 1.00 0.00 C ATOM 0 H VAL A 40 11.097 3.080 3.968 1.00 0.00 H new ATOM 0 HA VAL A 40 13.146 2.191 2.049 1.00 0.00 H new ATOM 0 HB VAL A 40 10.990 3.542 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.305 5.976 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.206 5.305 3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.784 5.776 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.219 4.653 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.749 4.345 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.771 2.981 -0.126 1.00 0.00 H new ATOM 523 N ASP A 41 13.518 4.188 4.583 1.00 0.00 N ATOM 524 CA ASP A 41 14.495 4.889 5.410 1.00 0.00 C ATOM 525 C ASP A 41 14.062 4.834 6.871 1.00 0.00 C ATOM 526 O ASP A 41 13.066 4.189 7.200 1.00 0.00 O ATOM 527 CB ASP A 41 14.657 6.347 4.957 1.00 0.00 C ATOM 528 CG ASP A 41 16.018 6.922 5.309 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.174 7.462 6.428 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.940 6.830 4.473 1.00 0.00 O ATOM 0 H ASP A 41 12.599 4.088 5.015 1.00 0.00 H new ATOM 0 HA ASP A 41 15.461 4.396 5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.510 6.407 3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.879 6.955 5.419 1.00 0.00 H new ATOM 535 N THR A 42 14.803 5.514 7.733 1.00 0.00 N ATOM 536 CA THR A 42 14.518 5.545 9.161 1.00 0.00 C ATOM 537 C THR A 42 13.164 6.189 9.447 1.00 0.00 C ATOM 538 O THR A 42 13.039 7.412 9.480 1.00 0.00 O ATOM 539 CB THR A 42 15.619 6.313 9.912 1.00 0.00 C ATOM 540 OG1 THR A 42 16.723 6.558 9.028 1.00 0.00 O ATOM 541 CG2 THR A 42 16.100 5.526 11.120 1.00 0.00 C ATOM 0 H THR A 42 15.620 6.061 7.462 1.00 0.00 H new ATOM 0 HA THR A 42 14.490 4.513 9.511 1.00 0.00 H new ATOM 0 HB THR A 42 15.205 7.260 10.258 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.423 7.049 9.507 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.878 6.089 11.635 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.265 5.356 11.800 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.502 4.567 10.793 1.00 0.00 H new ATOM 549 N GLY A 43 12.154 5.353 9.632 1.00 0.00 N ATOM 550 CA GLY A 43 10.822 5.842 9.914 1.00 0.00 C ATOM 551 C GLY A 43 10.150 6.396 8.678 1.00 0.00 C ATOM 552 O GLY A 43 9.188 7.158 8.769 1.00 0.00 O ATOM 0 H GLY A 43 12.235 4.337 9.591 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.218 5.033 10.324 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.875 6.618 10.677 1.00 0.00 H new ATOM 556 N VAL A 44 10.674 6.028 7.519 1.00 0.00 N ATOM 557 CA VAL A 44 10.127 6.488 6.255 1.00 0.00 C ATOM 558 C VAL A 44 9.848 5.299 5.350 1.00 0.00 C ATOM 559 O VAL A 44 10.676 4.393 5.228 1.00 0.00 O ATOM 560 CB VAL A 44 11.081 7.464 5.522 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.335 8.236 4.440 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.754 8.421 6.500 1.00 0.00 C ATOM 0 H VAL A 44 11.480 5.410 7.429 1.00 0.00 H new ATOM 0 HA VAL A 44 9.204 7.023 6.481 1.00 0.00 H new ATOM 0 HB VAL A 44 11.862 6.871 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.023 8.916 3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.921 7.536 3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.526 8.809 4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.417 9.092 5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.994 9.005 7.019 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.333 7.851 7.227 1.00 0.00 H new ATOM 572 N LEU A 45 8.681 5.290 4.737 1.00 0.00 N ATOM 573 CA LEU A 45 8.303 4.218 3.838 1.00 0.00 C ATOM 574 C LEU A 45 8.048 4.796 2.458 1.00 0.00 C ATOM 575 O LEU A 45 7.955 6.011 2.303 1.00 0.00 O ATOM 576 CB LEU A 45 7.064 3.487 4.363 1.00 0.00 C ATOM 577 CG LEU A 45 7.262 2.737 5.687 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.769 3.573 6.858 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.548 1.397 5.655 1.00 0.00 C ATOM 0 H LEU A 45 7.975 6.018 4.846 1.00 0.00 H new ATOM 0 HA LEU A 45 9.113 3.491 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.261 4.212 4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.733 2.775 3.606 1.00 0.00 H new ATOM 0 HG LEU A 45 8.329 2.557 5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.919 3.022 7.787 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.326 4.509 6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.708 3.788 6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.701 0.881 6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.482 1.557 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.949 0.790 4.843 1.00 0.00 H new ATOM 591 N ALA A 46 7.954 3.941 1.457 1.00 0.00 N ATOM 592 CA ALA A 46 7.720 4.402 0.098 1.00 0.00 C ATOM 593 C ALA A 46 6.956 3.360 -0.705 1.00 0.00 C ATOM 594 O ALA A 46 7.308 2.181 -0.693 1.00 0.00 O ATOM 595 CB ALA A 46 9.040 4.737 -0.576 1.00 0.00 C ATOM 0 H ALA A 46 8.035 2.929 1.556 1.00 0.00 H new ATOM 0 HA ALA A 46 7.111 5.305 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.852 5.081 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.546 5.523 -0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.670 3.848 -0.604 1.00 0.00 H new ATOM 601 N CYS A 47 5.913 3.801 -1.397 1.00 0.00 N ATOM 602 CA CYS A 47 5.092 2.901 -2.203 1.00 0.00 C ATOM 603 C CYS A 47 5.652 2.781 -3.611 1.00 0.00 C ATOM 604 O CYS A 47 6.527 3.547 -3.999 1.00 0.00 O ATOM 605 CB CYS A 47 3.650 3.406 -2.267 1.00 0.00 C ATOM 606 SG CYS A 47 2.949 3.882 -0.655 1.00 0.00 S ATOM 0 H CYS A 47 5.614 4.776 -1.417 1.00 0.00 H new ATOM 0 HA CYS A 47 5.106 1.918 -1.731 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.608 4.265 -2.936 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.025 2.629 -2.707 1.00 0.00 H new ATOM 611 N ASN A 48 5.147 1.824 -4.374 1.00 0.00 N ATOM 612 CA ASN A 48 5.598 1.615 -5.741 1.00 0.00 C ATOM 613 C ASN A 48 4.668 2.322 -6.723 1.00 0.00 C ATOM 614 O ASN A 48 3.461 2.093 -6.726 1.00 0.00 O ATOM 615 CB ASN A 48 5.676 0.116 -6.072 1.00 0.00 C ATOM 616 CG ASN A 48 4.350 -0.609 -5.904 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.591 -0.347 -4.966 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.073 -1.546 -6.798 1.00 0.00 N ATOM 0 H ASN A 48 4.421 1.177 -4.068 1.00 0.00 H new ATOM 0 HA ASN A 48 6.598 2.039 -5.834 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.020 -0.004 -7.099 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.422 -0.352 -5.429 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.207 -2.080 -6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.726 -1.733 -7.559 1.00 0.00 H new ATOM 625 N PRO A 49 5.216 3.210 -7.561 1.00 0.00 N ATOM 626 CA PRO A 49 4.427 3.949 -8.544 1.00 0.00 C ATOM 627 C PRO A 49 4.193 3.153 -9.826 1.00 0.00 C ATOM 628 O PRO A 49 3.422 3.570 -10.697 1.00 0.00 O ATOM 629 CB PRO A 49 5.297 5.172 -8.819 1.00 0.00 C ATOM 630 CG PRO A 49 6.697 4.691 -8.634 1.00 0.00 C ATOM 631 CD PRO A 49 6.643 3.589 -7.604 1.00 0.00 C ATOM 0 HA PRO A 49 3.427 4.185 -8.181 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.139 5.551 -9.829 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.064 5.986 -8.133 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.107 4.323 -9.574 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.344 5.502 -8.300 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.272 2.745 -7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.994 3.934 -6.631 1.00 0.00 H new ATOM 639 N ALA A 50 4.864 2.009 -9.936 1.00 0.00 N ATOM 640 CA ALA A 50 4.734 1.152 -11.105 1.00 0.00 C ATOM 641 C ALA A 50 3.437 0.350 -11.051 1.00 0.00 C ATOM 642 O ALA A 50 2.699 0.281 -12.035 1.00 0.00 O ATOM 643 CB ALA A 50 5.933 0.218 -11.210 1.00 0.00 C ATOM 0 H ALA A 50 5.505 1.656 -9.225 1.00 0.00 H new ATOM 0 HA ALA A 50 4.704 1.785 -11.992 