USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 899 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 18 THR OG1 : rot -87:sc= 1.49 USER MOD Set 1.2: A 20 ASN : amide:sc= -1.75! C(o=0.84!,f=-5!) USER MOD Set 1.3: A 21 SER OG : rot 103:sc= 1.09 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.216 (180deg=-0.64) USER MOD Single : A 6 LYS NZ :NH3+ -153:sc= -0.0925 (180deg=-0.45) USER MOD Single : A 7 THR OG1 : rot 36:sc= 0.0874 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 161:sc= 1.25 USER MOD Single : A 17 ASN : amide:sc= 0.121 K(o=0.12,f=-4.7!) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0276) USER MOD Single : A 27 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 30 ASN : amide:sc= 1.22 K(o=1.2,f=-0.013) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -28:sc= -3.14! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 138:sc= 1.22 (180deg=0.0871) USER MOD Single : A 50 ASN : amide:sc= -1.49 K(o=-1.5,f=-8.2!) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc=-0.00337 (180deg=-0.15) USER MOD Single : A 62 THR OG1 : rot 110:sc= 0 USER MOD Single : A 64 THR OG1 : rot -81:sc= -0.235! USER MOD Single : A 67 LYS NZ :NH3+ -110:sc= -0.374 (180deg=-2.91!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0293 K(o=-0.029,f=-4.6!) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc=-0.00364 (180deg=-0.0963) USER MOD Single : A 100 TYR OH : rot 150:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.867 -13.539 -17.183 1.00 0.00 N ATOM 2 CA MET A 1 -15.586 -12.111 -16.875 1.00 0.00 C ATOM 3 C MET A 1 -14.569 -11.993 -15.747 1.00 0.00 C ATOM 4 O MET A 1 -14.007 -10.923 -15.509 1.00 0.00 O ATOM 5 CB MET A 1 -16.880 -11.392 -16.483 1.00 0.00 C ATOM 6 CG MET A 1 -17.944 -11.414 -17.569 1.00 0.00 C ATOM 7 SD MET A 1 -19.481 -10.628 -17.051 1.00 0.00 S ATOM 8 CE MET A 1 -20.532 -10.976 -18.459 1.00 0.00 C ATOM 0 H1 MET A 1 -16.367 -13.606 -18.092 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.971 -14.064 -17.241 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.459 -13.946 -16.431 1.00 0.00 H new ATOM 0 HA MET A 1 -15.172 -11.644 -17.768 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.283 -11.854 -15.582 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.649 -10.356 -16.234 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.563 -10.908 -18.456 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.146 -12.447 -17.853 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.521 -10.552 -18.288 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.097 -10.534 -19.356 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.618 -12.055 -18.591 1.00 0.00 H new ATOM 20 N ALA A 2 -14.342 -13.102 -15.054 1.00 0.00 N ATOM 21 CA ALA A 2 -13.392 -13.136 -13.948 1.00 0.00 C ATOM 22 C ALA A 2 -11.964 -13.313 -14.458 1.00 0.00 C ATOM 23 O ALA A 2 -11.663 -14.287 -15.150 1.00 0.00 O ATOM 24 CB ALA A 2 -13.750 -14.254 -12.978 1.00 0.00 C ATOM 0 H ALA A 2 -14.804 -13.992 -15.239 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.448 -12.183 -13.423 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.032 -14.268 -12.158 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.751 -14.085 -12.582 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.723 -15.211 -13.500 1.00 0.00 H new ATOM 30 N PRO A 3 -11.066 -12.364 -14.133 1.00 0.00 N ATOM 31 CA PRO A 3 -9.665 -12.422 -14.562 1.00 0.00 C ATOM 32 C PRO A 3 -8.873 -13.515 -13.849 1.00 0.00 C ATOM 33 O PRO A 3 -9.167 -13.872 -12.708 1.00 0.00 O ATOM 34 CB PRO A 3 -9.127 -11.039 -14.202 1.00 0.00 C ATOM 35 CG PRO A 3 -9.970 -10.607 -13.061 1.00 0.00 C ATOM 36 CD PRO A 3 -11.344 -11.158 -13.330 1.00 0.00 C ATOM 0 HA PRO A 3 -9.575 -12.666 -15.621 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.073 -11.081 -13.925 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.209 -10.349 -15.042 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.575 -10.986 -12.118 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.994 -9.520 -12.983 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.870 -11.400 -12.406 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.965 -10.446 -13.873 1.00 0.00 H new ATOM 44 N LEU A 4 -7.864 -14.041 -14.533 1.00 0.00 N ATOM 45 CA LEU A 4 -7.031 -15.099 -13.973 1.00 0.00 C ATOM 46 C LEU A 4 -5.741 -14.532 -13.386 1.00 0.00 C ATOM 47 O LEU A 4 -4.911 -15.268 -12.855 1.00 0.00 O ATOM 48 CB LEU A 4 -6.704 -16.136 -15.051 1.00 0.00 C ATOM 49 CG LEU A 4 -7.922 -16.775 -15.724 1.00 0.00 C ATOM 50 CD1 LEU A 4 -7.486 -17.781 -16.777 1.00 0.00 C ATOM 51 CD2 LEU A 4 -8.826 -17.432 -14.691 1.00 0.00 C ATOM 0 H LEU A 4 -7.603 -13.753 -15.476 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.588 -15.579 -13.169 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.092 -15.661 -15.817 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.099 -16.925 -14.604 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.490 -15.988 -16.219 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.366 -18.224 -17.244 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.888 -17.277 -17.536 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.891 -18.564 -16.307 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.685 -17.879 -15.191 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.271 -18.206 -14.161 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.171 -16.682 -13.980 1.00 0.00 H new ATOM 63 N ARG A 5 -5.581 -13.218 -13.486 1.00 0.00 N ATOM 64 CA ARG A 5 -4.392 -12.550 -12.969 1.00 0.00 C ATOM 65 C ARG A 5 -4.670 -11.934 -11.602 1.00 0.00 C ATOM 66 O ARG A 5 -5.735 -11.362 -11.374 1.00 0.00 O ATOM 67 CB ARG A 5 -3.918 -11.464 -13.942 1.00 0.00 C ATOM 68 CG ARG A 5 -2.842 -11.929 -14.915 1.00 0.00 C ATOM 69 CD ARG A 5 -3.380 -12.939 -15.916 1.00 0.00 C ATOM 70 NE ARG A 5 -2.438 -13.181 -17.007 1.00 0.00 N ATOM 71 CZ ARG A 5 -2.625 -14.095 -17.956 1.00 0.00 C ATOM 72 NH1 ARG A 5 -3.714 -14.853 -17.945 1.00 0.00 N ATOM 73 NH2 ARG A 5 -1.722 -14.248 -18.916 1.00 0.00 N ATOM 0 H ARG A 5 -6.260 -12.593 -13.921 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.606 -13.297 -12.863 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.774 -11.101 -14.510 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.535 -10.620 -13.369 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.439 -11.068 -15.449 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -2.017 -12.374 -14.358 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.593 -13.878 -15.405 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.324 -12.578 -16.325 1.00 0.00 H new ATOM 0 HE ARG A 5 -1.589 -12.617 -17.043 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.410 -14.736 -17.208 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.856 -15.553 -18.673 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.885 -13.665 -18.926 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.865 -14.948 -19.644 1.00 0.00 H new ATOM 87 N LYS A 6 -3.704 -12.064 -10.694 1.00 0.00 N ATOM 88 CA LYS A 6 -3.833 -11.520 -9.343 1.00 0.00 C ATOM 89 C LYS A 6 -3.754 -9.999 -9.345 1.00 0.00 C ATOM 90 O LYS A 6 -4.186 -9.340 -8.399 1.00 0.00 O ATOM 91 CB LYS A 6 -2.751 -12.100 -8.425 1.00 0.00 C ATOM 92 CG LYS A 6 -1.395 -11.423 -8.535 1.00 0.00 C ATOM 93 CD LYS A 6 -1.113 -10.568 -7.309 1.00 0.00 C ATOM 94 CE LYS A 6 0.286 -10.810 -6.767 1.00 0.00 C ATOM 95 NZ LYS A 6 0.469 -12.213 -6.305 1.00 0.00 N ATOM 0 H LYS A 6 -2.821 -12.543 -10.870 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.814 -11.808 -8.964 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.094 -12.030 -7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.632 -13.160 -8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.616 -12.177 -8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.366 -10.802 -9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.227 -9.515 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.847 -10.789 -6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.019 -10.585 -7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.477 -10.128 -5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.198 -12.242 -5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.429 -12.572 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.766 -12.806 -7.106 1.00 0.00 H new ATOM 109 N THR A 7 -3.203 -9.451 -10.414 1.00 0.00 N ATOM 110 CA THR A 7 -3.039 -8.018 -10.525 1.00 0.00 C ATOM 111 C THR A 7 -4.261 -7.342 -11.125 1.00 0.00 C ATOM 112 O THR A 7 -4.705 -7.674 -12.225 1.00 0.00 O ATOM 113 CB THR A 7 -1.800 -7.677 -11.362 1.00 0.00 C ATOM 114 OG1 THR A 7 -1.823 -8.411 -12.593 1.00 0.00 O ATOM 115 CG2 THR A 7 -0.540 -8.013 -10.586 1.00 0.00 C ATOM 0 H THR A 7 -2.862 -9.980 -11.217 1.00 0.00 H new ATOM 0 HA THR A 7 -2.911 -7.638 -9.511 1.00 0.00 H new ATOM 0 HB THR A 7 -1.807 -6.610 -11.583 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.747 -8.493 -12.908 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.335 -7.767 -11.188 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.517 -7.436 -9.661 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.531 -9.077 -10.350 1.00 0.00 H new ATOM 123 N ALA A 8 -4.786 -6.387 -10.379 1.00 0.00 N ATOM 124 CA ALA A 8 -5.942 -5.613 -10.797 1.00 0.00 C ATOM 125 C ALA A 8 -5.490 -4.373 -11.549 1.00 0.00 C ATOM 126 O ALA A 8 -4.379 -3.882 -11.334 1.00 0.00 O ATOM 127 CB ALA A 8 -6.783 -5.244 -9.590 1.00 0.00 C ATOM 0 H ALA A 8 -4.422 -6.125 -9.463 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.556 -6.214 -11.468 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.648 -4.664 -9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.121 -6.152 -9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.186 -4.651 -8.898 1.00 0.00 H new ATOM 133 N VAL A 9 -6.342 -3.859 -12.422 1.00 0.00 N ATOM 134 CA VAL A 9 -5.984 -2.694 -13.209 1.00 0.00 C ATOM 135 C VAL A 9 -6.734 -1.459 -12.725 1.00 0.00 C ATOM 136 O VAL A 9 -7.968 -1.433 -12.682 1.00 0.00 O ATOM 137 CB VAL A 9 -6.269 -2.918 -14.711 1.00 0.00 C ATOM 138 CG1 VAL A 9 -5.906 -1.679 -15.529 1.00 0.00 C ATOM 139 CG2 VAL A 9 -5.508 -4.133 -15.220 1.00 0.00 C ATOM 0 H VAL A 9 -7.276 -4.227 -12.601 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.914 -2.535 -13.079 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.337 -3.100 -14.830 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.116 -1.864 -16.582 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.496 -0.830 -15.185 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.846 -1.458 -15.404 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.719 -4.277 -16.280 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.438 -3.977 -15.082 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.820 -5.017 -14.664 1.00 0.00 H new ATOM 149 N LEU A 10 -5.971 -0.441 -12.368 1.00 0.00 N ATOM 150 CA LEU A 10 -6.527 0.816 -11.896 1.00 0.00 C ATOM 151 C LEU A 10 -6.195 1.880 -12.929 1.00 0.00 C ATOM 152 O LEU A 10 -5.029 2.050 -13.288 1.00 0.00 O ATOM 153 CB LEU A 10 -5.920 1.177 -10.529 1.00 0.00 C ATOM 154 CG LEU A 10 -6.855 1.850 -9.503 1.00 0.00 C ATOM 155 CD1 LEU A 10 -7.619 3.011 -10.115 1.00 0.00 C ATOM 156 CD2 LEU A 10 -7.823 0.844 -8.906 1.00 0.00 C ATOM 0 H LEU A 10 -4.952 -0.461 -12.397 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.607 0.740 -11.770 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.527 0.264 -10.081 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.071 1.839 -10.700 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.224 2.245 -8.706 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.266 3.458 -9.361 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.914 3.759 -10.478 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.225 2.650 -10.946 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.470 1.345 -8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.431 0.409 -9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.264 0.055 -8.403 1.00 0.00 H new ATOM 168 N LYS A 11 -7.196 2.607 -13.410 1.00 0.00 N ATOM 169 CA LYS A 11 -6.938 3.627 -14.411 1.00 0.00 C ATOM 170 C LYS A 11 -7.142 5.010 -13.825 1.00 0.00 C ATOM 171 O LYS A 11 -8.159 5.287 -13.184 1.00 0.00 O ATOM 172 CB LYS A 11 -7.818 3.454 -15.656 1.00 0.00 C ATOM 173 CG LYS A 11 -7.471 2.235 -16.491 1.00 0.00 C ATOM 174 CD LYS A 11 -8.347 2.146 -17.731 1.00 0.00 C ATOM 175 CE LYS A 11 -7.976 0.950 -18.590 1.00 0.00 C ATOM 176 NZ LYS A 11 -8.834 0.847 -19.803 1.00 0.00 N ATOM 0 H LYS A 11 -8.172 2.511 -13.129 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.899 3.513 -14.721 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.860 3.384 -15.345 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.730 4.345 -16.278 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.423 2.280 -16.786 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.594 1.334 -15.891 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.393 2.071 -17.434 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.246 3.060 -18.316 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.931 1.030 -18.891 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.070 0.038 -18.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.548 0.018 -20.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.829 0.745 -19.