USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 SER OG : rot 14:sc= 0.94 USER MOD Set 1.2: A 58 GLN : amide:sc= -0.359 K(o=0.58,f=-2.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0872 USER MOD Single : A 12 GLN : amide:sc= 1.11 K(o=1.1,f=-1.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 72:sc= 1.23 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.186 K(o=-0.19,f=-9.2!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 1.08 (180deg=1.02) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 1.19 K(o=1.2,f=-0.046) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.099 -12.064 1.147 1.00 0.00 N ATOM 2 CA GLY A 1 25.159 -11.454 -0.205 1.00 0.00 C ATOM 3 C GLY A 1 24.357 -12.259 -1.220 1.00 0.00 C ATOM 4 O GLY A 1 23.219 -12.637 -0.944 1.00 0.00 O ATOM 0 H1 GLY A 1 25.656 -11.490 1.812 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.110 -12.103 1.467 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.489 -13.027 1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.774 -10.435 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.197 -11.389 -0.530 1.00 0.00 H new ATOM 10 N SER A 2 24.940 -12.534 -2.394 1.00 0.00 N ATOM 11 CA SER A 2 24.433 -13.432 -3.462 1.00 0.00 C ATOM 12 C SER A 2 23.082 -13.089 -4.130 1.00 0.00 C ATOM 13 O SER A 2 22.658 -13.809 -5.038 1.00 0.00 O ATOM 14 CB SER A 2 24.462 -14.899 -2.994 1.00 0.00 C ATOM 15 OG SER A 2 25.731 -15.252 -2.454 1.00 0.00 O ATOM 0 H SER A 2 25.834 -12.114 -2.648 1.00 0.00 H new ATOM 0 HA SER A 2 25.139 -13.259 -4.274 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.689 -15.057 -2.242 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.228 -15.554 -3.833 1.00 0.00 H new ATOM 0 HG SER A 2 25.715 -16.188 -2.165 1.00 0.00 H new ATOM 21 N GLU A 3 22.406 -12.005 -3.739 1.00 0.00 N ATOM 22 CA GLU A 3 21.088 -11.603 -4.262 1.00 0.00 C ATOM 23 C GLU A 3 20.957 -10.070 -4.352 1.00 0.00 C ATOM 24 O GLU A 3 21.205 -9.359 -3.374 1.00 0.00 O ATOM 25 CB GLU A 3 20.001 -12.205 -3.352 1.00 0.00 C ATOM 26 CG GLU A 3 18.578 -11.979 -3.878 1.00 0.00 C ATOM 27 CD GLU A 3 17.543 -12.662 -2.966 1.00 0.00 C ATOM 28 OE1 GLU A 3 17.255 -13.869 -3.164 1.00 0.00 O ATOM 29 OE2 GLU A 3 16.999 -11.997 -2.051 1.00 0.00 O ATOM 0 H GLU A 3 22.765 -11.363 -3.032 1.00 0.00 H new ATOM 0 HA GLU A 3 20.970 -11.982 -5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.177 -13.276 -3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 3 20.087 -11.769 -2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.371 -10.910 -3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 3 18.493 -12.373 -4.891 1.00 0.00 H new ATOM 36 N THR A 4 20.548 -9.548 -5.516 1.00 0.00 N ATOM 37 CA THR A 4 20.331 -8.106 -5.766 1.00 0.00 C ATOM 38 C THR A 4 19.095 -7.542 -5.047 1.00 0.00 C ATOM 39 O THR A 4 18.209 -8.285 -4.610 1.00 0.00 O ATOM 40 CB THR A 4 20.242 -7.824 -7.282 1.00 0.00 C ATOM 41 OG1 THR A 4 19.296 -8.671 -7.899 1.00 0.00 O ATOM 42 CG2 THR A 4 21.584 -8.056 -7.980 1.00 0.00 C ATOM 0 H THR A 4 20.352 -10.126 -6.333 1.00 0.00 H new ATOM 0 HA THR A 4 21.197 -7.591 -5.349 1.00 0.00 H new ATOM 0 HB THR A 4 19.946 -6.780 -7.381 1.00 0.00 H new ATOM 0 HG1 THR A 4 19.256 -8.473 -8.858 1.00 0.00 H new ATOM 0 HG21 THR A 4 21.481 -7.847 -9.045 1.00 0.00 H new ATOM 0 HG22 THR A 4 22.336 -7.394 -7.552 1.00 0.00 H new ATOM 0 HG23 THR A 4 21.892 -9.092 -7.841 1.00 0.00 H new ATOM 50 N ARG A 5 19.048 -6.209 -4.874 1.00 0.00 N ATOM 51 CA ARG A 5 18.041 -5.513 -4.038 1.00 0.00 C ATOM 52 C ARG A 5 17.088 -4.567 -4.785 1.00 0.00 C ATOM 53 O ARG A 5 16.119 -4.103 -4.184 1.00 0.00 O ATOM 54 CB ARG A 5 18.739 -4.784 -2.872 1.00 0.00 C ATOM 55 CG ARG A 5 19.713 -5.627 -2.022 1.00 0.00 C ATOM 56 CD ARG A 5 19.192 -6.991 -1.539 1.00 0.00 C ATOM 57 NE ARG A 5 17.884 -6.901 -0.856 1.00 0.00 N ATOM 58 CZ ARG A 5 16.792 -7.606 -1.110 1.00 0.00 C ATOM 59 NH1 ARG A 5 16.692 -8.416 -2.128 1.00 0.00 N ATOM 60 NH2 ARG A 5 15.753 -7.498 -0.333 1.00 0.00 N ATOM 0 H ARG A 5 19.714 -5.573 -5.314 1.00 0.00 H new ATOM 0 HA ARG A 5 17.389 -6.302 -3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 5 19.288 -3.935 -3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 5 17.971 -4.380 -2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 5 20.619 -5.794 -2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 5 19.999 -5.041 -1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 5 19.104 -7.663 -2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 5 19.921 -7.432 -0.859 1.00 0.00 H new ATOM 0 HE ARG A 5 17.815 -6.217 -0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 5 17.477 -8.527 -2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.829 -8.938 -2.282 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.780 -6.871 0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.912 -8.041 -0.528 1.00 0.00 H new ATOM 74 N THR A 6 17.337 -4.280 -6.069 1.00 0.00 N ATOM 75 CA THR A 6 16.574 -3.314 -6.895 1.00 0.00 C ATOM 76 C THR A 6 16.515 -1.920 -6.248 1.00 0.00 C ATOM 77 O THR A 6 15.464 -1.411 -5.850 1.00 0.00 O ATOM 78 CB THR A 6 15.185 -3.853 -7.280 1.00 0.00 C ATOM 79 OG1 THR A 6 15.263 -5.205 -7.691 1.00 0.00 O ATOM 80 CG2 THR A 6 14.566 -3.085 -8.452 1.00 0.00 C ATOM 0 H THR A 6 18.097 -4.723 -6.585 1.00 0.00 H new ATOM 0 HA THR A 6 17.121 -3.191 -7.830 1.00 0.00 H new ATOM 0 HB THR A 6 14.571 -3.738 -6.387 1.00 0.00 H new ATOM 0 HG1 THR A 6 14.368 -5.527 -7.929 1.00 0.00 H new ATOM 0 HG21 THR A 6 13.587 -3.504 -8.685 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.456 -2.035 -8.182 1.00 0.00 H new ATOM 0 HG23 THR A 6 15.214 -3.169 -9.325 1.00 0.00 H new ATOM 88 N ILE A 7 17.696 -1.312 -6.124 1.00 0.00 N ATOM 89 CA ILE A 7 17.938 0.051 -5.610 1.00 0.00 C ATOM 90 C ILE A 7 18.818 0.787 -6.636 1.00 0.00 C ATOM 91 O ILE A 7 19.737 0.188 -7.198 1.00 0.00 O ATOM 92 CB ILE A 7 18.589 0.011 -4.205 1.00 0.00 C ATOM 93 CG1 ILE A 7 17.762 -0.867 -3.234 1.00 0.00 C ATOM 94 CG2 ILE A 7 18.736 1.439 -3.641 1.00 0.00 C ATOM 95 CD1 ILE A 7 18.375 -1.019 -1.841 1.00 0.00 C ATOM 0 H ILE A 7 18.563 -1.778 -6.393 1.00 0.00 H new ATOM 0 HA ILE A 7 16.996 0.586 -5.488 1.00 0.00 H new ATOM 0 HB ILE A 7 19.580 -0.433 -4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.765 -0.437 -3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.639 -1.857 -3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.195 1.395 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 7 19.364 2.030 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.753 1.903 -3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.731 -1.649 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 7 19.359 -1.479 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 7 18.472 -0.037 -1.377 1.00 0.00 H new ATOM 107 N SER A 8 18.569 2.077 -6.898 1.00 0.00 N ATOM 108 CA SER A 8 19.183 2.847 -8.001 1.00 0.00 C ATOM 109 C SER A 8 20.593 3.403 -7.741 1.00 0.00 C ATOM 110 O SER A 8 20.978 4.448 -8.271 1.00 0.00 O ATOM 111 CB SER A 8 18.197 3.914 -8.500 1.00 0.00 C ATOM 112 OG SER A 8 17.774 4.742 -7.427 1.00 0.00 O ATOM 0 H SER A 8 17.921 2.632 -6.339 1.00 0.00 H new ATOM 0 HA SER A 8 19.372 2.126 -8.796 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.670 4.522 -9.271 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.333 3.433 -8.958 1.00 0.00 H new ATOM 0 HG SER A 8 17.148 5.417 -7.762 1.00 0.00 H new ATOM 118 N SER A 9 21.377 2.678 -6.944 1.00 0.00 N ATOM 119 CA SER A 9 22.751 2.970 -6.489 1.00 0.00 C ATOM 120 C SER A 9 23.827 2.922 -7.597 1.00 0.00 C ATOM 121 O SER A 9 24.887 2.309 -7.455 1.00 0.00 O ATOM 122 CB SER A 9 23.131 2.039 -5.329 1.00 0.00 C ATOM 123 OG SER A 9 22.103 1.990 -4.352 1.00 0.00 O ATOM 0 H SER A 9 21.045 1.792 -6.563 1.00 0.00 H new ATOM 0 HA SER A 9 22.734 4.007 -6.154 1.00 0.00 H new ATOM 0 HB2 SER A 9 23.321 1.036 -5.711 1.00 0.00 H new ATOM 0 HB3 SER A 9 24.057 2.385 -4.870 1.00 0.00 H new ATOM 0 HG SER A 9 22.370 1.389 -3.626 1.00 0.00 H new ATOM 129 N THR A 10 23.550 3.603 -8.705 1.00 0.00 N ATOM 130 CA THR A 10 24.435 3.916 -9.830 1.00 0.00 C ATOM 131 C THR A 10 24.139 5.362 -10.243 1.00 0.00 C ATOM 132 O THR A 10 24.933 6.255 -9.961 1.00 0.00 O ATOM 133 CB THR A 10 24.233 2.944 -11.007 1.00 0.00 C ATOM 134 OG1 THR A 10 22.863 2.788 -11.327 1.00 0.00 O ATOM 135 CG2 THR A 10 24.789 1.553 -10.713 1.00 0.00 C ATOM 0 H THR A 10 22.617 3.986 -8.855 1.00 0.00 H new ATOM 0 HA THR A 10 25.477 3.805 -9.531 1.00 0.00 H new ATOM 0 HB THR A 10 24.773 3.390 -11.842 1.00 0.00 H new ATOM 0 HG1 THR A 10 22.771 2.166 -12.079 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.622 0.905 -11.573 1.00 0.00 H new ATOM 0 HG22 THR A 10 25.858 1.623 -10.514 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.284 1.136 -9.841 1.00 0.00 H new ATOM 143 N ALA A 11 22.930 5.618 -10.758 1.00 0.00 N ATOM 144 CA ALA A 11 22.424 6.944 -11.126 1.00 0.00 C ATOM 145 C ALA A 11 22.133 7.837 -9.903 1.00 0.00 C ATOM 146 O ALA A 11 22.551 8.995 -9.871 1.00 0.00 O ATOM 147 CB ALA A 11 21.176 6.751 -11.997 1.00 0.00 C ATOM 0 H ALA A 11 22.252 4.877 -10.936 1.00 0.00 H new ATOM 0 HA ALA A 11 23.195 7.474 -11.685 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.779 7.725 -12.285 1.00 0.00 H new ATOM 0 HB2 ALA A 11 21.440 6.188 -12.892 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.420 6.203 -11.434 1.00 0.00 H new ATOM 153 N GLN A 12 21.478 7.298 -8.864 1.00 0.00 N ATOM 154 CA GLN A 12 21.237 8.014 -7.602 1.00 0.00 C ATOM 155 C GLN A 12 22.500 8.073 -6.715 1.00 0.00 C ATOM 156 O GLN A 12 22.629 8.969 -5.884 1.00 0.00 O ATOM 157 CB GLN A 12 20.016 7.388 -6.902 1.00 0.00 C ATOM 158 CG GLN A 12 19.619 8.030 -5.562 1.00 0.00 C ATOM 159 CD GLN A 12 19.449 9.550 -5.597 1.00 0.00 C ATOM 160 OE1 GLN A 12 18.872 10.137 -6.503 1.00 0.00 O ATOM 161 NE2 GLN A 12 19.935 10.241 -4.591 1.00 0.00 N ATOM 0 H GLN A 12 21.099 6.351 -8.875 1.00 0.00 H new ATOM 0 HA GLN A 12 21.006 9.059 -7.811 1.00 0.00 H new ATOM 0 HB2 GLN A 12 19.163 7.444 -7.578 1.00 0.00 H new ATOM 0 HB3 GLN A 12 20.219 6.331 -6.732 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.684 7.583 -5.225 1.00 0.00 H new ATOM 0 HG3 GLN A 12 20.377 7.782 -4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 12 20.418 9.763 -3.830 1.00 0.00 H new ATOM 