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.823 -0.418 -12.089 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.846 0.807 -11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.989 -0.404 -10.317 1.00 0.00 H new ATOM 649 N ASP A 51 3.153 -0.239 -9.896 1.00 0.00 N ATOM 650 CA ASP A 51 1.946 -1.041 -9.720 1.00 0.00 C ATOM 651 C ASP A 51 1.151 -0.543 -8.524 1.00 0.00 C ATOM 652 O ASP A 51 1.309 -1.044 -7.408 1.00 0.00 O ATOM 653 CB ASP A 51 2.287 -2.527 -9.523 1.00 0.00 C ATOM 654 CG ASP A 51 2.799 -3.195 -10.784 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.993 -3.467 -11.700 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.013 -3.469 -10.862 1.00 0.00 O ATOM 0 H ASP A 51 3.742 -0.177 -9.066 1.00 0.00 H new ATOM 0 HA ASP A 51 1.347 -0.939 -10.625 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.039 -2.620 -8.740 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.398 -3.054 -9.176 1.00 0.00 H new ATOM 661 N PHE A 52 0.320 0.460 -8.749 1.00 0.00 N ATOM 662 CA PHE A 52 -0.502 1.018 -7.690 1.00 0.00 C ATOM 663 C PHE A 52 -1.929 1.187 -8.186 1.00 0.00 C ATOM 664 O PHE A 52 -2.171 1.241 -9.393 1.00 0.00 O ATOM 665 CB PHE A 52 0.063 2.361 -7.201 1.00 0.00 C ATOM 666 CG PHE A 52 -0.256 3.534 -8.092 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.576 3.870 -9.149 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.389 4.303 -7.867 1.00 0.00 C ATOM 669 CE1 PHE A 52 0.283 4.945 -9.965 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.687 5.378 -8.680 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.850 5.700 -9.729 1.00 0.00 C ATOM 0 H PHE A 52 0.197 0.905 -9.658 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.496 0.330 -6.845 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.326 2.563 -6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.146 2.274 -7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.464 3.284 -9.336 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.046 4.057 -7.046 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.938 5.195 -10.786 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.574 5.966 -8.495 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.080 6.542 -10.365 1.00 0.00 H new ATOM 681 N SER A 53 -2.869 1.251 -7.261 1.00 0.00 N ATOM 682 CA SER A 53 -4.267 1.418 -7.613 1.00 0.00 C ATOM 683 C SER A 53 -5.005 2.189 -6.528 1.00 0.00 C ATOM 684 O SER A 53 -5.140 1.720 -5.398 1.00 0.00 O ATOM 685 CB SER A 53 -4.928 0.057 -7.839 1.00 0.00 C ATOM 686 OG SER A 53 -4.315 -0.630 -8.917 1.00 0.00 O ATOM 0 H SER A 53 -2.689 1.190 -6.259 1.00 0.00 H new ATOM 0 HA SER A 53 -4.320 1.989 -8.540 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.855 -0.543 -6.932 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.989 0.194 -8.046 1.00 0.00 H new ATOM 0 HG SER A 53 -4.752 -1.498 -9.043 1.00 0.00 H new ATOM 692 N SER A 54 -5.451 3.387 -6.874 1.00 0.00 N ATOM 693 CA SER A 54 -6.187 4.225 -5.951 1.00 0.00 C ATOM 694 C SER A 54 -7.647 3.794 -5.915 1.00 0.00 C ATOM 695 O SER A 54 -8.374 3.937 -6.902 1.00 0.00 O ATOM 696 CB SER A 54 -6.067 5.688 -6.377 1.00 0.00 C ATOM 697 OG SER A 54 -5.624 5.788 -7.725 1.00 0.00 O ATOM 0 H SER A 54 -5.312 3.800 -7.796 1.00 0.00 H new ATOM 0 HA SER A 54 -5.770 4.118 -4.950 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.032 6.183 -6.269 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.368 6.206 -5.721 1.00 0.00 H new ATOM 0 HG SER A 54 -6.288 5.380 -8.319 1.00 0.00 H new ATOM 703 N VAL A 55 -8.069 3.242 -4.792 1.00 0.00 N ATOM 704 CA VAL A 55 -9.440 2.792 -4.647 1.00 0.00 C ATOM 705 C VAL A 55 -10.243 3.791 -3.826 1.00 0.00 C ATOM 706 O VAL A 55 -9.843 4.187 -2.731 1.00 0.00 O ATOM 707 CB VAL A 55 -9.511 1.379 -4.015 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.854 1.352 -2.642 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.950 0.888 -3.942 1.00 0.00 C ATOM 0 H VAL A 55 -7.484 3.095 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.877 2.728 -5.643 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.954 0.699 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.921 0.347 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.806 1.637 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.364 2.053 -1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.973 -0.106 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.538 1.574 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.371 0.844 -4.947 1.00 0.00 H new ATOM 719 N THR A 56 -11.353 4.237 -4.378 1.00 0.00 N ATOM 720 CA THR A 56 -12.196 5.184 -3.682 1.00 0.00 C ATOM 721 C THR A 56 -13.288 4.447 -2.916 1.00 0.00 C ATOM 722 O THR A 56 -13.736 3.377 -3.330 1.00 0.00 O ATOM 723 CB THR A 56 -12.816 6.225 -4.649 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.227 7.398 -3.928 1.00 0.00 O ATOM 725 CG2 THR A 56 -14.004 5.652 -5.406 1.00 0.00 C ATOM 0 H THR A 56 -11.690 3.961 -5.300 1.00 0.00 H new ATOM 0 HA THR A 56 -11.571 5.731 -2.976 1.00 0.00 H new ATOM 0 HB THR A 56 -12.046 6.493 -5.373 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.898 7.348 -3.006 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.411 6.412 -6.073 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.682 4.790 -5.991 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.772 5.343 -4.697 1.00 0.00 H new ATOM 733 N ALA A 57 -13.678 4.997 -1.780 1.00 0.00 N ATOM 734 CA ALA A 57 -14.719 4.389 -0.975 1.00 0.00 C ATOM 735 C ALA A 57 -16.070 4.578 -1.645 1.00 0.00 C ATOM 736 O ALA A 57 -16.411 5.688 -2.072 1.00 0.00 O ATOM 737 CB ALA A 57 -14.721 4.973 0.428 1.00 0.00 C ATOM 0 H ALA A 57 -13.291 5.859 -1.397 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.521 3.320 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.509 4.504 1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.756 4.788 0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.899 6.047 0.375 1.00 0.00 H new ATOM 743 N ASP A 58 -16.824 3.496 -1.753 1.00 0.00 N ATOM 744 CA ASP A 58 -18.140 3.544 -2.373 1.00 0.00 C ATOM 745 C ASP A 58 -19.134 4.242 -1.447 1.00 0.00 C ATOM 746 O ASP A 58 -18.769 4.664 -0.350 1.00 0.00 O ATOM 747 CB ASP A 58 -18.629 2.136 -2.750 1.00 0.00 C ATOM 748 CG ASP A 58 -18.499 1.121 -1.626 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.736 1.478 -0.453 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.163 -0.050 -1.916 1.00 0.00 O ATOM 0 H ASP A 58 -16.548 2.573 -1.419 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.064 4.120 -3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.674 2.194 -3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.063 1.784 -3.613 1.00 0.00 H new ATOM 755 N ALA A 59 -20.382 4.364 -1.888 1.00 0.00 N ATOM 756 CA ALA A 59 -21.418 5.027 -1.100 1.00 0.00 C ATOM 757 C ALA A 59 -21.658 4.315 0.232 1.00 0.00 C ATOM 758 O ALA A 59 -22.144 4.915 1.194 1.00 0.00 O ATOM 759 CB ALA A 59 -22.712 5.113 -1.897 1.00 0.00 C ATOM 0 H ALA A 59 -20.702 4.011 -2.790 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.070 6.035 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.476 5.609 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.540 5.683 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.048 4.109 -2.154 1.00 0.00 H new ATOM 765 N ASN A 60 -21.312 3.038 0.287 1.00 0.00 N ATOM 766 CA ASN A 60 -21.484 2.245 1.497 1.00 0.00 C ATOM 767 C ASN A 60 -20.343 2.501 2.472 1.00 0.00 C ATOM 768 O ASN A 60 -20.435 2.181 3.658 1.00 0.00 O ATOM 769 CB ASN A 60 -21.556 0.754 1.154 1.00 0.00 C ATOM 770 CG ASN A 60 -22.912 0.348 0.613 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.938 0.928 0.975 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.930 -0.645 -0.261 1.00 0.00 N ATOM 0 H ASN A 60 -20.908 2.525 -0.497 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.420 2.543 