USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 17:sc= 0.0803 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 167:sc= -0.0406 (180deg=-0.326) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.607 X(o=-0.61,f=-0.57) USER MOD Single : A 25 ASN : amide:sc=-0.00532 K(o=-0.0053,f=-0.72) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.344 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN :FLIP amide:sc= -0.0513 F(o=-0.62,f=-0.051) USER MOD Single : A 41 ASN : amide:sc= -1.03 X(o=-1,f=-1.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -2.45! C(o=-2.5!,f=-11!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.65 K(o=-1.7,f=-5.7!) USER MOD Single : A 61 THR OG1 : rot -79:sc= 0.703 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.56 K(o=-0.56,f=-4.3!) USER MOD Single : A 72 LYS NZ :NH3+ 161:sc= -0.025 (180deg=-0.33) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.953 29.430 14.181 1.00 0.00 N ATOM 2 CA GLY A 1 4.143 29.090 12.783 1.00 0.00 C ATOM 3 C GLY A 1 5.189 28.011 12.585 1.00 0.00 C ATOM 4 O GLY A 1 6.241 28.033 13.223 1.00 0.00 O ATOM 0 H1 GLY A 1 3.228 30.172 14.263 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.645 28.586 14.705 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.849 29.776 14.579 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.195 28.754 12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.438 29.983 12.232 1.00 0.00 H new ATOM 8 N SER A 2 4.899 27.063 11.700 1.00 0.00 N ATOM 9 CA SER A 2 5.821 25.967 11.424 1.00 0.00 C ATOM 10 C SER A 2 5.772 25.574 9.950 1.00 0.00 C ATOM 11 O SER A 2 4.857 25.962 9.223 1.00 0.00 O ATOM 12 CB SER A 2 5.485 24.758 12.298 1.00 0.00 C ATOM 13 OG SER A 2 5.998 24.917 13.609 1.00 0.00 O ATOM 0 H SER A 2 4.033 27.031 11.162 1.00 0.00 H new ATOM 0 HA SER A 2 6.830 26.306 11.658 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.404 24.626 12.341 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.899 23.855 11.849 1.00 0.00 H new ATOM 0 HG SER A 2 6.226 25.858 13.759 1.00 0.00 H new ATOM 19 N SER A 3 6.763 24.801 9.517 1.00 0.00 N ATOM 20 CA SER A 3 6.836 24.358 8.130 1.00 0.00 C ATOM 21 C SER A 3 5.986 23.110 7.913 1.00 0.00 C ATOM 22 O SER A 3 6.405 21.997 8.228 1.00 0.00 O ATOM 23 CB SER A 3 8.287 24.074 7.739 1.00 0.00 C ATOM 24 OG SER A 3 8.361 23.465 6.461 1.00 0.00 O ATOM 0 H SER A 3 7.526 24.469 10.107 1.00 0.00 H new ATOM 0 HA SER A 3 6.446 25.157 7.499 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.855 25.004 7.735 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.747 23.423 8.483 1.00 0.00 H new ATOM 0 HG SER A 3 9.299 23.295 6.233 1.00 0.00 H new ATOM 30 N GLY A 4 4.786 23.304 7.373 1.00 0.00 N ATOM 31 CA GLY A 4 3.895 22.187 7.123 1.00 0.00 C ATOM 32 C GLY A 4 4.426 21.248 6.058 1.00 0.00 C ATOM 33 O GLY A 4 4.525 21.618 4.888 1.00 0.00 O ATOM 0 H GLY A 4 4.416 24.216 7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.744 21.632 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.920 22.566 6.816 1.00 0.00 H new ATOM 37 N SER A 5 4.771 20.030 6.463 1.00 0.00 N ATOM 38 CA SER A 5 5.301 19.037 5.535 1.00 0.00 C ATOM 39 C SER A 5 4.173 18.221 4.911 1.00 0.00 C ATOM 40 O SER A 5 4.110 18.060 3.692 1.00 0.00 O ATOM 41 CB SER A 5 6.280 18.108 6.255 1.00 0.00 C ATOM 42 OG SER A 5 7.438 18.811 6.670 1.00 0.00 O ATOM 0 H SER A 5 4.693 19.707 7.427 1.00 0.00 H new ATOM 0 HA SER A 5 5.828 19.563 4.739 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.792 17.661 7.121 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.565 17.291 5.593 1.00 0.00 H new ATOM 0 HG SER A 5 8.047 18.196 7.129 1.00 0.00 H new ATOM 48 N SER A 6 3.284 17.709 5.755 1.00 0.00 N ATOM 49 CA SER A 6 2.160 16.906 5.288 1.00 0.00 C ATOM 50 C SER A 6 1.390 17.635 4.191 1.00 0.00 C ATOM 51 O SER A 6 0.858 18.723 4.408 1.00 0.00 O ATOM 52 CB SER A 6 1.222 16.577 6.451 1.00 0.00 C ATOM 53 OG SER A 6 0.463 15.411 6.180 1.00 0.00 O ATOM 0 H SER A 6 3.320 17.836 6.766 1.00 0.00 H new ATOM 0 HA SER A 6 2.556 15.978 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.803 16.433 7.362 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.552 17.418 6.631 1.00 0.00 H new ATOM 0 HG SER A 6 -0.127 15.221 6.939 1.00 0.00 H new ATOM 59 N GLY A 7 1.337 17.027 3.010 1.00 0.00 N ATOM 60 CA GLY A 7 0.631 17.632 1.895 1.00 0.00 C ATOM 61 C GLY A 7 1.465 17.664 0.630 1.00 0.00 C ATOM 62 O GLY A 7 0.976 17.342 -0.452 1.00 0.00 O ATOM 0 H GLY A 7 1.770 16.127 2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.288 17.077 1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.341 18.648 2.161 1.00 0.00 H new ATOM 66 N MET A 8 2.728 18.056 0.765 1.00 0.00 N ATOM 67 CA MET A 8 3.631 18.130 -0.377 1.00 0.00 C ATOM 68 C MET A 8 3.531 16.870 -1.232 1.00 0.00 C ATOM 69 O MET A 8 3.757 16.910 -2.441 1.00 0.00 O ATOM 70 CB MET A 8 5.072 18.325 0.097 1.00 0.00 C ATOM 71 CG MET A 8 5.697 17.067 0.678 1.00 0.00 C ATOM 72 SD MET A 8 7.467 17.244 0.975 1.00 0.00 S ATOM 73 CE MET A 8 7.477 18.571 2.178 1.00 0.00 C ATOM 0 H MET A 8 3.149 18.327 1.654 1.00 0.00 H new ATOM 0 HA MET A 8 3.337 18.985 -0.986 1.00 0.00 H new ATOM 0 HB2 MET A 8 5.678 18.668 -0.741 1.00 0.00 H new ATOM 0 HB3 MET A 8 5.095 19.113 0.850 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.199 16.818 1.615 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.529 16.234 -0.004 1.00 0.00 H new ATOM 0 HE1 MET A 8 8.465 18.643 2.632 1.00 0.00 H new ATOM 0 HE2 MET A 8 7.235 19.512 1.684 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.737 18.367 2.951 1.00 0.00 H new ATOM 83 N ALA A 9 3.192 15.754 -0.595 1.00 0.00 N ATOM 84 CA ALA A 9 3.060 14.484 -1.298 1.00 0.00 C ATOM 85 C ALA A 9 2.135 13.533 -0.545 1.00 0.00 C ATOM 86 O ALA A 9 2.291 13.320 0.658 1.00 0.00 O ATOM 87 CB ALA A 9 4.428 13.846 -1.496 1.00 0.00 C ATOM 0 H ALA A 9 3.004 15.704 0.406 1.00 0.00 H new ATOM 0 HA ALA A 9 2.618 14.682 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.315 12.898 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.059 14.513 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.891 13.669 -0.525 1.00 0.00 H new ATOM 93 N THR A 10 1.170 12.964 -1.261 1.00 0.00 N ATOM 94 CA THR A 10 0.219 12.038 -0.661 1.00 0.00 C ATOM 95 C THR A 10 0.897 10.730 -0.269 1.00 0.00 C ATOM 96 O THR A 10 1.869 10.310 -0.897 1.00 0.00 O ATOM 97 CB THR A 10 -0.948 11.731 -1.619 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.518 12.952 -2.102 1.00 0.00 O ATOM 99 CG2 THR A 10 -2.019 10.907 -0.921 1.00 0.00 C ATOM 0 H THR A 10 1.027 13.129 -2.257 1.00 0.00 H new ATOM 0 HA THR A 10 -0.173 12.523 0.233 1.00 0.00 H new ATOM 0 HB THR A 10 -0.559 11.155 -2.458 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.258 12.749 -2.712 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.832 10.703 -1.617 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.589 9.966 -0.579 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.404 11.461 -0.065 1.00 0.00 H new ATOM 107 N LYS A 11 0.378 10.089 0.773 1.00 0.00 N ATOM 108 CA LYS A 11 0.932 8.826 1.248 1.00 0.00 C ATOM 109 C LYS A 11 -0.148 7.751 1.320 1.00 0.00 C ATOM 110 O LYS A 11 -1.329 8.031 1.119 1.00 0.00 O ATOM 111 CB LYS A 11 1.573 9.013 2.625 1.00 0.00 C ATOM 112 CG LYS A 11 2.695 10.037 2.640 1.00 0.00 C ATOM 113 CD LYS A 11 4.017 9.422 2.209 1.00 0.00 C ATOM 114 CE LYS A 11 5.158 10.421 2.319 1.00 0.00 C ATOM 115 NZ LYS A 11 6.474 9.794 2.013 1.00 0.00 N ATOM 0 H LYS A 11 -0.426 10.423 1.305 1.00 0.00 H new ATOM 0 HA LYS A 11 1.695 8.503 0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.805 9.318 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.963 8.055 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.443 10.864 1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.796 10.453 3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.233 8.551 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.938 9.070 1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.982 11.250 1.634 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.180 10.839 3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.226 10.507 2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.653 9.019 2.