0 HE22 GLN A 12 19.829 11.255 -4.571 1.00 0.00 H new ATOM 170 N GLU A 13 23.470 7.172 -6.914 1.00 0.00 N ATOM 171 CA GLU A 13 24.770 7.233 -6.226 1.00 0.00 C ATOM 172 C GLU A 13 25.659 8.363 -6.787 1.00 0.00 C ATOM 173 O GLU A 13 26.144 9.194 -6.026 1.00 0.00 O ATOM 174 CB GLU A 13 25.439 5.847 -6.295 1.00 0.00 C ATOM 175 CG GLU A 13 26.731 5.723 -5.479 1.00 0.00 C ATOM 176 CD GLU A 13 26.443 5.599 -3.970 1.00 0.00 C ATOM 177 OE1 GLU A 13 26.303 6.636 -3.280 1.00 0.00 O ATOM 178 OE2 GLU A 13 26.349 4.452 -3.463 1.00 0.00 O ATOM 0 H GLU A 13 23.379 6.382 -7.553 1.00 0.00 H new ATOM 0 HA GLU A 13 24.618 7.483 -5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 13 24.730 5.097 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 13 25.659 5.615 -7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 13 27.291 4.851 -5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.360 6.595 -5.659 1.00 0.00 H new ATOM 185 N ARG A 14 25.841 8.444 -8.116 1.00 0.00 N ATOM 186 CA ARG A 14 26.787 9.400 -8.740 1.00 0.00 C ATOM 187 C ARG A 14 26.472 10.855 -8.390 1.00 0.00 C ATOM 188 O ARG A 14 27.395 11.608 -8.082 1.00 0.00 O ATOM 189 CB ARG A 14 26.940 9.216 -10.263 1.00 0.00 C ATOM 190 CG ARG A 14 25.664 9.377 -11.112 1.00 0.00 C ATOM 191 CD ARG A 14 25.930 10.041 -12.471 1.00 0.00 C ATOM 192 NE ARG A 14 25.871 11.517 -12.386 1.00 0.00 N ATOM 193 CZ ARG A 14 25.132 12.335 -13.110 1.00 0.00 C ATOM 194 NH1 ARG A 14 24.312 11.952 -14.047 1.00 0.00 N ATOM 195 NH2 ARG A 14 25.159 13.607 -12.904 1.00 0.00 N ATOM 0 H ARG A 14 25.345 7.857 -8.787 1.00 0.00 H new ATOM 0 HA ARG A 14 27.754 9.157 -8.301 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.679 9.934 -10.620 1.00 0.00 H new ATOM 0 HB3 ARG A 14 27.347 8.222 -10.446 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.215 8.397 -11.274 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.938 9.972 -10.558 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.911 9.738 -12.837 1.00 0.00 H new ATOM 0 HD3 ARG A 14 25.196 9.690 -13.196 1.00 0.00 H new ATOM 0 HE ARG A 14 26.472 11.953 -11.686 1.00 0.00 H new ATOM 0 HH11 ARG A 14 24.210 10.960 -14.261 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.772 12.644 -14.566 1.00 0.00 H new ATOM 0 HH21 ARG A 14 25.757 13.993 -12.173 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.582 14.228 -13.472 1.00 0.00 H new ATOM 209 N VAL A 15 25.177 11.196 -8.327 1.00 0.00 N ATOM 210 CA VAL A 15 24.710 12.538 -7.939 1.00 0.00 C ATOM 211 C VAL A 15 25.132 12.923 -6.518 1.00 0.00 C ATOM 212 O VAL A 15 25.251 14.111 -6.229 1.00 0.00 O ATOM 213 CB VAL A 15 23.203 12.769 -8.162 1.00 0.00 C ATOM 214 CG1 VAL A 15 22.862 12.718 -9.654 1.00 0.00 C ATOM 215 CG2 VAL A 15 22.305 11.782 -7.416 1.00 0.00 C ATOM 0 H VAL A 15 24.420 10.548 -8.544 1.00 0.00 H new ATOM 0 HA VAL A 15 25.220 13.213 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 15 23.002 13.760 -7.754 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.793 12.883 -9.789 1.00 0.00 H new ATOM 0 HG12 VAL A 15 23.418 13.493 -10.181 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.131 11.741 -10.056 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.260 12.011 -7.625 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.527 10.767 -7.746 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.487 11.863 -6.344 1.00 0.00 H new ATOM 225 N ASP A 16 25.433 11.959 -5.642 1.00 0.00 N ATOM 226 CA ASP A 16 25.935 12.274 -4.296 1.00 0.00 C ATOM 227 C ASP A 16 27.358 12.876 -4.325 1.00 0.00 C ATOM 228 O ASP A 16 27.620 13.881 -3.663 1.00 0.00 O ATOM 229 CB ASP A 16 25.880 11.016 -3.421 1.00 0.00 C ATOM 230 CG ASP A 16 26.245 11.311 -1.959 1.00 0.00 C ATOM 231 OD1 ASP A 16 25.332 11.678 -1.181 1.00 0.00 O ATOM 232 OD2 ASP A 16 27.427 11.138 -1.578 1.00 0.00 O ATOM 0 H ASP A 16 25.340 10.962 -5.836 1.00 0.00 H new ATOM 0 HA ASP A 16 25.290 13.040 -3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 16 24.878 10.588 -3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 16 26.564 10.267 -3.821 1.00 0.00 H new ATOM 237 N LEU A 17 28.269 12.316 -5.131 1.00 0.00 N ATOM 238 CA LEU A 17 29.693 12.677 -5.117 1.00 0.00 C ATOM 239 C LEU A 17 29.922 14.081 -5.692 1.00 0.00 C ATOM 240 O LEU A 17 30.665 14.885 -5.133 1.00 0.00 O ATOM 241 CB LEU A 17 30.504 11.625 -5.906 1.00 0.00 C ATOM 242 CG LEU A 17 30.718 10.233 -5.273 1.00 0.00 C ATOM 243 CD1 LEU A 17 31.327 10.313 -3.871 1.00 0.00 C ATOM 244 CD2 LEU A 17 29.451 9.383 -5.208 1.00 0.00 C ATOM 0 H LEU A 17 28.038 11.596 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 17 30.034 12.690 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.012 11.480 -6.867 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.486 12.050 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 17 31.420 9.744 -5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 17 31.456 9.307 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 17 32.296 10.810 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 17 30.663 10.879 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 17 29.682 8.421 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 17 28.698 9.897 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 17 29.068 9.224 -6.216 1.00 0.00 H new ATOM 256 N GLU A 18 29.219 14.398 -6.777 1.00 0.00 N ATOM 257 CA GLU A 18 29.164 15.739 -7.370 1.00 0.00 C ATOM 258 C GLU A 18 28.510 16.774 -6.431 1.00 0.00 C ATOM 259 O GLU A 18 28.960 17.917 -6.381 1.00 0.00 O ATOM 260 CB GLU A 18 28.506 15.673 -8.760 1.00 0.00 C ATOM 261 CG GLU A 18 27.133 14.992 -8.780 1.00 0.00 C ATOM 262 CD GLU A 18 26.772 14.534 -10.211 1.00 0.00 C ATOM 263 OE1 GLU A 18 26.259 15.345 -11.009 1.00 0.00 O ATOM 264 OE2 GLU A 18 26.955 13.347 -10.567 1.00 0.00 O ATOM 0 H GLU A 18 28.656 13.714 -7.284 1.00 0.00 H new ATOM 0 HA GLU A 18 30.184 16.097 -7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.401 16.687 -9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.172 15.140 -9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.137 14.134 -8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 18 26.374 15.682 -8.411 1.00 0.00 H new ATOM 271 N ALA A 19 27.536 16.385 -5.597 1.00 0.00 N ATOM 272 CA ALA A 19 26.994 17.259 -4.551 1.00 0.00 C ATOM 273 C ALA A 19 28.017 17.542 -3.430 1.00 0.00 C ATOM 274 O ALA A 19 28.142 18.684 -2.987 1.00 0.00 O ATOM 275 CB ALA A 19 25.691 16.642 -4.029 1.00 0.00 C ATOM 0 H ALA A 19 27.105 15.461 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 19 26.775 18.239 -4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.273 17.279 -3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 19 24.977 16.554 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 19 25.896 15.653 -3.618 1.00 0.00 H new ATOM 281 N VAL A 20 28.809 16.543 -3.023 1.00 0.00 N ATOM 282 CA VAL A 20 29.928 16.716 -2.070 1.00 0.00 C ATOM 283 C VAL A 20 31.031 17.601 -2.667 1.00 0.00 C ATOM 284 O VAL A 20 31.520 18.506 -1.990 1.00 0.00 O ATOM 285 CB VAL A 20 30.469 15.349 -1.594 1.00 0.00 C ATOM 286 CG1 VAL A 20 31.731 15.477 -0.730 1.00 0.00 C ATOM 287 CG2 VAL A 20 29.420 14.620 -0.746 1.00 0.00 C ATOM 0 H VAL A 20 28.696 15.582 -3.344 1.00 0.00 H new ATOM 0 HA VAL A 20 29.548 17.233 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 20 30.707 14.795 -2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 20 32.065 14.485 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 20 32.518 15.964 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.507 16.073 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.819 13.660 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.173 15.225 0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.521 14.456 -1.341 1.00 0.00 H new ATOM 297 N ARG A 21 31.367 17.431 -3.954 1.00 0.00 N ATOM 298 CA ARG A 21 32.314 18.309 -4.669 1.00 0.00 C ATOM 299 C ARG A 21 31.861 19.772 -4.649 1.00 0.00 C ATOM 300 O ARG A 21 32.667 20.653 -4.368 1.00 0.00 O ATOM 301 CB ARG A 21 32.516 17.766 -6.098 1.00 0.00 C ATOM 302 CG ARG A 21 33.522 18.557 -6.953 1.00 0.00 C ATOM 303 CD ARG A 21 34.916 18.729 -6.330 1.00 0.00 C ATOM 304 NE ARG A 21 35.557 17.432 -6.028 1.00 0.00 N ATOM 305 CZ ARG A 21 36.701 17.244 -5.393 1.00 0.00 C ATOM 306 NH1 ARG A 21 37.424 18.240 -4.960 1.00 0.00 N ATOM 307 NH2 ARG A 21 37.147 16.040 -5.178 1.00 0.00 N ATOM 0 H ARG A 21 30.991 16.680 -4.533 1.00 0.00 H new ATOM 0 HA ARG A 21 33.276 18.299 -4.157 1.00 0.00 H new ATOM 0 HB2 ARG A 21 32.850 16.730 -6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 21 31.553 17.759 -6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.631 18.056 -7.915 1.00 0.00 H new ATOM 0 HG3 ARG A 21 33.107 19.545 -7.154 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.550 19.295 -7.013 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.833 19.313 -5.414 1.00 0.00 H new ATOM 0 HE ARG A 21 35.066 16.595 -6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 21 37.111 19.199 -5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 21 38.302 18.059 -4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 21 36.613 15.233 -5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 21 38.031 15.904 -4.687 1.00 0.00 H new ATOM 321 N LEU A 22 30.571 20.042 -4.848 1.00 0.00 N ATOM 322 CA LEU A 22 29.995 21.382 -4.719 1.00 0.00 C ATOM 323 C LEU A 22 29.957 21.886 -3.282 1.00 0.00 C ATOM 324 O LEU A 22 30.205 23.066 -3.090 1.00 0.00 O ATOM 325 CB LEU A 22 28.625 21.495 -5.397 1.00 0.00 C ATOM 326 CG LEU A 22 28.751 21.985 -6.849 1.00 0.00 C ATOM 327 CD1 LEU A 22 29.254 20.915 -7.813 1.00 0.00 C ATOM 328 CD2 LEU A 22 27.389 22.467 -7.313 1.00 0.00 C ATOM 0 H LEU A 22 29.888 19.329 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 22 30.676 22.044 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 22 28.130 20.524 -5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 22 27.995 22.183 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 22 29.491 22.785 -6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 22 29.318 21.332 -8.818 1.00 0.00 H new ATOM 0 HD12 LEU A 22 30.241 20.576 -7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 22 28.563 20.072 -7.813 1.00 0.00 H new ATOM 0 HD21 LEU A 22 27.459 22.819 -8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.674 