1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.789 0.516 0.417 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.334 0.168 2.046 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.815 -0.956 -0.661 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.059 -1.099 -0.535 1.00 0.00 H new ATOM 779 N GLY A 61 -19.274 3.097 1.970 1.00 0.00 N ATOM 780 CA GLY A 61 -18.124 3.380 2.799 1.00 0.00 C ATOM 781 C GLY A 61 -17.144 2.230 2.804 1.00 0.00 C ATOM 782 O GLY A 61 -16.506 1.948 3.816 1.00 0.00 O ATOM 0 H GLY A 61 -19.183 3.391 0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.627 4.280 2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.451 3.584 3.818 1.00 0.00 H new ATOM 786 N SER A 62 -17.045 1.548 1.678 1.00 0.00 N ATOM 787 CA SER A 62 -16.144 0.417 1.551 1.00 0.00 C ATOM 788 C SER A 62 -15.220 0.600 0.354 1.00 0.00 C ATOM 789 O SER A 62 -15.529 1.357 -0.564 1.00 0.00 O ATOM 790 CB SER A 62 -16.954 -0.872 1.413 1.00 0.00 C ATOM 791 OG SER A 62 -18.341 -0.592 1.249 1.00 0.00 O ATOM 0 H SER A 62 -17.580 1.758 0.835 1.00 0.00 H new ATOM 0 HA SER A 62 -15.526 0.353 2.447 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.592 -1.443 0.558 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.807 -1.493 2.296 1.00 0.00 H new ATOM 0 HG SER A 62 -18.458 0.083 0.549 1.00 0.00 H new ATOM 797 N ALA A 63 -14.080 -0.069 0.381 1.00 0.00 N ATOM 798 CA ALA A 63 -13.116 0.028 -0.702 1.00 0.00 C ATOM 799 C ALA A 63 -12.405 -1.302 -0.918 1.00 0.00 C ATOM 800 O ALA A 63 -11.681 -1.775 -0.044 1.00 0.00 O ATOM 801 CB ALA A 63 -12.105 1.127 -0.404 1.00 0.00 C ATOM 0 H ALA A 63 -13.799 -0.686 1.143 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.651 0.278 -1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.387 1.192 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.624 2.080 -0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.580 0.897 0.523 1.00 0.00 H new ATOM 807 N SER A 64 -12.626 -1.906 -2.074 1.00 0.00 N ATOM 808 CA SER A 64 -12.003 -3.177 -2.404 1.00 0.00 C ATOM 809 C SER A 64 -10.994 -2.991 -3.530 1.00 0.00 C ATOM 810 O SER A 64 -11.337 -2.491 -4.600 1.00 0.00 O ATOM 811 CB SER A 64 -13.067 -4.192 -2.817 1.00 0.00 C ATOM 812 OG SER A 64 -14.162 -4.180 -1.917 1.00 0.00 O ATOM 0 H SER A 64 -13.235 -1.534 -2.803 1.00 0.00 H new ATOM 0 HA SER A 64 -11.482 -3.551 -1.523 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.418 -3.966 -3.824 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.629 -5.190 -2.848 1.00 0.00 H new ATOM 0 HG SER A 64 -14.829 -4.837 -2.205 1.00 0.00 H new ATOM 818 N THR A 65 -9.754 -3.375 -3.280 1.00 0.00 N ATOM 819 CA THR A 65 -8.710 -3.254 -4.276 1.00 0.00 C ATOM 820 C THR A 65 -7.721 -4.410 -4.158 1.00 0.00 C ATOM 821 O THR A 65 -7.820 -5.239 -3.245 1.00 0.00 O ATOM 822 CB THR A 65 -7.966 -1.907 -4.145 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.230 -1.630 -5.342 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.023 -1.906 -2.946 1.00 0.00 C ATOM 0 H THR A 65 -9.448 -3.774 -2.393 1.00 0.00 H new ATOM 0 HA THR A 65 -9.182 -3.290 -5.258 1.00 0.00 H new ATOM 0 HB THR A 65 -8.713 -1.128 -3.990 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.764 -0.773 -5.248 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.515 -0.943 -2.883 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.595 -2.075 -2.033 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.284 -2.699 -3.064 1.00 0.00 H new ATOM 832 N SER A 66 -6.782 -4.463 -5.086 1.00 0.00 N ATOM 833 CA SER A 66 -5.766 -5.496 -5.112 1.00 0.00 C ATOM 834 C SER A 66 -4.540 -4.985 -5.854 1.00 0.00 C ATOM 835 O SER A 66 -4.668 -4.313 -6.879 1.00 0.00 O ATOM 836 CB SER A 66 -6.316 -6.754 -5.781 1.00 0.00 C ATOM 837 OG SER A 66 -7.300 -7.372 -4.966 1.00 0.00 O ATOM 0 H SER A 66 -6.704 -3.787 -5.846 1.00 0.00 H new ATOM 0 HA SER A 66 -5.479 -5.749 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.748 -6.497 -6.748 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.503 -7.455 -5.971 1.00 0.00 H new ATOM 0 HG SER A 66 -7.521 -6.782 -4.216 1.00 0.00 H new ATOM 843 N LEU A 67 -3.361 -5.275 -5.326 1.00 0.00 N ATOM 844 CA LEU A 67 -2.121 -4.827 -5.946 1.00 0.00 C ATOM 845 C LEU A 67 -1.131 -5.969 -6.097 1.00 0.00 C ATOM 846 O LEU A 67 -1.027 -6.836 -5.227 1.00 0.00 O ATOM 847 CB LEU A 67 -1.476 -3.705 -5.121 1.00 0.00 C ATOM 848 CG LEU A 67 -1.891 -2.276 -5.499 1.00 0.00 C ATOM 849 CD1 LEU A 67 -1.937 -2.118 -7.010 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.235 -1.924 -4.881 1.00 0.00 C ATOM 0 H LEU A 67 -3.235 -5.817 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.375 -4.450 -6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.717 -3.867 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.393 -3.786 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.145 -1.586 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.233 -1.099 -7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.951 -2.323 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.660 -2.819 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.509 -0.907 -5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.994 -2.618 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.166 -1.994 -3.795 1.00 0.00 H new ATOM 862 N THR A 68 -0.411 -5.964 -7.207 1.00 0.00 N ATOM 863 CA THR A 68 0.587 -6.981 -7.474 1.00 0.00 C ATOM 864 C THR A 68 1.919 -6.582 -6.845 1.00 0.00 C ATOM 865 O THR A 68 2.568 -5.637 -7.292 1.00 0.00 O ATOM 866 CB THR A 68 0.781 -7.190 -8.986 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.479 -7.084 -9.659 1.00 0.00 O ATOM 868 CG2 THR A 68 1.393 -8.552 -9.268 1.00 0.00 C ATOM 0 H THR A 68 -0.502 -5.261 -7.941 1.00 0.00 H new ATOM 0 HA THR A 68 0.236 -7.916 -7.037 1.00 0.00 H new ATOM 0 HB THR A 68 1.458 -6.419 -9.354 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.348 -7.216 -10.621 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.521 -8.678 -10.343 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.363 -8.624 -8.776 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.734 -9.333 -8.887 1.00 0.00 H new ATOM 876 N VAL A 69 2.318 -7.297 -5.801 1.00 0.00 N ATOM 877 CA VAL A 69 3.563 -7.000 -5.104 1.00 0.00 C ATOM 878 C VAL A 69 4.774 -7.523 -5.882 1.00 0.00 C ATOM 879 O VAL A 69 4.814 -8.684 -6.299 1.00 0.00 O ATOM 880 CB VAL A 69 3.558 -7.577 -3.664 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.375 -9.088 -3.670 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.830 -7.196 -2.923 1.00 0.00 C ATOM 0 H VAL A 69 1.798 -8.087 -5.418 1.00 0.00 H new ATOM 0 HA VAL A 69 3.642 -5.915 -5.035 1.00 0.00 H new ATOM 0 HB VAL A 69 2.709 -7.140 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.376 -9.459 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.426 -9.338 -4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.191 -9.551 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.803 -7.612 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.694 -7.592 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.906 -6.110 -2.865 1.00 0.00 H new ATOM 892 N ARG A 70 5.747 -6.647 -6.096 1.00 0.00 N ATOM 893 CA ARG A 70 6.965 -7.001 -6.810 1.00 0.00 C ATOM 894 C ARG A 70 8.096 -7.219 -5.816 1.00 0.00 C ATOM 895 O ARG A 70 7.995 -6.815 -4.655 1.00 0.00 O ATOM 896 CB ARG A 70 7.356 -5.897 -7.798 1.00 0.00 C ATOM 897 CG ARG A 70 6.215 -5.425 -8.684 1.00 0.00 C ATOM 898 CD ARG A 70 5.698 -6.535 -9.585 1.00 0.00 C ATOM 899 NE ARG A 70 4.619 -6.064 -10.448 1.00 0.00 N ATOM 900 CZ ARG A 70 3.881 -6.850 -11.225 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.128 -8.157 -11.291 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.897 -6.319 -11.943 1.00 0.00 N ATOM 0 H ARG A 70 5.714 -5.677 -5.782 1.00 0.00 H new ATOM 0 HA ARG A 70 6.784 -7.919 -7.369 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.744 -5.045 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.166 -6.260 -8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.401 -5.055 -8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.553 -4.589 -9.296 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.514 -6.918 -10.197 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.341 -7.364 -8.974 1.00 0.00 H new ATOM 0 HE ARG A 70 4.418 -5.064 -10.455 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.888 -8.561 -10.743 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.557 -8.754 -11.889 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.714 -5.317 -11.895 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.325 -6.914 -12.542 1.00 0.00 H new ATOM 916 N ARG A 71 9.162 -7.854 -6.274 1.00 0.00 N ATOM 917 CA ARG A 71 10.318 -8.118 -5.431 1.00 0.00 C ATOM 918 C ARG A 71 11.120 -6.839 -5.232 1.00 0.00 C ATOM 919 O ARG A 71 11.446 -6.464 -4.107 1.00 0.00 O ATOM 920 CB ARG A 71 11.198 -9.199 -6.055 1.00 0.00 C ATOM 921 CG ARG A 71 12.124 -9.869 -5.058 1.00 0.00 C ATOM 922 CD ARG A 71 11.391 -10.925 -4.253 1.00 0.00 C ATOM 923 NE ARG A 71 10.902 -12.006 -5.106 1.00 0.00 N ATOM 924 CZ ARG A 71 11.207 -13.287 -4.935 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.943 -13.668 -3.904 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.744 -14.187 -5.786 1.00 0.00 N ATOM 0 H ARG A 71 9.252 -8.198 -7.230 1.00 0.00 H new ATOM 0 HA ARG A 71 9.969 -8.473 -4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.562 -9.955 -6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.794 -8.757 -6.853 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.961 -10.326 -5.585 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.542 -9.120 -4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.058 -11.333 -3.494 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.553 -10.467 -3.728 1.00 0.00 H new ATOM 0 HE ARG A 71 10.287 -11.761 -5.882 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.280 -12.976 -3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.174 -14.654 -3.779 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.157 -13.895 -6.567 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.974 -15.173 -5.661 1.00 0.00 H new ATOM 940 N SER A 72 11.445 -6.193 -6.334 1.00 0.00 N ATOM 941 CA SER A 72 12.181 -4.945 -6.307 1.00 0.00 C ATOM 942 C SER A 72 11.314 -3.857 -6.933 1.00 0.00 C ATOM 943 O SER A 72 10.685 -4.088 -7.968 1.00 0.00 O ATOM 944 CB SER A 72 13.501 -5.108 -7.065 1.00 0.00 C ATOM 945 OG SER A 72 14.022 -6.426 -6.907 1.00 0.00 O ATOM 0 H SER A 72 11.207 -6.517 -7.271 1.00 0.00 H new ATOM 0 HA SER A 72 12.418 -4.663 -5.281 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.345 -4.899 -8.123 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.226 -4.380 -6.700 1.00 0.00 H new ATOM 0 HG SER A 72 14.495 -6.490 -6.051 1.00 0.00 H new ATOM 951 N PHE A 73 11.264 -2.690 -6.312 1.00 0.00 N ATOM 952 CA PHE A 73 10.433 -1.607 -6.817 1.00 0.00 C ATOM 953 C PHE A 73 11.038 -0.244 -6.500 1.00 0.00 C ATOM 954 O PHE A 73 12.054 -0.148 -5.813 1.00 0.00 O ATOM 955 CB PHE A 73 9.024 -1.706 -6.215 1.00 0.00 C ATOM 956 CG PHE A 73 8.983 -1.548 -4.716 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.385 -2.583 -3.884 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.547 -0.367 -4.140 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.346 -2.443 -2.510 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.506 -0.222 -2.764 1.00 0.00 C ATOM 961 CZ PHE A 73 8.910 -1.261 -1.950 1.00 0.00 C ATOM 0 H PHE A 73 11.785 -2.468 -5.463 1.00 0.00 H new ATOM 0 HA PHE A 73 10.376 -1.705 -7.901 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.393 -0.942 -6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.594 -2.672 -6.480 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.733 -3.510 -4.316 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.235 0.451 -4.772 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.657 -3.259 -1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.158 0.703 -2.328 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.885 -1.148 -0.876 1.00 0.00 H new ATOM 971 N GLU A 74 10.405 0.802 -7.009 1.00 0.00 N ATOM 972 CA GLU A 74 10.862 2.161 -6.773 1.00 0.00 C ATOM 973 C GLU A 74 10.045 2.788 -5.652 1.00 0.00 C ATOM 974 O GLU A 74 8.834 2.592 -5.575 1.00 0.00 O ATOM 975 CB GLU A 74 10.742 3.007 -8.045 1.00 0.00 C ATOM 976 CG GLU A 74 10.619 2.192 -9.326 1.00 0.00 C ATOM 977 CD GLU A 74 9.179 1.893 -9.694 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.623 0.898 -9.181 1.00 0.00 O ATOM 979 OE2 GLU A 74 8.606 2.648 -10.510 1.00 0.00 O ATOM 0 H GLU A 74 9.570 0.734 -7.591 1.00 0.00 H new ATOM 0 HA GLU A 74 11.912 2.129 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.871 3.656 -7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.616 3.654 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.093 2.735 -10.144 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.162 1.254 -9.208 1.00 0.00 H new ATOM 986 N GLY A 75 10.710 3.525 -4.782 1.00 0.00 N ATOM 987 CA GLY A 75 10.026 4.161 -3.677 1.00 0.00 C ATOM 988 C GLY A 75 9.458 5.513 -4.051 1.00 0.00 C ATOM 989 O GLY A 75 10.174 6.372 -4.573 1.00 0.00 O ATOM 0 H GLY A 75 11.715 3.696 -4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.220 3.514 -3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.719 4.279 -2.844 1.00 0.00 H new ATOM 993 N PHE A 76 8.179 5.707 -3.773 1.00 0.00 N ATOM 994 CA PHE A 76 7.505 6.952 -4.091 1.00 0.00 C ATOM 995 C PHE A 76 6.787 7.487 -2.861 1.00 0.00 C ATOM 996 O PHE A 76 6.156 6.724 -2.127 1.00 0.00 O ATOM 997 CB PHE A 76 6.504 6.731 -5.225 1.00 0.00 C ATOM 998 CG PHE A 76 6.520 7.805 -6.274 1.00 0.00 C ATOM 999 CD1 PHE A 76 7.576 7.906 -7.165 1.00 0.00 C ATOM 1000 CD2 PHE A 76 5.475 8.706 -6.376 1.00 0.00 C ATOM 1001 CE1 PHE A 76 7.587 8.889 -8.137 1.00 0.00 C ATOM 1002 CE2 PHE A 76 5.479 9.688 -7.345 1.00 0.00 C ATOM 1003 CZ PHE A 76 6.536 9.779 -8.229 1.00 0.00 C ATOM 0 H PHE A 76 7.584 5.011 -3.324 1.00 0.00 H new ATOM 0 HA PHE A 76 8.248 7.682 -4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.714 5.772 -5.699 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.501 6.665 -4.803 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.399 7.210 -7.100 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.645 8.640 -5.688 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.417 8.961 -8.824 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.657 10.385 -7.412 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.540 10.545 -8.991 1.00 0.00 H new ATOM 1013 N LEU A 77 6.883 8.792 -2.643 1.00 0.00 N ATOM 1014 CA LEU A 77 6.244 9.423 -1.496 1.00 0.00 C ATOM 1015 C LEU A 77 4.871 9.970 -1.881 1.00 0.00 C ATOM 1016 O LEU A 77 4.562 10.108 -3.068 1.00 0.00 O ATOM 1017 CB LEU A 77 7.126 10.554 -0.952 1.00 0.00 C ATOM 1018 CG LEU A 77 8.620 10.233 -0.864 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.389 11.444 -0.368 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.862 9.036 0.045 1.00 0.00 C ATOM 0 H LEU A 77 7.397 9.434 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 77 6.114 8.671 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.996 11.431 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.770 10.824 0.042 1.00 0.00 H new ATOM 0 HG LEU A 77 8.978 9.978 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.450 11.202 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.243 12.275 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.026 11.725 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.930 8.826 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.491 9.258 