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.462 9.418 1.043 1.00 0.00 H new ATOM 129 N ALA A 12 0.266 6.522 1.609 1.00 0.00 N ATOM 130 CA ALA A 12 -0.666 5.406 1.711 1.00 0.00 C ATOM 131 C ALA A 12 -0.079 4.274 2.547 1.00 0.00 C ATOM 132 O ALA A 12 1.102 3.948 2.424 1.00 0.00 O ATOM 133 CB ALA A 12 -1.040 4.902 0.325 1.00 0.00 C ATOM 0 H ALA A 12 1.241 6.274 1.777 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.566 5.762 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.736 4.069 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.510 5.707 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.142 4.569 -0.196 1.00 0.00 H new ATOM 139 N ARG A 13 -0.910 3.680 3.397 1.00 0.00 N ATOM 140 CA ARG A 13 -0.471 2.586 4.255 1.00 0.00 C ATOM 141 C ARG A 13 -0.928 1.241 3.697 1.00 0.00 C ATOM 142 O ARG A 13 -2.071 1.093 3.264 1.00 0.00 O ATOM 143 CB ARG A 13 -1.014 2.772 5.673 1.00 0.00 C ATOM 144 CG ARG A 13 -0.420 1.805 6.684 1.00 0.00 C ATOM 145 CD ARG A 13 0.830 2.376 7.335 1.00 0.00 C ATOM 146 NE ARG A 13 0.578 3.672 7.960 1.00 0.00 N ATOM 147 CZ ARG A 13 -0.042 3.818 9.126 1.00 0.00 C ATOM 148 NH1 ARG A 13 -0.471 2.753 9.790 1.00 0.00 N ATOM 149 NH2 ARG A 13 -0.234 5.030 9.630 1.00 0.00 N ATOM 0 H ARG A 13 -1.890 3.938 3.510 1.00 0.00 H new ATOM 0 HA ARG A 13 0.619 2.597 4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.814 3.793 5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.097 2.649 5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.160 1.579 7.452 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.177 0.864 6.190 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.199 1.677 8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.614 2.482 6.585 1.00 0.00 H new ATOM 0 HE ARG A 13 0.895 4.511 7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.325 1.819 9.406 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.947 2.867 10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.094 5.851 9.122 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.710 5.140 10.525 1.00 0.00 H new ATOM 163 N VAL A 14 -0.027 0.264 3.710 1.00 0.00 N ATOM 164 CA VAL A 14 -0.337 -1.069 3.206 1.00 0.00 C ATOM 165 C VAL A 14 -0.999 -1.923 4.282 1.00 0.00 C ATOM 166 O VAL A 14 -0.581 -1.913 5.440 1.00 0.00 O ATOM 167 CB VAL A 14 0.928 -1.787 2.702 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.580 -3.163 2.154 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.632 -0.947 1.647 1.00 0.00 C ATOM 0 H VAL A 14 0.924 0.370 4.064 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.028 -0.940 2.373 1.00 0.00 H new ATOM 0 HB VAL A 14 1.609 -1.919 3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.487 -3.655 1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.123 -3.763 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.120 -3.058 1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.524 -1.469 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.960 -0.782 0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.917 0.013 2.077 1.00 0.00 H new ATOM 179 N MET A 15 -2.032 -2.662 3.891 1.00 0.00 N ATOM 180 CA MET A 15 -2.750 -3.524 4.823 1.00 0.00 C ATOM 181 C MET A 15 -2.328 -4.980 4.651 1.00 0.00 C ATOM 182 O MET A 15 -2.435 -5.780 5.581 1.00 0.00 O ATOM 183 CB MET A 15 -4.260 -3.390 4.614 1.00 0.00 C ATOM 184 CG MET A 15 -4.710 -1.968 4.322 1.00 0.00 C ATOM 185 SD MET A 15 -6.389 -1.640 4.890 1.00 0.00 S ATOM 186 CE MET A 15 -7.306 -1.829 3.363 1.00 0.00 C ATOM 0 H MET A 15 -2.390 -2.681 2.936 1.00 0.00 H new ATOM 0 HA MET A 15 -2.501 -3.209 5.837 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.563 -4.035 3.789 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.775 -3.749 5.505 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.025 -1.269 4.802 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.652 -1.786 3.249 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.366 -1.656 3.551 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.945 -1.107 2.630 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.166 -2.839 2.977 1.00 0.00 H new ATOM 196 N TYR A 16 -1.851 -5.316 3.458 1.00 0.00 N ATOM 197 CA TYR A 16 -1.416 -6.677 3.165 1.00 0.00 C ATOM 198 C TYR A 16 -0.294 -6.679 2.131 1.00 0.00 C ATOM 199 O TYR A 16 -0.419 -6.082 1.062 1.00 0.00 O ATOM 200 CB TYR A 16 -2.592 -7.513 2.659 1.00 0.00 C ATOM 201 CG TYR A 16 -3.856 -7.332 3.469 1.00 0.00 C ATOM 202 CD1 TYR A 16 -4.071 -8.061 4.632 1.00 0.00 C ATOM 203 CD2 TYR A 16 -4.836 -6.430 3.072 1.00 0.00 C ATOM 204 CE1 TYR A 16 -5.224 -7.899 5.374 1.00 0.00 C ATOM 205 CE2 TYR A 16 -5.992 -6.261 3.809 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.182 -6.998 4.959 1.00 0.00 C ATOM 207 OH TYR A 16 -7.332 -6.833 5.696 1.00 0.00 O ATOM 0 H TYR A 16 -1.756 -4.665 2.678 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.037 -7.117 4.087 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.795 -7.249 1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.310 -8.566 2.671 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.323 -8.767 4.961 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.691 -5.851 2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.375 -8.475 6.275 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.743 -5.555 3.486 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.902 -6.161 5.267 1.00 0.00 H new ATOM 217 N ASP A 17 0.802 -7.355 2.459 1.00 0.00 N ATOM 218 CA ASP A 17 1.947 -7.437 1.559 1.00 0.00 C ATOM 219 C ASP A 17 1.516 -7.910 0.174 1.00 0.00 C ATOM 220 O ASP A 17 1.129 -9.065 -0.007 1.00 0.00 O ATOM 221 CB ASP A 17 3.003 -8.385 2.130 1.00 0.00 C ATOM 222 CG ASP A 17 2.589 -9.840 2.033 1.00 0.00 C ATOM 223 OD1 ASP A 17 1.461 -10.165 2.460 1.00 0.00 O ATOM 224 OD2 ASP A 17 3.392 -10.653 1.531 1.00 0.00 O ATOM 0 H ASP A 17 0.922 -7.854 3.341 1.00 0.00 H new ATOM 0 HA ASP A 17 2.377 -6.440 1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.942 -8.241 1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.188 -8.132 3.174 1.00 0.00 H new ATOM 229 N PHE A 18 1.586 -7.010 -0.801 1.00 0.00 N ATOM 230 CA PHE A 18 1.201 -7.334 -2.170 1.00 0.00 C ATOM 231 C PHE A 18 2.418 -7.748 -2.993 1.00 0.00 C ATOM 232 O PHE A 18 3.062 -6.915 -3.629 1.00 0.00 O ATOM 233 CB PHE A 18 0.511 -6.136 -2.825 1.00 0.00 C ATOM 234 CG PHE A 18 0.033 -6.411 -4.223 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.817 -7.474 -4.482 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.434 -5.606 -5.277 1.00 0.00 C ATOM 237 CE1 PHE A 18 -1.259 -7.729 -5.767 1.00 0.00 C ATOM 238 CE2 PHE A 18 -0.005 -5.856 -6.563 1.00 0.00 C ATOM 239 CZ PHE A 18 -0.851 -6.920 -6.809 1.00 0.00 C ATOM 0 H PHE A 18 1.906 -6.050 -0.669 1.00 0.00 H new ATOM 0 HA PHE A 18 0.504 -8.172 -2.137 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.338 -5.836 -2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.203 -5.294 -2.845 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.138 -8.111 -3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.097 -4.774 -5.091 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.923 -8.560 -5.956 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.313 -5.220 -7.376 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.193 -7.119 -7.814 1.00 0.00 H new ATOM 249 N ALA A 19 2.726 -9.040 -2.974 1.00 0.00 N ATOM 250 CA ALA A 19 3.863 -9.566 -3.719 1.00 0.00 C ATOM 251 C ALA A 19 3.622 -9.480 -5.222 1.00 0.00 C ATOM 252 O ALA A 19 3.177 -10.443 -5.845 1.00 0.00 O ATOM 253 CB ALA A 19 4.143 -11.004 -3.309 1.00 0.00 C ATOM 0 H ALA A 19 2.204 -9.742 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 19 4.735 -8.956 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.995 -11.384 -3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.368 -11.041 -2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.267 -11.619 -3.516 1.00 0.00 H new ATOM 259 N ALA A 20 3.917 -8.319 -5.798 1.00 0.00 N ATOM 260 CA ALA A 20 3.734 -8.108 -7.229 1.00 0.00 C ATOM 261 C ALA A 20 4.125 -9.350 -8.022 1.00 0.00 C ATOM 262 O ALA A 20 5.284 -9.764 -8.011 1.00 0.00 O ATOM 263 CB ALA A 20 4.543 -6.906 -7.693 1.00 0.00 C ATOM 0 H ALA A 20 4.284 -7.510 -5.296 1.00 0.00 H new ATOM 0 HA ALA A 20 2.677 -7.912 -7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.397 -6.760 -8.763 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.212 -6.016 -7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.600 -7.079 -7.491 1.00 0.00 H new ATOM 269 N GLU A 21 3.152 -9.940 -8.708 1.00 0.00 N ATOM 270 CA GLU A 21 3.396 -11.137 -9.505 1.00 0.00 C ATOM 271 C GLU A 21 4.568 -10.924 -10.459 1.00 0.00 C ATOM 272 O GLU A 21 4.858 -9.807 -10.888 1.00 0.00 O ATOM 273 CB GLU A 21 2.142 -11.514 -10.296 1.00 0.00 C ATOM 274 CG GLU A 21 0.939 -11.820 -9.420 1.00 0.00 C ATOM 275 CD GLU A 21 0.980 -13.221 -8.841 1.00 0.00 C ATOM 276 OE1 GLU A 21 2.015 -13.586 -8.245 1.00 0.00 O ATOM 277 OE2 GLU A 21 -0.023 -13.952 -8.983 1.00 0.00 O ATOM 0 H GLU A 21 2.187 -9.609 -8.728 1.00 0.00 H new ATOM 0 HA GLU A 21 3.646 -11.952 -8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.890 -10.697 -10.972 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.361 -12.384 -10.915 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.893 -11.096 -8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.028 -11.700 -10.006 1.00 0.00 H new ATOM 284 N PRO A 22 5.259 -12.022 -10.800 1.00 0.00 N ATOM 285 CA PRO A 22 6.410 -11.983 -11.707 1.00 0.00 C ATOM 286 C PRO A 22 6.006 -11.672 -13.144 1.00 0.00 C ATOM 287 O PRO A 22 5.165 -12.357 -13.725 1.00 0.00 O ATOM 288 CB PRO A 22 6.987 -13.397 -11.609 1.00 0.00 C ATOM 289 CG PRO A 22 5.834 -14.250 -11.204 1.00 0.00 C ATOM 290 CD PRO A 22 4.969 -13.386 -10.328 1.00 0.00 C ATOM 0 HA PRO A 22 7.117 -11.199 -11.434 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.404 -13.721 -12.563 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.792 -13.446 -10.876 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.281 -14.599 -12.076 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.173 -15.135 -10.666 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.913 -13.633 -10.438 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.217 -13.507 -9.274 1.00 0.00 H new ATOM 298 N GLY A 23 6.611 -10.633 -13.713 1.00 0.00 N ATOM 299 CA GLY A 23 6.300 -10.249 -15.077 1.00 0.00 C ATOM 300 C GLY A 23 4.984 -9.506 -15.186 1.00 0.00 C ATOM 301 O GLY A 23 4.059 -9.963 -15.855 1.00 0.00 O ATOM 0 H GLY A 23 7.311 -10.051 -13.253 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.101 -9.621 -15.466 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.263 -11.141 -15.702 1.00 0.00 H new ATOM 305 N ASN A 24 4.899 -8.356 -14.524 1.00 0.00 N ATOM 306 CA ASN A 24 3.685 -7.548 -14.547 1.00 0.00 C ATOM 307 C ASN A 24 3.978 -6.115 -14.115 1.00 0.00 C ATOM 308 O ASN A 24 4.946 -5.856 -13.402 1.00 0.00 O ATOM 309 CB ASN A 24 2.623 -8.161 -13.633 1.00 0.00 C ATOM 310 CG ASN A 24 1.740 -9.158 -14.359 1.00 0.00 C ATOM 311 OD1 ASN A 24 0.935 -8.784 -15.213 1.00 0.00 O ATOM 312 ND2 ASN A 24 1.887 -10.434 -14.022 1.00 0.00 N ATOM 0 H ASN A 24 5.656 -7.963 -13.965 1.00 0.00 H new ATOM 0 HA ASN A 24 3.308 -7.531 -15.570 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.112 -8.656 -12.794 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.003 -7.367 -13.217 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.320 -11.150 -14.476 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.567 -10.698 -13.309 1.00 0.00 H new ATOM 319 N ASN A 25 3.133 -5.187 -14.553 1.00 0.00 N ATOM 320 CA ASN A 25 3.300 -3.779 -14.212 1.00 0.00 C ATOM 321 C ASN A 25 2.809 -3.500 -12.795 1.00 0.00 C ATOM 322 O ASN A 25 2.003 -2.597 -12.573 1.00 0.00 O ATOM 323 CB ASN A 25 2.543 -2.898 -15.208 1.00 0.00 C ATOM 324 CG ASN A 25 3.162 -2.928 -16.592 1.00 0.00 C ATOM 325 OD1 ASN A 25 4.383 -2.988 -16.738 1.00 0.00 O ATOM 326 ND2 ASN A 25 2.319 -2.885 -17.618 1.00 0.00 N ATOM 0 H ASN A 25 2.326 -5.385 -15.145 1.00 0.00 H new ATOM 0 HA ASN A 25 4.363 -3.543 -14.262 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.507 -3.231 -15.269 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.527 -1.871 -14.842 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.677 -2.901 -18.573 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.314 -2.836 -17.451 1.00 0.00 H new ATOM 333 N GLU A 26 3.302 -4.282 -11.839 1.00 0.00 N ATOM 334 CA GLU A 26 2.912 -4.119 -10.443 1.00 0.00 C ATOM 335 C GLU A 26 4.141 -4.014 -9.545 1.00 0.00 C ATOM 336 O GLU A 26 5.177 -4.624 -9.815 1.00 0.00 O ATOM 337 CB GLU A 26 2.038 -5.292 -9.994 1.00 0.00 C ATOM 338 CG GLU A 26 0.700 -5.362 -10.711 1.00 0.00 C ATOM 339 CD GLU A 26 -0.281 -6.293 -10.025 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.027 -7.498 -9.910 1.00 0.00 O ATOM 341 OE2 GLU A 26 -1.357 -5.817 -9.605 1.00 0.00 O ATOM 0 H GLU A 26 3.971 -5.034 -12.005 1.00 0.00 H new ATOM 0 HA GLU A 26 2.340 -3.195 -10.357 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.580 -6.223 -10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.862 -5.214 -8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.269 -4.362 -10.766 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.858 -5.698 -11.736 1.00 0.00 H new ATOM 348 N LEU A 27 4.019 -3.237 -8.474 1.00 0.00 N ATOM 349 CA LEU A 27 5.120 -3.050 -7.535 1.00 0.00 C ATOM 350 C LEU A 27 4.906 -3.881 -6.274 1.00 0.00 C ATOM 351 O LEU A 27 3.774 -4.078 -5.831 1.00 0.00 O ATOM 352 CB LEU A 27 5.257 -1.572 -7.167 1.00 0.00 C ATOM 353 CG LEU A 27 6.512 -1.190 -6.381 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.732 -1.191 -7.288 1.00 0.00 C ATOM 355 CD2 LEU A 27 6.335 0.171 -5.723 1.00 0.00 C ATOM 0 H LEU A 27 3.169 -2.727 -8.234 1.00 0.00 H new ATOM 0 HA LEU A 27 6.038 -3.385 -8.018 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.235 -0.986 -8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.384 -1.281 -6.583 1.00 0.00 H new ATOM 0 HG LEU A 27 6.667 -1.933 -5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.615 -0.917 -6.711 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.870 -2.186 -7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.587 -0.471 -8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.238 0.427 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.154 0.925 -6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.486 0.137 -5.040 1.00 0.00 H new ATOM 367 N THR A 28 6.001 -4.367 -5.699 1.00 0.00 N ATOM 368 CA THR A 28 5.934 -5.176 -4.488 1.00 0.00 C ATOM 369 C THR A 28 5.999 -4.304 -3.240 1.00 0.00 C ATOM 370 O THR A 28 6.865 -3.438 -3.119 1.00 0.00 O ATOM 371 CB THR A 28 7.076 -6.209 -4.439 1.00 0.00 C ATOM 372 OG1 THR A 28 7.001 -7.077 -5.575 1.00 0.00 O ATOM 373 CG2 THR A 28 7.008 -7.031 -3.161 1.00 0.00 C ATOM 0 H THR A 28 6.946 -4.215 -6.052 1.00 0.00 H new ATOM 0 HA THR A 28 4.979 -5.701 -4.511 1.00 0.00 H new ATOM 0 HB THR A 28 8.024 -5.671 -4.456 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.731 -7.729 -5.537 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.824 -7.753 -3.149 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.095 -6.370 -2.298 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.055 -7.559 -3.118 1.00 0.00 H new ATOM 381 N VAL A 29 5.077 -4.539 -2.311 1.00 0.00 N ATOM 382 CA VAL A 29 5.030 -3.775 -1.070 1.00 0.00 C ATOM 383 C VAL A 29 4.734 -4.680 0.121 1.00 0.00 C ATOM 384 O VAL A 29 4.370 -5.845 -0.045 1.00 0.00 O ATOM 385 CB VAL A 29 3.966 -2.664 -1.134 1.00 0.00 C ATOM 386 CG1 VAL A 29 4.393 -1.570 -2.100 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.616 -3.242 -1.533 1.00 0.00 C ATOM 0 H VAL A 29 4.353 -5.252 -2.395 1.00 0.00 H new ATOM 0 HA VAL A 29 6.012 -3.319 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 29 3.868 -2.222 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.628 -0.794 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.336 -1.137 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.521 -1.994 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.876 -2.443 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.697 -3.712 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.307 -3.986 -0.799 1.00 0.00 H new ATOM 397 N THR A 30 4.892 -4.136 1.324 1.00 0.00 N ATOM 398 CA THR A 30 4.643 -4.894 2.544 1.00 0.00 C ATOM 399 C THR A 30 3.644 -4.174 3.443 1.00 0.00 C ATOM 400 O THR A 30 3.571 -2.946 3.445 1.00 0.00 O ATOM 401 CB THR A 30 5.944 -5.136 3.331 1.00 0.00 C ATOM 402 OG1 THR A 30 5.671 -5.915 4.501 1.00 0.00 O ATOM 403 CG2 THR A 30 6.587 -3.817 3.732 1.00 0.00 C ATOM 0 H THR A 30 5.191 -3.173 1.479 1.00 0.00 H new ATOM 0 HA THR A 30 4.228 -5.855 2.240 1.00 0.00 H new ATOM 0 HB THR A 30 6.637 -5.679 2.687 