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.726 1.706 -20.379 1.00 0.00 H new ATOM 190 N LEU A 12 -6.162 5.871 -14.038 1.00 0.00 N ATOM 191 CA LEU A 12 -6.232 7.230 -13.545 1.00 0.00 C ATOM 192 C LEU A 12 -6.409 8.175 -14.717 1.00 0.00 C ATOM 193 O LEU A 12 -5.582 8.192 -15.628 1.00 0.00 O ATOM 194 CB LEU A 12 -4.956 7.590 -12.778 1.00 0.00 C ATOM 195 CG LEU A 12 -5.167 8.298 -11.434 1.00 0.00 C ATOM 196 CD1 LEU A 12 -3.829 8.667 -10.815 1.00 0.00 C ATOM 197 CD2 LEU A 12 -6.034 9.537 -11.597 1.00 0.00 C ATOM 0 H LEU A 12 -5.308 5.650 -14.550 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.080 7.319 -12.866 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.390 6.676 -12.601 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.341 8.229 -13.412 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.685 7.609 -10.767 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.995 9.169 -9.862 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.242 7.763 -10.652 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.289 9.334 -11.487 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.167 10.018 -10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.551 10.231 -12.284 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.007 9.250 -11.996 1.00 0.00 H new ATOM 209 N TYR A 13 -7.467 8.958 -14.712 1.00 0.00 N ATOM 210 CA TYR A 13 -7.712 9.894 -15.791 1.00 0.00 C ATOM 211 C TYR A 13 -7.257 11.274 -15.347 1.00 0.00 C ATOM 212 O TYR A 13 -7.760 11.810 -14.362 1.00 0.00 O ATOM 213 CB TYR A 13 -9.204 9.901 -16.129 1.00 0.00 C ATOM 214 CG TYR A 13 -9.716 8.557 -16.605 1.00 0.00 C ATOM 215 CD1 TYR A 13 -10.172 7.606 -15.698 1.00 0.00 C ATOM 216 CD2 TYR A 13 -9.744 8.238 -17.957 1.00 0.00 C ATOM 217 CE1 TYR A 13 -10.638 6.379 -16.123 1.00 0.00 C ATOM 218 CE2 TYR A 13 -10.211 7.010 -18.389 1.00 0.00 C ATOM 219 CZ TYR A 13 -10.656 6.084 -17.469 1.00 0.00 C ATOM 220 OH TYR A 13 -11.118 4.859 -17.892 1.00 0.00 O ATOM 0 H TYR A 13 -8.171 8.966 -13.974 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.158 9.602 -16.683 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.768 10.205 -15.247 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.391 10.648 -16.901 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.161 7.832 -14.642 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.396 8.960 -18.681 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.987 5.653 -15.404 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.227 6.777 -19.443 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.351 4.908 -18.843 1.00 0.00 H new ATOM 230 N VAL A 14 -6.309 11.848 -16.067 1.00 0.00 N ATOM 231 CA VAL A 14 -5.775 13.154 -15.709 1.00 0.00 C ATOM 232 C VAL A 14 -5.848 14.131 -16.870 1.00 0.00 C ATOM 233 O VAL A 14 -5.977 13.730 -18.030 1.00 0.00 O ATOM 234 CB VAL A 14 -4.311 13.052 -15.227 1.00 0.00 C ATOM 235 CG1 VAL A 14 -4.235 12.317 -13.892 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.443 12.361 -16.270 1.00 0.00 C ATOM 0 H VAL A 14 -5.893 11.433 -16.901 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.396 13.527 -14.895 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.930 14.063 -15.085 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.196 12.255 -13.569 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.815 12.858 -13.145 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.639 11.311 -14.007 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.417 12.301 -15.908 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.823 11.356 -16.451 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.467 12.931 -17.199 1.00 0.00 H new ATOM 246 N ALA A 15 -5.757 15.415 -16.552 1.00 0.00 N ATOM 247 CA ALA A 15 -5.816 16.447 -17.570 1.00 0.00 C ATOM 248 C ALA A 15 -4.507 17.226 -17.620 1.00 0.00 C ATOM 249 O ALA A 15 -4.261 18.105 -16.788 1.00 0.00 O ATOM 250 CB ALA A 15 -6.989 17.383 -17.326 1.00 0.00 C ATOM 0 H ALA A 15 -5.643 15.763 -15.600 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.965 15.963 -18.535 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.012 18.148 -18.102 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.919 16.815 -17.349 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.878 17.858 -16.351 1.00 0.00 H new ATOM 256 N GLY A 16 -3.675 16.895 -18.608 1.00 0.00 N ATOM 257 CA GLY A 16 -2.397 17.562 -18.784 1.00 0.00 C ATOM 258 C GLY A 16 -1.476 17.430 -17.586 1.00 0.00 C ATOM 259 O GLY A 16 -1.319 16.345 -17.025 1.00 0.00 O ATOM 0 H GLY A 16 -3.869 16.167 -19.296 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.899 17.151 -19.662 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.572 18.619 -18.983 1.00 0.00 H new ATOM 263 N ASN A 17 -0.869 18.544 -17.199 1.00 0.00 N ATOM 264 CA ASN A 17 0.050 18.572 -16.069 1.00 0.00 C ATOM 265 C ASN A 17 -0.427 19.543 -15.002 1.00 0.00 C ATOM 266 O ASN A 17 0.374 20.225 -14.358 1.00 0.00 O ATOM 267 CB ASN A 17 1.471 18.927 -16.529 1.00 0.00 C ATOM 268 CG ASN A 17 1.574 20.315 -17.146 1.00 0.00 C ATOM 269 OD1 ASN A 17 0.633 20.807 -17.772 1.00 0.00 O ATOM 270 ND2 ASN A 17 2.723 20.954 -16.973 1.00 0.00 N ATOM 0 H ASN A 17 -0.998 19.447 -17.655 1.00 0.00 H new ATOM 0 HA ASN A 17 0.072 17.574 -15.631 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.148 18.864 -15.677 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.805 18.188 -17.257 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.852 21.887 -17.365 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.478 20.512 -16.448 1.00 0.00 H new ATOM 277 N THR A 18 -1.738 19.605 -14.826 1.00 0.00 N ATOM 278 CA THR A 18 -2.333 20.472 -13.824 1.00 0.00 C ATOM 279 C THR A 18 -1.899 20.027 -12.436 1.00 0.00 C ATOM 280 O THR A 18 -1.619 18.847 -12.221 1.00 0.00 O ATOM 281 CB THR A 18 -3.871 20.467 -13.930 1.00 0.00 C ATOM 282 OG1 THR A 18 -4.350 19.126 -14.102 1.00 0.00 O ATOM 283 CG2 THR A 18 -4.336 21.334 -15.089 1.00 0.00 C ATOM 0 H THR A 18 -2.411 19.062 -15.367 1.00 0.00 H new ATOM 0 HA THR A 18 -1.988 21.491 -14.000 1.00 0.00 H new ATOM 0 HB THR A 18 -4.278 20.878 -13.006 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.355 18.900 -15.056 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.424 21.315 -15.144 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.998 22.359 -14.935 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.919 20.951 -16.020 1.00 0.00 H new ATOM 291 N PRO A 19 -1.837 20.959 -11.471 1.00 0.00 N ATOM 292 CA PRO A 19 -1.401 20.648 -10.103 1.00 0.00 C ATOM 293 C PRO A 19 -2.239 19.561 -9.451 1.00 0.00 C ATOM 294 O PRO A 19 -1.736 18.788 -8.645 1.00 0.00 O ATOM 295 CB PRO A 19 -1.569 21.980 -9.362 1.00 0.00 C ATOM 296 CG PRO A 19 -2.454 22.808 -10.234 1.00 0.00 C ATOM 297 CD PRO A 19 -2.156 22.383 -11.636 1.00 0.00 C ATOM 0 HA PRO A 19 -0.383 20.260 -10.083 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.015 21.829 -8.379 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.606 22.466 -9.204 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.504 22.647 -9.991 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.255 23.871 -10.097 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.009 22.534 -12.297 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.321 22.940 -12.061 1.00 0.00 H new ATOM 305 N ASN A 20 -3.511 19.502 -9.811 1.00 0.00 N ATOM 306 CA ASN A 20 -4.396 18.480 -9.279 1.00 0.00 C ATOM 307 C ASN A 20 -4.024 17.114 -9.860 1.00 0.00 C ATOM 308 O ASN A 20 -3.992 16.113 -9.146 1.00 0.00 O ATOM 309 CB ASN A 20 -5.867 18.818 -9.577 1.00 0.00 C ATOM 310 CG ASN A 20 -6.099 19.294 -11.001 1.00 0.00 C ATOM 311 OD1 ASN A 20 -5.555 20.315 -11.421 1.00 0.00 O ATOM 312 ND2 ASN A 20 -6.917 18.565 -11.748 1.00 0.00 N ATOM 0 H ASN A 20 -3.952 20.147 -10.467 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.276 18.445 -8.196 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.480 17.936 -9.392 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.202 19.590 -8.884 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.115 18.844 -12.709 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.348 17.725 -11.362 1.00 0.00 H new ATOM 319 N SER A 21 -3.741 17.088 -11.168 1.00 0.00 N ATOM 320 CA SER A 21 -3.347 15.862 -11.855 1.00 0.00 C ATOM 321 C SER A 21 -1.955 15.418 -11.426 1.00 0.00 C ATOM 322 O SER A 21 -1.726 14.235 -11.193 1.00 0.00 O ATOM 323 CB SER A 21 -3.381 16.067 -13.369 1.00 0.00 C ATOM 324 OG SER A 21 -4.702 16.313 -13.825 1.00 0.00 O ATOM 0 H SER A 21 -3.779 17.910 -11.771 1.00 0.00 H new ATOM 0 HA SER A 21 -4.058 15.082 -11.583 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.738 16.905 -13.639 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.980 15.184 -13.867 1.00 0.00 H new ATOM 0 HG SER A 21 -4.812 17.269 -14.008 1.00 0.00 H new ATOM 330 N VAL A 22 -1.031 16.367 -11.320 1.00 0.00 N ATOM 331 CA VAL A 22 0.331 16.054 -10.902 1.00 0.00 C ATOM 332 C VAL A 22 0.350 15.535 -9.468 1.00 0.00 C ATOM 333 O VAL A 22 1.017 14.544 -9.160 1.00 0.00 O ATOM 334 CB VAL A 22 1.266 17.278 -11.036 1.00 0.00 C ATOM 335 CG1 VAL A 22 2.598 17.027 -10.347 1.00 0.00 C ATOM 336 CG2 VAL A 22 1.480 17.625 -12.500 1.00 0.00 C ATOM 0 H VAL A 22 -1.199 17.354 -11.516 1.00 0.00 H new ATOM 0 HA VAL A 22 0.702 15.274 -11.566 1.00 0.00 H new ATOM 0 HB VAL A 22 0.787 18.124 -10.544 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.236 17.904 -10.457 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.429 16.832 -9.288 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.086 16.165 -10.801 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.140 18.489 -12.576 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.932 16.776 -13.013 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.521 17.859 -12.962 1.00 0.00 H new ATOM 346 N ARG A 23 -0.402 16.205 -8.602 1.00 0.00 N ATOM 347 CA ARG A 23 -0.489 15.827 -7.198 1.00 0.00 C ATOM 348 C ARG A 23 -1.059 14.426 -7.066 1.00 0.00 C ATOM 349 O ARG A 23 -0.525 13.583 -6.342 1.00 0.00 O ATOM 350 CB ARG A 23 -1.410 16.799 -6.475 1.00 0.00 C ATOM 351 CG ARG A 23 -1.064 17.037 -5.020 1.00 0.00 C ATOM 352 CD ARG A 23 -0.251 18.308 -4.859 1.00 0.00 C ATOM 353 NE ARG A 23 0.055 18.594 -3.458 1.00 0.00 N ATOM 354 CZ ARG A 23 -0.735 19.304 -2.656 1.00 0.00 C ATOM 355 NH1 ARG A 23 -1.879 19.801 -3.114 1.00 0.00 N ATOM 356 NH2 ARG A 23 -0.382 19.517 -1.395 1.00 0.00 N ATOM 0 H ARG A 23 -0.964 17.019 -8.851 1.00 0.00 H new ATOM 0 HA ARG A 23 0.510 15.854 -6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.391 17.754 -7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.431 16.423 -6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.979 17.108 -4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.501 16.188 -4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.679 18.216 -5.421 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.801 19.146 -5.287 1.00 0.00 H new ATOM 0 HE ARG A 23 0.925 18.228 -3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.154 19.639 -4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.482 20.345 -2.497 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.495 19.137 -1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.988 20.061 -0.781 1.00 0.00 H new ATOM 370 N ALA A 24 -2.157 14.193 -7.780 1.00 0.00 N ATOM 371 CA ALA A 24 -2.828 12.900 -7.754 1.00 0.00 C ATOM 372 C ALA A 24 -1.938 11.794 -8.317 1.00 0.00 C ATOM 373 O ALA A 24 -1.860 10.700 -7.759 1.00 0.00 O ATOM 374 CB ALA A 24 -4.128 12.967 -8.539 1.00 0.00 C ATOM 0 H ALA A 24 -2.600 14.885 -8.384 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.045 12.661 -6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.620 11.995 -8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.783 13.717 -8.095 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.915 13.237 -9.573 1.00 0.00 H new ATOM 380 N LEU A 25 -1.269 12.101 -9.429 1.00 0.00 N ATOM 381 CA LEU A 25 -0.380 11.151 -10.098 1.00 0.00 C ATOM 382 C LEU A 25 0.780 10.735 -9.197 1.00 0.00 C ATOM 383 O LEU A 25 1.072 9.547 -9.070 1.00 0.00 O ATOM 384 CB LEU A 25 0.150 11.759 -11.402 1.00 0.00 C ATOM 385 CG LEU A 25 1.133 10.890 -12.188 1.00 0.00 C ATOM 386 CD1 LEU A 25 0.483 9.579 -12.606 1.00 0.00 C ATOM 387 CD2 LEU A 25 1.647 11.642 -13.407 1.00 0.00 C ATOM 0 H LEU A 25 -1.327 13.010 -9.889 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.957 10.255 -10.326 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.699 11.988 -12.046 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.637 12.706 -11.168 1.00 0.00 H new ATOM 0 HG LEU A 25 1.978 10.658 -11.540 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.202 8.978 -13.163 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.164 9.032 -11.719 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.382 9.786 -13.236 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.345 11.011 -13.956 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.809 11.904 -14.053 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.155 12.551 -13.086 1.00 0.00 H new ATOM 399 N LYS A 26 1.431 11.709 -8.569 1.00 0.00 N ATOM 400 CA LYS A 26 2.554 11.420 -7.680 1.00 0.00 C ATOM 401 C LYS A 26 2.098 10.600 -6.476 1.00 0.00 C ATOM 402 O LYS A 26 2.771 9.653 -6.068 1.00 0.00 O ATOM 403 CB LYS A 26 3.219 12.719 -7.210 1.00 0.00 C ATOM 404 CG LYS A 26 4.479 13.080 -7.988 1.00 0.00 C ATOM 405 CD LYS A 26 4.183 13.348 -9.457 1.00 0.00 C ATOM 406 CE LYS A 26 5.192 14.310 -10.062 1.00 0.00 C ATOM 407 NZ LYS A 26 6.582 13.781 -9.988 1.00 0.00 N ATOM 0 H LYS A 26 1.203 12.699 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 26 3.283 10.835 -8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.502 13.536 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.469 12.627 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.939 13.962 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.201 12.268 -7.906 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.198 