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.338 8.166 -0.352 1.00 0.00 H new ATOM 1032 N PHE A 78 4.052 10.286 -0.883 1.00 0.00 N ATOM 1033 CA PHE A 78 2.712 10.816 -1.121 1.00 0.00 C ATOM 1034 C PHE A 78 2.761 12.317 -1.392 1.00 0.00 C ATOM 1035 O PHE A 78 2.189 13.119 -0.646 1.00 0.00 O ATOM 1036 CB PHE A 78 1.802 10.540 0.079 1.00 0.00 C ATOM 1037 CG PHE A 78 1.280 9.135 0.145 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.587 8.588 -0.923 1.00 0.00 C ATOM 1039 CD2 PHE A 78 1.471 8.363 1.280 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.097 7.298 -0.862 1.00 0.00 C ATOM 1041 CE2 PHE A 78 0.984 7.072 1.346 1.00 0.00 C ATOM 1042 CZ PHE A 78 0.296 6.539 0.276 1.00 0.00 C ATOM 0 H PHE A 78 4.293 10.184 0.103 1.00 0.00 H new ATOM 0 HA PHE A 78 2.306 10.313 -1.999 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.352 10.754 0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.957 11.228 0.046 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.428 9.177 -1.814 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.007 8.775 2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.441 6.883 -1.702 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.142 6.480 2.235 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.087 5.530 0.327 1.00 0.00 H new ATOM 1052 N ASP A 79 3.459 12.691 -2.452 1.00 0.00 N ATOM 1053 CA ASP A 79 3.588 14.093 -2.833 1.00 0.00 C ATOM 1054 C ASP A 79 4.072 14.208 -4.273 1.00 0.00 C ATOM 1055 O ASP A 79 3.862 15.227 -4.927 1.00 0.00 O ATOM 1056 CB ASP A 79 4.543 14.836 -1.889 1.00 0.00 C ATOM 1057 CG ASP A 79 6.004 14.677 -2.264 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.480 13.530 -2.354 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.687 15.703 -2.460 1.00 0.00 O ATOM 0 H ASP A 79 3.948 12.042 -3.068 1.00 0.00 H new ATOM 0 HA ASP A 79 2.605 14.557 -2.753 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.289 15.896 -1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.394 14.471 -0.873 1.00 0.00 H new ATOM 1064 N GLY A 80 4.715 13.156 -4.764 1.00 0.00 N ATOM 1065 CA GLY A 80 5.199 13.168 -6.125 1.00 0.00 C ATOM 1066 C GLY A 80 6.701 13.006 -6.216 1.00 0.00 C ATOM 1067 O GLY A 80 7.241 12.826 -7.308 1.00 0.00 O ATOM 0 H GLY A 80 4.908 12.300 -4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.717 12.366 -6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.910 14.105 -6.600 1.00 0.00 H new ATOM 1071 N THR A 81 7.378 13.063 -5.077 1.00 0.00 N ATOM 1072 CA THR A 81 8.824 12.921 -5.046 1.00 0.00 C ATOM 1073 C THR A 81 9.221 11.454 -4.903 1.00 0.00 C ATOM 1074 O THR A 81 8.616 10.712 -4.123 1.00 0.00 O ATOM 1075 CB THR A 81 9.429 13.735 -3.885 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.847 15.045 -3.854 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.937 13.858 -4.031 1.00 0.00 C ATOM 0 H THR A 81 6.948 13.207 -4.164 1.00 0.00 H new ATOM 0 HA THR A 81 9.215 13.304 -5.989 1.00 0.00 H new ATOM 0 HB THR A 81 9.211 13.210 -2.955 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.255 15.122 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.337 14.437 -3.199 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.385 12.864 -4.030 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.172 14.361 -4.969 1.00 0.00 H new ATOM 1085 N ARG A 82 10.212 11.030 -5.679 1.00 0.00 N ATOM 1086 CA ARG A 82 10.692 9.658 -5.619 1.00 0.00 C ATOM 1087 C ARG A 82 11.862 9.556 -4.646 1.00 0.00 C ATOM 1088 O ARG A 82 12.609 10.516 -4.460 1.00 0.00 O ATOM 1089 CB ARG A 82 11.101 9.164 -7.015 1.00 0.00 C ATOM 1090 CG ARG A 82 12.212 9.974 -7.672 1.00 0.00 C ATOM 1091 CD ARG A 82 13.585 9.384 -7.382 1.00 0.00 C ATOM 1092 NE ARG A 82 14.671 10.260 -7.818 1.00 0.00 N ATOM 1093 CZ ARG A 82 15.264 11.167 -7.039 1.00 0.00 C ATOM 1094 NH1 ARG A 82 14.848 11.367 -5.797 1.00 0.00 N ATOM 1095 NH2 ARG A 82 16.269 11.885 -7.512 1.00 0.00 N ATOM 0 H ARG A 82 10.698 11.618 -6.356 1.00 0.00 H new ATOM 0 HA ARG A 82 9.884 9.021 -5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.422 8.125 -6.939 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.225 9.180 -7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.050 10.007 -8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.174 11.002 -7.312 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.679 9.198 -6.312 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.676 8.420 -7.882 1.00 0.00 H new ATOM 0 HE ARG A 82 14.997 10.172 -8.781 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.067 10.825 -5.427 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.309 12.063 -5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.589 11.745 -8.470 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.724 12.579 -6.919 1.00 0.00 H new ATOM 1109 N TRP A 83 12.019 8.401 -4.023 1.00 0.00 N ATOM 1110 CA TRP A 83 13.106 8.198 -3.075 1.00 0.00 C ATOM 1111 C TRP A 83 14.273 7.480 -3.742 1.00 0.00 C ATOM 1112 O TRP A 83 15.409 7.959 -3.733 1.00 0.00 O ATOM 1113 CB TRP A 83 12.617 7.387 -1.874 1.00 0.00 C ATOM 1114 CG TRP A 83 13.483 7.531 -0.661 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.536 6.741 -0.304 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.366 8.529 0.358 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.076 7.182 0.879 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.377 8.281 1.303 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.501 9.606 0.562 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.547 9.074 2.436 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.671 10.394 1.686 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.687 10.124 2.611 1.00 0.00 C ATOM 0 H TRP A 83 11.412 7.592 -4.154 1.00 0.00 H new ATOM 0 HA TRP A 83 13.446 9.175 -2.731 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.602 7.698 -1.625 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.568 6.334 -2.153 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.893 5.893 -0.869 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.868 6.760 1.363 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.713 9.820 -0.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.330 8.867 3.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.009 11.231 1.853 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.794 10.757 3.480 1.00 0.00 H new ATOM 1133 N GLY A 84 13.977 6.330 -4.327 1.00 0.00 N ATOM 1134 CA GLY A 84 14.990 5.538 -4.992 1.00 0.00 C ATOM 1135 C GLY A 84 14.521 4.114 -5.197 1.00 0.00 C ATOM 1136 O GLY A 84 13.372 3.796 -4.901 1.00 0.00 O ATOM 0 H GLY A 84 13.040 5.927 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.232 5.987 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.905 5.541 -4.400 1.00 0.00 H new ATOM 1140 N THR A 85 15.396 3.258 -5.696 1.00 0.00 N ATOM 1141 CA THR A 85 15.045 1.866 -5.935 1.00 0.00 C ATOM 1142 C THR A 85 15.327 1.011 -4.699 1.00 0.00 C ATOM 1143 O THR A 85 16.409 1.086 -4.111 1.00 0.00 O ATOM 1144 CB THR A 85 15.821 1.308 -7.146 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.632 2.164 -8.283 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.361 -0.102 -7.490 1.00 0.00 C ATOM 0 H THR A 85 16.355 3.501 -5.944 1.00 0.00 H new ATOM 0 HA THR A 85 13.977 1.825 -6.151 1.00 0.00 H new ATOM 0 HB THR A 85 16.878 1.272 -6.883 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.128 1.806 -9.048 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.925 -0.470 -8.347 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.530 -0.758 -6.636 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.299 -0.089 -7.733 1.00 0.00 H new ATOM 1154 N VAL A 86 14.347 0.210 -4.297 1.00 0.00 N ATOM 1155 CA VAL A 86 14.493 -0.659 -3.137 1.00 0.00 C ATOM 1156 C VAL A 86 14.239 -2.111 -3.522 1.00 0.00 C ATOM 1157 O VAL A 