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.504 -6.066 4.995 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.504 -4.013 4.287 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.820 -3.239 2.838 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.898 -3.252 4.359 1.00 0.00 H new ATOM 411 N GLU A 31 2.879 -4.947 4.207 1.00 0.00 N ATOM 412 CA GLU A 31 1.884 -4.381 5.111 1.00 0.00 C ATOM 413 C GLU A 31 2.543 -3.466 6.140 1.00 0.00 C ATOM 414 O GLU A 31 3.401 -3.895 6.909 1.00 0.00 O ATOM 415 CB GLU A 31 1.116 -5.497 5.823 1.00 0.00 C ATOM 416 CG GLU A 31 0.197 -4.996 6.924 1.00 0.00 C ATOM 417 CD GLU A 31 -0.292 -6.111 7.828 1.00 0.00 C ATOM 418 OE1 GLU A 31 -0.465 -7.244 7.333 1.00 0.00 O ATOM 419 OE2 GLU A 31 -0.502 -5.850 9.031 1.00 0.00 O ATOM 0 H GLU A 31 2.929 -5.966 4.218 1.00 0.00 H new ATOM 0 HA GLU A 31 1.186 -3.790 4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.525 -6.045 5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.829 -6.203 6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.724 -4.253 7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.661 -4.494 6.476 1.00 0.00 H new ATOM 426 N GLY A 32 2.133 -2.201 6.145 1.00 0.00 N ATOM 427 CA GLY A 32 2.694 -1.244 7.082 1.00 0.00 C ATOM 428 C GLY A 32 3.731 -0.344 6.440 1.00 0.00 C ATOM 429 O GLY A 32 4.122 0.671 7.015 1.00 0.00 O ATOM 0 H GLY A 32 1.423 -1.822 5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.892 -0.632 7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.148 -1.780 7.916 1.00 0.00 H new ATOM 433 N GLU A 33 4.180 -0.719 5.246 1.00 0.00 N ATOM 434 CA GLU A 33 5.181 0.061 4.528 1.00 0.00 C ATOM 435 C GLU A 33 4.544 1.271 3.850 1.00 0.00 C ATOM 436 O GLU A 33 3.481 1.165 3.239 1.00 0.00 O ATOM 437 CB GLU A 33 5.887 -0.809 3.486 1.00 0.00 C ATOM 438 CG GLU A 33 6.600 -0.009 2.408 1.00 0.00 C ATOM 439 CD GLU A 33 7.667 -0.816 1.694 1.00 0.00 C ATOM 440 OE1 GLU A 33 8.362 -1.608 2.365 1.00 0.00 O ATOM 441 OE2 GLU A 33 7.808 -0.655 0.464 1.00 0.00 O ATOM 0 H GLU A 33 3.867 -1.557 4.756 1.00 0.00 H new ATOM 0 HA GLU A 33 5.915 0.416 5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.611 -1.450 3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.154 -1.465 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.870 0.345 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.056 0.873 2.857 1.00 0.00 H new ATOM 448 N ILE A 34 5.202 2.420 3.963 1.00 0.00 N ATOM 449 CA ILE A 34 4.701 3.649 3.361 1.00 0.00 C ATOM 450 C ILE A 34 5.265 3.843 1.958 1.00 0.00 C ATOM 451 O ILE A 34 6.432 3.548 1.701 1.00 0.00 O ATOM 452 CB ILE A 34 5.053 4.880 4.218 1.00 0.00 C ATOM 453 CG1 ILE A 34 4.422 4.758 5.607 1.00 0.00 C ATOM 454 CG2 ILE A 34 4.589 6.155 3.530 1.00 0.00 C ATOM 455 CD1 ILE A 34 2.911 4.701 5.581 1.00 0.00 C ATOM 0 H ILE A 34 6.083 2.525 4.466 1.00 0.00 H new ATOM 0 HA ILE A 34 3.617 3.554 3.305 1.00 0.00 H new ATOM 0 HB ILE A 34 6.136 4.926 4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.803 3.860 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.735 5.607 6.215 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.845 7.016 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.080 6.245 2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.509 6.119 3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.533 4.615 6.600 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.520 5.610 5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.589 3.837 5.000 1.00 0.00 H new ATOM 467 N ILE A 35 4.429 4.344 1.054 1.00 0.00 N ATOM 468 CA ILE A 35 4.845 4.580 -0.322 1.00 0.00 C ATOM 469 C ILE A 35 4.339 5.928 -0.826 1.00 0.00 C ATOM 470 O ILE A 35 3.487 6.558 -0.198 1.00 0.00 O ATOM 471 CB ILE A 35 4.339 3.471 -1.262 1.00 0.00 C ATOM 472 CG1 ILE A 35 2.818 3.339 -1.159 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.014 2.148 -0.932 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.171 2.803 -2.417 1.00 0.00 C ATOM 0 H ILE A 35 3.460 4.594 1.251 1.00 0.00 H new ATOM 0 HA ILE A 35 5.935 4.579 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 35 4.593 3.741 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.574 2.680 -0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.392 4.315 -0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.646 1.374 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.093 2.250 -1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.788 1.871 0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.093 2.736 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.384 3.473 -3.250 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.569 1.813 -2.638 1.00 0.00 H new ATOM 486 N THR A 36 4.867 6.365 -1.965 1.00 0.00 N ATOM 487 CA THR A 36 4.469 7.637 -2.554 1.00 0.00 C ATOM 488 C THR A 36 3.409 7.436 -3.631 1.00 0.00 C ATOM 489 O THR A 36 3.619 6.697 -4.593 1.00 0.00 O ATOM 490 CB THR A 36 5.674 8.374 -3.168 1.00 0.00 C ATOM 491 OG1 THR A 36 6.793 8.311 -2.276 1.00 0.00 O ATOM 492 CG2 THR A 36 5.330 9.827 -3.456 1.00 0.00 C ATOM 0 H THR A 36 5.572 5.856 -2.498 1.00 0.00 H new ATOM 0 HA THR A 36 4.055 8.242 -1.748 1.00 0.00 H new ATOM 0 HB THR A 36 5.931 7.885 -4.108 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.556 8.780 -2.674 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.196 10.327 -3.889 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.497 9.872 -4.158 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.050 10.325 -2.528 1.00 0.00 H new ATOM 500 N VAL A 37 2.268 8.098 -3.463 1.00 0.00 N ATOM 501 CA VAL A 37 1.175 7.994 -4.422 1.00 0.00 C ATOM 502 C VAL A 37 1.262 9.092 -5.476 1.00 0.00 C ATOM 503 O VAL A 37 1.265 10.280 -5.153 1.00 0.00 O ATOM 504 CB VAL A 37 -0.195 8.076 -3.723 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.320 8.009 -4.744 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.333 6.966 -2.692 1.00 0.00 C ATOM 0 H VAL A 37 2.077 8.712 -2.671 1.00 0.00 H new ATOM 0 HA VAL A 37 1.270 7.022 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.263 9.033 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.280 8.068 -4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.229 8.842 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.259 7.069 -5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.307 7.039 -2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.244 5.998 -3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.453 7.065 -1.943 1.00 0.00 H new ATOM 516 N THR A 38 1.333 8.687 -6.741 1.00 0.00 N ATOM 517 CA THR A 38 1.421 9.635 -7.843 1.00 0.00 C ATOM 518 C THR A 38 0.103 9.717 -8.605 1.00 0.00 C ATOM 519 O THR A 38 -0.396 10.805 -8.885 1.00 0.00 O ATOM 520 CB THR A 38 2.545 9.254 -8.825 1.00 0.00 C ATOM 521 OG1 THR A 38 2.431 7.873 -9.188 1.00 0.00 O ATOM 522 CG2 THR A 38 3.912 9.510 -8.208 1.00 0.00 C ATOM 0 H THR A 38 1.331 7.708 -7.027 1.00 0.00 H new ATOM 0 HA THR A 38 1.646 10.607 -7.405 1.00 0.00 H new ATOM 0 HB THR A 38 2.444 9.873 -9.716 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.148 7.639 -9.814 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.690 9.234 -8.920 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.007 10.567 -7.959 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.020 8.913 -7.302 1.00 0.00 H new ATOM 530 N ASN A 39 -0.456 8.557 -8.937 1.00 0.00 N ATOM 531 CA ASN A 39 -1.717 8.498 -9.666 1.00 0.00 C ATOM 532 C ASN A 39 -2.725 7.613 -8.939 1.00 0.00 C ATOM 533 O ASN A 39 -2.921 6.445 -9.278 1.00 0.00 O ATOM 534 CB ASN A 39 -1.486 7.969 -11.083 1.00 0.00 C ATOM 535 CG ASN A 39 -2.576 8.400 -12.046 1.00 0.00 C ATOM 536 OD1 ASN A 39 -3.742 7.774 -11.938 1.00 0.00 O flip ATOM 537 ND2 ASN A 39 -2.372 9.285 -12.877 1.00 0.00 N flip ATOM 0 H ASN A 39 -0.055 7.646 -8.713 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.122 9.508 -9.724 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.522 8.323 -11.448 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.437 6.880 -11.058 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.460 9.739 -12.925 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.115 9.564 -13.518 1.00 0.00 H new ATOM 544 N PRO A 40 -3.380 8.180 -7.916 1.00 0.00 N ATOM 545 CA PRO A 40 -4.380 7.461 -7.120 1.00 0.00 C ATOM 546 C PRO A 40 -5.655 7.179 -7.908 1.00 0.00 C ATOM 547 O PRO A 40 -6.470 6.348 -7.511 1.00 0.00 O ATOM 548 CB PRO A 40 -4.668 8.420 -5.962 1.00 0.00 C ATOM 549 CG PRO A 40 -4.336 9.770 -6.497 1.00 0.00 C ATOM 550 CD PRO A 40 -3.197 9.567 -7.457 1.00 0.00 C ATOM 0 HA PRO A 40 -4.021 6.482 -6.802 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.711 8.363 -5.651 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.061 8.180 -5.089 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.196 10.213 -7.000 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.052 10.449 -5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.240 10.273 -8.286 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.232 9.705 -6.970 1.00 0.00 H new ATOM 558 N ASN A 41 -5.820 7.877 -9.027 1.00 0.00 N ATOM 559 CA ASN A 41 -6.996 7.701 -9.871 1.00 0.00 C ATOM 560 C ASN A 41 -6.611 7.111 -11.225 1.00 0.00 C ATOM 561 O ASN A 41 -6.686 7.785 -12.252 1.00 0.00 O ATOM 562 CB ASN A 41 -7.711 9.039 -10.070 1.00 0.00 C ATOM 563 CG ASN A 41 -6.805 10.094 -10.674 1.00 0.00 C ATOM 564 OD1 ASN A 41 -6.767 10.273 -11.892 1.00 0.00 O ATOM 565 ND2 ASN A 41 -6.070 10.800 -9.823 1.00 0.00 N ATOM 0 H ASN A 41 -5.154 8.570 -9.370 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.671 7.006 -9.371 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.576 8.893 -10.717 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.087 9.393 -9.110 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.442 11.525 -10.171 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.133 10.618 -8.821 1.00 0.00 H new ATOM 572 N VAL A 42 -6.199 5.847 -11.218 1.00 0.00 N ATOM 573 CA VAL A 42 -5.804 5.165 -12.444 1.00 0.00 C ATOM 574 C VAL A 42 -7.010 4.903 -13.340 1.00 0.00 C ATOM 575 O VAL A 42 -6.994 5.220 -14.528 1.00 0.00 O ATOM 576 CB VAL A 42 -5.103 3.828 -12.142 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.536 3.221 -13.416 1.00 0.00 C ATOM 578 CG2 VAL A 42 -4.010 4.023 -11.102 1.00 0.00 C ATOM 0 H VAL A 42 -6.130 5.275 -10.376 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.106 5.823 -12.962 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.840 3.135 -11.736 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.045 2.277 -13.182 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.344 3.043 -14.125 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.812 3.907 -13.855 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.525 3.068 -10.900 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.273 4.732 -11.478 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.448 4.409 -10.182 1.00 0.00 H new ATOM 588 N GLY A 43 -8.056 4.322 -12.760 1.00 0.00 N ATOM 589 CA GLY A 43 -9.256 4.027 -13.520 1.00 0.00 C ATOM 590 C GLY A 43 -9.782 2.630 -13.256 1.00 0.00 C ATOM 591 O GLY A 43 -9.245 1.650 -13.770 1.00 0.00 O ATOM 0 H GLY A 43 -8.093 4.051 -11.777 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.028 4.755 -13.271 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.045 4.137 -14.584 1.00 0.00 H new ATOM 595 N GLY A 44 -10.835 2.538 -12.449 1.00 0.00 N ATOM 596 CA GLY A 44 -11.414 1.246 -12.130 1.00 0.00 C ATOM 597 C GLY A 44 -11.373 0.943 -10.645 1.00 0.00 C ATOM 598 O GLY A 44 -12.298 0.342 -10.101 1.00 0.00 O ATOM 0 H GLY A 44 -11.297 3.335 -12.011 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.448 1.219 -12.475 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.877 0.467 -12.672 1.00 0.00 H new ATOM 602 N GLY A 45 -10.295 1.359 -9.987 1.00 0.00 N ATOM 603 CA GLY A 45 -10.156 1.118 -8.563 1.00 0.00 C ATOM 604 C GLY A 45 -8.733 0.775 -8.169 1.00 0.00 C ATOM 605 O GLY A 45 -8.510 0.001 -7.238 1.00 0.00 O ATOM 0 H GLY A 45 -9.516 1.859 -10.415 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.478 2.003 -8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.817 0.303 -8.269 1.00 0.00 H new ATOM 609 N TRP A 46 -7.770 1.350 -8.879 1.00 0.00 N ATOM 610 CA TRP A 46 -6.361 1.099 -8.598 1.00 0.00 C ATOM 611 C TRP A 46 -5.611 2.406 -8.363 1.00 0.00 C ATOM 612 O TRP A 46 -6.155 3.492 -8.573 1.00 0.00 O ATOM 613 CB TRP A 46 -5.719 0.330 -9.754 1.00 0.00 C ATOM 614 CG TRP A 46 -6.317 -1.027 -9.969 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.608 -1.308 -10.314 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.648 -2.288 -9.851 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.782 -2.668 -10.417 1.00 0.00 N ATOM 618 CE2 TRP A 46 -6.594 -3.290 -10.139 1.00 0.00 C ATOM 619 CE3 TRP A 46 -4.341 -2.666 -9.532 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -6.274 -4.645 -10.116 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -4.025 -4.011 -9.509 1.00 0.00 C ATOM 622 CH2 TRP A 46 -4.987 -4.988 -9.800 1.00 0.00 C ATOM 0 H TRP A 46 -7.938 1.993 -9.653 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.299 0.498 -7.691 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.820 0.913 -10.669 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.652 0.222 -9.561 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.379 -0.570 -10.481 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.654 -3.137 -10.661 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.592 -1.921 -9.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.015 -5.398 -10.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.018 -4.315 -9.262 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.708 -6.031 -9.774 1.00 0.00 H new ATOM 633 N LEU A 47 -4.361 2.296 -7.928 1.00 0.00 N ATOM 634 CA LEU A 47 -3.536 3.470 -7.665 1.00 0.00 C ATOM 635 C LEU A 47 -2.082 3.210 -8.043 1.00 0.00 C ATOM 636 O LEU A 47 -1.580 2.098 -7.886 1.00 0.00 O ATOM 637 CB LEU A 47 -3.629 3.863 -6.189 1.00 0.00 C ATOM 638 CG LEU A 47 -2.974 2.902 -5.197 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.473 3.140 -5.135 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.597 3.054 -3.816 1.00 0.00 C ATOM 0 H LEU A 47 -3.896 1.406 -7.750 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.910 4.290 -8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.175 4.846 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.682 3.963 -5.926 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.146 1.882 -5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.024 2.447 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.038 2.980 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.280 4.164 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.118 2.362 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.456 4.076 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.663 2.833 -3.871 1.00 0.00 H new ATOM 652 N GLU A 48 -1.411 4.244 -8.540 1.00 0.00 N ATOM 653 CA GLU A 48 -0.013 4.127 -8.938 1.00 0.00 C ATOM 654 C GLU A 48 0.908 4.720 -7.876 1.00 0.00 C ATOM 655 O GLU A 48 0.822 5.904 -7.555 1.00 0.00 O ATOM 656 CB GLU A 48 0.219 4.828 -10.278 1.00 0.00 C ATOM 657 CG GLU A 48 1.351 4.226 -11.093 1.00 0.00 C ATOM 658 CD GLU A 48 1.365 4.719 -12.527 1.00 0.00 C ATOM 659 OE1 GLU A 48 1.111 5.922 -12.744 1.00 0.00 O ATOM 660 OE2 GLU A 48 1.630 3.900 -13.432 1.00 0.00 O ATOM 0 H GLU A 48 -1.812 5.172 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 48 0.219 3.067 -9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.700 4.788 -10.863 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.434 5.881 -10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.303 4.469 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.260 3.140 -11.087 1.00 0.00 H new ATOM 667 N GLY A 49 1.789 3.885 -7.332 1.00 0.00 N ATOM 668 CA GLY A 49 2.713 4.344 -6.311 1.00 0.00 C ATOM 669 C GLY A 49 4.160 4.079 -6.677 1.00 0.00 C ATOM 670 O GLY A 49 4.455 3.180 -7.465 1.00 0.00 O ATOM 0 H GLY A 49 1.879 2.900 -7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.572 5.413 -6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.483 3.848 -5.368 1.00 0.00 H new ATOM 674 N LYS A 50 5.066 4.865 -6.105 1.00 0.00 N ATOM 675 CA LYS A 50 6.491 4.712 -6.375 1.00 0.00 C ATOM 676 C LYS A 50 7.273 4.522 -5.079 1.00 0.00 C ATOM 677 O LYS A 50 7.042 5.223 -4.095 1.00 0.00 O ATOM 678 CB LYS A 50 7.022 5.934 -7.129 1.00 0.00 C ATOM 679 CG LYS A 50 8.534 5.951 -7.271 1.00 0.00 C ATOM 680 CD LYS A 50 9.034 7.305 -7.746 1.00 0.00 C ATOM 681 CE LYS A 50 9.083 7.379 -9.264 1.00 0.00 C ATOM 682 NZ LYS A 50 10.130 8.326 -9.740 1.00 0.00 N ATOM 0 H LYS A 50 4.839 5.614 -5.451 1.00 0.00 H new ATOM 0 HA LYS A 50 6.625 3.824 -6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.572 5.962 -8.121 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.704 6.838 -6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.993 5.708 -6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.843 5.180 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.382 8.090 -7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.028 7.490 -7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.279 6.387 -9.670 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.110 7.692 -9.