21.646 -7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.054 23.283 -6.673 1.00 0.00 H new ATOM 340 N ALA A 23 29.759 21.045 -2.268 1.00 0.00 N ATOM 341 CA ALA A 23 29.940 21.475 -0.880 1.00 0.00 C ATOM 342 C ALA A 23 31.357 22.050 -0.652 1.00 0.00 C ATOM 343 O ALA A 23 31.507 23.055 0.043 1.00 0.00 O ATOM 344 CB ALA A 23 29.577 20.309 0.045 1.00 0.00 C ATOM 0 H ALA A 23 29.476 20.071 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 23 29.268 22.300 -0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 23 29.707 20.614 1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 23 28.539 20.022 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 23 30.227 19.460 -0.168 1.00 0.00 H new ATOM 350 N SER A 24 32.372 21.516 -1.343 1.00 0.00 N ATOM 351 CA SER A 24 33.727 22.092 -1.377 1.00 0.00 C ATOM 352 C SER A 24 33.837 23.378 -2.216 1.00 0.00 C ATOM 353 O SER A 24 34.542 24.297 -1.791 1.00 0.00 O ATOM 354 CB SER A 24 34.765 21.062 -1.842 1.00 0.00 C ATOM 355 OG SER A 24 34.724 19.909 -1.015 1.00 0.00 O ATOM 0 H SER A 24 32.278 20.666 -1.899 1.00 0.00 H new ATOM 0 HA SER A 24 33.942 22.375 -0.347 1.00 0.00 H new ATOM 0 HB2 SER A 24 34.570 20.782 -2.877 1.00 0.00 H new ATOM 0 HB3 SER A 24 35.762 21.502 -1.813 1.00 0.00 H new ATOM 0 HG SER A 24 35.390 19.260 -1.325 1.00 0.00 H new ATOM 361 N ILE A 25 33.144 23.519 -3.364 1.00 0.00 N ATOM 362 CA ILE A 25 33.234 24.784 -4.127 1.00 0.00 C ATOM 363 C ILE A 25 32.482 25.915 -3.401 1.00 0.00 C ATOM 364 O ILE A 25 32.920 27.063 -3.400 1.00 0.00 O ATOM 365 CB ILE A 25 32.760 24.666 -5.588 1.00 0.00 C ATOM 366 CG1 ILE A 25 33.090 23.336 -6.294 1.00 0.00 C ATOM 367 CG2 ILE A 25 33.355 25.841 -6.392 1.00 0.00 C ATOM 368 CD1 ILE A 25 34.520 22.798 -6.232 1.00 0.00 C ATOM 0 H ILE A 25 32.539 22.806 -3.772 1.00 0.00 H new ATOM 0 HA ILE A 25 34.295 25.028 -4.175 1.00 0.00 H new ATOM 0 HB ILE A 25 31.671 24.696 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 25 32.433 22.572 -5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 25 32.826 23.447 -7.346 1.00 0.00 H new ATOM 0 HG21 ILE A 25 33.029 25.773 -7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 25 33.013 26.784 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.443 25.797 -6.349 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.579 21.857 -6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.201 23.521 -6.681 1.00 0.00 H new ATOM 0 HD13 ILE A 25 34.801 22.632 -5.192 1.00 0.00 H new ATOM 380 N VAL A 26 31.385 25.583 -2.716 1.00 0.00 N ATOM 381 CA VAL A 26 30.607 26.512 -1.886 1.00 0.00 C ATOM 382 C VAL A 26 31.415 26.900 -0.650 1.00 0.00 C ATOM 383 O VAL A 26 31.563 28.090 -0.417 1.00 0.00 O ATOM 384 CB VAL A 26 29.255 25.895 -1.498 1.00 0.00 C ATOM 385 CG1 VAL A 26 28.443 26.827 -0.592 1.00 0.00 C ATOM 386 CG2 VAL A 26 28.393 25.595 -2.739 1.00 0.00 C ATOM 0 H VAL A 26 31.002 24.638 -2.722 1.00 0.00 H new ATOM 0 HA VAL A 26 30.400 27.415 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 26 29.492 24.972 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 26 27.494 26.354 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 26 29.003 27.025 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 26 28.254 27.766 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.444 25.159 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 26 28.205 26.520 -3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 26 28.919 24.893 -3.386 1.00 0.00 H new ATOM 396 N ASP A 27 32.042 25.968 0.076 1.00 0.00 N ATOM 397 CA ASP A 27 32.996 26.304 1.147 1.00 0.00 C ATOM 398 C ASP A 27 34.108 27.249 0.655 1.00 0.00 C ATOM 399 O ASP A 27 34.409 28.257 1.297 1.00 0.00 O ATOM 400 CB ASP A 27 33.617 25.020 1.709 1.00 0.00 C ATOM 401 CG ASP A 27 34.759 25.320 2.695 1.00 0.00 C ATOM 402 OD1 ASP A 27 34.532 26.047 3.690 1.00 0.00 O ATOM 403 OD2 ASP A 27 35.882 24.804 2.475 1.00 0.00 O ATOM 0 H ASP A 27 31.906 24.966 -0.058 1.00 0.00 H new ATOM 0 HA ASP A 27 32.444 26.824 1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.847 24.434 2.212 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.996 24.411 0.889 1.00 0.00 H new ATOM 408 N SER A 28 34.651 26.986 -0.540 1.00 0.00 N ATOM 409 CA SER A 28 35.663 27.853 -1.170 1.00 0.00 C ATOM 410 C SER A 28 35.137 29.279 -1.418 1.00 0.00 C ATOM 411 O SER A 28 35.898 30.242 -1.329 1.00 0.00 O ATOM 412 CB SER A 28 36.179 27.239 -2.480 1.00 0.00 C ATOM 413 OG SER A 28 36.693 25.931 -2.274 1.00 0.00 O ATOM 0 H SER A 28 34.404 26.169 -1.099 1.00 0.00 H new ATOM 0 HA SER A 28 36.493 27.927 -0.467 1.00 0.00 H new ATOM 0 HB2 SER A 28 35.370 27.203 -3.210 1.00 0.00 H new ATOM 0 HB3 SER A 28 36.958 27.876 -2.899 1.00 0.00 H new ATOM 0 HG SER A 28 35.953 25.313 -2.096 1.00 0.00 H new ATOM 419 N ARG A 29 33.824 29.437 -1.645 1.00 0.00 N ATOM 420 CA ARG A 29 33.115 30.726 -1.747 1.00 0.00 C ATOM 421 C ARG A 29 32.745 31.330 -0.387 1.00 0.00 C ATOM 422 O ARG A 29 32.837 32.547 -0.233 1.00 0.00 O ATOM 423 CB ARG A 29 31.880 30.511 -2.640 1.00 0.00 C ATOM 424 CG ARG A 29 31.121 31.790 -3.005 1.00 0.00 C ATOM 425 CD ARG A 29 31.910 32.793 -3.850 1.00 0.00 C ATOM 426 NE ARG A 29 31.020 33.873 -4.330 1.00 0.00 N ATOM 427 CZ ARG A 29 31.273 34.738 -5.297 1.00 0.00 C ATOM 428 NH1 ARG A 29 32.436 34.793 -5.883 1.00 0.00 N ATOM 429 NH2 ARG A 29 30.366 35.579 -5.693 1.00 0.00 N ATOM 0 H ARG A 29 33.200 28.639 -1.768 1.00 0.00 H new ATOM 0 HA ARG A 29 33.783 31.462 -2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 29 32.195 30.017 -3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.196 29.832 -2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.216 31.515 -3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 29 30.805 32.282 -2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 29 32.722 33.217 -3.259 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.366 32.284 -4.699 1.00 0.00 H new ATOM 0 HE ARG A 29 30.116 33.959 -3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.181 34.157 -5.598 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.601 35.472 -6.626 1.00 0.00 H new ATOM 0 HH21 ARG A 29 29.444 35.578 -5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 29 30.576 36.241 -6.440 1.00 0.00 H new ATOM 443 N LEU A 30 32.398 30.531 0.623 1.00 0.00 N ATOM 444 CA LEU A 30 32.156 31.032 1.985 1.00 0.00 C ATOM 445 C LEU A 30 33.446 31.590 2.622 1.00 0.00 C ATOM 446 O LEU A 30 33.405 32.615 3.302 1.00 0.00 O ATOM 447 CB LEU A 30 31.501 29.949 2.864 1.00 0.00 C ATOM 448 CG LEU A 30 30.138 29.424 2.375 1.00 0.00 C ATOM 449 CD1 LEU A 30 29.543 28.420 3.365 1.00 0.00 C ATOM 450 CD2 LEU A 30 29.110 30.542 2.173 1.00 0.00 C ATOM 0 H LEU A 30 32.276 29.523 0.525 1.00 0.00 H new ATOM 0 HA LEU A 30 31.454 31.863 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 30 32.188 29.106 2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 30 31.375 30.351 3.869 1.00 0.00 H new ATOM 0 HG LEU A 30 30.339 28.947 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 30 28.581 28.068 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 30 30.221 27.574 3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 30 29.402 28.902 4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 30 28.169 30.113 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 30 28.947 31.062 3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 30 29.481 31.248 1.430 1.00 0.00 H new ATOM 462 N ILE A 31 34.599 30.984 2.321 1.00 0.00 N ATOM 463 CA ILE A 31 35.936 31.507 2.658 1.00 0.00 C ATOM 464 C ILE A 31 36.304 32.701 1.749 1.00 0.00 C ATOM 465 O ILE A 31 36.922 33.666 2.201 1.00 0.00 O ATOM 466 CB ILE A 31 36.972 30.356 2.561 1.00 0.00 C ATOM 467 CG1 ILE A 31 36.685 29.281 3.639 1.00 0.00 C ATOM 468 CG2 ILE A 31 38.418 30.870 2.712 1.00 0.00 C ATOM 469 CD1 ILE A 31 37.438 27.963 3.421 1.00 0.00 C ATOM 0 H ILE A 31 34.634 30.094 1.824 1.00 0.00 H new ATOM 0 HA ILE A 31 35.937 31.884 3.681 1.00 0.00 H new ATOM 0 HB ILE A 31 36.874 29.914 1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 31 36.951 29.682 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 31 35.614 29.077 3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 31 39.111 30.032 2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 31 38.633 31.590 1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 31 38.533 31.352 3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 31 37.184 27.263 4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 31 37.155 27.537 2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 31 38.512 28.151 3.432 1.00 0.00 H new ATOM 481 N GLY A 32 35.900 32.656 0.472 1.00 0.00 N ATOM 482 CA GLY A 32 36.287 33.602 -0.578 1.00 0.00 C ATOM 483 C GLY A 32 35.640 34.976 -0.466 1.00 0.00 C ATOM 484 O GLY A 32 36.271 35.998 -0.745 1.00 0.00 O ATOM 0 H GLY A 32 35.270 31.930 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 32 37.370 33.723 -0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 32 36.032 33.173 -1.547 1.00 0.00 H new ATOM 488 N THR A 33 34.371 34.991 -0.057 1.00 0.00 N ATOM 489 CA THR A 33 33.584 36.221 0.162 1.00 0.00 C ATOM 490 C THR A 33 32.432 36.081 1.177 1.00 0.00 C ATOM 491 O THR A 33 32.080 37.064 1.833 1.00 0.00 O ATOM 492 CB THR A 33 33.060 36.735 -1.194 1.00 0.00 C ATOM 493 OG1 THR A 33 32.506 38.027 -1.079 1.00 0.00 O ATOM 494 CG2 THR A 33 31.999 35.814 -1.796 1.00 0.00 C ATOM 0 H THR A 33 33.846 34.138 0.137 1.00 0.00 H new ATOM 0 HA THR A 33 34.263 36.944 0.614 1.00 0.00 H new ATOM 0 HB THR A 33 33.928 36.758 -1.853 1.00 0.00 H new ATOM 0 HG1 THR A 33 32.185 38.324 -1.956 1.00 0.00 H new ATOM 0 HG21 THR A 33 31.663 36.221 -2.750 1.00 0.00 H new ATOM 0 HG22 THR A 33 32.425 34.823 -1.954 1.00 0.00 H new ATOM 0 HG23 THR A 33 31.152 35.741 -1.114 1.00 0.00 H new ATOM 502 N GLY A 34 31.862 34.876 1.366 1.00 0.00 N ATOM 503 CA GLY A 34 30.827 34.618 2.389 1.00 0.00 C ATOM 504 C GLY A 34 29.387 34.482 1.887 1.00 0.00 C ATOM 505 O GLY A 34 28.451 34.431 2.685 1.00 0.00 O ATOM 0 H GLY A 34 32.105 34.053 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 34 31.091 33.702 2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.859 35.428 3.118 1.00 0.00 H new ATOM 509 N SER A 35 29.173 34.410 0.574 1.00 0.00 N ATOM 510 CA SER A 35 27.879 34.124 -0.075 1.00 0.00 C