86 13.539 -2.392 -4.497 1.00 0.00 O ATOM 1158 CB VAL A 86 13.549 -0.258 -1.983 1.00 0.00 C ATOM 1159 CG1 VAL A 86 14.132 0.905 -1.200 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.167 0.097 -2.509 1.00 0.00 C ATOM 0 H VAL A 86 13.440 0.145 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 86 15.518 -0.546 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 86 13.449 -1.113 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.454 1.175 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 86 15.097 0.616 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.264 1.760 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.521 0.376 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.246 0.934 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.742 -0.764 -3.025 1.00 0.00 H new ATOM 1170 N ASP A 87 14.812 -3.028 -2.762 1.00 0.00 N ATOM 1171 CA ASP A 87 14.661 -4.448 -3.040 1.00 0.00 C ATOM 1172 C ASP A 87 14.196 -5.213 -1.802 1.00 0.00 C ATOM 1173 O ASP A 87 14.659 -4.949 -0.692 1.00 0.00 O ATOM 1174 CB ASP A 87 15.989 -5.021 -3.537 1.00 0.00 C ATOM 1175 CG ASP A 87 15.973 -6.531 -3.608 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.451 -7.078 -4.603 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.474 -7.181 -2.665 1.00 0.00 O ATOM 0 H ASP A 87 15.387 -2.816 -1.947 1.00 0.00 H new ATOM 0 HA ASP A 87 13.900 -4.563 -3.811 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.210 -4.616 -4.524 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.792 -4.699 -2.873 1.00 0.00 H new ATOM 1182 N CYS A 88 13.278 -6.154 -2.001 1.00 0.00 N ATOM 1183 CA CYS A 88 12.756 -6.968 -0.910 1.00 0.00 C ATOM 1184 C CYS A 88 13.167 -8.435 -1.073 1.00 0.00 C ATOM 1185 O CYS A 88 12.482 -9.343 -0.599 1.00 0.00 O ATOM 1186 CB CYS A 88 11.230 -6.851 -0.845 1.00 0.00 C ATOM 1187 SG CYS A 88 10.629 -5.619 0.363 1.00 0.00 S ATOM 0 H CYS A 88 12.879 -6.372 -2.914 1.00 0.00 H new ATOM 0 HA CYS A 88 13.181 -6.597 0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.854 -6.589 -1.834 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.812 -7.826 -0.593 1.00 0.00 H new ATOM 1192 N THR A 89 14.288 -8.667 -1.751 1.00 0.00 N ATOM 1193 CA THR A 89 14.790 -10.021 -1.953 1.00 0.00 C ATOM 1194 C THR A 89 15.482 -10.511 -0.688 1.00 0.00 C ATOM 1195 O THR A 89 15.401 -11.687 -0.331 1.00 0.00 O ATOM 1196 CB THR A 89 15.772 -10.100 -3.145 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.126 -9.632 -4.333 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.275 -11.524 -3.365 1.00 0.00 C ATOM 0 H THR A 89 14.864 -7.936 -2.169 1.00 0.00 H new ATOM 0 HA THR A 89 13.935 -10.658 -2.180 1.00 0.00 H new ATOM 0 HB THR A 89 16.631 -9.470 -2.914 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.517 -8.775 -4.602 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.963 -11.540 -4.211 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.792 -11.870 -2.470 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.430 -12.181 -3.572 1.00 0.00 H new ATOM 1206 N THR A 90 16.149 -9.591 -0.004 1.00 0.00 N ATOM 1207 CA THR A 90 16.856 -9.908 1.227 1.00 0.00 C ATOM 1208 C THR A 90 16.229 -9.165 2.408 1.00 0.00 C ATOM 1209 O THR A 90 16.847 -9.002 3.463 1.00 0.00 O ATOM 1210 CB THR A 90 18.362 -9.561 1.109 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.095 -10.128 2.201 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.588 -8.054 1.070 1.00 0.00 C ATOM 0 H THR A 90 16.215 -8.613 -0.285 1.00 0.00 H new ATOM 0 HA THR A 90 16.768 -10.980 1.401 1.00 0.00 H new ATOM 0 HB THR A 90 18.721 -9.986 0.172 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.607 -9.975 3.037 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.655 -7.848 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.069 -7.630 0.210 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.202 -7.604 1.985 1.00 0.00 H new ATOM 1220 N ALA A 91 14.982 -8.745 2.233 1.00 0.00 N ATOM 1221 CA ALA A 91 14.267 -8.015 3.269 1.00 0.00 C ATOM 1222 C ALA A 91 12.785 -8.364 3.248 1.00 0.00 C ATOM 1223 O ALA A 91 12.345 -9.199 2.453 1.00 0.00 O ATOM 1224 CB ALA A 91 14.457 -6.517 3.085 1.00 0.00 C ATOM 0 H ALA A 91 14.445 -8.899 1.380 1.00 0.00 H new ATOM 0 HA ALA A 91 14.675 -8.305 4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.917 -5.983 3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.518 -6.275 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.073 -6.219 2.110 1.00 0.00 H new ATOM 1230 N ALA A 92 12.019 -7.720 4.115 1.00 0.00 N ATOM 1231 CA ALA A 92 10.587 -7.958 4.194 1.00 0.00 C ATOM 1232 C ALA A 92 9.811 -6.716 3.773 1.00 0.00 C ATOM 1233 O ALA A 92 10.091 -5.612 4.241 1.00 0.00 O ATOM 1234 CB ALA A 92 10.198 -8.378 5.602 1.00 0.00 C ATOM 0 H ALA A 92 12.367 -7.026 4.776 1.00 0.00 H new ATOM 0 HA ALA A 92 10.334 -8.767 3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.123 -8.553 5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.726 -9.294 5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.466 -7.589 6.304 1.00 0.00 H new ATOM 1240 N CYS A 93 8.833 -6.906 2.900 1.00 0.00 N ATOM 1241 CA CYS A 93 8.013 -5.804 2.412 1.00 0.00 C ATOM 1242 C CYS A 93 6.744 -5.678 3.252 1.00 0.00 C ATOM 1243 O CYS A 93 6.528 -6.456 4.183 1.00 0.00 O ATOM 1244 CB CYS A 93 7.651 -6.029 0.936 1.00 0.00 C ATOM 1245 SG CYS A 93 8.745 -5.183 -0.260 1.00 0.00 S ATOM 0 H CYS A 93 8.586 -7.817 2.513 1.00 0.00 H new ATOM 0 HA CYS A 93 8.582 -4.878 2.498 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.671 -7.099 0.731 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.627 -5.692 0.772 1.00 0.00 H new ATOM 1250 N GLN A 94 5.908 -4.702 2.928 1.00 0.00 N ATOM 1251 CA GLN A 94 4.660 -4.496 3.646 1.00 0.00 C ATOM 1252 C GLN A 94 3.660 -3.771 2.760 1.00 0.00 C ATOM 1253 O GLN A 94 4.034 -3.155 1.762 1.00 0.00 O ATOM 1254 CB GLN A 94 4.887 -3.724 4.955 1.00 0.00 C ATOM 1255 CG GLN A 94 5.649 -2.428 4.786 1.00 0.00 C ATOM 1256 CD GLN A 94 6.898 -2.376 5.648 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.979 -2.786 5.226 1.00 0.00 O ATOM 1258 NE2 GLN A 94 6.758 -1.879 6.865 1.00 0.00 N ATOM 0 H GLN A 94 6.073 -4.039 2.170 1.00 0.00 H new ATOM 0 HA GLN A 94 4.254 -5.473 3.908 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.920 -3.507 5.408 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.429 -4.363 5.651 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.928 -2.307 3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.999 -1.591 5.042 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.845 -1.549 7.179 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.563 -1.826 7.490 1.00 0.00 H new ATOM 1267 N VAL A 95 2.390 -3.872 3.114 1.00 0.00 N ATOM 1268 CA VAL A 95 1.328 -3.233 2.350 1.00 0.00 C ATOM 1269 C VAL A 95 0.914 -1.927 3.010 1.00 0.00 C ATOM 1270 O VAL A 95 0.538 -1.908 4.184 1.00 0.00 O ATOM 1271 CB VAL A 95 0.092 -4.151 2.215 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.909 -3.574 1.222 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.508 -5.555 1.796 1.00 0.00 C ATOM 0 H VAL A 95 2.067 -4.393 3.929 1.00 0.00 H new ATOM 0 HA VAL A 95 1.720 -3.034 1.353 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.391 -4.210 3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.770 -4.239 1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.238 -2.593 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.437 -3.477 0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.377 -6.185 1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.021 -5.511 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.178 -5.975 2.546 1.00 0.00 H new ATOM 1283 N GLY A 96 0.981 -0.840 2.258 1.00 0.00 N ATOM 1284 CA GLY A 96 0.619 0.445 2.799 1.00 0.00 C ATOM 1285 C GLY A 96 -0.538 1.076 2.056 1.00 0.00 C