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.131 8.348 -10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.929 9.278 -9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.062 8.014 -9.399 1.00 0.00 H new ATOM 696 N ASN A 51 8.200 3.569 -5.088 1.00 0.00 N ATOM 697 CA ASN A 51 9.017 3.288 -3.913 1.00 0.00 C ATOM 698 C ASN A 51 10.267 4.162 -3.897 1.00 0.00 C ATOM 699 O ASN A 51 10.582 4.829 -4.881 1.00 0.00 O ATOM 700 CB ASN A 51 9.413 1.810 -3.884 1.00 0.00 C ATOM 701 CG ASN A 51 10.030 1.351 -5.191 1.00 0.00 C ATOM 702 OD1 ASN A 51 10.469 2.166 -6.003 1.00 0.00 O ATOM 703 ND2 ASN A 51 10.065 0.041 -5.401 1.00 0.00 N ATOM 0 H ASN A 51 8.404 2.979 -5.895 1.00 0.00 H new ATOM 0 HA ASN A 51 8.425 3.517 -3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.121 1.642 -3.072 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.532 1.205 -3.669 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.467 -0.327 -6.263 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.690 -0.598 -4.700 1.00 0.00 H new ATOM 710 N ASN A 52 10.975 4.152 -2.773 1.00 0.00 N ATOM 711 CA ASN A 52 12.192 4.943 -2.628 1.00 0.00 C ATOM 712 C ASN A 52 13.187 4.618 -3.737 1.00 0.00 C ATOM 713 O ASN A 52 13.899 5.496 -4.226 1.00 0.00 O ATOM 714 CB ASN A 52 12.832 4.689 -1.262 1.00 0.00 C ATOM 715 CG ASN A 52 12.128 5.437 -0.146 1.00 0.00 C ATOM 716 OD1 ASN A 52 10.902 5.408 -0.041 1.00 0.00 O ATOM 717 ND2 ASN A 52 12.904 6.111 0.695 1.00 0.00 N ATOM 0 H ASN A 52 10.727 3.605 -1.949 1.00 0.00 H new ATOM 0 HA ASN A 52 11.922 5.996 -2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.813 3.620 -1.048 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.879 4.989 -1.293 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.488 6.633 1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.916 6.107 0.570 1.00 0.00 H new ATOM 724 N LYS A 53 13.232 3.350 -4.131 1.00 0.00 N ATOM 725 CA LYS A 53 14.139 2.906 -5.184 1.00 0.00 C ATOM 726 C LYS A 53 13.950 3.737 -6.449 1.00 0.00 C ATOM 727 O LYS A 53 14.888 3.931 -7.221 1.00 0.00 O ATOM 728 CB LYS A 53 13.908 1.426 -5.493 1.00 0.00 C ATOM 729 CG LYS A 53 14.293 0.498 -4.354 1.00 0.00 C ATOM 730 CD LYS A 53 13.669 -0.877 -4.518 1.00 0.00 C ATOM 731 CE LYS A 53 13.485 -1.570 -3.177 1.00 0.00 C ATOM 732 NZ LYS A 53 13.349 -3.045 -3.329 1.00 0.00 N ATOM 0 H LYS A 53 12.650 2.611 -3.737 1.00 0.00 H new ATOM 0 HA LYS A 53 15.161 3.041 -4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.856 1.274 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.481 1.155 -6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.378 0.403 -4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.974 0.932 -3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.704 -0.782 -5.015 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.300 -1.490 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.337 -1.348 -2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.599 -1.173 -2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.225 -3.481 -2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.522 -3.258 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.205 -3.428 -3.779 1.00 0.00 H new ATOM 746 N GLY A 54 12.731 4.226 -6.655 1.00 0.00 N ATOM 747 CA GLY A 54 12.443 5.031 -7.827 1.00 0.00 C ATOM 748 C GLY A 54 11.583 4.297 -8.837 1.00 0.00 C ATOM 749 O GLY A 54 11.292 4.823 -9.911 1.00 0.00 O ATOM 0 H GLY A 54 11.938 4.079 -6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.937 5.946 -7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.379 5.328 -8.299 1.00 0.00 H new ATOM 753 N GLU A 55 11.177 3.079 -8.493 1.00 0.00 N ATOM 754 CA GLU A 55 10.347 2.272 -9.379 1.00 0.00 C ATOM 755 C GLU A 55 8.867 2.574 -9.164 1.00 0.00 C ATOM 756 O GLU A 55 8.466 3.026 -8.092 1.00 0.00 O ATOM 757 CB GLU A 55 10.615 0.783 -9.149 1.00 0.00 C ATOM 758 CG GLU A 55 11.868 0.275 -9.841 1.00 0.00 C ATOM 759 CD GLU A 55 11.880 -1.233 -9.993 1.00 0.00 C ATOM 760 OE1 GLU A 55 11.980 -1.934 -8.965 1.00 0.00 O ATOM 761 OE2 GLU A 55 11.789 -1.713 -11.143 1.00 0.00 O ATOM 0 H GLU A 55 11.409 2.630 -7.607 1.00 0.00 H new ATOM 0 HA GLU A 55 10.605 2.525 -10.407 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.702 0.600 -8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.758 0.210 -9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.947 0.736 -10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.744 0.586 -9.272 1.00 0.00 H new ATOM 768 N GLN A 56 8.062 2.321 -10.191 1.00 0.00 N ATOM 769 CA GLN A 56 6.627 2.567 -10.114 1.00 0.00 C ATOM 770 C GLN A 56 5.840 1.313 -10.483 1.00 0.00 C ATOM 771 O GLN A 56 6.338 0.441 -11.193 1.00 0.00 O ATOM 772 CB GLN A 56 6.236 3.720 -11.040 1.00 0.00 C ATOM 773 CG GLN A 56 6.469 5.094 -10.433 1.00 0.00 C ATOM 774 CD GLN A 56 6.773 6.149 -11.477 1.00 0.00 C ATOM 775 OE1 GLN A 56 7.922 6.559 -11.646 1.00 0.00 O ATOM 776 NE2 GLN A 56 5.742 6.596 -12.186 1.00 0.00 N ATOM 0 H GLN A 56 8.379 1.946 -11.085 1.00 0.00 H new ATOM 0 HA GLN A 56 6.384 2.837 -9.086 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.805 3.640 -11.966 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.183 3.622 -11.303 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.586 5.392 -9.868 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.297 5.039 -9.726 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.806 6.229 -12.013 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.886 7.307 -12.903 1.00 0.00 H new ATOM 785 N GLY A 57 4.606 1.230 -9.994 1.00 0.00 N ATOM 786 CA GLY A 57 3.770 0.080 -10.282 1.00 0.00 C ATOM 787 C GLY A 57 2.329 0.290 -9.861 1.00 0.00 C ATOM 788 O GLY A 57 2.044 1.102 -8.979 1.00 0.00 O ATOM 0 H GLY A 57 4.171 1.939 -9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.806 -0.133 -11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.171 -0.794 -9.769 1.00 0.00 H new ATOM 792 N LEU A 58 1.417 -0.441 -10.493 1.00 0.00 N ATOM 793 CA LEU A 58 -0.004 -0.329 -10.180 1.00 0.00 C ATOM 794 C LEU A 58 -0.363 -1.184 -8.969 1.00 0.00 C ATOM 795 O LEU A 58 0.063 -2.334 -8.859 1.00 0.00 O ATOM 796 CB LEU A 58 -0.846 -0.751 -11.385 1.00 0.00 C ATOM 797 CG LEU A 58 -0.991 0.286 -12.499 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.539 -0.361 -13.762 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.889 1.429 -12.050 1.00 0.00 C ATOM 0 H LEU A 58 1.636 -1.117 -11.225 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.218 0.713 -9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.408 -1.653 -11.811 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.842 -1.017 -11.032 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.004 0.692 -12.722 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.636 0.392 -14.544 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.858 -1.144 -14.095 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.517 -0.795 -13.554 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.981 2.158 -12.856 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.876 1.040 -11.799 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.455 1.910 -11.173 1.00 0.00 H new ATOM 811 N VAL A 59 -1.152 -0.615 -8.063 1.00 0.00 N ATOM 812 CA VAL A 59 -1.572 -1.326 -6.861 1.00 0.00 C ATOM 813 C VAL A 59 -3.058 -1.120 -6.592 1.00 0.00 C ATOM 814 O VAL A 59 -3.595 -0.022 -6.742 1.00 0.00 O ATOM 815 CB VAL A 59 -0.770 -0.868 -5.629 1.00 0.00 C ATOM 816 CG1 VAL A 59 -1.281 -1.556 -4.372 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.714 -1.137 -5.828 1.00 0.00 C ATOM 0 H VAL A 59 -1.513 0.336 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.381 -2.385 -7.036 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.908 0.206 -5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.702 -1.220 -3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.331 -1.307 -4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.176 -2.636 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.265 -0.807 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.873 -2.205 -5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.068 -0.592 -6.703 1.00 0.00 H new ATOM 827 N PRO A 60 -3.741 -2.200 -6.184 1.00 0.00 N ATOM 828 CA PRO A 60 -5.176 -2.163 -5.885 1.00 0.00 C ATOM 829 C PRO A 60 -5.483 -1.370 -4.619 1.00 0.00 C ATOM 830 O PRO A 60 -4.894 -1.610 -3.564 1.00 0.00 O ATOM 831 CB PRO A 60 -5.536 -3.638 -5.692 1.00 0.00 C ATOM 832 CG PRO A 60 -4.261 -4.288 -5.277 1.00 0.00 C ATOM 833 CD PRO A 60 -3.165 -3.541 -5.985 1.00 0.00 C ATOM 0 HA PRO A 60 -5.745 -1.671 -6.674 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.308 -3.761 -4.933 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.922 -4.075 -6.613 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.132 -4.238 -4.196 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.254 -5.343 -5.551 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.254 -3.503 -5.388 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.905 -4.012 -6.933 1.00 0.00 H new ATOM 841 N THR A 61 -6.410 -0.423 -4.730 1.00 0.00 N ATOM 842 CA THR A 61 -6.795 0.405 -3.594 1.00 0.00 C ATOM 843 C THR A 61 -7.426 -0.434 -2.490 1.00 0.00 C ATOM 844 O THR A 61 -7.671 0.056 -1.387 1.00 0.00 O ATOM 845 CB THR A 61 -7.785 1.509 -4.014 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.993 0.920 -4.510 1.00 0.00 O ATOM 847 CG2 THR A 61 -7.175 2.404 -5.083 1.00 0.00 C ATOM 0 H THR A 61 -6.908 -0.211 -5.595 1.00 0.00 H new ATOM 0 HA THR A 61 -5.883 0.868 -3.217 1.00 0.00 H new ATOM 0 HB THR A 61 -8.011 2.118 -3.138 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.856 0.620 -5.433 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.892 3.176 -5.364 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.271 2.873 -4.693 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.924 1.806 -5.959 1.00 0.00 H new ATOM 855 N ASP A 62 -7.688 -1.701 -2.792 1.00 0.00 N ATOM 856 CA ASP A 62 -8.289 -2.610 -1.823 1.00 0.00 C ATOM 857 C ASP A 62 -7.241 -3.136 -0.847 1.00 0.00 C ATOM 858 O ASP A 62 -7.546 -3.427 0.309 1.00 0.00 O ATOM 859 CB ASP A 62 -8.968 -3.778 -2.541 1.00 0.00 C ATOM 860 CG ASP A 62 -10.318 -3.398 -3.117 1.00 0.00 C ATOM 861 OD1 ASP A 62 -10.374 -2.438 -3.914 1.00 0.00 O ATOM 862 OD2 ASP A 62 -11.318 -4.061 -2.771 1.00 0.00 O ATOM 0 H ASP A 62 -7.494 -2.122 -3.701 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.038 -2.056 -1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.321 -4.133 -3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.094 -4.606 -1.843 1.00 0.00 H new ATOM 867 N TYR A 63 -6.006 -3.255 -1.322 1.00 0.00 N ATOM 868 CA TYR A 63 -4.914 -3.749 -0.493 1.00 0.00 C ATOM 869 C TYR A 63 -4.350 -2.637 0.386 1.00 0.00 C ATOM 870 O TYR A 63 -3.882 -2.884 1.497 1.00 0.00 O ATOM 871 CB TYR A 63 -3.804 -4.333 -1.369 1.00 0.00 C ATOM 872 CG TYR A 63 -4.028 -5.781 -1.744 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.133 -6.161 -2.496 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.135 -6.768 -1.347 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.342 -7.482 -2.841 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.335 -8.092 -1.689 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.440 -8.444 -2.435 1.00 0.00 C ATOM 878 OH TYR A 63 -4.643 -9.761 -2.776 1.00 0.00 O ATOM 0 H TYR A 63 -5.737 -3.016 -2.276 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.309 -4.533 0.153 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.721 -3.739 -2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.853 -4.245 -0.843 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.841 -5.411 -2.816 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.270 -6.496 -0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.207 -7.760 -3.425 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.630 -8.847 -1.374 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.916 -10.309 -2.413 1.00 0.00 H new ATOM 888 N VAL A 64 -4.400 -1.409 -0.121 1.00 0.00 N ATOM 889 CA VAL A 64 -3.897 -0.256 0.617 1.00 0.00 C ATOM 890 C VAL A 64 -4.928 0.866 0.653 1.00 0.00 C ATOM 891 O VAL A 64 -5.614 1.124 -0.335 1.00 0.00 O ATOM 892 CB VAL A 64 -2.592 0.280 -0.001 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.664 -0.867 -0.369 1.00 0.00 C ATOM 894 CG2 VAL A 64 -2.895 1.143 -1.218 1.00 0.00 C ATOM 0 H VAL A 64 -4.784 -1.187 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.697 -0.594 1.634 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.087 0.900 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.748 -0.468 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.421 -1.440 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.157 -1.516 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.962 1.514 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.422 0.548 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.518 1.986 -0.920 1.00 0.00 H new ATOM 904 N GLU A 65 -5.032 1.530 1.800 1.00 0.00 N ATOM 905 CA GLU A 65 -5.981 2.625 1.965 1.00 0.00 C ATOM 906 C GLU A 65 -5.252 3.951 2.167 1.00 0.00 C ATOM 907 O GLU A 65 -4.634 4.178 3.208 1.00 0.00 O ATOM 908 CB GLU A 65 -6.907 2.353 3.152 1.00 0.00 C ATOM 909 CG GLU A 65 -7.437 3.615 3.813 1.00 0.00 C ATOM 910 CD GLU A 65 -8.800 3.414 4.445 1.00 0.00 C ATOM 911 OE1 GLU A 65 -9.772 3.180 3.697 1.00 0.00 O ATOM 912 OE2 GLU A 65 -8.895 3.490 5.688 1.00 0.00 O ATOM 0 H GLU A 65 -4.471 1.329 2.628 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.579 2.694 1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.749 1.749 2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.369 1.763 3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.732 3.945 4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.499 4.411 3.071 1.00 0.00 H new ATOM 919 N ILE A 66 -5.330 4.821 1.166 1.00 0.00 N ATOM 920 CA ILE A 66 -4.679 6.123 1.234 1.00 0.00 C ATOM 921 C ILE A 66 -4.980 6.820 2.557 1.00 0.00 C ATOM 922 O ILE A 66 -6.140 6.970 2.942 1.00 0.00 O ATOM 923 CB ILE A 66 -5.121 7.035 0.074 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.801 6.378 -1.270 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.444 8.393 0.181 1.00 0.00 C ATOM 926 CD1 ILE A 66 -5.128 7.250 -2.462 1.00 0.00 C ATOM 0 H ILE A 66 -5.838 4.648 0.298 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.607 5.944 1.156 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.199 7.183 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.742 6.122 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.357 5.444 -1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.766 9.026 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.718 8.862 1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.362 8.265 0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.875 6.720 -3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.192 7.485 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.552 8.174 -2.406 1.00 0.00 H new ATOM 938 N LEU A 67 -3.928 7.245 3.248 1.00 0.00 N ATOM 939 CA LEU A 67 -4.079 7.928 4.528 1.00 0.00 C ATOM 940 C LEU A 67 -4.773 9.275 4.348 1.00 0.00 C ATOM 941 O LEU A 67 -4.620 9.948 3.328 1.00 0.00 O ATOM 942 CB LEU A 67 -2.713 8.130 5.185 1.00 0.00 C ATOM 943 CG LEU A 67 -1.910 6.859 5.467 1.00 0.00 C ATOM 944 CD1 LEU A 67 -0.601 7.199 6.163 1.00 0.00 C ATOM 945 CD2 LEU A 67 -2.726 5.888 6.307 1.00 0.00 C ATOM 0 H LEU A 67 -2.961 7.129 2.943 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.697 7.304 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.116 8.778 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.859 8.660 6.126 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.679 6.379 4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.043 6.283 6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.010 7.857 5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.811 7.702 7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.139 4.990 6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.988 6.358 7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.636 