ATOM 511 C SER A 35 28.107 33.611 -1.500 1.00 0.00 C ATOM 512 O SER A 35 29.023 34.069 -2.183 1.00 0.00 O ATOM 513 CB SER A 35 26.997 35.380 -0.127 1.00 0.00 C ATOM 514 OG SER A 35 26.536 35.717 1.172 1.00 0.00 O ATOM 0 H SER A 35 29.924 34.554 -0.102 1.00 0.00 H new ATOM 0 HA SER A 35 27.371 33.362 0.516 1.00 0.00 H new ATOM 0 HB2 SER A 35 27.563 36.212 -0.546 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.147 35.208 -0.788 1.00 0.00 H new ATOM 0 HG SER A 35 27.050 35.219 1.841 1.00 0.00 H new ATOM 520 N VAL A 36 27.298 32.653 -1.956 1.00 0.00 N ATOM 521 CA VAL A 36 27.390 32.042 -3.297 1.00 0.00 C ATOM 522 C VAL A 36 26.239 32.519 -4.189 1.00 0.00 C ATOM 523 O VAL A 36 25.130 32.763 -3.712 1.00 0.00 O ATOM 524 CB VAL A 36 27.468 30.506 -3.183 1.00 0.00 C ATOM 525 CG1 VAL A 36 26.152 29.875 -2.731 1.00 0.00 C ATOM 526 CG2 VAL A 36 27.889 29.836 -4.495 1.00 0.00 C ATOM 0 H VAL A 36 26.540 32.266 -1.394 1.00 0.00 H new ATOM 0 HA VAL A 36 28.311 32.369 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 36 28.230 30.332 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 36 26.269 28.793 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 36 25.878 30.267 -1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 36 25.368 30.115 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.927 28.756 -4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.166 30.076 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.874 30.199 -4.789 1.00 0.00 H new ATOM 536 N ASP A 37 26.499 32.651 -5.489 1.00 0.00 N ATOM 537 CA ASP A 37 25.556 33.139 -6.500 1.00 0.00 C ATOM 538 C ASP A 37 25.520 32.173 -7.693 1.00 0.00 C ATOM 539 O ASP A 37 26.460 31.403 -7.895 1.00 0.00 O ATOM 540 CB ASP A 37 25.965 34.552 -6.961 1.00 0.00 C ATOM 541 CG ASP A 37 26.398 35.483 -5.811 1.00 0.00 C ATOM 542 OD1 ASP A 37 27.605 35.498 -5.456 1.00 0.00 O ATOM 543 OD2 ASP A 37 25.534 36.224 -5.282 1.00 0.00 O ATOM 0 H ASP A 37 27.408 32.412 -5.885 1.00 0.00 H new ATOM 0 HA ASP A 37 24.558 33.190 -6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 37 26.784 34.468 -7.675 1.00 0.00 H new ATOM 0 HB3 ASP A 37 25.127 35.008 -7.489 1.00 0.00 H new ATOM 548 N GLU A 38 24.461 32.217 -8.509 1.00 0.00 N ATOM 549 CA GLU A 38 24.269 31.278 -9.632 1.00 0.00 C ATOM 550 C GLU A 38 25.470 31.249 -10.595 1.00 0.00 C ATOM 551 O GLU A 38 25.891 30.184 -11.052 1.00 0.00 O ATOM 552 CB GLU A 38 22.990 31.667 -10.394 1.00 0.00 C ATOM 553 CG GLU A 38 22.345 30.468 -11.100 1.00 0.00 C ATOM 554 CD GLU A 38 21.311 30.893 -12.163 1.00 0.00 C ATOM 555 OE1 GLU A 38 20.520 31.841 -11.926 1.00 0.00 O ATOM 556 OE2 GLU A 38 21.292 30.277 -13.257 1.00 0.00 O ATOM 0 H GLU A 38 23.711 32.902 -8.414 1.00 0.00 H new ATOM 0 HA GLU A 38 24.178 30.274 -9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.274 32.104 -9.698 1.00 0.00 H new ATOM 0 HB3 GLU A 38 23.228 32.434 -11.131 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.122 29.868 -11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.859 29.833 -10.359 1.00 0.00 H new ATOM 563 N ASP A 39 26.087 32.409 -10.838 1.00 0.00 N ATOM 564 CA ASP A 39 27.261 32.565 -11.702 1.00 0.00 C ATOM 565 C ASP A 39 28.526 31.871 -11.155 1.00 0.00 C ATOM 566 O ASP A 39 29.419 31.529 -11.931 1.00 0.00 O ATOM 567 CB ASP A 39 27.501 34.069 -11.890 1.00 0.00 C ATOM 568 CG ASP A 39 28.592 34.365 -12.930 1.00 0.00 C ATOM 569 OD1 ASP A 39 28.378 34.035 -14.121 1.00 0.00 O ATOM 570 OD2 ASP A 39 29.636 34.960 -12.569 1.00 0.00 O ATOM 0 H ASP A 39 25.775 33.289 -10.428 1.00 0.00 H new ATOM 0 HA ASP A 39 27.058 32.074 -12.654 1.00 0.00 H new ATOM 0 HB2 ASP A 39 26.571 34.546 -12.198 1.00 0.00 H new ATOM 0 HB3 ASP A 39 27.785 34.511 -10.935 1.00 0.00 H new ATOM 575 N PHE A 40 28.586 31.613 -9.840 1.00 0.00 N ATOM 576 CA PHE A 40 29.660 30.860 -9.184 1.00 0.00 C ATOM 577 C PHE A 40 29.350 29.353 -9.060 1.00 0.00 C ATOM 578 O PHE A 40 30.098 28.620 -8.413 1.00 0.00 O ATOM 579 CB PHE A 40 29.978 31.506 -7.825 1.00 0.00 C ATOM 580 CG PHE A 40 31.390 31.235 -7.330 1.00 0.00 C ATOM 581 CD1 PHE A 40 32.447 32.061 -7.760 1.00 0.00 C ATOM 582 CD2 PHE A 40 31.665 30.143 -6.483 1.00 0.00 C ATOM 583 CE1 PHE A 40 33.765 31.806 -7.339 1.00 0.00 C ATOM 584 CE2 PHE A 40 32.987 29.877 -6.078 1.00 0.00 C ATOM 585 CZ PHE A 40 34.035 30.714 -6.496 1.00 0.00 C ATOM 0 H PHE A 40 27.869 31.932 -9.188 1.00 0.00 H new ATOM 0 HA PHE A 40 30.547 30.912 -9.815 1.00 0.00 H new ATOM 0 HB2 PHE A 40 29.831 32.583 -7.902 1.00 0.00 H new ATOM 0 HB3 PHE A 40 29.267 31.140 -7.084 1.00 0.00 H new ATOM 0 HD1 PHE A 40 32.245 32.894 -8.416 1.00 0.00 H new ATOM 0 HD2 PHE A 40 30.860 29.508 -6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 40 34.569 32.449 -7.664 1.00 0.00 H new ATOM 0 HE2 PHE A 40 33.196 29.028 -5.445 1.00 0.00 H new ATOM 0 HZ PHE A 40 35.046 30.519 -6.170 1.00 0.00 H new ATOM 595 N LEU A 41 28.242 28.873 -9.645 1.00 0.00 N ATOM 596 CA LEU A 41 27.876 27.449 -9.663 1.00 0.00 C ATOM 597 C LEU A 41 27.567 26.889 -11.070 1.00 0.00 C ATOM 598 O LEU A 41 27.761 25.696 -11.311 1.00 0.00 O ATOM 599 CB LEU A 41 26.675 27.274 -8.715 1.00 0.00 C ATOM 600 CG LEU A 41 27.007 27.432 -7.220 1.00 0.00 C ATOM 601 CD1 LEU A 41 25.723 27.287 -6.403 1.00 0.00 C ATOM 602 CD2 LEU A 41 28.005 26.379 -6.733 1.00 0.00 C ATOM 0 H LEU A 41 27.568 29.470 -10.124 1.00 0.00 H new ATOM 0 HA LEU A 41 28.737 26.869 -9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 41 25.909 28.003 -8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 41 26.244 26.286 -8.875 1.00 0.00 H new ATOM 0 HG LEU A 41 27.456 28.417 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 41 25.952 27.398 -5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 41 25.012 28.057 -6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 41 25.289 26.303 -6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 41 28.207 26.532 -5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.586 25.384 -6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 41 28.934 26.470 -7.296 1.00 0.00 H new ATOM 614 N ARG A 42 27.125 27.708 -12.033 1.00 0.00 N ATOM 615 CA ARG A 42 26.859 27.257 -13.422 1.00 0.00 C ATOM 616 C ARG A 42 28.097 26.737 -14.174 1.00 0.00 C ATOM 617 O ARG A 42 27.971 25.937 -15.094 1.00 0.00 O ATOM 618 CB ARG A 42 26.159 28.386 -14.194 1.00 0.00 C ATOM 619 CG ARG A 42 27.057 29.615 -14.418 1.00 0.00 C ATOM 620 CD ARG A 42 26.325 30.738 -15.163 1.00 0.00 C ATOM 621 NE ARG A 42 27.258 31.828 -15.506 1.00 0.00 N ATOM 622 CZ ARG A 42 27.976 31.984 -16.601 1.00 0.00 C ATOM 623 NH1 ARG A 42 27.920 31.170 -17.619 1.00 0.00 N ATOM 624 NH2 ARG A 42 28.783 32.998 -16.659 1.00 0.00 N ATOM 0 H ARG A 42 26.940 28.699 -11.881 1.00 0.00 H new ATOM 0 HA ARG A 42 26.204 26.388 -13.353 1.00 0.00 H new ATOM 0 HB2 ARG A 42 25.828 28.005 -15.160 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.266 28.691 -13.648 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.407 29.988 -13.455 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.940 29.320 -14.985 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.870 30.343 -16.071 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.516 31.126 -14.544 1.00 0.00 H new ATOM 0 HE ARG A 42 27.362 32.559 -14.802 1.00 0.00 H new ATOM 0 HH11 ARG A 42 27.297 30.363 -17.593 1.00 0.00 H new ATOM 0 HH12 ARG A 42 28.499 31.341 -18.441 1.00 0.00 H new ATOM 0 HH21 ARG A 42 28.847 33.644 -15.873 1.00 0.00 H new ATOM 0 HH22 ARG A 42 29.353 33.149 -17.491 1.00 0.00 H new ATOM 638 N GLU A 43 29.289 27.151 -13.756 1.00 0.00 N ATOM 639 CA GLU A 43 30.590 26.672 -14.257 1.00 0.00 C ATOM 640 C GLU A 43 31.119 25.458 -13.467 1.00 0.00 C ATOM 641 O GLU A 43 32.166 24.900 -13.800 1.00 0.00 O ATOM 642 CB GLU A 43 31.658 27.793 -14.202 1.00 0.00 C ATOM 643 CG GLU A 43 31.200 29.223 -13.872 1.00 0.00 C ATOM 644 CD GLU A 43 32.425 30.101 -13.556 1.00 0.00 C ATOM 645 OE1 GLU A 43 33.039 29.918 -12.473 1.00 0.00 O ATOM 646 OE2 GLU A 43 32.801 30.954 -14.399 1.00 0.00 O ATOM 0 H GLU A 43 29.388 27.859 -13.029 1.00 0.00 H new ATOM 0 HA GLU A 43 30.416 26.368 -15.289 1.00 0.00 H new ATOM 0 HB2 GLU A 43 32.405 27.504 -13.462 1.00 0.00 H new ATOM 0 HB3 GLU A 43 32.161 27.820 -15.169 1.00 0.00 H new ATOM 0 HG2 GLU A 43 30.648 29.642 -14.714 1.00 0.00 H new ATOM 0 HG3 GLU A 43 30.520 29.210 -13.020 1.00 0.00 H new ATOM 653 N GLN A 44 30.429 25.054 -12.394 1.00 0.00 N ATOM 654 CA GLN A 44 30.871 24.081 -11.399 1.00 0.00 C ATOM 655 C GLN A 44 30.115 22.756 -11.533 1.00 0.00 C ATOM 656 O GLN A 44 30.624 21.726 -11.097 1.00 0.00 O ATOM 657 CB GLN A 44 30.601 24.661 -9.997 1.00 0.00 C ATOM 658 CG GLN A 44 31.474 25.849 -9.577 1.00 0.00 C ATOM 659 CD GLN A 44 31.573 27.064 -10.504 1.00 0.00 C ATOM 660 OE1 GLN A 44 30.615 27.527 -11.101 1.00 0.00 O ATOM 661 NE2 GLN A 44 32.751 27.624 -10.668 1.00 0.00 N ATOM 0 H GLN A 44 29.499 25.419 -12.189 1.00 0.00 H new ATOM 0 HA GLN A 44 31.933 23.887 -11.553 1.00 0.00 H new ATOM 0 HB2 GLN A 44 29.557 24.969 -9.949 1.00 0.00 H new ATOM 0 HB3 GLN A 44 30.732 23.864 -9.265 1.00 0.00 H new ATOM 0 HG2 GLN A 44 31.109 26.201 -8.612 1.00 0.00 H new ATOM 0 HG3 GLN A 44 32.485 25.474 -9.418 1.00 0.00 H new ATOM 0 HE21 GLN A 44 33.565 27.253 -10.178 1.00 0.00 H new ATOM 0 HE22 GLN A 44 32.851 28.430 -11.285 1.00 0.00 H new ATOM 670 N ILE A 45 28.914 22.783 -12.135 1.00 0.00 N ATOM 671 CA ILE A 45 28.059 21.607 -12.349 1.00 0.00 C ATOM 672 C ILE A 45 28.818 20.490 -13.056 1.00 0.00 C ATOM 673 O ILE A 45 29.017 19.425 -12.474 1.00 0.00 O ATOM 674 CB ILE A 45 26.781 21.930 -13.158 1.00 0.00 C ATOM 675 CG1 ILE A 45 26.882 23.119 -14.140 1.00 0.00 C ATOM 676 CG2 ILE A 45 25.621 22.161 -12.194 1.00 0.00 C ATOM 677 CD1 ILE A 45 25.753 23.153 -15.181 1.00 0.00 C ATOM 0 H ILE A 45 28.503 23.644 -12.494 1.00 0.00 H new ATOM 0 HA ILE A 45 27.759 21.280 -11.353 1.00 0.00 H new ATOM 0 HB ILE A 45 26.620 21.059 -13.793 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.871 24.050 -13.573 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.841 23.072 -14.657 1.00 0.00 H new ATOM 0 HG21 ILE A 45 24.718 22.389 -12.760 1.00 0.00 H new ATOM 0 HG22 ILE A 45 25.459 21.263 -11.598 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.857 22.996 -11.535 1.00 0.00 H new ATOM 0 