ATOM 1286 O GLY A 96 -0.593 1.031 0.827 1.00 0.00 O ATOM 0 H GLY A 96 1.280 -0.828 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.355 0.333 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.481 1.110 2.757 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.468 1.645 2.803 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.630 2.296 2.221 1.00 0.00 C ATOM 1292 C LEU A 97 -2.967 3.546 3.021 1.00 0.00 C ATOM 1293 O LEU A 97 -2.939 3.529 4.256 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.837 1.342 2.174 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.474 0.986 3.522 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -5.914 0.536 3.321 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.679 -0.101 4.234 1.00 0.00 C ATOM 0 H LEU A 97 -1.441 1.669 3.822 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.394 2.578 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.603 1.790 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.524 0.418 1.689 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.464 1.879 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.355 0.286 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.485 1.341 2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.934 -0.341 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.154 -0.334 5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.652 -0.997 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.662 0.249 4.411 1.00 0.00 H new ATOM 1309 N SER A 98 -3.250 4.637 2.329 1.00 0.00 N ATOM 1310 CA SER A 98 -3.580 5.884 2.997 1.00 0.00 C ATOM 1311 C SER A 98 -4.481 6.750 2.133 1.00 0.00 C ATOM 1312 O SER A 98 -4.566 6.561 0.920 1.00 0.00 O ATOM 1313 CB SER A 98 -2.307 6.659 3.342 1.00 0.00 C ATOM 1314 OG SER A 98 -1.499 5.939 4.255 1.00 0.00 O ATOM 0 H SER A 98 -3.258 4.685 1.310 1.00 0.00 H new ATOM 0 HA SER A 98 -4.113 5.635 3.915 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.742 6.858 2.432 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.572 7.625 3.771 1.00 0.00 H new ATOM 0 HG SER A 98 -0.692 6.457 4.456 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.153 7.686 2.780 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.042 8.615 2.102 1.00 0.00 C ATOM 1322 C ASP A 99 -5.246 9.816 1.590 1.00 0.00 C ATOM 1323 O ASP A 99 -4.013 9.779 1.554 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.140 9.079 3.067 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.665 10.176 4.003 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.793 9.910 4.855 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.151 11.317 3.876 1.00 0.00 O ATOM 0 H ASP A 99 -5.098 7.824 3.789 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.507 8.114 1.253 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.994 9.439 2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.486 8.229 3.655 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.949 10.875 1.205 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.314 12.090 0.705 1.00 0.00 C ATOM 1334 C ALA A 100 -4.428 12.736 1.770 1.00 0.00 C ATOM 1335 O ALA A 100 -3.413 13.360 1.456 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.369 13.078 0.232 1.00 0.00 C ATOM 0 H ALA A 100 -6.968 10.917 1.230 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.679 11.813 -0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.882 13.980 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.956 12.628 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.025 13.335 1.063 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.825 12.601 3.029 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.064 13.163 4.135 1.00 0.00 C ATOM 1344 C ALA A 101 -2.891 12.261 4.497 1.00 0.00 C ATOM 1345 O ALA A 101 -1.765 12.728 4.679 1.00 0.00 O ATOM 1346 CB ALA A 101 -4.965 13.368 5.342 1.00 0.00 C ATOM 0 H ALA A 101 -5.672 12.106 3.309 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.668 14.130 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.384 13.789 6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.773 14.052 5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.385 12.410 5.649 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.160 10.968 4.601 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.115 10.019 4.936 1.00 0.00 C ATOM 1354 C GLY A 102 -2.488 9.140 6.112 1.00 0.00 C ATOM 1355 O GLY A 102 -1.614 8.644 6.829 1.00 0.00 O ATOM 0 H GLY A 102 -4.083 10.558 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.906 9.392 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.197 10.560 5.167 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.785 8.949 6.313 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.284 8.134 7.415 1.00 0.00 C ATOM 1361 C ASN A 103 -5.068 6.941 6.877 1.00 0.00 C ATOM 1362 O ASN A 103 -5.156 6.746 5.662 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.180 8.971 8.336 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.450 10.140 8.975 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.254 10.067 9.263 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -5.163 11.235 9.191 1.00 0.00 N ATOM 0 H ASN A 103 -4.515 9.350 5.724 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.431 7.770 7.988 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.027 9.348 7.764 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.584 8.331 9.120 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.724 12.055 9.609 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.151 11.258 8.939 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.641 6.156 7.782 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.409 4.991 7.387 1.00 0.00 C ATOM 1375 C GLY A 104 -6.039 3.768 8.206 1.00 0.00 C ATOM 1376 O GLY A 104 -5.505 3.903 9.309 1.00 0.00 O ATOM 0 H GLY A 104 -5.586 6.308 8.789 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.472 5.199 7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.240 4.785 6.330 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.321 2.560 7.695 1.00 0.00 N ATOM 1381 CA PRO A 105 -6.006 1.299 8.386 1.00 0.00 C ATOM 1382 C PRO A 105 -4.501 1.097 8.593 1.00 0.00 C ATOM 1383 O PRO A 105 -3.678 1.768 7.962 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.581 0.221 7.452 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.565 0.946 6.598 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.000 2.323 6.415 1.00 0.00 C ATOM 0 HA PRO A 105 -6.427 1.274 9.391 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.798 -0.240 6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.060 -0.578 8.017 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.696 0.445 5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.545 0.984 7.074 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.308 2.369 5.574 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.780 3.060 6.227 1.00 0.00 H new ATOM 1394 N GLU A 106 -4.156 0.174 9.484 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.764 -0.127 9.799 1.00 0.00 C ATOM 1396 C GLU A 106 -2.087 -0.884 8.656 1.00 0.00 C ATOM 1397 O GLU A 106 -2.746 -1.587 7.889 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.706 -0.959 11.082 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.382 -0.882 11.822 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.315 -1.852 12.982 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.890 -1.553 14.050 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.690 -2.925 12.832 1.00 0.00 O ATOM 0 H GLU A 106 -4.830 -0.385 10.007 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.229 0.812 9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.501 -0.629 11.750 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.909 -2.001 10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.568 -1.092 11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.233 0.133 12.191 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.772 -0.727 8.545 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.019 -1.405 7.507 1.00 0.00 C ATOM 1411 C GLY A 107 0.296 -2.840 7.887 1.00 0.00 C ATOM 1412 O GLY A 107 0.613 -3.126 9.044 1.00 0.00 O ATOM 0 H GLY A 107 -0.211 -0.138 9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.588 -1.391 6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.910 -0.866 7.320 1.00 0.00 H new ATOM 1416 N VAL A 108 0.206 -3.745 6.923 1.00 0.00 N ATOM 1417 CA VAL A 108 0.467 -5.156 7.174 1.00 0.00 C ATOM 1418 C VAL A 108 1.763 -5.598 6.507 1.00 0.00 C ATOM 1419 O VAL A 108 1.944 -5.405 5.305 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.694 -6.037 6.659 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.521 -7.479 7.107 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -2.037 -5.494 7.129 1.00 0.00 C ATOM 0 H VAL A 108 -0.046 -3.528 5.959 1.00 0.00 H new ATOM 0 HA VAL A 108 0.558 -5.280 8.253 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.674 -6.011 5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.351 -8.079 6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.417 -7.872 6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.505 -7.522 8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.838 -6.131 6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.063 -5.482 8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.172 -4.481 6.751 1.00 0.00 H new ATOM 1432 N ALA A 109 2.664 -6.183 7.285 1.00 0.00 N ATOM 1433 CA ALA A 109 3.935 -6.651 6.752 1.00 0.00 C ATOM 1434 C ALA A 109 3.755 -7.967 6.007 1.00 0.00 C ATOM 1435 O ALA A 109 2.942 -8.805 6.403 1.00 0.00 O ATOM 1436 CB ALA A 109 4.958 -6.805 7.867 1.00 0.00 C ATOM 0 H ALA A 109 2.538 -6.344 8.284 1.00 0.00 H new ATOM 0 HA ALA A 109 4.304 -5.906 6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.902 -7.156 7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.112 -5.842 8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.594 -7.527 8.598 1.00 0.00 H new ATOM 1442 N ILE A 110 4.501 -8.146 4.926 1.00 0.00 N ATOM 1443 CA ILE A 110 4.415 -9.363 4.132 1.00 0.00 C ATOM 1444 C ILE A 110 5.804 -9.923 3.843 1.00 0.00 C ATOM 1445 O ILE A 110 6.675 -9.232 3.311 1.00 0.00 O ATOM 1446 CB ILE A 110 3.661 -9.140 2.800 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.190 -7.899 2.075 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.167 -9.016 3.051 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.629 -7.718 0.678 1.00 0.00 C ATOM 0 H ILE A 110 5.174 -7.462 4.578 1.00 0.00 H new ATOM 0 HA ILE A 110 3.849 -10.082 4.725 1.00 0.00 H new ATOM 0 HB ILE A 110 3.835 -10.005 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.954 -7.015 2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.277 -7.961 2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.651 -8.859 2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.799 -9.930 3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.978 -8.170 3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.051 -6.818 0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.888 -8.583 0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.544 -7.623 0.731 1.00 0.00 H new ATOM 1461 N SER A 111 6.007 -11.171 4.218 1.00 0.00 N ATOM 1462 CA SER A 111 7.275 -11.841 4.005 1.00 0.00 C ATOM 1463 C SER A 111 7.147 -12.886 2.905 1.00 0.00 C ATOM 1464 O SER A 111 6.118 -13.556 2.788 1.00 0.00 O ATOM 1465 CB SER A 111 7.736 -12.493 5.304 1.00 0.00 C ATOM 1466 OG SER A 111 7.607 -11.593 6.393 1.00 0.00 O ATOM 0 H SER A 111 5.301 -11.747 4.677 1.00 0.00 H new ATOM 0 HA SER A 111 8.016 -11.105 3.693 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.146 -13.389 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.775 -12.809 5.209 1.00 0.00 H new ATOM 0 HG SER A 111 7.906 -12.031 7.217 1.00 0.00 H new ATOM 1472 N PHE A 112 8.188 -13.012 2.102 1.00 0.00 N ATOM 1473 CA PHE A 112 8.198 -13.970 1.010 1.00 0.00 C ATOM 1474 C PHE A 112 8.843 -15.275 1.464 1.00 0.00 C ATOM 1475 O PHE A 112 9.489 -15.322 2.510 1.00 0.00 O ATOM 1476 CB PHE A 112 8.960 -13.399 -0.190 1.00 0.00 C ATOM 1477 CG PHE A 112 8.423 -12.088 -0.692 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.420 -12.055 -1.645 1.00 0.00 C ATOM 1479 CD2 PHE A 112 8.919 -10.890 -0.206 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.926 -10.850 -2.108 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.430 -9.683 -0.665 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.431 -9.663 -1.614 1.00 0.00 C ATOM 0 H PHE A 112 9.042 -12.460 2.186 1.00 0.00 H new ATOM 0 HA PHE A 112 7.169 -14.169 0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.006 -13.269 0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.933 -14.125 -1.002 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.019 -12.981 -2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.698 -10.900 0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.146 -10.837 -2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.830 -8.756 -0.281 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.043 -8.720 -1.971 1.00 0.00 H new ATOM 1492 N ASN A 113 8.669 -16.331 0.687 1.00 0.00 N ATOM 1493 CA ASN A 113 9.248 -17.624 1.028 1.00 0.00 C ATOM 1494 C ASN A 113 10.660 -17.729 0.475 1.00 0.00 C ATOM 1495 O ASN A 113 11.486 -18.449 1.070 1.00 0.00 O ATOM 1496 CB ASN A 113 8.386 -18.776 0.505 1.00 0.00 C ATOM 1497 CG ASN A 113 8.405 -18.896 -1.008 1.00 0.00 C ATOM 1498 OD1 ASN A 113 7.438 -18.269 -1.656 1.00 0.00 O flip ATOM 1499 ND2 ASN A 113 9.268 -19.560 -1.586 1.00 0.00 N flip ATOM 1500 OXT ASN A 113 10.949 -17.069 -0.546 1.00 0.00 O ATOM 0 H ASN A 113 8.134 -16.321 -0.181 1.00 0.00 H new ATOM 0 HA ASN A 113 9.284 -17.700 2.115 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.736 -19.711 0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.358 -18.633 0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 113 9.997 -20.028 -1.048 1.00 0.00 H new ATOM 0 HD22 ASN A 113 9.253 -19.641 -2.603 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 3.997 6.308 4.315 1.00 20.00 O HETATM 1509 C8A FLN A 114 4.775 7.382 3.906 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.212 7.517 2.579 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.830 6.477 1.590 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.008 5.378 2.089 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.628 5.328 3.394 1.00 20.00 C HETATM 1514 C1' FLN A 114 2.798 4.316 4.137 1.00 20.00 C HETATM 1515 C2' FLN A 114 1.407 4.439 4.172 1.00 20.00 C HETATM 1516 C3' FLN A 114 0.645 3.495 4.863 1.00 20.00 C HETATM 1517 C4' FLN A 114 1.214 2.410 5.545 1.00 20.00 C HETATM 1518 C5' FLN A 114 2.611 2.328 5.485 1.00 20.00 C HETATM 1519 C6' FLN A 114 3.396 3.251 4.801 1.00 20.00 C HETATM 1520 O4 FLN A 114 5.187 6.554 0.409 1.00 20.00 O HETATM 1521 C5 FLN A 114 6.004 8.632 2.225 1.00 20.00 C HETATM 1522 C6 FLN A 114 6.343 9.583 3.201 1.00 20.00 C HETATM 1523 C7 FLN A 114 5.886 9.416 4.524 1.00 20.00 C HETATM 1524 C8 FLN A 114 5.102 8.319 4.880 1.00 20.00 C HETATM 0 H8 FLN A 114 4.751 8.198 5.905 1.00 20.00 H new HETATM 0 H7 FLN A 114 6.149 10.155 5.280 1.00 20.00 H new HETATM 0 H6' FLN A 114 4.480 3.139 4.786 1.00 20.00 H new HETATM 0 H6 FLN A 114 6.956 10.445 2.937 1.00 20.00 H new HETATM 0 H5' FLN A 114 3.106 1.503 5.998 1.00 20.00 H new HETATM 0 H5 FLN A 114 6.350 8.754 1.199 1.00 20.00 H new HETATM 0 H4' FLN A 114 0.611 1.680 6.085 1.00 20.00 H new HETATM 0 H3' FLN A 114 -0.439 3.606 4.873 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.695 4.588 1.407 1.00 20.00 H new HETATM 0 H2' FLN A 114 0.918 5.269 3.662 1.00 20.00 H new