12.409 -10.010 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.179 13.761 -9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.932 14.501 -11.103 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.140 15.266 -9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.221 14.410 -10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.883 13.735 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.613 12.828 -10.404 1.00 0.00 H new ATOM 421 N THR A 27 0.952 10.972 -5.917 1.00 0.00 N ATOM 422 CA THR A 27 0.389 10.280 -4.763 1.00 0.00 C ATOM 423 C THR A 27 -0.010 8.843 -5.113 1.00 0.00 C ATOM 424 O THR A 27 0.297 7.911 -4.372 1.00 0.00 O ATOM 425 CB THR A 27 -0.837 11.053 -4.237 1.00 0.00 C ATOM 426 OG1 THR A 27 -0.449 12.384 -3.877 1.00 0.00 O ATOM 427 CG2 THR A 27 -1.444 10.373 -3.025 1.00 0.00 C ATOM 0 H THR A 27 0.390 11.756 -6.248 1.00 0.00 H new ATOM 0 HA THR A 27 1.154 10.237 -3.988 1.00 0.00 H new ATOM 0 HB THR A 27 -1.583 11.076 -5.032 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.444 12.951 -4.676 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.306 10.945 -2.681 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.761 9.365 -3.294 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.702 10.320 -2.228 1.00 0.00 H new ATOM 435 N LEU A 28 -0.668 8.665 -6.254 1.00 0.00 N ATOM 436 CA LEU A 28 -1.123 7.341 -6.681 1.00 0.00 C ATOM 437 C LEU A 28 0.027 6.427 -7.099 1.00 0.00 C ATOM 438 O LEU A 28 0.127 5.293 -6.629 1.00 0.00 O ATOM 439 CB LEU A 28 -2.099 7.472 -7.858 1.00 0.00 C ATOM 440 CG LEU A 28 -3.564 7.126 -7.563 1.00 0.00 C ATOM 441 CD1 LEU A 28 -3.676 5.767 -6.889 1.00 0.00 C ATOM 442 CD2 LEU A 28 -4.211 8.207 -6.710 1.00 0.00 C ATOM 0 H LEU A 28 -0.899 9.419 -6.901 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.615 6.890 -5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.056 8.497 -8.226 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.751 6.828 -8.666 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.098 7.076 -8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.724 5.545 -6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.260 5.001 -7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.124 5.780 -5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.250 7.942 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.673 8.296 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.174 9.159 -7.240 1.00 0.00 H new ATOM 454 N ALA A 29 0.898 6.926 -7.980 1.00 0.00 N ATOM 455 CA ALA A 29 2.006 6.132 -8.504 1.00 0.00 C ATOM 456 C ALA A 29 2.987 5.667 -7.434 1.00 0.00 C ATOM 457 O ALA A 29 3.363 4.501 -7.417 1.00 0.00 O ATOM 458 CB ALA A 29 2.748 6.914 -9.578 1.00 0.00 C ATOM 0 H ALA A 29 0.855 7.878 -8.344 1.00 0.00 H new ATOM 0 HA ALA A 29 1.561 5.232 -8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.572 6.313 -9.962 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.064 7.153 -10.392 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.140 7.837 -9.151 1.00 0.00 H new ATOM 464 N ASN A 30 3.386 6.552 -6.526 1.00 0.00 N ATOM 465 CA ASN A 30 4.348 6.170 -5.489 1.00 0.00 C ATOM 466 C ASN A 30 3.754 5.144 -4.530 1.00 0.00 C ATOM 467 O ASN A 30 4.441 4.215 -4.110 1.00 0.00 O ATOM 468 CB ASN A 30 4.869 7.390 -4.725 1.00 0.00 C ATOM 469 CG ASN A 30 5.913 8.163 -5.509 1.00 0.00 C ATOM 470 OD1 ASN A 30 7.074 7.763 -5.575 1.00 0.00 O ATOM 471 ND2 ASN A 30 5.509 9.272 -6.108 1.00 0.00 N ATOM 0 H ASN A 30 3.068 7.520 -6.483 1.00 0.00 H new ATOM 0 HA ASN A 30 5.196 5.708 -5.994 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.035 8.050 -4.488 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.298 7.065 -3.777 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.170 9.829 -6.649 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.537 9.569 -6.029 1.00 0.00 H new ATOM 478 N ILE A 31 2.487 5.315 -4.179 1.00 0.00 N ATOM 479 CA ILE A 31 1.827 4.373 -3.294 1.00 0.00 C ATOM 480 C ILE A 31 1.708 2.997 -3.960 1.00 0.00 C ATOM 481 O ILE A 31 1.971 1.971 -3.338 1.00 0.00 O ATOM 482 CB ILE A 31 0.463 4.907 -2.816 1.00 0.00 C ATOM 483 CG1 ILE A 31 0.706 6.053 -1.835 1.00 0.00 C ATOM 484 CG2 ILE A 31 -0.383 3.815 -2.183 1.00 0.00 C ATOM 485 CD1 ILE A 31 -0.541 6.807 -1.462 1.00 0.00 C ATOM 0 H ILE A 31 1.902 6.090 -4.491 1.00 0.00 H new ATOM 0 HA ILE A 31 2.444 4.254 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.098 5.270 -3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.162 5.653 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.422 6.748 -2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.336 4.234 -1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.563 3.025 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.142 3.401 -1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.289 7.605 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.988 7.238 -2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.252 6.126 -0.994 1.00 0.00 H new ATOM 497 N LEU A 32 1.324 2.984 -5.230 1.00 0.00 N ATOM 498 CA LEU A 32 1.191 1.738 -5.982 1.00 0.00 C ATOM 499 C LEU A 32 2.544 1.087 -6.303 1.00 0.00 C ATOM 500 O LEU A 32 2.621 -0.127 -6.459 1.00 0.00 O ATOM 501 CB LEU A 32 0.383 1.968 -7.260 1.00 0.00 C ATOM 502 CG LEU A 32 -1.112 2.212 -7.034 1.00 0.00 C ATOM 503 CD1 LEU A 32 -1.775 2.700 -8.310 1.00 0.00 C ATOM 504 CD2 LEU A 32 -1.782 0.938 -6.544 1.00 0.00 C ATOM 0 H LEU A 32 1.098 3.823 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 32 0.654 1.038 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.801 2.824 -7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.502 1.101 -7.910 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.225 2.984 -6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.837 2.867 -8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.310 3.633 -8.628 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.655 1.950 -9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.845 1.123 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.657 0.152 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.325 0.625 -5.605 1.00 0.00 H new ATOM 516 N GLU A 33 3.603 1.888 -6.424 1.00 0.00 N ATOM 517 CA GLU A 33 4.934 1.349 -6.735 1.00 0.00 C ATOM 518 C GLU A 33 5.719 0.982 -5.477 1.00 0.00 C ATOM 519 O GLU A 33 6.851 0.511 -5.569 1.00 0.00 O ATOM 520 CB GLU A 33 5.753 2.343 -7.566 1.00 0.00 C ATOM 521 CG GLU A 33 5.126 2.695 -8.904 1.00 0.00 C ATOM 522 CD GLU A 33 6.006 3.601 -9.741 1.00 0.00 C ATOM 523 OE1 GLU A 33 7.143 3.195 -10.060 1.00 0.00 O ATOM 524 OE2 GLU A 33 5.557 4.716 -10.078 1.00 0.00 O ATOM 0 H GLU A 33 3.570 2.901 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 33 4.767 0.440 -7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.889 3.257 -6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.744 1.925 -7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.924 1.779 -9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.166 3.183 -8.734 1.00 0.00 H new ATOM 531 N LYS A 34 5.140 1.214 -4.307 1.00 0.00 N ATOM 532 CA LYS A 34 5.821 0.885 -3.060 1.00 0.00 C ATOM 533 C LYS A 34 4.900 0.116 -2.114 1.00 0.00 C ATOM 534 O LYS A 34 5.168 -1.033 -1.767 1.00 0.00 O ATOM 535 CB LYS A 34 6.330 2.164 -2.384 1.00 0.00 C ATOM 536 CG LYS A 34 7.058 1.924 -1.069 1.00 0.00 C ATOM 537 CD LYS A 34 8.349 1.146 -1.276 1.00 0.00 C ATOM 538 CE LYS A 34 9.111 0.984 0.028 1.00 0.00 C ATOM 539 NZ LYS A 34 10.378 0.225 -0.157 1.00 0.00 N ATOM 0 H LYS A 34 4.213 1.623 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 34 6.671 0.244 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.001 2.682 -3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.485 2.828 -2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.281 2.881 -0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.408 1.376 -0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.122 0.164 -1.691 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.975 1.663 -2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.335 1.967 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.482 0.468 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.867 0.137 0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.164 -0.723 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.990 0.730 -0.830 1.00 0.00 H new ATOM 553 N GLU A 35 3.814 0.764 -1.711 1.00 0.00 N ATOM 554 CA GLU A 35 2.846 0.176 -0.790 1.00 0.00 C ATOM 555 C GLU A 35 2.123 -1.038 -1.386 1.00 0.00 C ATOM 556 O GLU A 35 1.911 -2.035 -0.698 1.00 0.00 O ATOM 557 CB GLU A 35 1.825 1.242 -0.373 1.00 0.00 C ATOM 558 CG GLU A 35 2.405 2.320 0.534 1.00 0.00 C ATOM 559 CD GLU A 35 2.958 1.764 1.833 1.00 0.00 C ATOM 560 OE1 GLU A 35 2.240 0.993 2.503 1.00 0.00 O ATOM 561 OE2 GLU A 35 4.109 2.102 2.178 1.00 0.00 O ATOM 0 H GLU A 35 3.579 1.710 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 35 3.398 -0.180 0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.417 1.712 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.994 0.757 0.139 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.198 2.846 0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.631 3.054 0.759 1.00 0.00 H new ATOM 568 N PHE A 36 1.748 -0.954 -2.661 1.00 0.00 N ATOM 569 CA PHE A 36 1.034 -2.053 -3.314 1.00 0.00 C ATOM 570 C PHE A 36 1.755 -2.544 -4.567 1.00 0.00 C ATOM 571 O PHE A 36 1.115 -3.021 -5.511 1.00 0.00 O ATOM 572 CB PHE A 36 -0.394 -1.623 -3.666 1.00 0.00 C ATOM 573 CG PHE A 36 -1.209 -1.234 -2.466 1.00 0.00 C ATOM 574 CD1 PHE A 36 -1.344 0.097 -2.108 1.00 0.00 C ATOM 575 CD2 PHE A 36 -1.827 -2.201 -1.691 1.00 0.00 C ATOM 576 CE1 PHE A 36 -2.081 0.457 -0.998 1.00 0.00 C ATOM 577 CE2 PHE A 36 -2.567 -1.846 -0.580 1.00 0.00 C ATOM 578 CZ PHE A 36 -2.693 -0.515 -0.233 1.00 0.00 C ATOM 0 H PHE A 36 1.924 -0.146 -3.258 1.00 0.00 H new ATOM 0 HA PHE A 36 1.001 -2.882 -2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.353 -0.781 -4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.894 -2.439 -4.187 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.867 0.861 -2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.729 -3.243 -1.958 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.179 1.498 -0.728 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.046 -2.608 0.017 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.270 -0.235 0.636 1.00 0.00 H new ATOM 588 N LYS A 37 3.080 -2.427 -4.577 1.00 0.00 N ATOM 589 CA LYS A 37 3.872 -2.855 -5.728 1.00 0.00 C ATOM 590 C LYS A 37 3.717 -4.352 -5.980 1.00 0.00 C ATOM 591 O LYS A 37 3.870 -5.168 -5.071 1.00 0.00 O ATOM 592 CB LYS A 37 5.351 -2.512 -5.528 1.00 0.00 C ATOM 593 CG LYS A 37 6.224 -2.864 -6.727 1.00 0.00 C ATOM 594 CD LYS A 37 7.631 -2.303 -6.586 1.00 0.00 C ATOM 595 CE LYS A 37 8.374 -2.944 -5.427 1.00 0.00 C ATOM 596 NZ LYS A 37 9.776 -2.453 -5.324 1.00 0.00 N ATOM 0 H LYS A 37 3.626 -2.042 -3.806 1.00 0.00 H new ATOM 0 HA LYS A 37 3.499 -2.318 -6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.444 -1.446 -5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.723 -3.040 -4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.274 -3.948 -6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.767 -2.474 -7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.184 -2.469 -7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.580 -1.225 -6.435 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.847 -2.733 -4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.377 -4.027 -5.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.248 -2.915 -4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.288 -2.677 -6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.773 -1.423 -5.178 1.00 0.00 H new ATOM 610 N GLY A 38 3.412 -4.700 -7.225 1.00 0.00 N ATOM 611 CA GLY A 38 3.247 -6.094 -7.591 1.00 0.00 C ATOM 612 C GLY A 38 1.815 -6.575 -7.464 1.00 0.00 C ATOM 613 O GLY A 38 1.495 -7.680 -7.896 1.00 0.00 O ATOM 0 H GLY A 38 3.276 -4.039 -7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.582 -6.236 -8.618 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.888 -6.708 -6.959 1.00 0.00 H new ATOM 617 N VAL A 39 0.947 -5.754 -6.877 1.00 0.00 N ATOM 618 CA VAL A 39 -0.449 -6.140 -6.715 1.00 0.00 C ATOM 619 C VAL A 39 -1.357 -5.355 -7.660 1.00 0.00 C ATOM 620 O VAL A 39 -2.243 -5.931 -8.295 1.00 0.00 O ATOM 621 CB VAL A 39 -0.939 -5.966 -5.259 1.00 0.00 C ATOM 622 CG1 VAL A 39 -2.399 -6.385 -5.122 1.00 0.00 C ATOM 623 CG2 VAL A 39 -0.062 -6.757 -4.300 1.00 0.00 C ATOM 0 H VAL A 39 1.182 -4.831 -6.511 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.504 -7.199 -6.967 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.865 -4.910 -5.001 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.720 -6.253 -4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.017 -5.769 -5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.505 -7.433 -5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.423 -6.621 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.100 -7.815 -4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.966 -6.402 -4.371 1.00 0.00 H new ATOM 633 N TYR A 40 -1.146 -4.047 -7.766 1.00 0.00 N ATOM 634 CA TYR A 40 -1.990 -3.246 -8.645 1.00 0.00 C ATOM 635 C TYR A 40 -1.215 -2.692 -9.833 1.00 0.00 C ATOM 636 O TYR A 40 -0.058 -2.289 -9.706 1.00 0.00 O ATOM 637 CB TYR A 40 -2.635 -2.086 -7.885 1.00 0.00 C ATOM 638 CG TYR A 40 -4.085 -2.272 -7.520 1.00 0.00 C ATOM 639 CD1 TYR A 40 -4.465 -2.575 -6.218 1.00 0.00 C ATOM 640 CD2 TYR A 40 -5.080 -2.109 -8.473 1.00 0.00 C ATOM 641 CE1 TYR A 40 -5.796 -2.712 -5.881 1.00 0.00 C ATOM 642 CE2 TYR A 40 -6.410 -2.248 -8.145 1.00 0.00 C ATOM 643 CZ TYR