HD11 ILE A 45 25.888 24.014 -15.836 1.00 0.00 H new ATOM 0 HD12 ILE A 45 25.777 22.238 -15.774 1.00 0.00 H new ATOM 0 HD13 ILE A 45 24.792 23.231 -14.673 1.00 0.00 H new ATOM 689 N ARG A 46 29.233 20.725 -14.312 1.00 0.00 N ATOM 690 CA ARG A 46 30.126 19.891 -15.133 1.00 0.00 C ATOM 691 C ARG A 46 29.609 18.504 -15.518 1.00 0.00 C ATOM 692 O ARG A 46 30.151 17.878 -16.429 1.00 0.00 O ATOM 693 CB ARG A 46 31.543 19.872 -14.536 1.00 0.00 C ATOM 694 CG ARG A 46 32.144 21.284 -14.466 1.00 0.00 C ATOM 695 CD ARG A 46 33.378 21.291 -13.570 1.00 0.00 C ATOM 696 NE ARG A 46 33.891 22.667 -13.427 1.00 0.00 N ATOM 697 CZ ARG A 46 35.049 23.049 -12.927 1.00 0.00 C ATOM 698 NH1 ARG A 46 35.924 22.200 -12.469 1.00 0.00 N ATOM 699 NH2 ARG A 46 35.340 24.318 -12.879 1.00 0.00 N ATOM 0 H ARG A 46 28.933 21.560 -14.815 1.00 0.00 H new ATOM 0 HA ARG A 46 30.158 20.384 -16.104 1.00 0.00 H new ATOM 0 HB2 ARG A 46 31.512 19.439 -13.536 1.00 0.00 H new ATOM 0 HB3 ARG A 46 32.185 19.232 -15.141 1.00 0.00 H new ATOM 0 HG2 ARG A 46 32.411 21.623 -15.467 1.00 0.00 H new ATOM 0 HG3 ARG A 46 31.402 21.983 -14.080 1.00 0.00 H new ATOM 0 HD2 ARG A 46 33.128 20.884 -12.590 1.00 0.00 H new ATOM 0 HD3 ARG A 46 34.150 20.649 -13.995 1.00 0.00 H new ATOM 0 HE ARG A 46 33.276 23.412 -13.754 1.00 0.00 H new ATOM 0 HH11 ARG A 46 35.724 21.200 -12.490 1.00 0.00 H new ATOM 0 HH12 ARG A 46 36.810 22.535 -12.090 1.00 0.00 H new ATOM 0 HH21 ARG A 46 34.674 25.008 -13.227 1.00 0.00 H new ATOM 0 HH22 ARG A 46 36.234 24.622 -12.494 1.00 0.00 H new ATOM 713 N ASP A 47 28.530 18.060 -14.883 1.00 0.00 N ATOM 714 CA ASP A 47 27.858 16.783 -15.193 1.00 0.00 C ATOM 715 C ASP A 47 26.358 16.790 -14.836 1.00 0.00 C ATOM 716 O ASP A 47 25.560 16.109 -15.480 1.00 0.00 O ATOM 717 CB ASP A 47 28.570 15.647 -14.434 1.00 0.00 C ATOM 718 CG ASP A 47 28.226 14.235 -14.952 1.00 0.00 C ATOM 719 OD1 ASP A 47 27.870 14.070 -16.144 1.00 0.00 O ATOM 720 OD2 ASP A 47 28.385 13.264 -14.176 1.00 0.00 O ATOM 0 H ASP A 47 28.083 18.577 -14.126 1.00 0.00 H new ATOM 0 HA ASP A 47 27.922 16.630 -16.270 1.00 0.00 H new ATOM 0 HB2 ASP A 47 29.647 15.796 -14.504 1.00 0.00 H new ATOM 0 HB3 ASP A 47 28.308 15.709 -13.378 1.00 0.00 H new ATOM 725 N ALA A 48 25.955 17.589 -13.840 1.00 0.00 N ATOM 726 CA ALA A 48 24.556 17.769 -13.464 1.00 0.00 C ATOM 727 C ALA A 48 23.828 18.815 -14.323 1.00 0.00 C ATOM 728 O ALA A 48 24.432 19.776 -14.807 1.00 0.00 O ATOM 729 CB ALA A 48 24.476 18.165 -11.991 1.00 0.00 C ATOM 0 H ALA A 48 26.602 18.133 -13.269 1.00 0.00 H new ATOM 0 HA ALA A 48 24.052 16.818 -13.636 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.432 18.300 -11.707 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.920 17.380 -11.379 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.018 19.098 -11.835 1.00 0.00 H new ATOM 735 N ARG A 49 22.503 18.670 -14.425 1.00 0.00 N ATOM 736 CA ARG A 49 21.594 19.662 -15.009 1.00 0.00 C ATOM 737 C ARG A 49 21.505 20.897 -14.118 1.00 0.00 C ATOM 738 O ARG A 49 21.776 22.002 -14.591 1.00 0.00 O ATOM 739 CB ARG A 49 20.206 19.023 -15.246 1.00 0.00 C ATOM 740 CG ARG A 49 19.779 18.979 -16.720 1.00 0.00 C ATOM 741 CD ARG A 49 20.785 18.344 -17.698 1.00 0.00 C ATOM 742 NE ARG A 49 21.388 17.090 -17.194 1.00 0.00 N ATOM 743 CZ ARG A 49 22.165 16.256 -17.858 1.00 0.00 C ATOM 744 NH1 ARG A 49 22.397 16.385 -19.134 1.00 0.00 N ATOM 745 NH2 ARG A 49 22.734 15.272 -17.229 1.00 0.00 N ATOM 0 H ARG A 49 22.019 17.835 -14.094 1.00 0.00 H new ATOM 0 HA ARG A 49 21.985 19.988 -15.973 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.213 18.007 -14.851 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.460 19.580 -14.679 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.840 18.430 -16.789 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.577 19.998 -17.049 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.282 18.141 -18.643 1.00 0.00 H new ATOM 0 HD3 ARG A 49 21.579 19.061 -17.907 1.00 0.00 H new ATOM 0 HE ARG A 49 21.180 16.843 -16.226 1.00 0.00 H new ATOM 0 HH11 ARG A 49 21.972 17.152 -19.655 1.00 0.00 H new ATOM 0 HH12 ARG A 49 23.004 15.719 -19.612 1.00 0.00 H new ATOM 0 HH21 ARG A 49 22.579 15.148 -16.229 1.00 0.00 H new ATOM 0 HH22 ARG A 49 23.336 14.623 -17.736 1.00 0.00 H new ATOM 759 N TYR A 50 21.163 20.717 -12.836 1.00 0.00 N ATOM 760 CA TYR A 50 20.836 21.824 -11.928 1.00 0.00 C ATOM 761 C TYR A 50 21.580 21.710 -10.586 1.00 0.00 C ATOM 762 O TYR A 50 21.584 20.642 -9.977 1.00 0.00 O ATOM 763 CB TYR A 50 19.308 21.832 -11.688 1.00 0.00 C ATOM 764 CG TYR A 50 18.429 21.505 -12.888 1.00 0.00 C ATOM 765 CD1 TYR A 50 18.615 22.175 -14.113 1.00 0.00 C ATOM 766 CD2 TYR A 50 17.412 20.536 -12.779 1.00 0.00 C ATOM 767 CE1 TYR A 50 17.807 21.875 -15.226 1.00 0.00 C ATOM 768 CE2 TYR A 50 16.595 20.234 -13.886 1.00 0.00 C ATOM 769 CZ TYR A 50 16.792 20.899 -15.113 1.00 0.00 C ATOM 770 OH TYR A 50 16.002 20.599 -16.180 1.00 0.00 O ATOM 0 H TYR A 50 21.105 19.798 -12.398 1.00 0.00 H new ATOM 0 HA TYR A 50 21.155 22.757 -12.392 1.00 0.00 H new ATOM 0 HB2 TYR A 50 19.083 21.117 -10.896 1.00 0.00 H new ATOM 0 HB3 TYR A 50 19.026 22.818 -11.317 1.00 0.00 H new ATOM 0 HD1 TYR A 50 19.386 22.927 -14.199 1.00 0.00 H new ATOM 0 HD2 TYR A 50 17.258 20.022 -11.842 1.00 0.00 H new ATOM 0 HE1 TYR A 50 17.963 22.389 -16.163 1.00 0.00 H new ATOM 0 HE2 TYR A 50 15.816 19.491 -13.794 1.00 0.00 H new ATOM 0 HH TYR A 50 15.358 19.905 -15.926 1.00 0.00 H new ATOM 780 N ALA A 51 22.188 22.798 -10.096 1.00 0.00 N ATOM 781 CA ALA A 51 22.726 22.881 -8.729 1.00 0.00 C ATOM 782 C ALA A 51 21.842 23.816 -7.882 1.00 0.00 C ATOM 783 O ALA A 51 21.353 24.826 -8.386 1.00 0.00 O ATOM 784 CB ALA A 51 24.189 23.336 -8.766 1.00 0.00 C ATOM 0 H ALA A 51 22.322 23.651 -10.639 1.00 0.00 H new ATOM 0 HA ALA A 51 22.708 21.897 -8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 51 24.578 23.394 -7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.778 22.620 -9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 51 24.253 24.318 -9.236 1.00 0.00 H new ATOM 790 N VAL A 52 21.612 23.491 -6.608 1.00 0.00 N ATOM 791 CA VAL A 52 20.656 24.186 -5.724 1.00 0.00 C ATOM 792 C VAL A 52 21.268 24.383 -4.335 1.00 0.00 C ATOM 793 O VAL A 52 21.973 23.512 -3.823 1.00 0.00 O ATOM 794 CB VAL A 52 19.311 23.425 -5.673 1.00 0.00 C ATOM 795 CG1 VAL A 52 18.332 24.023 -4.651 1.00 0.00 C ATOM 796 CG2 VAL A 52 18.625 23.419 -7.046 1.00 0.00 C ATOM 0 H VAL A 52 22.094 22.720 -6.145 1.00 0.00 H new ATOM 0 HA VAL A 52 20.445 25.176 -6.129 1.00 0.00 H new ATOM 0 HB VAL A 52 19.559 22.408 -5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.405 23.450 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.776 23.984 -3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 52 18.120 25.059 -4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.682 22.877 -6.979 1.00 0.00 H new ATOM 0 HG22 VAL A 52 18.432 24.445 -7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 52 19.273 22.931 -7.774 1.00 0.00 H new ATOM 806 N ILE A 53 21.005 25.536 -3.712 1.00 0.00 N ATOM 807 CA ILE A 53 21.672 25.987 -2.480 1.00 0.00 C ATOM 808 C ILE A 53 20.733 26.212 -1.294 1.00 0.00 C ATOM 809 O ILE A 53 19.745 26.933 -1.400 1.00 0.00 O ATOM 810 CB ILE A 53 22.531 27.234 -2.825 1.00 0.00 C ATOM 811 CG1 ILE A 53 23.987 26.810 -3.088 1.00 0.00 C ATOM 812 CG2 ILE A 53 22.483 28.412 -1.823 1.00 0.00 C ATOM 813 CD1 ILE A 53 24.701 26.234 -1.858 1.00 0.00 C ATOM 0 H ILE A 53 20.309 26.198 -4.055 1.00 0.00 H new ATOM 0 HA ILE A 53 22.315 25.182 -2.125 1.00 0.00 H new ATOM 0 HB ILE A 53 22.066 27.641 -3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 53 24.000 26.066 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 53 24.546 27.673 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 53 23.124 29.218 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.459 28.774 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 53 22.832 28.074 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 53 25.721 25.959 -2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.722 26.983 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 53 24.167 25.350 -1.508 1.00 0.00 H new ATOM 825 N ARG A 54 21.114 25.664 -0.133 1.00 0.00 N ATOM 826 CA ARG A 54 20.481 25.890 1.178 1.00 0.00 C ATOM 827 C ARG A 54 21.554 26.230 2.224 1.00 0.00 C ATOM 828 O ARG A 54 21.964 25.395 3.024 1.00 0.00 O ATOM 829 CB ARG A 54 19.679 24.634 1.574 1.00 0.00 C ATOM 830 CG ARG A 54 18.569 24.197 0.601 1.00 0.00 C ATOM 831 CD ARG A 54 17.417 25.201 0.525 1.00 0.00 C ATOM 832 NE ARG A 54 16.372 24.746 -0.417 1.00 0.00 N ATOM 833 CZ ARG A 54 15.190 25.304 -0.618 1.00 0.00 C ATOM 834 NH1 ARG A 54 14.810 26.369 0.030 1.00 0.00 N ATOM 835 NH2 ARG A 54 14.361 24.795 -1.484 1.00 0.00 N ATOM 0 H ARG A 54 21.906 25.023 -0.076 1.00 0.00 H new ATOM 0 HA ARG A 54 19.794 26.734 1.124 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.377 23.805 1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.228 24.810 2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.995 24.065 -0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.180 23.228 0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.983 25.336 1.516 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.798 26.172 0.208 1.00 0.00 H new ATOM 0 HE ARG A 54 16.585 23.915 -0.969 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.431 26.797 0.716 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.891 26.774 -0.149 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.622 23.962 -2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.451 25.230 -1.635 1.00 0.00 H new ATOM 849 N ILE A 55 22.046 27.466 2.203 1.00 0.00 N ATOM 850 CA ILE A 55 22.945 28.008 3.244 1.00 0.00 C ATOM 851 C ILE A 55 22.108 28.786 4.281 1.00 0.00 C ATOM 852 O ILE A 55 21.372 29.691 3.881 1.00 0.00 O ATOM 853 CB ILE A 55 24.031 28.914 2.618 1.00 0.00 C ATOM 854 CG1 ILE A 55 24.977 28.144 1.674 1.00 0.00 C ATOM 855 CG2 ILE A 55 24.875 29.601 3.709 1.00 0.00 C ATOM 856 CD1 ILE A 55 25.490 29.022 0.538 1.00 0.00 C ATOM 0 H ILE A 55 21.836 28.133 1.461 1.00 0.00 H new ATOM 0 HA ILE A 55 23.456 27.184 3.742 1.00 0.00 H new ATOM 0 HB ILE A 55 23.495 29.661 2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.822 