5.619 5.771 1.00 0.00 H new ATOM 957 N PRO A 68 -5.553 9.679 5.361 1.00 0.00 N ATOM 958 CA PRO A 68 -6.283 10.950 5.339 1.00 0.00 C ATOM 959 C PRO A 68 -5.354 12.155 5.444 1.00 0.00 C ATOM 960 O PRO A 68 -5.789 13.298 5.315 1.00 0.00 O ATOM 961 CB PRO A 68 -7.185 10.862 6.573 1.00 0.00 C ATOM 962 CG PRO A 68 -6.482 9.922 7.490 1.00 0.00 C ATOM 963 CD PRO A 68 -5.781 8.928 6.607 1.00 0.00 C ATOM 0 HA PRO A 68 -6.827 11.091 4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.320 11.840 7.035 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.177 10.493 6.313 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.770 10.453 8.122 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.188 9.424 8.154 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.844 8.589 7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.392 8.042 6.436 1.00 0.00 H new ATOM 971 N ASN A 69 -4.073 11.890 5.678 1.00 0.00 N ATOM 972 CA ASN A 69 -3.083 12.953 5.800 1.00 0.00 C ATOM 973 C ASN A 69 -2.998 13.768 4.513 1.00 0.00 C ATOM 974 O ASN A 69 -2.110 13.555 3.688 1.00 0.00 O ATOM 975 CB ASN A 69 -1.711 12.364 6.135 1.00 0.00 C ATOM 976 CG ASN A 69 -1.743 11.492 7.375 1.00 0.00 C ATOM 977 OD1 ASN A 69 -2.812 11.136 7.869 1.00 0.00 O ATOM 978 ND2 ASN A 69 -0.566 11.145 7.884 1.00 0.00 N ATOM 0 H ASN A 69 -3.696 10.948 5.787 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.395 13.615 6.608 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.355 11.775 5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.997 13.174 6.282 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.524 10.560 8.718 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.295 11.464 7.440 1.00 0.00 H new ATOM 985 N ASP A 70 -3.929 14.702 4.349 1.00 0.00 N ATOM 986 CA ASP A 70 -3.959 15.551 3.164 1.00 0.00 C ATOM 987 C ASP A 70 -4.925 16.716 3.355 1.00 0.00 C ATOM 988 O ASP A 70 -5.998 16.558 3.935 1.00 0.00 O ATOM 989 CB ASP A 70 -4.362 14.734 1.935 1.00 0.00 C ATOM 990 CG ASP A 70 -4.797 15.608 0.776 1.00 0.00 C ATOM 991 OD1 ASP A 70 -3.999 16.470 0.351 1.00 0.00 O ATOM 992 OD2 ASP A 70 -5.935 15.432 0.292 1.00 0.00 O ATOM 0 H ASP A 70 -4.672 14.890 5.022 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.958 15.954 3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.522 14.114 1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.175 14.059 2.202 1.00 0.00 H new ATOM 997 N GLY A 71 -4.535 17.889 2.863 1.00 0.00 N ATOM 998 CA GLY A 71 -5.377 19.064 2.991 1.00 0.00 C ATOM 999 C GLY A 71 -6.795 18.815 2.518 1.00 0.00 C ATOM 1000 O GLY A 71 -7.728 18.777 3.320 1.00 0.00 O ATOM 0 H GLY A 71 -3.651 18.046 2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.396 19.382 4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.944 19.882 2.416 1.00 0.00 H new ATOM 1004 N LYS A 72 -6.960 18.646 1.210 1.00 0.00 N ATOM 1005 CA LYS A 72 -8.275 18.400 0.630 1.00 0.00 C ATOM 1006 C LYS A 72 -8.150 17.898 -0.805 1.00 0.00 C ATOM 1007 O LYS A 72 -7.194 18.227 -1.507 1.00 0.00 O ATOM 1008 CB LYS A 72 -9.117 19.677 0.663 1.00 0.00 C ATOM 1009 CG LYS A 72 -9.627 20.033 2.049 1.00 0.00 C ATOM 1010 CD LYS A 72 -10.911 20.843 1.980 1.00 0.00 C ATOM 1011 CE LYS A 72 -11.314 21.366 3.350 1.00 0.00 C ATOM 1012 NZ LYS A 72 -10.310 22.319 3.898 1.00 0.00 N ATOM 0 H LYS A 72 -6.199 18.675 0.532 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.769 17.631 1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.521 20.505 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.967 19.559 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.802 19.120 2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.865 20.601 2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.778 21.680 1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.712 20.224 1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.283 21.860 3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.433 20.529 4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.747 22.889 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.505 21.789 4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.976 22.946 3.139 1.00 0.00 H new ATOM 1026 N ASP A 73 -9.123 17.101 -1.234 1.00 0.00 N ATOM 1027 CA ASP A 73 -9.123 16.556 -2.587 1.00 0.00 C ATOM 1028 C ASP A 73 -9.609 17.596 -3.592 1.00 0.00 C ATOM 1029 O ASP A 73 -10.495 18.402 -3.309 1.00 0.00 O ATOM 1030 CB ASP A 73 -10.007 15.310 -2.657 1.00 0.00 C ATOM 1031 CG ASP A 73 -9.489 14.182 -1.785 1.00 0.00 C ATOM 1032 OD1 ASP A 73 -8.287 13.862 -1.884 1.00 0.00 O ATOM 1033 OD2 ASP A 73 -10.287 13.621 -1.005 1.00 0.00 O ATOM 0 H ASP A 73 -9.921 16.818 -0.665 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.099 16.281 -2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.020 15.569 -2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.067 14.968 -3.690 1.00 0.00 H new ATOM 1038 N PRO A 74 -9.014 17.580 -4.794 1.00 0.00 N ATOM 1039 CA PRO A 74 -9.369 18.515 -5.866 1.00 0.00 C ATOM 1040 C PRO A 74 -10.755 18.241 -6.439 1.00 0.00 C ATOM 1041 O PRO A 74 -11.583 19.147 -6.549 1.00 0.00 O ATOM 1042 CB PRO A 74 -8.294 18.266 -6.926 1.00 0.00 C ATOM 1043 CG PRO A 74 -7.841 16.867 -6.684 1.00 0.00 C ATOM 1044 CD PRO A 74 -7.950 16.647 -5.201 1.00 0.00 C ATOM 0 HA PRO A 74 -9.406 19.545 -5.511 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.696 18.384 -7.932 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.469 18.972 -6.827 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.461 16.156 -7.230 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.816 16.724 -7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.209 15.615 -4.966 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -7.010 16.863 -4.693 1.00 0.00 H new ATOM 1052 N PHE A 75 -11.003 16.987 -6.802 1.00 0.00 N ATOM 1053 CA PHE A 75 -12.290 16.595 -7.364 1.00 0.00 C ATOM 1054 C PHE A 75 -13.369 16.566 -6.286 1.00 0.00 C ATOM 1055 O PHE A 75 -13.098 16.239 -5.130 1.00 0.00 O ATOM 1056 CB PHE A 75 -12.182 15.221 -8.030 1.00 0.00 C ATOM 1057 CG PHE A 75 -13.474 14.741 -8.627 1.00 0.00 C ATOM 1058 CD1 PHE A 75 -14.028 15.384 -9.722 1.00 0.00 C ATOM 1059 CD2 PHE A 75 -14.134 13.646 -8.093 1.00 0.00 C ATOM 1060 CE1 PHE A 75 -15.217 14.944 -10.272 1.00 0.00 C ATOM 1061 CE2 PHE A 75 -15.323 13.201 -8.639 1.00 0.00 C ATOM 1062 CZ PHE A 75 -15.865 13.851 -9.731 1.00 0.00 C ATOM 0 H PHE A 75 -10.330 16.225 -6.717 1.00 0.00 H new ATOM 0 HA PHE A 75 -12.571 17.334 -8.114 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -11.424 15.264 -8.812 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -11.840 14.495 -7.293 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -13.525 16.238 -10.150 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -13.714 13.134 -7.240 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -15.639 15.455 -11.125 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -15.828 12.347 -8.213 1.00 0.00 H new ATOM 0 HZ PHE A 75 -16.794 13.505 -10.161 1.00 0.00 H new ATOM 1072 N SER A 76 -14.593 16.910 -6.672 1.00 0.00 N ATOM 1073 CA SER A 76 -15.713 16.928 -5.739 1.00 0.00 C ATOM 1074 C SER A 76 -16.315 15.534 -5.585 1.00 0.00 C ATOM 1075 O SER A 76 -16.580 14.849 -6.573 1.00 0.00 O ATOM 1076 CB SER A 76 -16.786 17.910 -6.214 1.00 0.00 C ATOM 1077 OG SER A 76 -17.986 17.750 -5.477 1.00 0.00 O ATOM 0 H SER A 76 -14.834 17.180 -7.625 1.00 0.00 H new ATOM 0 HA SER A 76 -15.339 17.253 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 76 -16.422 18.932 -6.105 1.00 0.00 H new ATOM 0 HB3 SER A 76 -16.983 17.753 -7.274 1.00 0.00 H new ATOM 0 HG SER A 76 -18.655 18.390 -5.798 1.00 0.00 H new ATOM 1083 N CYS A 77 -16.528 15.123 -4.340 1.00 0.00 N ATOM 1084 CA CYS A 77 -17.098 13.811 -4.056 1.00 0.00 C ATOM 1085 C CYS A 77 -18.622 13.862 -4.084 1.00 0.00 C ATOM 1086 O CYS A 77 -19.255 14.300 -3.124 1.00 0.00 O ATOM 1087 CB CYS A 77 -16.617 13.307 -2.694 1.00 0.00 C ATOM 1088 SG CYS A 77 -17.092 11.602 -2.328 1.00 0.00 S ATOM 0 H CYS A 77 -16.315 15.679 -3.512 1.00 0.00 H new ATOM 0 HA CYS A 77 -16.762 13.121 -4.830 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -15.531 13.387 -2.652 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -17.015 13.959 -1.916 1.00 0.00 H new ATOM 0 HG CYS A 77 -16.638 11.267 -1.157 1.00 0.00 H new TER 1094 CYS A 77