A 40 -6.764 -2.548 -6.850 1.00 0.00 C ATOM 644 OH TYR A 40 -8.090 -2.684 -6.522 1.00 0.00 O ATOM 0 H TYR A 40 -0.420 -3.531 -7.270 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.767 -3.914 -9.018 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.068 -1.915 -6.970 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.544 -1.184 -8.490 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.708 -2.705 -5.459 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.807 -1.869 -9.490 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.078 -2.946 -4.865 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.171 -2.122 -8.901 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.178 -3.299 -5.764 1.00 0.00 H new ATOM 654 N ALA A 41 -1.869 -2.677 -10.989 1.00 0.00 N ATOM 655 CA ALA A 41 -1.277 -2.132 -12.198 1.00 0.00 C ATOM 656 C ALA A 41 -1.903 -0.767 -12.478 1.00 0.00 C ATOM 657 O ALA A 41 -3.127 -0.650 -12.568 1.00 0.00 O ATOM 658 CB ALA A 41 -1.487 -3.081 -13.369 1.00 0.00 C ATOM 0 H ALA A 41 -2.815 -3.039 -11.111 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.202 -2.014 -12.063 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.037 -2.657 -14.266 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.020 -4.041 -13.148 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.555 -3.226 -13.533 1.00 0.00 H new ATOM 664 N LEU A 42 -1.072 0.263 -12.610 1.00 0.00 N ATOM 665 CA LEU A 42 -1.579 1.614 -12.837 1.00 0.00 C ATOM 666 C LEU A 42 -1.567 1.996 -14.315 1.00 0.00 C ATOM 667 O LEU A 42 -0.552 1.875 -15.000 1.00 0.00 O ATOM 668 CB LEU A 42 -0.768 2.631 -12.024 1.00 0.00 C ATOM 669 CG LEU A 42 -1.204 4.095 -12.174 1.00 0.00 C ATOM 670 CD1 LEU A 42 -2.636 4.286 -11.691 1.00 0.00 C ATOM 671 CD2 LEU A 42 -0.259 5.012 -11.414 1.00 0.00 C ATOM 0 H LEU A 42 -0.056 0.191 -12.565 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.617 1.628 -12.505 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.828 2.358 -10.970 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.279 2.550 -12.315 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.164 4.355 -13.232 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.923 5.331 -11.807 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.305 3.659 -12.280 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.706 4.005 -10.640 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.583 6.046 -11.531 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.267 4.747 -10.357 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.751 4.901 -11.808 1.00 0.00 H new ATOM 683 N LYS A 43 -2.719 2.461 -14.785 1.00 0.00 N ATOM 684 CA LYS A 43 -2.894 2.892 -16.160 1.00 0.00 C ATOM 685 C LYS A 43 -3.437 4.314 -16.169 1.00 0.00 C ATOM 686 O LYS A 43 -4.577 4.559 -15.798 1.00 0.00 O ATOM 687 CB LYS A 43 -3.847 1.961 -16.909 1.00 0.00 C ATOM 688 CG LYS A 43 -3.177 1.115 -17.976 1.00 0.00 C ATOM 689 CD LYS A 43 -2.736 -0.234 -17.435 1.00 0.00 C ATOM 690 CE LYS A 43 -2.467 -1.215 -18.563 1.00 0.00 C ATOM 691 NZ LYS A 43 -1.227 -0.871 -19.314 1.00 0.00 N ATOM 0 H LYS A 43 -3.561 2.549 -14.216 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.929 2.860 -16.666 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.333 1.302 -16.190 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.631 2.559 -17.374 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.867 0.965 -18.807 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.312 1.648 -18.372 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.835 -0.111 -16.833 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.507 -0.635 -16.777 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.377 -2.222 -18.155 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.315 -1.223 -19.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.079 -1.564 -20.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.323 0.080 -19.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.413 -0.888 -18.667 1.00 0.00 H new ATOM 705 N VAL A 44 -2.606 5.245 -16.593 1.00 0.00 N ATOM 706 CA VAL A 44 -2.977 6.652 -16.640 1.00 0.00 C ATOM 707 C VAL A 44 -3.413 7.058 -18.041 1.00 0.00 C ATOM 708 O VAL A 44 -2.718 6.814 -19.028 1.00 0.00 O ATOM 709 CB VAL A 44 -1.804 7.527 -16.157 1.00 0.00 C ATOM 710 CG1 VAL A 44 -2.121 9.010 -16.292 1.00 0.00 C ATOM 711 CG2 VAL A 44 -1.456 7.188 -14.715 1.00 0.00 C ATOM 0 H VAL A 44 -1.657 5.052 -16.914 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.825 6.805 -15.972 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.943 7.314 -16.791 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.272 9.597 -15.942 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.319 9.246 -17.338 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.999 9.250 -15.693 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.626 7.812 -14.385 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.322 7.370 -14.079 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.170 6.138 -14.647 1.00 0.00 H new ATOM 721 N ILE A 45 -4.584 7.682 -18.100 1.00 0.00 N ATOM 722 CA ILE A 45 -5.183 8.115 -19.344 1.00 0.00 C ATOM 723 C ILE A 45 -5.183 9.643 -19.413 1.00 0.00 C ATOM 724 O ILE A 45 -5.817 10.302 -18.585 1.00 0.00 O ATOM 725 CB ILE A 45 -6.645 7.609 -19.408 1.00 0.00 C ATOM 726 CG1 ILE A 45 -6.711 6.100 -19.125 1.00 0.00 C ATOM 727 CG2 ILE A 45 -7.304 7.937 -20.748 1.00 0.00 C ATOM 728 CD1 ILE A 45 -5.930 5.239 -20.093 1.00 0.00 C ATOM 0 H ILE A 45 -5.144 7.900 -17.276 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.610 7.712 -20.179 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.205 8.133 -18.633 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.340 5.917 -18.117 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.755 5.787 -19.142 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.328 7.564 -20.751 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.310 9.017 -20.896 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.744 7.464 -21.554 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.035 4.191 -19.814 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.314 5.386 -21.102 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.877 5.519 -20.061 1.00 0.00 H new ATOM 740 N ASP A 46 -4.465 10.209 -20.380 1.00 0.00 N ATOM 741 CA ASP A 46 -4.422 11.661 -20.528 1.00 0.00 C ATOM 742 C ASP A 46 -5.599 12.111 -21.384 1.00 0.00 C ATOM 743 O ASP A 46 -5.576 11.968 -22.609 1.00 0.00 O ATOM 744 CB ASP A 46 -3.099 12.096 -21.167 1.00 0.00 C ATOM 745 CG ASP A 46 -2.879 13.601 -21.107 1.00 0.00 C ATOM 746 OD1 ASP A 46 -3.868 14.355 -20.974 1.00 0.00 O ATOM 747 OD2 ASP A 46 -1.709 14.026 -21.178 1.00 0.00 O ATOM 0 H ASP A 46 -3.912 9.693 -21.064 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.491 12.126 -19.545 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.275 11.593 -20.662 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.080 11.772 -22.208 1.00 0.00 H new ATOM 752 N VAL A 47 -6.616 12.661 -20.738 1.00 0.00 N ATOM 753 CA VAL A 47 -7.826 13.094 -21.433 1.00 0.00 C ATOM 754 C VAL A 47 -7.605 14.288 -22.377 1.00 0.00 C ATOM 755 O VAL A 47 -8.280 14.389 -23.401 1.00 0.00 O ATOM 756 CB VAL A 47 -8.953 13.425 -20.429 1.00 0.00 C ATOM 757 CG1 VAL A 47 -9.247 12.217 -19.548 1.00 0.00 C ATOM 758 CG2 VAL A 47 -8.602 14.636 -19.577 1.00 0.00 C ATOM 0 H VAL A 47 -6.630 12.820 -19.731 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.121 12.249 -22.056 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.849 13.672 -20.999 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.043 12.464 -18.845 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.560 11.380 -20.171 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.348 11.942 -18.996 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.417 14.840 -18.882 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.689 14.434 -19.017 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.449 15.502 -20.221 1.00 0.00 H new ATOM 768 N LEU A 48 -6.682 15.193 -22.043 1.00 0.00 N ATOM 769 CA LEU A 48 -6.429 16.357 -22.901 1.00 0.00 C ATOM 770 C LEU A 48 -5.747 15.979 -24.215 1.00 0.00 C ATOM 771 O LEU A 48 -6.063 16.541 -25.263 1.00 0.00 O ATOM 772 CB LEU A 48 -5.613 17.433 -22.178 1.00 0.00 C ATOM 773 CG LEU A 48 -6.359 18.176 -21.066 1.00 0.00 C ATOM 774 CD1 LEU A 48 -5.427 19.140 -20.351 1.00 0.00 C ATOM 775 CD2 LEU A 48 -7.562 18.918 -21.631 1.00 0.00 C ATOM 0 H LEU A 48 -6.107 15.147 -21.202 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.410 16.768 -23.140 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.725 16.967 -21.750 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.269 18.161 -22.913 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.716 17.442 -20.344 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.974 19.659 -19.564 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.598 18.586 -19.911 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.039 19.868 -21.064 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.079 19.440 -20.826 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.227 19.641 -22.375 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.243 18.206 -22.098 1.00 0.00 H new ATOM 787 N LYS A 49 -4.807 15.037 -24.160 1.00 0.00 N ATOM 788 CA LYS A 49 -4.099 14.607 -25.366 1.00 0.00 C ATOM 789 C LYS A 49 -5.008 13.804 -26.288 1.00 0.00 C ATOM 790 O LYS A 49 -4.920 13.919 -27.510 1.00 0.00 O ATOM 791 CB LYS A 49 -2.847 13.798 -25.029 1.00 0.00 C ATOM 792 CG LYS A 49 -1.722 14.639 -24.445 1.00 0.00 C ATOM 793 CD LYS A 49 -0.477 13.803 -24.210 1.00 0.00 C ATOM 794 CE LYS A 49 0.695 14.657 -23.754 1.00 0.00 C ATOM 795 NZ LYS A 49 0.430 15.318 -22.447 1.00 0.00 N ATOM 0 H LYS A 49 -4.520 14.561 -23.305 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.789 15.512 -25.888 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.110 13.014 -24.319 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.489 13.303 -25.932 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.489 15.460 -25.123 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.047 15.084 -23.505 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.686 13.041 -23.459 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.211 13.280 -25.129 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.586 14.035 -23.671 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.905 15.416 -24.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.282 15.266 -21.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.180 16.315 -22.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.357 14.836 -21.967 1.00 0.00 H new ATOM 809 N ASN A 50 -5.877 12.988 -25.705 1.00 0.00 N ATOM 810 CA ASN A 50 -6.794 12.183 -26.500 1.00 0.00 C ATOM 811 C ASN A 50 -8.216 12.358 -26.003 1.00 0.00 C ATOM 812 O ASN A 50 -8.699 11.585 -25.170 1.00 0.00 O ATOM 813 CB ASN A 50 -6.414 10.709 -26.441 1.00 0.00 C ATOM 814 CG ASN A 50 -7.058 9.897 -27.550 1.00 0.00 C ATOM 815 OD1 ASN A 50 -8.255 10.016 -27.813 1.00 0.00 O ATOM 816 ND2 ASN A 50 -6.265 9.066 -28.214 1.00 0.00 N ATOM 0 H ASN A 50 -5.966 12.867 -24.696 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.728 12.522 -27.534 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.330 10.614 -26.508 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.711 10.299 -25.476 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.642 8.498 -28.972 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.278 8.996 -27.966 1.00 0.00 H new ATOM 823 N PRO A 51 -8.897 13.388 -26.509 1.00 0.00 N ATOM 824 CA PRO A 51 -10.276 13.694 -26.130 1.00 0.00 C ATOM 825 C PRO A 51 -11.246 12.570 -26.486 1.00 0.00 C ATOM 826 O PRO A 51 -12.275 12.396 -25.834 1.00 0.00 O ATOM 827 CB PRO A 51 -10.592 14.967 -26.928 1.00 0.00 C ATOM 828 CG PRO A 51 -9.255 15.530 -27.273 1.00 0.00 C ATOM 829 CD PRO A 51 -8.381 14.342 -27.502 1.00 0.00 C ATOM 0 HA PRO A 51 -10.384 13.818 -25.052 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.171 14.741 -27.823 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.179 15.671 -26.338 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.309 16.157 -28.163 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.870 16.154 -26.466 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.469 13.960 -28.519 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.328 14.572 -27.338 1.00 0.00 H new ATOM 837 N GLN A 52 -10.907 11.816 -27.531 1.00 0.00 N ATOM 838 CA GLN A 52 -11.738 10.706 -27.987 1.00 0.00 C ATOM 839 C GLN A 52 -11.841 9.645 -26.908 1.00 0.00 C ATOM 840 O GLN A 52 -12.922 9.123 -26.650 1.00 0.00 O ATOM 841 CB GLN A 52 -11.155 10.091 -29.263 1.00 0.00 C ATOM 842 CG GLN A 52 -12.041 9.024 -29.890 1.00 0.00 C ATOM 843 CD GLN A 52 -11.477 8.487 -31.193 1.00 0.00 C ATOM 844 OE1 GLN A 52 -10.435 8.937 -31.664 1.00 0.00 O ATOM 845 NE2 GLN A 52 -12.168 7.521 -31.783 1.00 0.00 N ATOM 0 H GLN A 52 -10.058 11.956 -28.079 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.735 11.091 -28.203 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.985 10.883 -29.992 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.183 9.654 -29.034 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -12.166 8.201 -29.186 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.032 9.441 -30.072 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -13.029 7.176 -31.357 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.839 7.123 -32.662 1.00 0.00 H new ATOM 854 N LEU A 53 -10.721 9.353 -26.257 1.00 0.00 N ATOM 855 CA LEU A 53 -10.713 8.343 -25.210 1.00 0.00 C ATOM 856 C LEU A 53 -11.472 8.851 -23.994 1.00 0.00 C ATOM 