27.758 2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.453 27.283 1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.631 30.232 3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.229 30.214 4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.364 28.844 4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.152 28.439 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.647 29.387 -0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.038 29.869 0.952 1.00 0.00 H new ATOM 868 N PRO A 56 22.231 28.512 5.596 1.00 0.00 N ATOM 869 CA PRO A 56 21.570 29.310 6.630 1.00 0.00 C ATOM 870 C PRO A 56 21.985 30.792 6.592 1.00 0.00 C ATOM 871 O PRO A 56 23.167 31.125 6.493 1.00 0.00 O ATOM 872 CB PRO A 56 21.933 28.652 7.966 1.00 0.00 C ATOM 873 CG PRO A 56 22.245 27.207 7.579 1.00 0.00 C ATOM 874 CD PRO A 56 22.877 27.354 6.197 1.00 0.00 C ATOM 0 HA PRO A 56 20.492 29.323 6.472 1.00 0.00 H new ATOM 0 HB2 PRO A 56 22.791 29.137 8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 56 21.109 28.708 8.678 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.927 26.737 8.287 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.345 26.593 7.549 1.00 0.00 H new ATOM 0 HD2 PRO A 56 23.955 27.500 6.272 1.00 0.00 H new ATOM 0 HD3 PRO A 56 22.718 26.459 5.595 1.00 0.00 H new ATOM 882 N GLY A 57 21.001 31.690 6.683 1.00 0.00 N ATOM 883 CA GLY A 57 21.195 33.146 6.732 1.00 0.00 C ATOM 884 C GLY A 57 21.302 33.858 5.374 1.00 0.00 C ATOM 885 O GLY A 57 21.446 35.082 5.355 1.00 0.00 O ATOM 0 H GLY A 57 20.019 31.419 6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 57 20.365 33.585 7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 57 22.102 33.353 7.301 1.00 0.00 H new ATOM 889 N GLN A 58 21.213 33.136 4.247 1.00 0.00 N ATOM 890 CA GLN A 58 21.167 33.719 2.893 1.00 0.00 C ATOM 891 C GLN A 58 20.113 33.027 1.995 1.00 0.00 C ATOM 892 O GLN A 58 19.727 31.886 2.276 1.00 0.00 O ATOM 893 CB GLN A 58 22.594 33.732 2.307 1.00 0.00 C ATOM 894 CG GLN A 58 23.077 32.403 1.722 1.00 0.00 C ATOM 895 CD GLN A 58 24.566 32.459 1.372 1.00 0.00 C ATOM 896 OE1 GLN A 58 24.982 32.358 0.225 1.00 0.00 O ATOM 897 NE2 GLN A 58 25.429 32.624 2.354 1.00 0.00 N ATOM 0 H GLN A 58 21.170 32.117 4.248 1.00 0.00 H new ATOM 0 HA GLN A 58 20.826 34.753 2.945 1.00 0.00 H new ATOM 0 HB2 GLN A 58 22.641 34.491 1.526 1.00 0.00 H new ATOM 0 HB3 GLN A 58 23.287 34.038 3.091 1.00 0.00 H new ATOM 0 HG2 GLN A 58 22.900 31.601 2.439 1.00 0.00 H new ATOM 0 HG3 GLN A 58 22.500 32.165 0.829 1.00 0.00 H new ATOM 0 HE21 GLN A 58 25.098 32.710 3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 58 26.428 32.666 2.153 1.00 0.00 H new ATOM 906 N PRO A 59 19.612 33.688 0.933 1.00 0.00 N ATOM 907 CA PRO A 59 18.523 33.157 0.110 1.00 0.00 C ATOM 908 C PRO A 59 18.946 31.949 -0.742 1.00 0.00 C ATOM 909 O PRO A 59 20.098 31.828 -1.166 1.00 0.00 O ATOM 910 CB PRO A 59 18.053 34.334 -0.754 1.00 0.00 C ATOM 911 CG PRO A 59 19.309 35.193 -0.887 1.00 0.00 C ATOM 912 CD PRO A 59 19.986 35.019 0.471 1.00 0.00 C ATOM 0 HA PRO A 59 17.720 32.769 0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 59 17.689 34.000 -1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 59 17.239 34.882 -0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 59 19.947 34.853 -1.703 1.00 0.00 H new ATOM 0 HG3 PRO A 59 19.066 36.237 -1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.068 35.113 0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 59 19.656 35.784 1.174 1.00 0.00 H new ATOM 920 N VAL A 60 17.982 31.066 -1.029 1.00 0.00 N ATOM 921 CA VAL A 60 18.144 29.931 -1.957 1.00 0.00 C ATOM 922 C VAL A 60 18.549 30.406 -3.361 1.00 0.00 C ATOM 923 O VAL A 60 17.943 31.317 -3.932 1.00 0.00 O ATOM 924 CB VAL A 60 16.883 29.032 -1.981 1.00 0.00 C ATOM 925 CG1 VAL A 60 15.568 29.797 -2.201 1.00 0.00 C ATOM 926 CG2 VAL A 60 16.945 27.927 -3.046 1.00 0.00 C ATOM 0 H VAL A 60 17.050 31.118 -0.618 1.00 0.00 H new ATOM 0 HA VAL A 60 18.962 29.314 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 60 16.884 28.596 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.735 29.094 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 60 15.429 30.521 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 60 15.606 30.319 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 60 16.031 27.334 -3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 60 17.045 28.378 -4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 60 17.803 27.283 -2.853 1.00 0.00 H new ATOM 936 N VAL A 61 19.569 29.753 -3.923 1.00 0.00 N ATOM 937 CA VAL A 61 20.008 29.889 -5.327 1.00 0.00 C ATOM 938 C VAL A 61 19.696 28.592 -6.077 1.00 0.00 C ATOM 939 O VAL A 61 19.851 27.506 -5.519 1.00 0.00 O ATOM 940 CB VAL A 61 21.505 30.264 -5.400 1.00 0.00 C ATOM 941 CG1 VAL A 61 22.056 30.303 -6.832 1.00 0.00 C ATOM 942 CG2 VAL A 61 21.755 31.637 -4.766 1.00 0.00 C ATOM 0 H VAL A 61 20.138 29.088 -3.399 1.00 0.00 H new ATOM 0 HA VAL A 61 19.463 30.701 -5.808 1.00 0.00 H new ATOM 0 HB VAL A 61 22.023 29.477 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.112 30.573 -6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 61 21.942 29.322 -7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.506 31.042 -7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 61 22.816 31.879 -4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 61 21.178 32.394 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.449 31.616 -3.720 1.00 0.00 H new ATOM 952 N GLU A 62 19.273 28.690 -7.340 1.00 0.00 N ATOM 953 CA GLU A 62 18.952 27.552 -8.216 1.00 0.00 C ATOM 954 C GLU A 62 19.563 27.799 -9.608 1.00 0.00 C ATOM 955 O GLU A 62 19.223 28.774 -10.282 1.00 0.00 O ATOM 956 CB GLU A 62 17.425 27.370 -8.331 1.00 0.00 C ATOM 957 CG GLU A 62 16.728 27.103 -6.990 1.00 0.00 C ATOM 958 CD GLU A 62 15.206 26.952 -7.164 1.00 0.00 C ATOM 959 OE1 GLU A 62 14.500 27.973 -7.348 1.00 0.00 O ATOM 960 OE2 GLU A 62 14.680 25.815 -7.086 1.00 0.00 O ATOM 0 H GLU A 62 19.139 29.591 -7.799 1.00 0.00 H new ATOM 0 HA GLU A 62 19.371 26.641 -7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.995 28.265 -8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.218 26.542 -9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.135 26.197 -6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.937 27.922 -6.301 1.00 0.00 H new ATOM 967 N VAL A 63 20.482 26.932 -10.040 1.00 0.00 N ATOM 968 CA VAL A 63 21.225 27.010 -11.308 1.00 0.00 C ATOM 969 C VAL A 63 20.513 26.223 -12.417 1.00 0.00 C ATOM 970 O VAL A 63 19.827 25.238 -12.139 1.00 0.00 O ATOM 971 CB VAL A 63 22.639 26.460 -11.065 1.00 0.00 C ATOM 972 CG1 VAL A 63 23.564 26.539 -12.275 1.00 0.00 C ATOM 973 CG2 VAL A 63 23.368 27.147 -9.903 1.00 0.00 C ATOM 0 H VAL A 63 20.744 26.114 -9.490 1.00 0.00 H new ATOM 0 HA VAL A 63 21.279 28.046 -11.641 1.00 0.00 H new ATOM 0 HB VAL A 63 22.442 25.414 -10.828 1.00 0.00 H new ATOM 0 HG11 VAL A 63 24.540 26.130 -12.014 1.00 0.00 H new ATOM 0 HG12 VAL A 63 23.137 25.964 -13.097 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.677 27.580 -12.580 1.00 0.00 H new ATOM 0 HG21 VAL A 63 24.360 26.710 -9.787 1.00 0.00 H new ATOM 0 HG22 VAL A 63 23.463 28.213 -10.112 1.00 0.00 H new ATOM 0 HG23 VAL A 63 22.800 27.007 -8.983 1.00 0.00 H new ATOM 983 N GLY A 64 20.712 26.596 -13.686 1.00 0.00 N ATOM 984 CA GLY A 64 20.159 25.869 -14.833 1.00 0.00 C ATOM 985 C GLY A 64 18.659 26.122 -15.019 1.00 0.00 C ATOM 986 O GLY A 64 18.273 27.177 -15.532 1.00 0.00 O ATOM 0 H GLY A 64 21.263 27.414 -13.947 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.689 26.166 -15.738 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.330 24.801 -14.699 1.00 0.00 H new ATOM 990 N THR A 65 17.821 25.169 -14.595 1.00 0.00 N ATOM 991 CA THR A 65 16.347 25.262 -14.664 1.00 0.00 C ATOM 992 C THR A 65 15.722 24.586 -13.437 1.00 0.00 C ATOM 993 O THR A 65 16.262 23.620 -12.909 1.00 0.00 O ATOM 994 CB THR A 65 15.779 24.620 -15.953 1.00 0.00 C ATOM 995 OG1 THR A 65 16.513 25.003 -17.101 1.00 0.00 O ATOM 996 CG2 THR A 65 14.327 25.020 -16.229 1.00 0.00 C ATOM 0 H THR A 65 18.148 24.294 -14.186 1.00 0.00 H new ATOM 0 HA THR A 65 16.090 26.321 -14.680 1.00 0.00 H new ATOM 0 HB THR A 65 15.850 23.547 -15.773 1.00 0.00 H new ATOM 0 HG1 THR A 65 16.126 24.577 -17.894 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.985 24.539 -17.145 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.698 24.704 -15.397 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.263 26.102 -16.342 1.00 0.00 H new ATOM 1004 N LYS A 66 14.576 25.072 -12.957 1.00 0.00 N ATOM 1005 CA LYS A 66 13.876 24.484 -11.807 1.00 0.00 C ATOM 1006 C LYS A 66 13.262 23.112 -12.173 1.00 0.00 C ATOM 1007 O LYS A 66 12.508 23.036 -13.151 1.00 0.00 O ATOM 1008 CB LYS A 66 12.825 25.477 -11.279 1.00 0.00 C ATOM 1009 CG LYS A 66 12.323 25.078 -9.885 1.00 0.00 C ATOM 1010 CD LYS A 66 11.280 26.079 -9.369 1.00 0.00 C ATOM 1011 CE LYS A 66 10.899 25.793 -7.910 1.00 0.00 C ATOM 1012 NZ LYS A 66 11.928 26.289 -6.955 1.00 0.00 N ATOM 0 H LYS A 66 14.104 25.885 -13.353 1.00 0.00 H new ATOM 0 HA LYS A 66 14.591 24.296 -11.006 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.256 26.477 -11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.984 25.520 -11.971 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.887 24.080 -9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.163 25.032 -9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.674 27.092 -9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.389 26.032 -9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.941 26.263 -7.687 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.766 24.720 -7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.691 25.972 -5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.860 25.914 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.953 27.328 -6.981 1.00 0.00 H new ATOM 1026 N PRO A 67 13.560 22.031 -11.425 1.00 0.00 N ATOM 1027 CA PRO A 67 13.133 20.671 -11.746 1.00 0.00 C ATOM 1028 C PRO A 67 11.665 20.360 -11.413 1.00 0.00 C ATOM 1029 O PRO A 67 11.054 20.948 -10.520 1.00 0.00 O ATOM 1030 CB PRO A 67 14.064 19.753 -10.966 1.00 0.00 C ATOM 1031 CG PRO A 67 14.477 20.587 -9.764 1.00 0.00 C ATOM 1032 CD PRO A 67 14.488 22.010 -10.309 1.00 0.00 C ATOM 0 HA PRO A 67 13.191 20.528 -12.825 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.559 18.836 -10.662 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.927 19.458 -11.563 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.773 20.478 -8.939 1.00 0.00 H new ATOM 0 HG3 PRO A 67 15.457 20.293 -9.388 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.187 22.722 -9.541 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.490 22.294 -10.632 1.00 0.00 H new ATOM 1040 N THR A 68 11.129 19.373 -12.138 1.00 0.00 N ATOM 1041 CA THR A 68 9.678 19.067 -12.142 1.00 0.00 C ATOM 1042 C THR A 68 9.187 18.142 -11.013 1.00 0.00 C ATOM 1043 O THR A 68 8.053 18.279 -10.544 1.00 0.00 O ATOM 1044 CB THR A 68 9.280 18.544 -13.538 1.00 0.00 C ATOM 1045 OG1 THR A 68 7.881 18.441 -13.664 1.00 0.00 O ATOM 1046 CG2 THR A 68 9.888 17.180 -13.877 1.00 0.00 C ATOM 0 H THR A 68 11.679 18.760 -12.740 1.00 0.00 H new ATOM 0 HA THR A 68 9.165 20.004 -11.926 1.00 0.00 H new ATOM 0 HB THR A 68 9.678 19.279 -14.237 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.657 18.109 -14.558 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.565 16.875 -14.873 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.975 17.250 -13.854 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.557 16.442 -13.146 1.00 0.00 H new ATOM 1054 N GLY A 69 10.037 17.215 -10.553 1.00 0.00 N ATOM 1055 CA GLY A 69 9.695 16.160 -9.576 1.00 0.00 C ATOM 1056 C GLY A 69 10.208 14.783 -10.004 1.00 0.00 C ATOM 1057 O GLY A 69 10.710 14.010 -9.189 1.00 0.00 O ATOM 0 H GLY A 69 11.010 17.173 -10.856 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.118 16.417 -8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.613 16.120 -9.452 1.00 0.00 H new ATOM 1061 N ASP A 70 10.165 14.511 -11.313 1.00 0.00 N ATOM 1062 CA ASP A 70 10.802 13.361 -11.965 1.00 0.00 C ATOM 1063 C ASP A 70 12.306 13.624 -12.149 1.00 0.00 C ATOM 1064 O ASP A 70 12.822 13.735 -13.265 1.00 0.00 O ATOM 1065 CB ASP A 70 10.084 12.982 -13.267 1.00 0.00 C ATOM 1066 CG ASP A 70 8.637 12.541 -13.021 1.00 0.00 C ATOM 1067 OD1 ASP A 70 8.453 11.377 -12.588 1.00 0.00 O ATOM 1068 OD2 ASP A 70 7.694 13.334 -13.266 1.00 0.00 O ATOM 0 H ASP A 70 9.667 15.109 -11.973 1.00 0.00 H new ATOM 0 HA ASP A 70 10.708 12.488 -11.319 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.092 13.835 -13.946 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.629 12.177 -13.760 1.00 0.00 H new ATOM 1073 N VAL A 71 13.000 13.772 -11.018 1.00 0.00 N ATOM 1074 CA VAL A 71 14.427 14.093 -10.931 1.00 0.00 C ATOM 1075 C VAL A 71 15.133 13.284 -9.829 1.00 0.00 C ATOM 1076 O VAL A 71 14.530 12.891 -8.828 1.00 0.00 O ATOM 1077 CB VAL A 71 14.667 15.612 -10.757 1.00 0.00 C ATOM 1078 CG1 VAL A 71 14.197 16.428 -11.981 1.00 0.00 C ATOM 1079 CG2 VAL A 71 14.029 16.183 -9.485 1.00 0.00 C ATOM 0 H VAL A 71 12.566 13.667 -10.101 1.00 0.00 H new ATOM 0 HA VAL A 71 14.872 13.800 -11.882 1.00 0.00 H new ATOM 0 HB VAL A 71 15.748 15.712 -10.664 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.388 17.487 -11.807 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.742 16.101 -12.867 1.00 0.00 H new ATOM 0 HG13 VAL A 71 13.129 16.272 -12.134 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.234 17.252 -9.423 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.951 16.022 -9.514 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.447 15.682 -8.612 1.00 0.00 H new ATOM 1089 N LEU A 72 16.430 13.042 -10.023 1.00 0.00 N ATOM 1090 CA LEU A 72 17.374 12.467 -9.058 1.00 0.00 C ATOM 1091 C LEU A 72 17.933 13.579 -8.185 1.00 0.00 C ATOM 1092 O LEU A 72 18.242 14.649 -8.710 1.00 0.00 O ATOM 1093 CB LEU A 72 18.562 11.840 -9.808 1.00 0.00 C ATOM 1094 CG LEU A 72 18.169 10.675 -10.709 1.00 0.00 C ATOM 1095 CD1 LEU A 72 19.231 10.430 -11.780 1.00 0.00 C ATOM 1096 CD2 LEU A 72 18.008 9.405 -9.883 1.00 0.00 C ATOM 0 H LEU A 72 16.880 13.255 -10.913 1.00 0.00 H new ATOM 0 HA LEU A 72 16.854 11.718 -8.461 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.046 12.608 -10.412 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.298 11.495 -9.082 1.00 0.00 H new ATOM 0 HG LEU A 72 17.225 10.931 -11.191 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.927 9.594 -12.410 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.342 11.324 -12.393 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.183 10.197 -11.302 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.727 8.579 -10.537 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.950 9.171 -9.387 1.00 0.00 H new ATOM 0 HD23 LEU A 72 17.231 9.555 -9.133 1.00 0.00 H new ATOM 1108 N GLN A 73 18.126 13.331 -6.891 1.00 0.00 N ATOM 1109 CA GLN A 73 18.603 14.353 -5.949 1.00 0.00 C ATOM 1110 C GLN A 73 19.910 13.939 -5.260 1.00 0.00 C ATOM 1111 O GLN A 73 19.925 13.034 -4.426 1.00 0.00 O ATOM 1112 CB GLN A 73 17.501 14.641 -4.915 1.00 0.00 C ATOM 1113 CG GLN A 73 16.299 15.371 -5.537 1.00 0.00 C ATOM 1114 CD GLN A 73 15.335 15.930 -4.489 1.00 0.00 C ATOM 1115 OE1 GLN A 73 15.096 15.353 -3.434 1.00 0.00 O ATOM 1116 NE2 GLN A 73 14.742 17.077 -4.736 1.00 0.00 N ATOM 0 H GLN A 73 17.958 12.421 -6.463 1.00 0.00 H new ATOM 0 HA GLN A 73 18.824 15.261 -6.510 1.00 0.00 H new ATOM 0 HB2 GLN A 73 17.165 13.703 -4.473 1.00 0.00 H new ATOM 0 HB3 GLN A 73 17.912 15.245 -4.106 1.00 0.00 H new ATOM 0 HG2 GLN A 73 16.660 16.187 -6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.760 14.683 -6.189 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.929 17.570 -5.609 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.095 17.473 -4.055 1.00 0.00 H new ATOM 1125 N GLY A 74 21.011 14.612 -5.595 1.00 0.00 N ATOM 1126 CA GLY A 74 22.296 14.517 -4.893 1.00 0.00 C ATOM 1127 C GLY A 74 22.329 15.550 -3.771 1.00 0.00 C ATOM 1128 O GLY A 74 21.794 16.641 -3.957 1.00 0.00 O ATOM 0 H GLY A 74 21.037 15.257 -6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.429 13.515 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.118 14.690 -5.588 1.00 0.00 H new ATOM 1132 N ARG A 75 22.923 15.254 -2.610 1.00 0.00 N ATOM 1133 CA ARG A 75 22.805 16.109 -1.409 1.00 0.00 C ATOM 1134 C ARG A 75 23.999 15.971 -0.455 1.00 0.00 C ATOM 1135 O ARG A 75 24.432 14.861 -0.152 1.00 0.00 O ATOM 1136 CB ARG A 75 21.479 15.778 -0.694 1.00 0.00 C ATOM 1137 CG ARG A 75 21.113 16.793 0.402 1.00 0.00 C ATOM 1138 CD ARG A 75 19.762 16.428 1.032 1.00 0.00 C ATOM 1139 NE ARG A 75 19.389 17.363 2.115 1.00 0.00 N ATOM 1140 CZ ARG A 75 19.732 17.297 3.390 1.00 0.00 C ATOM 1141 NH1 ARG A 75 20.539 16.382 3.851 1.00 0.00 N ATOM 1142 NH2 ARG A 75 19.261 18.163 4.242 1.00 0.00 N ATOM 0 H ARG A 75 23.497 14.422 -2.470 1.00 0.00 H new ATOM 0 HA ARG A 75 22.807 17.150 -1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.676 15.742 -1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.550 14.785 -0.251 1.00 0.00 H new ATOM 0 HG2 ARG A 75 21.888 16.807 1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.066 17.796 -0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 75 18.989 16.435 0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.808 15.413 1.428 1.00 0.00 H new ATOM 0 HE ARG A 75 18.798 18.150 1.847 1.00 0.00 H new ATOM 0 HH11 ARG A 75 20.930 15.683 3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 75 20.779 16.366 4.842 1.00 0.00 H new ATOM 0 HH21 ARG A 75 18.625 18.895 3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 75 19.528 18.109 5.225 1.00 0.00 H new ATOM 1156 N ALA A 76 24.502 17.109 0.023 1.00 0.00 N ATOM 1157 CA ALA A 76 25.693 17.198 0.876 1.00 0.00 C ATOM 1158 C ALA A 76 25.591 18.273 1.969 1.00 0.00 C ATOM 1159 O ALA A 76 24.806 19.216 1.867 1.00 0.00 O ATOM 1160 CB ALA A 76 26.898 17.433 -0.043 1.00 0.00 C ATOM 0 H ALA A 76 24.084 18.018 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 76 25.802 16.265 1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 76 27.805 17.505 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.990 16.602 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.756 18.360 -0.599 1.00 0.00 H new ATOM 1166 N THR A 77 26.443 18.152 2.993 1.00 0.00 N ATOM 1167 CA THR A 77 26.635 19.159 4.053 1.00 0.00 C ATOM 1168 C THR A 77 28.038 19.755 3.916 1.00 0.00 C ATOM 1169 O THR A 77 29.020 19.017 3.822 1.00 0.00 O ATOM 1170 CB THR A 77 26.441 18.542 5.448 1.00 0.00 C ATOM 1171 OG1 THR A 77 25.155 17.965 5.551 1.00 0.00 O ATOM 1172 CG2 THR A 77 26.557 19.573 6.574 1.00 0.00 C ATOM 0 H THR A 77 27.036 17.331 3.114 1.00 0.00 H new ATOM 0 HA THR A 77 25.888 19.945 3.941 1.00 0.00 H new ATOM 0 HB THR A 77 27.231 17.799 5.558 1.00 0.00 H new ATOM 0 HG1 THR A 77 25.043 17.574 6.442 1.00 0.00 H new ATOM 0 HG21 THR A 77 26.411 19.080 7.535 1.00 0.00 H new ATOM 0 HG22 THR A 77 27.546 20.031 6.547 1.00 0.00 H new ATOM 0 HG23 THR A 77 25.797 20.343 6.442 1.00 0.00 H new ATOM 1180 N GLY A 78 28.131 21.083 3.870 1.00 0.00 N ATOM 1181 CA GLY A 78 29.389 21.815 3.711 1.00 0.00 C ATOM 1182 C GLY A 78 30.097 22.180 5.023 1.00 0.00 C ATOM 1183 O GLY A 78 29.598 21.944 6.128 1.00 0.00 O ATOM 0 H GLY A 78 27.318 21.694 3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 78 30.067 21.215 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 78 29.191 22.732 3.155 1.00 0.00 H new ATOM 1187 N GLU A 79 31.296 22.744 4.882 1.00 0.00 N ATOM 1188 CA GLU A 79 32.234 22.969 5.990 1.00 0.00 C ATOM 1189 C GLU A 79 31.951 24.205 6.873 1.00 0.00 C ATOM 1190 O GLU A 79 32.533 24.287 7.959 1.00 0.00 O ATOM 1191 CB GLU A 79 33.671 22.996 5.444 1.00 0.00 C ATOM 1192 CG GLU A 79 34.146 21.667 4.838 1.00 0.00 C ATOM 1193 CD GLU A 79 34.271 20.559 5.903 1.00 0.00 C ATOM 1194 OE1 GLU A 79 35.293 20.527 6.634 1.00 0.00 O ATOM 1195 OE2 GLU A 79 33.357 19.707 6.015 1.00 0.00 O ATOM 0 H GLU A 79 31.652 23.064 3.981 1.00 0.00 H new ATOM 0 HA GLU A 79 32.091 22.129 6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 79 33.743 23.774 4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 79 34.348 23.275 6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 79 33.446 21.350 4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 79 35.111 21.814 4.353 1.00 0.00 H new ATOM 1202 N GLU A 80 31.053 25.128 6.494 1.00 