857 O LEU A 53 -12.158 8.085 -23.314 1.00 0.00 O ATOM 858 CB LEU A 53 -9.292 7.922 -24.838 1.00 0.00 C ATOM 859 CG LEU A 53 -8.528 7.201 -25.950 1.00 0.00 C ATOM 860 CD1 LEU A 53 -7.107 6.887 -25.508 1.00 0.00 C ATOM 861 CD2 LEU A 53 -9.256 5.933 -26.369 1.00 0.00 C ATOM 0 H LEU A 53 -9.819 9.795 -26.433 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.215 7.454 -25.592 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.730 8.809 -24.545 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.337 7.271 -23.965 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.477 7.863 -26.814 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.580 6.374 -26.313 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.587 7.815 -25.268 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.133 6.247 -24.626 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.695 5.436 -27.161 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.345 5.264 -25.513 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.251 6.188 -26.734 1.00 0.00 H new ATOM 873 N ALA A 54 -11.338 10.151 -23.720 1.00 0.00 N ATOM 874 CA ALA A 54 -12.033 10.768 -22.601 1.00 0.00 C ATOM 875 C ALA A 54 -13.538 10.696 -22.818 1.00 0.00 C ATOM 876 O ALA A 54 -14.295 10.418 -21.896 1.00 0.00 O ATOM 877 CB ALA A 54 -11.595 12.213 -22.427 1.00 0.00 C ATOM 0 H ALA A 54 -10.755 10.791 -24.260 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.779 10.222 -21.692 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.127 12.656 -21.585 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.522 12.248 -22.237 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.821 12.774 -23.334 1.00 0.00 H new ATOM 883 N GLU A 55 -13.953 10.963 -24.055 1.00 0.00 N ATOM 884 CA GLU A 55 -15.361 10.909 -24.434 1.00 0.00 C ATOM 885 C GLU A 55 -15.872 9.473 -24.383 1.00 0.00 C ATOM 886 O GLU A 55 -17.005 9.226 -23.968 1.00 0.00 O ATOM 887 CB GLU A 55 -15.575 11.493 -25.832 1.00 0.00 C ATOM 888 CG GLU A 55 -17.038 11.541 -26.254 1.00 0.00 C ATOM 889 CD GLU A 55 -17.237 12.161 -27.625 1.00 0.00 C ATOM 890 OE1 GLU A 55 -16.230 12.547 -28.256 1.00 0.00 O ATOM 891 OE2 GLU A 55 -18.401 12.260 -28.066 1.00 0.00 O ATOM 0 H GLU A 55 -13.326 11.221 -24.817 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.924 11.510 -23.721 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.163 12.502 -25.862 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.016 10.899 -26.555 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.444 10.529 -26.256 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.605 12.110 -25.517 1.00 0.00 H new ATOM 898 N GLU A 56 -15.030 8.531 -24.806 1.00 0.00 N ATOM 899 CA GLU A 56 -15.398 7.118 -24.807 1.00 0.00 C ATOM 900 C GLU A 56 -15.708 6.645 -23.388 1.00 0.00 C ATOM 901 O GLU A 56 -16.652 5.887 -23.174 1.00 0.00 O ATOM 902 CB GLU A 56 -14.268 6.271 -25.403 1.00 0.00 C ATOM 903 CG GLU A 56 -14.058 6.477 -26.899 1.00 0.00 C ATOM 904 CD GLU A 56 -15.288 6.143 -27.721 1.00 0.00 C ATOM 905 OE1 GLU A 56 -15.862 5.054 -27.516 1.00 0.00 O ATOM 906 OE2 GLU A 56 -15.675 6.973 -28.572 1.00 0.00 O ATOM 0 H GLU A 56 -14.090 8.722 -25.152 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.291 6.998 -25.421 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.340 6.504 -24.881 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.482 5.218 -25.219 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.776 7.514 -27.081 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.226 5.857 -27.232 1.00 0.00 H new ATOM 913 N ASP A 57 -14.911 7.093 -22.419 1.00 0.00 N ATOM 914 CA ASP A 57 -15.141 6.717 -21.025 1.00 0.00 C ATOM 915 C ASP A 57 -15.920 7.805 -20.283 1.00 0.00 C ATOM 916 O ASP A 57 -16.060 7.748 -19.060 1.00 0.00 O ATOM 917 CB ASP A 57 -13.823 6.382 -20.308 1.00 0.00 C ATOM 918 CG ASP A 57 -13.221 5.069 -20.771 1.00 0.00 C ATOM 919 OD1 ASP A 57 -13.935 4.279 -21.422 1.00 0.00 O ATOM 920 OD2 ASP A 57 -12.027 4.833 -20.483 1.00 0.00 O ATOM 0 H ASP A 57 -14.111 7.708 -22.570 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.750 5.813 -21.022 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.107 7.186 -20.479 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.000 6.337 -19.233 1.00 0.00 H new ATOM 925 N LYS A 58 -16.424 8.783 -21.045 1.00 0.00 N ATOM 926 CA LYS A 58 -17.231 9.892 -20.514 1.00 0.00 C ATOM 927 C LYS A 58 -16.582 10.583 -19.315 1.00 0.00 C ATOM 928 O LYS A 58 -17.207 10.754 -18.266 1.00 0.00 O ATOM 929 CB LYS A 58 -18.637 9.403 -20.157 1.00 0.00 C ATOM 930 CG LYS A 58 -19.433 8.926 -21.364 1.00 0.00 C ATOM 931 CD LYS A 58 -20.826 8.462 -20.967 1.00 0.00 C ATOM 932 CE LYS A 58 -21.606 7.949 -22.167 1.00 0.00 C ATOM 933 NZ LYS A 58 -21.827 9.014 -23.184 1.00 0.00 N ATOM 0 H LYS A 58 -16.283 8.829 -22.054 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.297 10.640 -21.304 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.559 8.588 -19.437 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.182 10.210 -19.667 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.511 9.734 -22.091 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -18.902 8.109 -21.851 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.748 7.674 -20.218 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.368 9.288 -20.506 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -21.066 7.119 -22.623 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -22.568 7.559 -21.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -22.526 8.688 -23.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.179 9.873 -22.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.930 9.225 -23.666 1.00 0.00 H new ATOM 947 N ILE A 59 -15.334 10.989 -19.480 1.00 0.00 N ATOM 948 CA ILE A 59 -14.605 11.663 -18.416 1.00 0.00 C ATOM 949 C ILE A 59 -14.851 13.171 -18.468 1.00 0.00 C ATOM 950 O ILE A 59 -14.366 13.860 -19.367 1.00 0.00 O ATOM 951 CB ILE A 59 -13.091 11.381 -18.524 1.00 0.00 C ATOM 952 CG1 ILE A 59 -12.831 9.871 -18.523 1.00 0.00 C ATOM 953 CG2 ILE A 59 -12.329 12.058 -17.392 1.00 0.00 C ATOM 954 CD1 ILE A 59 -13.330 9.167 -17.279 1.00 0.00 C ATOM 0 H ILE A 59 -14.803 10.864 -20.342 1.00 0.00 H new ATOM 0 HA ILE A 59 -14.968 11.275 -17.464 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.731 11.796 -19.466 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -13.310 9.429 -19.397 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -11.760 9.696 -18.624 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -11.265 11.844 -17.491 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.488 13.135 -17.439 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -12.688 11.680 -16.435 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -13.110 8.102 -17.351 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.833 9.582 -16.402 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.407 9.310 -17.187 1.00 0.00 H new ATOM 966 N LEU A 60 -15.614 13.675 -17.500 1.00 0.00 N ATOM 967 CA LEU A 60 -15.929 15.101 -17.440 1.00 0.00 C ATOM 968 C LEU A 60 -15.159 15.807 -16.324 1.00 0.00 C ATOM 969 O LEU A 60 -15.138 17.036 -16.261 1.00 0.00 O ATOM 970 CB LEU A 60 -17.434 15.302 -17.237 1.00 0.00 C ATOM 971 CG LEU A 60 -18.327 14.708 -18.331 1.00 0.00 C ATOM 972 CD1 LEU A 60 -19.795 14.900 -17.983 1.00 0.00 C ATOM 973 CD2 LEU A 60 -18.013 15.338 -19.681 1.00 0.00 C ATOM 0 H LEU A 60 -16.024 13.120 -16.749 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.625 15.543 -18.389 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.717 14.862 -16.281 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.635 16.371 -17.167 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.124 13.639 -18.396 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -20.415 14.472 -18.771 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.013 14.401 -17.039 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -20.011 15.964 -17.890 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.658 14.903 -20.444 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.186 16.413 -19.630 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.970 15.150 -19.937 1.00 0.00 H new ATOM 985 N ALA A 61 -14.529 15.033 -15.446 1.00 0.00 N ATOM 986 CA ALA A 61 -13.772 15.606 -14.335 1.00 0.00 C ATOM 987 C ALA A 61 -12.471 14.849 -14.108 1.00 0.00 C ATOM 988 O ALA A 61 -12.442 13.624 -14.176 1.00 0.00 O ATOM 989 CB ALA A 61 -14.612 15.600 -13.064 1.00 0.00 C ATOM 0 H ALA A 61 -14.526 14.014 -15.480 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.524 16.636 -14.592 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.035 16.030 -12.245 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.514 16.191 -13.221 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.888 14.575 -12.815 1.00 0.00 H new ATOM 995 N THR A 62 -11.404 15.587 -13.824 1.00 0.00 N ATOM 996 CA THR A 62 -10.095 15.005 -13.581 1.00 0.00 C ATOM 997 C THR A 62 -9.464 15.604 -12.325 1.00 0.00 C ATOM 998 O THR A 62 -9.694 16.772 -12.005 1.00 0.00 O ATOM 999 CB THR A 62 -9.136 15.260 -14.764 1.00 0.00 C ATOM 1000 OG1 THR A 62 -9.040 16.667 -15.014 1.00 0.00 O ATOM 1001 CG2 THR A 62 -9.592 14.549 -16.030 1.00 0.00 C ATOM 0 H THR A 62 -11.425 16.605 -13.756 1.00 0.00 H new ATOM 0 HA THR A 62 -10.244 13.932 -13.456 1.00 0.00 H new ATOM 0 HB THR A 62 -8.160 14.860 -14.489 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.150 16.985 -14.754 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.889 14.756 -16.837 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.632 13.475 -15.850 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.582 14.907 -16.312 1.00 0.00 H new ATOM 1009 N PRO A 63 -8.651 14.817 -11.605 1.00 0.00 N ATOM 1010 CA PRO A 63 -8.383 13.424 -11.960 1.00 0.00 C ATOM 1011 C PRO A 63 -9.545 12.491 -11.624 1.00 0.00 C ATOM 1012 O PRO A 63 -10.325 12.743 -10.706 1.00 0.00 O ATOM 1013 CB PRO A 63 -7.154 13.080 -11.120 1.00 0.00 C ATOM 1014 CG PRO A 63 -7.241 13.969 -9.933 1.00 0.00 C ATOM 1015 CD PRO A 63 -7.911 15.235 -10.398 1.00 0.00 C ATOM 0 HA PRO A 63 -8.235 13.300 -13.033 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.156 12.030 -10.828 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.233 13.254 -11.677 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.814 13.497 -9.135 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.250 14.179 -9.532 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.580 15.636 -9.637 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.183 16.014 -10.625 1.00 0.00 H new ATOM 1023 N THR A 64 -9.646 11.416 -12.384 1.00 0.00 N ATOM 1024 CA THR A 64 -10.679 10.410 -12.178 1.00 0.00 C ATOM 1025 C THR A 64 -10.022 9.079 -11.837 1.00 0.00 C ATOM 1026 O THR A 64 -9.201 8.573 -12.602 1.00 0.00 O ATOM 1027 CB THR A 64 -11.562 10.211 -13.426 1.00 0.00 C ATOM 1028 OG1 THR A 64 -11.359 11.283 -14.351 1.00 0.00 O ATOM 1029 CG2 THR A 64 -13.035 10.123 -13.052 1.00 0.00 C ATOM 0 H THR A 64 -9.017 11.213 -13.161 1.00 0.00 H new ATOM 0 HA THR A 64 -11.315 10.760 -11.364 1.00 0.00 H new ATOM 0 HB THR A 64 -11.272 9.270 -13.894 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.891 12.058 -14.075 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.632 9.983 -13.953 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.190 9.279 -12.380 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.340 11.044 -12.555 1.00 0.00 H new ATOM 1037 N LEU A 65 -10.376 8.520 -10.693 1.00 0.00 N ATOM 1038 CA LEU A 65 -9.808 7.252 -10.259 1.00 0.00 C ATOM 1039 C LEU A 65 -10.835 6.142 -10.449 1.00 0.00 C ATOM 1040 O LEU A 65 -11.872 6.140 -9.793 1.00 0.00 O ATOM 1041 CB LEU A 65 -9.403 7.349 -8.784 1.00 0.00 C ATOM 1042 CG LEU A 65 -8.549 6.195 -8.253 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -7.177 6.206 -8.910 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -8.416 6.280 -6.740 1.00 0.00 C ATOM 0 H LEU A 65 -11.054 8.923 -10.046 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.924 7.024 -10.855 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.855 8.280 -8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.309 7.414 -8.181 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.045 5.256 -8.501 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.581 5.380 -8.522 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.289 6.098 -9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.676 7.149 -8.690 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.806 5.451 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.942 7.224 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.405 6.226 -6.284 1.00 0.00 H new ATOM 1056 N ALA A 66 -10.560 5.200 -11.342 1.00 0.00 N ATOM 1057 CA ALA A 66 -11.500 4.108 -11.585 1.00 0.00 C ATOM 1058 C ALA A 66 -10.795 2.772 -11.765 1.00 0.00 C ATOM 1059 O ALA A 66 -9.777 2.667 -12.450 1.00 0.00 O ATOM 1060 CB ALA A 66 -12.363 4.396 -12.803 1.00 0.00 C ATOM 0 H ALA A 66 -9.709 5.167 -11.903 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.133 4.039 -10.700 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.054 3.569 -12.963 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.927 5.314 -12.640 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.727 4.512 -13.680 1.00 0.00 H new ATOM 1066 N LYS A 67 -11.368 1.750 -11.143 1.00 0.00 N ATOM 1067 CA LYS A 67 -10.848 0.401 -11.230 1.00 0.00 C ATOM 1068 C LYS A 67 -11.621 -0.332 -12.310 1.00 0.00 C ATOM 1069 O LYS A 67 -12.777 -0.704 -12.108 1.00 0.00 O ATOM 1070 CB LYS A 67 -11.005 -0.310 -9.879 1.00 0.00 C ATOM 1071 CG LYS A 67 -10.760 -1.816 -9.929 1.00 0.00 C ATOM 1072 CD LYS A 67 -10.563 -2.416 -8.540 1.00 0.00 C ATOM 1073 CE LYS A 67 -11.868 -2.916 -7.927 1.00 0.00 C ATOM 1074 NZ LYS A 67 -12.561 -3.898 -8.804 1.00 0.00 N ATOM 0 H LYS A 67 -12.205 1.837 -10.566 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.787 0.417 -11.480 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.312 0.135 -9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.012 -0.130 -9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.604 -2.303 -10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.879 -2.019 -10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.855 -3.242 -8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.121 -1.666 -7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.661 -3.377 -6.961 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.528 -2.069 -7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.425 -3.468 -9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.930 -4.173 -9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.813 -4.741 -8.250 1.00 0.00 H new ATOM 1088 N VAL A 68 -11.000 -0.525 -13.459 1.00 0.00 N ATOM 1089 CA VAL A 68 -11.669 -1.196 -14.558 1.00 0.00 C ATOM 1090 C VAL A 68 -11.631 -2.709 -14.395 1.00 0.00 C ATOM 1091 O VAL A 68 -12.529 -3.413 -14.861 1.00 0.00 O ATOM 1092 CB VAL A 68 -11.066 -0.792 -15.918 1.00 0.00 C ATOM 1093 CG1 VAL A 68 -11.294 0.689 -16.178 1.00 0.00 C ATOM 1094 CG2 VAL A 68 -9.582 -1.125 -15.982 1.00 0.00 C ATOM 0 H VAL A 68 -10.043 -0.230 -13.655 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.711 -0.876 -14.537 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.570 -1.365 -16.696 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.863 0.960 -17.142 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.364 0.896 -16.188 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.819 1.274 -15.391 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.184 -0.829 -16.953 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.054 -0.588 -15.194 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.444 -2.197 -15.845 1.00 0.00 H new ATOM 1104 N LEU A 69 -10.598 -3.207 -13.725 1.00 0.00 N ATOM 1105 CA LEU A 69 -10.460 -4.645 -13.510 1.00 0.00 C ATOM 1106 C LEU A 69 -10.015 -4.946 -12.084 1.00 0.00 C ATOM 1107 O LEU A 69 -9.130 -4.272 -11.558 1.00 0.00 O ATOM 1108 CB LEU A 69 -9.448 -5.244 -14.497 1.00 0.00 C ATOM 1109 CG LEU A 69 -9.827 -5.147 -15.979 1.00 0.00 C ATOM 1110 CD1 LEU A 69 -8.663 -5.585 -16.855 1.00 0.00 C ATOM 1111 CD2 LEU A 69 -11.057 -5.991 -16.275 1.00 0.00 C ATOM 0 H LEU A 69 -9.849 -2.643 -13.324 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.437 -5.098 -13.676 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.489 -4.746 -14.353 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.302 -6.295 -14.246 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.061 -4.107 -16.204 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.949 -5.510 -17.904 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.803 -4.942 -16.666 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.401 -6.617 -16.623 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.309 -5.908 -17.332 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.850 -7.033 -16.032 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.894 -5.637 -15.673 1.00 0.00 H new ATOM 1123 N PRO A 70 -10.608 -5.968 -11.432 1.00 0.00 N ATOM 1124 CA PRO A 70 -11.686 -6.801 -11.999 1.00 0.00 C ATOM 1125 C PRO A 70 -13.015 -6.045 -12.107 1.00 0.00 C ATOM 1126 O PRO A 70 -13.262 -5.112 -11.344 1.00 0.00 O ATOM 1127 CB PRO A 70 -11.821 -7.957 -10.992 1.00 0.00 C ATOM 1128 CG PRO A 70 -10.610 -7.869 -10.124 1.00 0.00 C ATOM 1129 CD PRO A 70 -10.255 -6.415 -10.080 1.00 0.00 C ATOM 0 HA PRO A 70 -11.451 -7.122 -13.014 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.734 -7.861 -10.404 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.870 -8.919 -11.502 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.814 -8.254 -9.125 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.791 -8.461 -10.532 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.819 -5.881 -9.315 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.198 -6.260 -9.863 1.00 0.00 H new ATOM 1137 N PRO A 71 -13.883 -6.429 -13.063 1.00 0.00 N ATOM 1138 CA PRO A 71 -15.196 -5.795 -13.242 1.00 0.00 C ATOM 1139 C PRO A 71 -16.154 -6.141 -12.096 1.00 0.00 C ATOM 1140 O PRO A 71 -15.983 -7.167 -11.435 1.00 0.00 O ATOM 1141 CB PRO A 71 -15.695 -6.387 -14.563 1.00 0.00 C ATOM 1142 CG PRO A 71 -15.006 -7.702 -14.663 1.00 0.00 C ATOM 1143 CD PRO A 71 -13.646 -7.492 -14.057 1.00 0.00 C ATOM 0 HA PRO A 71 -15.137 -4.707 -13.249 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.779 -6.505 -14.561 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.446 -5.743 -15.406 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.558 -8.476 -14.129 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.927 -8.025 -15.701 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.267 -8.402 -13.591 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.914 -7.188 -14.805 1.00 0.00 H new ATOM 1151 N PRO A 72 -17.186 -5.307 -11.839 1.00 0.00 N ATOM 1152 CA PRO A 72 -17.465 -4.072 -12.595 1.00 0.00 C ATOM 1153 C PRO A 72 -16.500 -2.932 -12.272 1.00 0.00 C ATOM 1154 O PRO A 72 -15.744 -2.995 -11.303 1.00 0.00 O ATOM 1155 CB PRO A 72 -18.883 -3.712 -12.150 1.00 0.00 C ATOM 1156 CG PRO A 72 -18.983 -4.252 -10.767 1.00 0.00 C ATOM 1157 CD PRO A 72 -18.180 -5.525 -10.768 1.00 0.00 C ATOM 0 HA PRO A 72 -17.352 -4.224 -13.668 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -19.044 -2.634 -12.169 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -19.631 -4.158 -12.806 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.590 -3.542 -10.040 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -20.021 -4.444 -10.496 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.700 -5.697 -9.805 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -18.806 -6.394 -10.972 1.00 0.00 H new ATOM 1165 N VAL A 73 -16.539 -1.889 -13.098 1.00 0.00 N ATOM 1166 CA VAL A 73 -15.669 -0.732 -12.923 1.00 0.00 C ATOM 1167 C VAL A 73 -16.077 0.089 -11.695 1.00 0.00 C ATOM 1168 O VAL A 73 -17.232 0.493 -11.556 1.00 0.00 O ATOM 1169 CB VAL A 73 -15.697 0.175 -14.177 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -14.812 1.400 -13.992 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -15.280 -0.611 -15.413 1.00 0.00 C ATOM 0 H VAL A 73 -17.168 -1.823 -13.899 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.657 -1.109 -12.775 1.00 0.00 H new ATOM 0 HB VAL A 73 -16.720 0.524 -14.318 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.853 2.017 -14.890 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.165 1.978 -13.138 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.784 1.083 -13.816 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.305 0.042 -16.285 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.269 -0.995 -15.276 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.967 -1.444 -15.563 1.00 0.00 H new ATOM 1181 N ARG A 74 -15.110 0.327 -10.813 1.00 0.00 N ATOM 1182 CA ARG A 74 -15.341 1.099 -9.595 1.00 0.00 C ATOM 1183 C ARG A 74 -14.706 2.475 -9.708 1.00 0.00 C ATOM 1184 O ARG A 74 -13.491 2.598 -9.835 1.00 0.00 O ATOM 1185 CB ARG A 74 -14.775 0.342 -8.384 1.00 0.00 C ATOM 1186 CG ARG A 74 -14.722 1.159 -7.098 1.00 0.00 C ATOM 1187 CD ARG A 74 -16.111 1.566 -6.625 1.00 0.00 C ATOM 1188 NE ARG A 74 -16.928 0.410 -6.261 1.00 0.00 N ATOM 1189 CZ ARG A 74 -18.215 0.491 -5.933 1.00 0.00 C ATOM 1190 NH1 ARG A 74 -18.825 1.669 -5.920 1.00 0.00 N ATOM 1191 NH2 ARG A 74 -18.889 -0.607 -5.618 1.00 0.00 N ATOM 0 H ARG A 74 -14.152 -0.006 -10.920 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.414 1.231 -9.459 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.382 -0.547 -8.211 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.769 -0.001 -8.624 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.229 0.578 -6.319 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.118 2.052 -7.260 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.021 2.231 -5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.611 2.129 -7.413 1.00 0.00 H new ATOM 0 HE ARG A 74 -16.487 -0.510 -6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.307 2.514 -6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.812 1.730 -5.668 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -18.421 -1.513 -5.627 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -19.876 -0.545 -5.366 1.00 0.00 H new ATOM 1205 N ARG A 75 -15.531 3.511 -9.650 1.00 0.00 N ATOM 1206 CA ARG A 75 -15.032 4.872 -9.743 1.00 0.00 C ATOM 1207 C ARG A 75 -14.967 5.521 -8.370 1.00 0.00 C ATOM 1208 O ARG A 75 -15.965 5.605 -7.654 1.00 0.00 O ATOM 1209 CB ARG A 75 -15.900 5.716 -10.669 1.00 0.00 C ATOM 1210 CG ARG A 75 -15.770 5.354 -12.139 1.00 0.00 C ATOM 1211 CD ARG A 75 -16.473 6.369 -13.022 1.00 0.00 C ATOM 1212 NE ARG A 75 -17.921 6.371 -12.817 1.00 0.00 N ATOM 1213 CZ ARG A 75 -18.766 5.578 -13.474 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -18.311 4.723 -14.381 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -20.067 5.643 -13.222 1.00 0.00 N ATOM 0 H ARG A 75 -16.542 3.434 -9.540 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.026 4.821 -10.159 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.943 5.609 -10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.637 6.766 -10.539 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.716 5.301 -12.411 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.194 4.364 -12.311 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.077 7.363 -12.816 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.256 6.150 -14.068 1.00 0.00 H new ATOM 0 HE ARG A 75 -18.307 7.018 -12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.311 4.671 -14.577 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.961 4.117 -14.882 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -20.419 6.300 -12.526 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.715 5.036 -13.725 1.00 0.00 H new ATOM 1229 N ILE A 76 -13.779 5.972 -8.019 1.00 0.00 N ATOM 1230 CA ILE A 76 -13.544 6.636 -6.750 1.00 0.00 C ATOM 1231 C ILE A 76 -13.381 8.139 -6.980 1.00 0.00 C ATOM 1232 O ILE A 76 -12.451 8.572 -7.663 1.00 0.00 O ATOM 1233 CB ILE A 76 -12.285 6.079 -6.061 1.00 0.00 C ATOM 1234 CG1 ILE A 76 -12.425 4.567 -5.877 1.00 0.00 C ATOM 1235 CG2 ILE A 76 -12.052 6.763 -4.718 1.00 0.00 C ATOM 1236 CD1 ILE A 76 -11.188 3.915 -5.327 1.00 0.00 C ATOM 0 H ILE A 76 -12.948 5.889 -8.605 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.401 6.452 -6.102 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.421 6.283 -6.693 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.261 4.366 -5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.670 4.113 -6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.157 6.352 -4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.922 7.834 -4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.911 6.592 -4.069 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.358 2.843 -5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.354 4.085 -6.007 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.954 4.343 -4.352 1.00 0.00 H new ATOM 1248 N ILE A 77 -14.286 8.934 -6.416 1.00 0.00 N ATOM 1249 CA ILE A 77 -14.235 10.383 -6.585 1.00 0.00 C ATOM 1250 C ILE A 77 -14.022 11.079 -5.243 1.00 0.00 C ATOM 1251 O ILE A 77 -14.765 10.849 -4.288 1.00 0.00 O ATOM 1252 CB ILE A 77 -15.529 10.922 -7.243 1.00 0.00 C ATOM 1253 CG1 ILE A 77 -15.793 10.217 -8.580 1.00 0.00 C ATOM 1254 CG2 ILE A 77 -15.447 12.431 -7.450 1.00 0.00 C ATOM 1255 CD1 ILE A 77 -14.691 10.407 -9.605 1.00 0.00 C ATOM 0 H ILE A 77 -15.060 8.602 -5.841 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.393 10.600 -7.242 1.00 0.00 H new ATOM 0 HB ILE A 77 -16.359 10.712 -6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.925 9.151 -8.397 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -16.730 10.588 -8.996 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.368 12.785 -7.914 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.313 12.924 -6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -14.602 12.664 -8.098 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -14.952 9.879 -10.522 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -14.573 11.469 -9.819 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -13.755 10.010 -9.211 1.00 0.00 H new ATOM 1267 N GLY A 78 -12.998 11.923 -5.175 1.00 0.00 N ATOM 1268 CA GLY A 78 -12.700 12.640 -3.951 1.00 0.00 C ATOM 1269 C GLY A 78 -11.359 13.339 -4.022 1.00 0.00 C ATOM 1270 O GLY A 78 -10.778 13.460 -5.101 1.00 0.00 O ATOM 0 H GLY A 78 -12.367 12.123 -5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.483 13.374 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.703 11.944 -3.112 1.00 0.00 H new ATOM 1274 N ASP A 79 -10.863 13.799 -2.879 1.00 0.00 N ATOM 1275 CA ASP A 79 -9.573 14.479 -2.835 1.00 0.00 C ATOM 1276 C ASP A 79 -8.453 13.445 -2.774 1.00 0.00 C ATOM 1277 O ASP A 79 -8.172 12.883 -1.715 1.00 0.00 O ATOM 1278 CB ASP A 79 -9.494 15.413 -1.622 1.00 0.00 C ATOM 1279 CG ASP A 79 -8.206 16.216 -1.583 1.00 0.00 C ATOM 1280 OD1 ASP A 79 -7.498 16.262 -2.614 1.00 0.00 O ATOM 1281 OD2 ASP A 79 -7.904 16.798 -0.522 1.00 0.00 O ATOM 0 H ASP A 79 -11.330 13.715 -1.976 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.462 15.081 -3.737 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.343 16.096 