0.00 N ATOM 1203 CA GLU A 80 30.587 26.202 7.396 1.00 0.00 C ATOM 1204 C GLU A 80 29.204 25.899 8.002 1.00 0.00 C ATOM 1205 O GLU A 80 28.625 26.727 8.713 1.00 0.00 O ATOM 1206 CB GLU A 80 30.530 27.527 6.649 1.00 0.00 C ATOM 1207 CG GLU A 80 31.862 27.964 6.045 1.00 0.00 C ATOM 1208 CD GLU A 80 32.834 28.510 7.110 1.00 0.00 C ATOM 1209 OE1 GLU A 80 32.785 29.730 7.406 1.00 0.00 O ATOM 1210 OE2 GLU A 80 33.651 27.738 7.668 1.00 0.00 O ATOM 0 H GLU A 80 30.632 25.155 5.566 1.00 0.00 H new ATOM 0 HA GLU A 80 31.304 26.263 8.214 1.00 0.00 H new ATOM 0 HB2 GLU A 80 29.791 27.450 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 80 30.182 28.302 7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.323 27.118 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 80 31.683 28.731 5.292 1.00 0.00 H new ATOM 1217 N GLY A 81 28.669 24.708 7.730 1.00 0.00 N ATOM 1218 CA GLY A 81 27.387 24.201 8.236 1.00 0.00 C ATOM 1219 C GLY A 81 26.214 24.365 7.263 1.00 0.00 C ATOM 1220 O GLY A 81 25.054 24.301 7.677 1.00 0.00 O ATOM 0 H GLY A 81 29.138 24.037 7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 81 27.498 23.144 8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 81 27.147 24.717 9.166 1.00 0.00 H new ATOM 1224 N GLU A 82 26.492 24.596 5.980 1.00 0.00 N ATOM 1225 CA GLU A 82 25.515 24.735 4.908 1.00 0.00 C ATOM 1226 C GLU A 82 25.048 23.395 4.317 1.00 0.00 C ATOM 1227 O GLU A 82 25.624 22.341 4.592 1.00 0.00 O ATOM 1228 CB GLU A 82 26.104 25.650 3.823 1.00 0.00 C ATOM 1229 CG GLU A 82 27.159 25.063 2.865 1.00 0.00 C ATOM 1230 CD GLU A 82 28.618 25.113 3.370 1.00 0.00 C ATOM 1231 OE1 GLU A 82 28.859 24.999 4.594 1.00 0.00 O ATOM 1232 OE2 GLU A 82 29.529 25.185 2.512 1.00 0.00 O ATOM 0 H GLU A 82 27.451 24.695 5.647 1.00 0.00 H new ATOM 0 HA GLU A 82 24.616 25.181 5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 82 25.277 26.023 3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.550 26.511 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 82 26.900 24.024 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.102 25.599 1.918 1.00 0.00 H new ATOM 1239 N THR A 83 24.049 23.445 3.433 1.00 0.00 N ATOM 1240 CA THR A 83 23.485 22.287 2.722 1.00 0.00 C ATOM 1241 C THR A 83 23.491 22.555 1.212 1.00 0.00 C ATOM 1242 O THR A 83 23.050 23.603 0.738 1.00 0.00 O ATOM 1243 CB THR A 83 22.071 21.971 3.247 1.00 0.00 C ATOM 1244 OG1 THR A 83 22.163 21.428 4.548 1.00 0.00 O ATOM 1245 CG2 THR A 83 21.289 20.962 2.399 1.00 0.00 C ATOM 0 H THR A 83 23.592 24.322 3.181 1.00 0.00 H new ATOM 0 HA THR A 83 24.101 21.408 2.909 1.00 0.00 H new ATOM 0 HB THR A 83 21.536 22.920 3.217 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.264 21.228 4.883 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.306 20.799 2.841 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.172 21.351 1.387 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.832 20.018 2.364 1.00 0.00 H new ATOM 1253 N VAL A 84 23.989 21.583 0.451 1.00 0.00 N ATOM 1254 CA VAL A 84 24.068 21.600 -1.020 1.00 0.00 C ATOM 1255 C VAL A 84 23.154 20.534 -1.604 1.00 0.00 C ATOM 1256 O VAL A 84 23.090 19.422 -1.082 1.00 0.00 O ATOM 1257 CB VAL A 84 25.524 21.418 -1.492 1.00 0.00 C ATOM 1258 CG1 VAL A 84 25.665 21.323 -3.017 1.00 0.00 C ATOM 1259 CG2 VAL A 84 26.362 22.611 -1.025 1.00 0.00 C ATOM 0 H VAL A 84 24.366 20.724 0.852 1.00 0.00 H new ATOM 0 HA VAL A 84 23.729 22.571 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 84 25.868 20.478 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 84 26.716 21.196 -3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 84 25.094 20.469 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 84 25.285 22.236 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 84 27.392 22.484 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.954 23.529 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 84 26.337 22.670 0.063 1.00 0.00 H new ATOM 1269 N LEU A 85 22.488 20.857 -2.713 1.00 0.00 N ATOM 1270 CA LEU A 85 21.632 19.951 -3.471 1.00 0.00 C ATOM 1271 C LEU A 85 22.014 19.996 -4.965 1.00 0.00 C ATOM 1272 O LEU A 85 22.439 21.022 -5.492 1.00 0.00 O ATOM 1273 CB LEU A 85 20.163 20.334 -3.187 1.00 0.00 C ATOM 1274 CG LEU A 85 19.093 19.429 -3.834 1.00 0.00 C ATOM 1275 CD1 LEU A 85 18.911 18.110 -3.085 1.00 0.00 C ATOM 1276 CD2 LEU A 85 17.734 20.117 -3.828 1.00 0.00 C ATOM 0 H LEU A 85 22.533 21.791 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 85 21.767 18.914 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 85 20.009 20.331 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 85 20.002 21.356 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 85 19.446 19.235 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 85 18.147 17.512 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.853 17.562 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.602 18.313 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 85 16.993 19.463 -4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.440 20.332 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.795 21.049 -4.391 1.00 0.00 H new ATOM 1288 N VAL A 86 21.849 18.871 -5.649 1.00 0.00 N ATOM 1289 CA VAL A 86 22.060 18.697 -7.095 1.00 0.00 C ATOM 1290 C VAL A 86 20.872 17.942 -7.663 1.00 0.00 C ATOM 1291 O VAL A 86 20.432 16.974 -7.047 1.00 0.00 O ATOM 1292 CB VAL A 86 23.364 17.937 -7.399 1.00 0.00 C ATOM 1293 CG1 VAL A 86 23.567 17.789 -8.908 1.00 0.00 C ATOM 1294 CG2 VAL A 86 24.586 18.663 -6.828 1.00 0.00 C ATOM 0 H VAL A 86 21.550 18.008 -5.195 1.00 0.00 H new ATOM 0 HA VAL A 86 22.149 19.680 -7.558 1.00 0.00 H new ATOM 0 HB VAL A 86 23.270 16.957 -6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 86 24.494 17.249 -9.099 1.00 0.00 H new ATOM 0 HG12 VAL A 86 22.730 17.236 -9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 86 23.621 18.776 -9.366 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.488 18.097 -7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.657 19.658 -7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.484 18.752 -5.746 1.00 0.00 H new ATOM 1304 N GLU A 87 20.350 18.355 -8.816 1.00 0.00 N ATOM 1305 CA GLU A 87 19.157 17.750 -9.410 1.00 0.00 C ATOM 1306 C GLU A 87 19.360 17.422 -10.902 1.00 0.00 C ATOM 1307 O GLU A 87 19.871 18.230 -11.681 1.00 0.00 O ATOM 1308 CB GLU A 87 17.900 18.584 -9.094 1.00 0.00 C ATOM 1309 CG GLU A 87 17.738 18.787 -7.573 1.00 0.00 C ATOM 1310 CD GLU A 87 16.346 19.297 -7.163 1.00 0.00 C ATOM 1311 OE1 GLU A 87 15.411 18.467 -7.059 1.00 0.00 O ATOM 1312 OE2 GLU A 87 16.196 20.513 -6.898 1.00 0.00 O ATOM 0 H GLU A 87 20.742 19.119 -9.366 1.00 0.00 H new ATOM 0 HA GLU A 87 18.985 16.780 -8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.969 19.553 -9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.018 18.084 -9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.933 17.842 -7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.491 19.495 -7.227 1.00 0.00 H new ATOM 1319 N GLU A 88 18.987 16.196 -11.274 1.00 0.00 N ATOM 1320 CA GLU A 88 19.200 15.587 -12.598 1.00 0.00 C ATOM 1321 C GLU A 88 17.905 14.944 -13.126 1.00 0.00 C ATOM 1322 O GLU A 88 17.145 14.417 -12.320 1.00 0.00 O ATOM 1323 CB GLU A 88 20.262 14.486 -12.457 1.00 0.00 C ATOM 1324 CG GLU A 88 21.722 14.909 -12.552 1.00 0.00 C ATOM 1325 CD GLU A 88 22.146 15.087 -14.005 1.00 0.00 C ATOM 1326 OE1 GLU A 88 21.699 16.054 -14.648 1.00 0.00 O ATOM 1327 OE2 GLU A 88 22.955 14.288 -14.523 1.00 0.00 O ATOM 0 H GLU A 88 18.504 15.567 -10.633 1.00 0.00 H new ATOM 0 HA GLU A 88 19.517 16.363 -13.295 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.114 13.996 -11.495 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.077 13.738 -13.227 1.00 0.00 H new ATOM 0 HG2 GLU A 88 21.870 15.843 -12.009 1.00 0.00 H new ATOM 0 HG3 GLU A 88 22.353 14.160 -12.075 1.00 0.00 H new ATOM 1334 N PRO A 89 17.637 14.899 -14.444 1.00 0.00 N ATOM 1335 CA PRO A 89 16.457 14.226 -14.993 1.00 0.00 C ATOM 1336 C PRO A 89 16.439 12.715 -14.680 1.00 0.00 C ATOM 1337 O PRO A 89 17.451 12.023 -14.845 1.00 0.00 O ATOM 1338 CB PRO A 89 16.503 14.499 -16.500 1.00 0.00 C ATOM 1339 CG PRO A 89 17.990 14.722 -16.781 1.00 0.00 C ATOM 1340 CD PRO A 89 18.469 15.422 -15.514 1.00 0.00 C ATOM 0 HA PRO A 89 15.541 14.606 -14.541 1.00 0.00 H new ATOM 0 HB2 PRO A 89 16.109 13.659 -17.072 1.00 0.00 H new ATOM 0 HB3 PRO A 89 15.909 15.373 -16.767 1.00 0.00 H new ATOM 0 HG2 PRO A 89 18.516 13.782 -16.948 1.00 0.00 H new ATOM 0 HG3 PRO A 89 18.147 15.337 -17.667 1.00 0.00 H new ATOM 0 HD2 PRO A 89 19.523 15.217 -15.327 1.00 0.00 H new ATOM 0 HD3 PRO A 89 18.364 16.504 -15.600 1.00 0.00 H new ATOM 1348 N ARG A 90 15.274 12.202 -14.252 1.00 0.00 N ATOM 1349 CA ARG A 90 15.018 10.781 -13.947 1.00 0.00 C ATOM 1350 C ARG A 90 14.474 10.010 -15.159 1.00 0.00 C ATOM 1351 O ARG A 90 13.471 10.451 -15.768 1.00 0.00 O ATOM 1352 CB ARG A 90 14.100 10.688 -12.717 1.00 0.00 C ATOM 1353 CG ARG A 90 13.867 9.258 -12.217 1.00 0.00 C ATOM 1354 CD ARG A 90 13.059 9.290 -10.914 1.00 0.00 C ATOM 1355 NE ARG A 90 11.633 9.641 -11.102 1.00 0.00 N ATOM 1356 CZ ARG A 90 10.724 9.686 -10.142 1.00 0.00 C ATOM 1357 NH1 ARG A 90 11.014 9.400 -8.905 1.00 0.00 N ATOM 1358 NH2 ARG A 90 9.496 10.029 -10.393 1.00 0.00 N ATOM 1359 OXT ARG A 90 15.060 8.955 -15.497 1.00 0.00 O ATOM 0 H ARG A 90 14.452 12.787 -14.103 1.00 0.00 H new ATOM 0 HA ARG A 90 15.964 10.294 -13.709 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.532 11.278 -11.909 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.137 11.138 -12.961 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.334 8.681 -12.972 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.823 8.760 -12.051 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.123 8.313 -10.434 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.514 10.010 -10.233 1.00 0.00 H new ATOM 0 HE ARG A 90 11.327 9.866 -12.048 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.965 9.132 -8.653 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.290 9.444 -8.188 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.218 10.270 -11.344 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.810 10.057 -9.639 1.00 0.00 H new TER 1373 ARG A 90