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.578 14.824 -0.709 1.00 0.00 H new ATOM 1286 N LEU A 80 -7.811 13.211 -3.911 1.00 0.00 N ATOM 1287 CA LEU A 80 -6.740 12.225 -3.995 1.00 0.00 C ATOM 1288 C LEU A 80 -5.373 12.835 -3.694 1.00 0.00 C ATOM 1289 O LEU A 80 -4.361 12.138 -3.727 1.00 0.00 O ATOM 1290 CB LEU A 80 -6.715 11.581 -5.383 1.00 0.00 C ATOM 1291 CG LEU A 80 -7.989 10.838 -5.788 1.00 0.00 C ATOM 1292 CD1 LEU A 80 -7.871 10.330 -7.216 1.00 0.00 C ATOM 1293 CD2 LEU A 80 -8.265 9.684 -4.834 1.00 0.00 C ATOM 0 H LEU A 80 -8.013 13.690 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.945 11.467 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.519 12.358 -6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.879 10.883 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.826 11.534 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.785 9.803 -7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.721 11.173 -7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.023 9.649 -7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.176 9.169 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.428 8.986 -4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.389 10.070 -3.822 1.00 0.00 H new ATOM 1305 N SER A 81 -5.337 14.136 -3.420 1.00 0.00 N ATOM 1306 CA SER A 81 -4.078 14.806 -3.102 1.00 0.00 C ATOM 1307 C SER A 81 -3.554 14.320 -1.752 1.00 0.00 C ATOM 1308 O SER A 81 -2.359 14.395 -1.468 1.00 0.00 O ATOM 1309 CB SER A 81 -4.264 16.324 -3.086 1.00 0.00 C ATOM 1310 OG SER A 81 -4.668 16.803 -4.358 1.00 0.00 O ATOM 0 H SER A 81 -6.156 14.743 -3.411 1.00 0.00 H new ATOM 0 HA SER A 81 -3.348 14.560 -3.873 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.010 16.594 -2.339 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.331 16.805 -2.793 1.00 0.00 H new ATOM 0 HG SER A 81 -4.782 17.776 -4.320 1.00 0.00 H new ATOM 1316 N ASN A 82 -4.471 13.836 -0.921 1.00 0.00 N ATOM 1317 CA ASN A 82 -4.124 13.306 0.389 1.00 0.00 C ATOM 1318 C ASN A 82 -3.689 11.851 0.249 1.00 0.00 C ATOM 1319 O ASN A 82 -4.466 11.001 -0.195 1.00 0.00 O ATOM 1320 CB ASN A 82 -5.315 13.427 1.343 1.00 0.00 C ATOM 1321 CG ASN A 82 -4.998 12.982 2.762 1.00 0.00 C ATOM 1322 OD1 ASN A 82 -3.875 12.585 3.074 1.00 0.00 O ATOM 1323 ND2 ASN A 82 -5.994 13.045 3.636 1.00 0.00 N ATOM 0 H ASN A 82 -5.468 13.801 -1.136 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.298 13.883 0.806 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.653 14.463 1.362 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.142 12.829 0.959 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.843 12.759 4.603 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.911 13.379 3.341 1.00 0.00 H new ATOM 1330 N ARG A 83 -2.446 11.575 0.633 1.00 0.00 N ATOM 1331 CA ARG A 83 -1.886 10.228 0.526 1.00 0.00 C ATOM 1332 C ARG A 83 -2.687 9.220 1.347 1.00 0.00 C ATOM 1333 O ARG A 83 -2.840 8.070 0.935 1.00 0.00 O ATOM 1334 CB ARG A 83 -0.412 10.209 0.940 1.00 0.00 C ATOM 1335 CG ARG A 83 0.511 10.918 -0.040 1.00 0.00 C ATOM 1336 CD ARG A 83 1.975 10.664 0.292 1.00 0.00 C ATOM 1337 NE ARG A 83 2.356 11.236 1.583 1.00 0.00 N ATOM 1338 CZ ARG A 83 2.787 12.486 1.742 1.00 0.00 C ATOM 1339 NH1 ARG A 83 2.894 13.294 0.695 1.00 0.00 N ATOM 1340 NH2 ARG A 83 3.113 12.925 2.951 1.00 0.00 N ATOM 0 H ARG A 83 -1.805 12.266 1.022 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.952 9.933 -0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.314 10.676 1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.088 9.174 1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.301 10.575 -1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.312 11.990 -0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.162 9.590 0.303 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.603 11.089 -0.491 1.00 0.00 H new ATOM 0 HE ARG A 83 2.288 10.643 2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.646 12.958 -0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.224 14.251 0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.033 12.305 3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.443 13.882 3.074 1.00 0.00 H new ATOM 1354 N GLU A 84 -3.191 9.641 2.507 1.00 0.00 N ATOM 1355 CA GLU A 84 -3.980 8.753 3.358 1.00 0.00 C ATOM 1356 C GLU A 84 -5.221 8.225 2.642 1.00 0.00 C ATOM 1357 O GLU A 84 -5.491 7.029 2.695 1.00 0.00 O ATOM 1358 CB GLU A 84 -4.389 9.466 4.645 1.00 0.00 C ATOM 1359 CG GLU A 84 -3.408 9.247 5.784 1.00 0.00 C ATOM 1360 CD GLU A 84 -3.756 10.052 7.020 1.00 0.00 C ATOM 1361 OE1 GLU A 84 -3.718 11.298 6.945 1.00 0.00 O ATOM 1362 OE2 GLU A 84 -4.068 9.437 8.060 1.00 0.00 O ATOM 0 H GLU A 84 -3.068 10.584 2.876 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.347 7.900 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.477 10.535 4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.375 9.116 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.386 8.188 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.405 9.516 5.451 1.00 0.00 H new ATOM 1369 N LYS A 85 -5.973 9.098 1.968 1.00 0.00 N ATOM 1370 CA LYS A 85 -7.173 8.650 1.255 1.00 0.00 C ATOM 1371 C LYS A 85 -6.805 7.689 0.133 1.00 0.00 C ATOM 1372 O LYS A 85 -7.503 6.699 -0.090 1.00 0.00 O ATOM 1373 CB LYS A 85 -7.985 9.819 0.699 1.00 0.00 C ATOM 1374 CG LYS A 85 -8.710 10.644 1.747 1.00 0.00 C ATOM 1375 CD LYS A 85 -9.492 11.773 1.093 1.00 0.00 C ATOM 1376 CE LYS A 85 -10.160 12.665 2.127 1.00 0.00 C ATOM 1377 NZ LYS A 85 -11.159 11.919 2.942 1.00 0.00 N ATOM 0 H LYS A 85 -5.780 10.097 1.900 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.798 8.131 1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.317 10.474 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.718 9.431 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.388 10.006 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.991 11.055 2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.821 12.370 0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.249 11.355 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.401 13.091 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.651 13.498 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.699 12.588 3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.809 11.408 2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.667 11.240 3.557 1.00 0.00 H new ATOM 1391 N VAL A 86 -5.719 7.982 -0.572 1.00 0.00 N ATOM 1392 CA VAL A 86 -5.258 7.111 -1.644 1.00 0.00 C ATOM 1393 C VAL A 86 -4.881 5.740 -1.084 1.00 0.00 C ATOM 1394 O VAL A 86 -5.246 4.710 -1.648 1.00 0.00 O ATOM 1395 CB VAL A 86 -4.071 7.737 -2.417 1.00 0.00 C ATOM 1396 CG1 VAL A 86 -3.469 6.738 -3.394 1.00 0.00 C ATOM 1397 CG2 VAL A 86 -4.542 8.982 -3.148 1.00 0.00 C ATOM 0 H VAL A 86 -5.145 8.811 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.076 6.987 -2.353 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.294 8.012 -1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.638 7.203 -3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.109 5.866 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.229 6.428 -4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.706 9.423 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.332 8.715 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.926 9.704 -2.427 1.00 0.00 H new ATOM 1407 N LEU A 87 -4.174 5.736 0.043 1.00 0.00 N ATOM 1408 CA LEU A 87 -3.772 4.491 0.692 1.00 0.00 C ATOM 1409 C LEU A 87 -4.974 3.730 1.238 1.00 0.00 C ATOM 1410 O LEU A 87 -5.069 2.520 1.059 1.00 0.00 O ATOM 1411 CB LEU A 87 -2.792 4.767 1.830 1.00 0.00 C ATOM 1412 CG LEU A 87 -1.335 4.425 1.540 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -0.426 5.071 2.578 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -1.149 2.911 1.525 1.00 0.00 C ATOM 0 H LEU A 87 -3.868 6.581 0.526 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.286 3.877 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.854 5.823 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.112 4.203 2.706 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.065 4.817 0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.612 4.819 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.551 6.153 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.688 4.703 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.105 2.675 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.428 2.501 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.781 2.474 0.752 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.885 4.435 1.900 1.00 0.00 N ATOM 1427 CA ILE A 88 -7.074 3.802 2.465 1.00 0.00 C ATOM 1428 C ILE A 88 -7.941 3.174 1.372 1.00 0.00 C ATOM 1429 O ILE A 88 -8.361 2.020 1.494 1.00 0.00 O ATOM 1430 CB ILE A 88 -7.896 4.812 3.294 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -7.120 5.170 4.566 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -9.271 4.248 3.638 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -7.664 6.373 5.299 1.00 0.00 C ATOM 0 H ILE A 88 -5.825 5.441 2.059 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.738 3.005 3.129 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.053 5.714 2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.130 4.312 5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.079 5.357 4.304 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.829 4.980 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.814 4.027 2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.154 3.333 4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.061 6.561 6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.629 7.244 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.696 6.183 5.595 1.00 0.00 H new ATOM 1445 N ALA A 89 -8.196 3.928 0.303 1.00 0.00 N ATOM 1446 CA ALA A 89 -9.003 3.427 -0.806 1.00 0.00 C ATOM 1447 C ALA A 89 -8.323 2.244 -1.496 1.00 0.00 C ATOM 1448 O ALA A 89 -8.975 1.256 -1.831 1.00 0.00 O ATOM 1449 CB ALA A 89 -9.296 4.538 -1.802 1.00 0.00 C ATOM 0 H ALA A 89 -7.857 4.882 0.183 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.950 3.074 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.898 4.143 -2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.842 5.339 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.358 4.929 -2.197 1.00 0.00 H new ATOM 1455 N LEU A 90 -7.008 2.346 -1.690 1.00 0.00 N ATOM 1456 CA LEU A 90 -6.237 1.281 -2.333 1.00 0.00 C ATOM 1457 C LEU A 90 -6.171 0.043 -1.439 1.00 0.00 C ATOM 1458 O LEU A 90 -6.239 -1.086 -1.928 1.00 0.00 O ATOM 1459 CB LEU A 90 -4.822 1.767 -2.678 1.00 0.00 C ATOM 1460 CG LEU A 90 -4.625 2.296 -4.104 1.00 0.00 C ATOM 1461 CD1 LEU A 90 -5.762 3.222 -4.517 1.00 0.00 C ATOM 1462 CD2 LEU A 90 -3.293 3.019 -4.207 1.00 0.00 C ATOM 0 H LEU A 90 -6.454 3.156 -1.411 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.744 1.010 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.549 2.556 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.126 0.943 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.627 1.445 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.590 3.578 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.706 2.679 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.804 4.072 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.159 3.392 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.278 3.855 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.485 2.329 -3.965 1.00 0.00 H new ATOM 1474 N ARG A 91 -6.036 0.264 -0.130 1.00 0.00 N ATOM 1475 CA ARG A 91 -5.973 -0.826 0.841 1.00 0.00 C ATOM 1476 C ARG A 91 -7.269 -1.635 0.823 1.00 0.00 C ATOM 1477 O ARG A 91 -7.243 -2.867 0.796 1.00 0.00 O ATOM 1478 CB ARG A 91 -5.737 -0.263 2.248 1.00 0.00 C ATOM 1479 CG ARG A 91 -5.595 -1.330 3.325 1.00 0.00 C ATOM 1480 CD ARG A 91 -5.277 -0.715 4.678 1.00 0.00 C ATOM 1481 NE ARG A 91 -6.369 0.121 5.171 1.00 0.00 N ATOM 1482 CZ ARG A 91 -6.286 0.880 6.260 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -5.163 0.909 6.965 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -7.326 1.610 6.641 1.00 0.00 N ATOM 0 H ARG A 91 -5.968 1.194 0.282 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.145 -1.481 0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.836 0.350 2.237 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.566 0.394 2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.518 -1.905 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.805 -2.027 3.046 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.075 -1.508 5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.369 -0.116 4.600 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.246 0.123 4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.362 0.349 6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.100 1.491 7.800 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.190 1.589 6.099 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.262 2.192 7.476 1.00 0.00 H new ATOM 1498 N LEU A 92 -8.401 -0.930 0.836 1.00 0.00 N ATOM 1499 CA LEU A 92 -9.710 -1.576 0.812 1.00 0.00 C ATOM 1500 C LEU A 92 -9.927 -2.336 -0.494 1.00 0.00 C ATOM 1501 O LEU A 92 -10.486 -3.435 -0.496 1.00 0.00 O ATOM 1502 CB LEU A 92 -10.820 -0.540 1.012 1.00 0.00 C ATOM 1503 CG LEU A 92 -10.896 0.072 2.413 1.00 0.00 C ATOM 1504 CD1 LEU A 92 -11.872 1.239 2.432 1.00 0.00 C ATOM 1505 CD2 LEU A 92 -11.303 -0.979 3.436 1.00 0.00 C ATOM 0 H LEU A 92 -8.436 0.089 0.863 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.744 -2.294 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.679 0.264 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.778 -1.009 0.785 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.907 0.444 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.914 1.662 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.539 2.003 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.863 0.889 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.351 -0.524 4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.281 -1.382 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.568 -1.784 3.442 1.00 0.00 H new ATOM 1517 N LEU A 93 -9.481 -1.746 -1.602 1.00 0.00 N ATOM 1518 CA LEU A 93 -9.621 -2.377 -2.912 1.00 0.00 C ATOM 1519 C LEU A 93 -8.795 -3.659 -2.999 1.00 0.00 C ATOM 1520 O LEU A 93 -9.247 -4.662 -3.555 1.00 0.00 O ATOM 1521 CB LEU A 93 -9.197 -1.415 -4.022 1.00 0.00 C ATOM 1522 CG LEU A 93 -10.134 -0.232 -4.264 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -9.504 0.749 -5.240 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -11.483 -0.712 -4.783 1.00 0.00 C ATOM 0 H LEU A 93 -9.021 -0.836 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.673 -2.632 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.206 -1.028 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.105 -1.978 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.297 0.279 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.182 1.586 -5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.564 1.118 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.313 0.247 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.135 0.146 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.342 -1.248 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -11.939 -1.378 -4.050 1.00 0.00 H new ATOM 1536 N ALA A 94 -7.580 -3.618 -2.448 1.00 0.00 N ATOM 1537 CA ALA A 94 -6.687 -4.777 -2.456 1.00 0.00 C ATOM 1538 C ALA A 94 -7.268 -5.937 -1.662 1.00 0.00 C ATOM 1539 O ALA A 94 -7.134 -7.097 -2.056 1.00 0.00 O ATOM 1540 CB ALA A 94 -5.312 -4.400 -1.929 1.00 0.00 C ATOM 0 H ALA A 94 -7.192 -2.793 -1.990 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.583 -5.105 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.664 -5.276 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.882 -3.620 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.402 -4.033 -0.907 1.00 0.00 H new ATOM 1546 N GLU A 95 -7.908 -5.621 -0.539 1.00 0.00 N ATOM 1547 CA GLU A 95 -8.521 -6.637 0.309 1.00 0.00 C ATOM 1548 C GLU A 95 -9.618 -7.375 -0.452 1.00 0.00 C ATOM 1549 O GLU A 95 -9.787 -8.587 -0.301 1.00 0.00 O ATOM 1550 CB GLU A 95 -9.099 -5.994 1.571 1.00 0.00 C ATOM 1551 CG GLU A 95 -8.038 -5.495 2.542 1.00 0.00 C ATOM 1552 CD GLU A 95 -8.621 -4.682 3.681 1.00 0.00 C ATOM 1553 OE1 GLU A 95 -9.782 -4.237 3.564 1.00 0.00 O ATOM 1554 OE2 GLU A 95 -7.914 -4.492 4.694 1.00 0.00 O ATOM 0 H GLU A 95 -8.015 -4.667 -0.195 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.754 -7.355 0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.738 -5.159 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.733 -6.720 2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.496 -6.348 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.314 -4.886 2.001 1.00 0.00 H new ATOM 1561 N GLU A 96 -10.360 -6.628 -1.265 1.00 0.00 N ATOM 1562 CA GLU A 96 -11.435 -7.192 -2.074 1.00 0.00 C ATOM 1563 C GLU A 96 -10.883 -8.216 -3.061 1.00 0.00 C ATOM 1564 O GLU A 96 -11.491 -9.259 -3.296 1.00 0.00 O ATOM 1565 CB GLU A 96 -12.146 -6.076 -2.845 1.00 0.00 C ATOM 1566 CG GLU A 96 -12.961 -5.137 -1.964 1.00 0.00 C ATOM 1567 CD GLU A 96 -14.053 -5.852 -1.192 1.00 0.00 C ATOM 1568 OE1 GLU A 96 -14.816 -6.619 -1.816 1.00 0.00 O ATOM 1569 OE2 GLU A 96 -14.143 -5.645 0.035 1.00 0.00 O ATOM 0 H GLU A 96 -10.234 -5.622 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.143 -7.687 -1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.403 -5.493 -3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.805 -6.525 -3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.295 -4.636 -1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.410 -4.362 -2.585 1.00 0.00 H new ATOM 1576 N ILE A 97 -9.728 -7.896 -3.635 1.00 0.00 N ATOM 1577 CA ILE A 97 -9.066 -8.764 -4.602 1.00 0.00 C ATOM 1578 C ILE A 97 -8.565 -10.044 -3.936 1.00 0.00 C ATOM 1579 O ILE A 97 -8.730 -11.143 -4.469 1.00 0.00 O ATOM 1580 CB ILE A 97 -7.881 -8.028 -5.250 1.00 0.00 C ATOM 1581 CG1 ILE A 97 -8.392 -6.788 -5.968 1.00 0.00 C ATOM 1582 CG2 ILE A 97 -7.138 -8.937 -6.225 1.00 0.00 C ATOM 1583 CD1 ILE A 97 -7.297 -5.838 -6.350 1.00 0.00 C ATOM 0 H ILE A 97 -9.225 -7.029 -3.443 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.794 -9.030 -5.368 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.179 -7.735 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.932 -7.091 -6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.106 -6.272 -5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.305 -8.391 -6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.758 -9.809 -5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.819 -9.261 -7.012 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.726 -4.974 -6.858 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.772 -5.508 -5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.596 -6.340 -7.016 1.00 0.00 H new ATOM 1595 N GLY A 98 -7.951 -9.887 -2.764 1.00 0.00 N ATOM 1596 CA GLY A 98 -7.431 -11.026 -2.026 1.00 0.00 C ATOM 1597 C GLY A 98 -8.516 -12.005 -1.615 1.00 0.00 C ATOM 1598 O GLY A 98 -8.293 -13.215 -1.593 1.00 0.00 O ATOM 0 H GLY A 98 -7.804 -8.985 -2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.693 -11.544 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -6.912 -10.670 -1.136 1.00 0.00 H new ATOM 1602 N ASP A 99 -9.692 -11.480 -1.283 1.00 0.00 N ATOM 1603 CA ASP A 99 -10.816 -12.316 -0.867 1.00 0.00 C ATOM 1604 C ASP A 99 -11.754 -12.607 -2.042 1.00 0.00 C ATOM 1605 O ASP A 99 -12.903 -13.007 -1.847 1.00 0.00 O ATOM 1606 CB ASP A 99 -11.594 -11.633 0.262 1.00 0.00 C ATOM 1607 CG ASP A 99 -12.377 -12.619 1.109 1.00 0.00 C ATOM 1608 OD1 ASP A 99 -11.983 -13.803 1.162 1.00 0.00 O ATOM 1609 OD2 ASP A 99 -13.382 -12.203 1.724 1.00 0.00 O ATOM 0 H ASP A 99 -9.892 -10.480 -1.294 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.414 -13.263 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.899 -11.085 0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.280 -10.901 -0.165 1.00 0.00 H new ATOM 1614 N TYR A 100 -11.265 -12.401 -3.259 1.00 0.00 N ATOM 1615 CA TYR A 100 -12.060 -12.646 -4.452 1.00 0.00 C ATOM 1616 C TYR A 100 -11.825 -14.063 -4.963 1.00 0.00 C ATOM 1617 O TYR A 100 -10.706 -14.433 -5.322 1.00 0.00 O ATOM 1618 CB TYR A 100 -11.713 -11.624 -5.542 1.00 0.00 C ATOM 1619 CG TYR A 100 -12.494 -11.796 -6.827 1.00 0.00 C ATOM 1620 CD1 TYR A 100 -13.817 -11.381 -6.919 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -11.908 -12.370 -7.949 1.00 0.00 C ATOM 1622 CE1 TYR A 100 -14.532 -11.534 -8.092 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -12.617 -12.526 -9.125 1.00 0.00 C ATOM 1624 CZ TYR A 100 -13.928 -12.106 -9.190 1.00 0.00 C ATOM 1625 OH TYR A 100 -14.636 -12.259 -10.359 1.00 0.00 O ATOM 0 H TYR A 100 -10.320 -12.064 -3.444 1.00 0.00 H new ATOM 0 HA TYR A 100 -13.114 -12.538 -4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -11.891 -10.621 -5.154 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -10.648 -11.695 -5.765 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.294 -10.932 -6.060 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -10.881 -12.700 -7.901 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -15.560 -11.207 -8.147 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -12.147 -12.974 -9.988 1.00 0.00 H new ATOM 0 HH TYR A 100 -14.023 -12.209 -11.122 1.00 0.00 H new ATOM 1635 N LYS A 101 -12.888 -14.851 -4.989 1.00 0.00 N ATOM 1636 CA LYS A 101 -12.808 -16.229 -5.456 1.00 0.00 C ATOM 1637 C LYS A 101 -13.555 -16.395 -6.776 1.00 0.00 C ATOM 1638 O LYS A 101 -14.599 -15.779 -6.986 1.00 0.00 O ATOM 1639 CB LYS A 101 -13.387 -17.183 -4.407 1.00 0.00 C ATOM 1640 CG LYS A 101 -12.608 -17.201 -3.100 1.00 0.00 C ATOM 1641 CD LYS A 101 -13.223 -18.165 -2.098 1.00 0.00 C ATOM 1642 CE LYS A 101 -12.445 -18.181 -0.792 1.00 0.00 C ATOM 1643 NZ LYS A 101 -13.041 -19.116 0.200 1.00 0.00 N ATOM 0 H LYS A 101 -13.819 -14.560 -4.692 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.758 -16.473 -5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -14.419 -16.899 -4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -13.410 -18.192 -4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.575 -17.488 -3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.586 -16.198 -2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -14.257 -17.879 -1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.244 -19.169 -2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.413 -18.471 -0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.420 -17.175 -0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.480 -19.097 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.018 -18.826 0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.042 -20.081 -0.189 1.00 0.00 H new ATOM 1657 N ASP A 102 -13.002 -17.221 -7.664 1.00 0.00 N ATOM 1658 CA ASP A 102 -13.614 -17.479 -8.969 1.00 0.00 C ATOM 1659 C ASP A 102 -14.984 -18.138 -8.817 1.00 0.00 C ATOM 1660 O ASP A 102 -15.938 -17.779 -9.506 1.00 0.00 O ATOM 1661 CB ASP A 102 -12.702 -18.364 -9.823 1.00 0.00 C ATOM 1662 CG ASP A 102 -13.255 -18.589 -11.217 1.00 0.00 C ATOM 1663 OD1 ASP A 102 -13.320 -17.614 -11.994 1.00 0.00 O ATOM 1664 OD2 ASP A 102 -13.615 -19.741 -11.531 1.00 0.00 O ATOM 0 H ASP A 102 -12.129 -17.724 -7.504 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.749 -16.519 -9.468 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.717 -17.903 -9.896 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -12.567 -19.326 -9.329 1.00 0.00 H new ATOM 1669 N ASP A 103 -15.070 -19.111 -7.916 1.00 0.00 N ATOM 1670 CA ASP A 103 -16.324 -19.819 -7.678 1.00 0.00 C ATOM 1671 C ASP A 103 -17.117 -19.141 -6.565 1.00 0.00 C ATOM 1672 O ASP A 103 -16.789 -19.279 -5.387 1.00 0.00 O ATOM 1673 CB ASP A 103 -16.056 -21.282 -7.310 1.00 0.00 C ATOM 1674 CG ASP A 103 -17.332 -22.091 -7.157 1.00 0.00 C ATOM 1675 OD1 ASP A 103 -18.393 -21.632 -7.637 1.00 0.00 O ATOM 1676 OD2 ASP A 103 -17.271 -23.184 -6.558 1.00 0.00 O ATOM 0 H ASP A 103 -14.290 -19.427 -7.340 1.00 0.00 H new ATOM 0 HA ASP A 103 -16.910 -19.790 -8.597 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -15.432 -21.737 -8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -15.492 -21.321 -6.378 1.00 0.00 H new ATOM 1681 N ASP A 104 -18.159 -18.406 -6.951 1.00 0.00 N ATOM 1682 CA ASP A 104 -19.010 -17.706 -5.989 1.00 0.00 C ATOM 1683 C ASP A 104 -19.816 -18.693 -5.145 1.00 0.00 C ATOM 1684 O ASP A 104 -20.154 -18.403 -3.996 1.00 0.00 O ATOM 1685 CB ASP A 104 -19.961 -16.749 -6.714 1.00 0.00 C ATOM 1686 CG ASP A 104 -20.596 -15.739 -5.779 1.00 0.00 C ATOM 1687 OD1 ASP A 104 -19.944 -15.355 -4.786 1.00 0.00 O ATOM 1688 OD2 ASP A 104 -21.745 -15.328 -6.044 1.00 0.00 O ATOM 0 H ASP A 104 -18.435 -18.280 -7.925 1.00 0.00 H new ATOM 0 HA ASP A 104 -18.361 -17.134 -5.326 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -19.414 -16.221 -7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -20.744 -17.325 -7.207 1.00 0.00 H new ATOM 1693 N ASP A 105 -20.118 -19.857 -5.734 1.00 0.00 N ATOM 1694 CA ASP A 105 -20.889 -20.914 -5.065 1.00 0.00 C ATOM 1695 C ASP A 105 -22.333 -20.473 -4.810 1.00 0.00 C ATOM 1696 O ASP A 105 -22.755 -19.401 -5.244 1.00 0.00 O ATOM 1697 CB ASP A 105 -20.214 -21.330 -3.748 1.00 0.00 C ATOM 1698 CG ASP A 105 -20.274 -22.825 -3.506 1.00 0.00 C ATOM 1699 OD1 ASP A 105 -21.152 -23.488 -4.099 1.00 0.00 O ATOM 1700 OD2 ASP A 105 -19.445 -23.332 -2.723 1.00 0.00 O ATOM 0 H ASP A 105 -19.836 -20.093 -6.685 1.00 0.00 H new ATOM 0 HA ASP A 105 -20.913 -21.777 -5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -19.172 -21.010 -3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -20.696 -20.812 -2.918 1.00 0.00 H new ATOM 1705 N LYS A 106 -23.094 -21.316 -4.121 1.00 0.00 N ATOM 1706 CA LYS A 106 -24.485 -21.008 -3.812 1.00 0.00 C ATOM 1707 C LYS A 106 -24.685 -20.892 -2.303 1.00 0.00 C ATOM 1708 O LYS A 106 -25.546 -20.093 -1.878 1.00 0.00 O ATOM 1709 CB LYS A 106 -25.409 -22.089 -4.384 1.00 0.00 C ATOM 1710 CG LYS A 106 -26.824 -21.601 -4.665 1.00 0.00 C ATOM 1711 CD LYS A 106 -27.660 -22.671 -5.351 1.00 0.00 C ATOM 1712 CE LYS A 106 -28.005 -23.809 -4.401 1.00 0.00 C ATOM 1713 NZ LYS A 106 -28.889 -24.820 -5.043 1.00 0.00 N ATOM 1714 OXT LYS A 106 -23.975 -21.602 -1.559 1.00 0.00 O ATOM 0 H LYS A 106 -22.772 -22.216 -3.766 1.00 0.00 H new ATOM 0 HA LYS A 106 -24.736 -20.052 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -24.976 -22.472 -5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -25.454 -22.923 -3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -27.301 -21.310 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -26.784 -20.711 -5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -28.578 -22.226 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -27.115 -23.065 -6.209 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -27.087 -24.291 -4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -28.497 -23.406 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -29.100 -25.578 -4.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -29.776 -24.366 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -28.409 -25.223 -5.873 1.00 0.00 H new TER 1728 LYS A 106