USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 619 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 58 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 63 TYR OH : rot 70:sc= 0.223 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -106:sc= 1.75 (180deg=0.486) USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= 0.527 USER MOD Single : A 4 SER OG : rot 40:sc= -0.615 USER MOD Single : A 11 THR OG1 : rot -75:sc= 0.0635 USER MOD Single : A 12 THR OG1 : rot 83:sc= 0.377 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 164:sc= 0.101 USER MOD Single : A 31 MET CE :methyl -157:sc= -0.0371 (180deg=-0.716) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= 0.681 (180deg=0.6) USER MOD Single : A 37 GLN : amide:sc=-0.00766 X(o=-0.0077,f=-0.0077) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 70:sc= 0.448 USER MOD Single : A 50 ASN : amide:sc=-0.00742 K(o=-0.0074,f=-0.63) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.912 K(o=-0.91,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 74 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0327) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -2.559 -3.106 -1.730 1.00 0.00 N ATOM 29 CA SER A 4 -3.675 -2.164 -1.835 1.00 0.00 C ATOM 30 C SER A 4 -3.279 -0.989 -2.757 1.00 0.00 C ATOM 31 O SER A 4 -2.188 -0.419 -2.622 1.00 0.00 O ATOM 32 CB SER A 4 -4.041 -1.645 -0.428 1.00 0.00 C ATOM 33 OG SER A 4 -4.225 -2.716 0.489 1.00 0.00 O ATOM 0 HA SER A 4 -4.542 -2.667 -2.264 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.253 -0.985 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.953 -1.051 -0.484 1.00 0.00 H new ATOM 0 HG SER A 4 -3.549 -3.406 0.326 1.00 0.00 H new ATOM 39 N LEU A 5 -4.177 -0.649 -3.680 1.00 0.00 N ATOM 40 CA LEU A 5 -3.981 0.408 -4.692 1.00 0.00 C ATOM 41 C LEU A 5 -4.694 1.709 -4.270 1.00 0.00 C ATOM 42 O LEU A 5 -5.789 1.670 -3.706 1.00 0.00 O ATOM 43 CB LEU A 5 -4.471 -0.121 -6.077 1.00 0.00 C ATOM 44 CG LEU A 5 -5.818 -0.940 -6.123 1.00 0.00 C ATOM 45 CD1 LEU A 5 -7.083 -0.048 -6.074 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.844 -1.867 -7.354 1.00 0.00 C ATOM 0 H LEU A 5 -5.085 -1.107 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.922 0.654 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.578 0.736 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.683 -0.750 -6.492 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.843 -1.546 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.973 -0.676 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.084 0.531 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.083 0.630 -6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.780 -2.425 -7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.762 -1.269 -8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.008 -2.564 -7.302 1.00 0.00 H new ATOM 58 N GLU A 6 -4.066 2.864 -4.545 1.00 0.00 N ATOM 59 CA GLU A 6 -4.581 4.175 -4.104 1.00 0.00 C ATOM 60 C GLU A 6 -5.232 4.919 -5.283 1.00 0.00 C ATOM 61 O GLU A 6 -4.553 5.397 -6.194 1.00 0.00 O ATOM 62 CB GLU A 6 -3.450 5.009 -3.451 1.00 0.00 C ATOM 63 CG GLU A 6 -3.937 6.253 -2.674 1.00 0.00 C ATOM 64 CD GLU A 6 -2.834 6.906 -1.828 1.00 0.00 C ATOM 65 OE1 GLU A 6 -2.613 8.128 -1.934 1.00 0.00 O ATOM 66 OE2 GLU A 6 -2.176 6.185 -1.043 1.00 0.00 O ATOM 0 H GLU A 6 -3.195 2.918 -5.074 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.351 4.018 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.890 4.368 -2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.757 5.330 -4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.326 6.986 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.764 5.967 -2.024 1.00 0.00 H new ATOM 73 N ILE A 7 -6.568 4.975 -5.251 1.00 0.00 N ATOM 74 CA ILE A 7 -7.397 5.592 -6.296 1.00 0.00 C ATOM 75 C ILE A 7 -7.916 6.961 -5.834 1.00 0.00 C ATOM 76 O ILE A 7 -7.577 7.423 -4.745 1.00 0.00 O ATOM 77 CB ILE A 7 -8.610 4.659 -6.653 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.548 4.453 -5.407 1.00 0.00 C ATOM 79 CG2 ILE A 7 -8.100 3.307 -7.194 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.834 3.698 -5.693 1.00 0.00 C ATOM 0 H ILE A 7 -7.115 4.585 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.780 5.730 -7.184 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.200 5.141 -7.432 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.993 3.917 -4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.801 5.430 -4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.949 2.669 -7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.503 3.476 -8.091 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.486 2.820 -6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.414 3.606 -4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.417 4.241 -6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.596 2.705 -6.073 1.00 0.00 H new ATOM 92 N LYS A 8 -8.745 7.604 -6.684 1.00 0.00 N ATOM 93 CA LYS A 8 -9.403 8.895 -6.376 1.00 0.00 C ATOM 94 C LYS A 8 -10.895 8.823 -6.749 1.00 0.00 C ATOM 95 O LYS A 8 -11.249 8.160 -7.726 1.00 0.00 O ATOM 96 CB LYS A 8 -8.729 10.059 -7.149 1.00 0.00 C ATOM 97 CG LYS A 8 -7.178 10.190 -6.982 1.00 0.00 C ATOM 98 CD LYS A 8 -6.406 9.905 -8.290 1.00 0.00 C ATOM 99 CE LYS A 8 -6.720 10.938 -9.387 1.00 0.00 C ATOM 100 NZ LYS A 8 -6.041 10.624 -10.670 1.00 0.00 N ATOM 0 H LYS A 8 -8.979 7.241 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.301 9.084 -5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.951 9.940 -8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.189 10.994 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.939 11.196 -6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.841 9.499 -6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.335 9.908 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.659 8.908 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.797 10.976 -9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.413 11.928 -9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.248 11.282 -10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.681 9.649 -10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.718 10.721 -11.454 1.00 0.00 H new ATOM 114 N ILE A 9 -11.770 9.481 -5.956 1.00 0.00 N ATOM 115 CA ILE A 9 -13.220 9.572 -6.243 1.00 0.00 C ATOM 116 C ILE A 9 -13.628 11.065 -6.320 1.00 0.00 C ATOM 117 O ILE A 9 -13.865 11.716 -5.293 1.00 0.00 O ATOM 118 CB ILE A 9 -14.140 8.831 -5.172 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.833 7.286 -5.048 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.644 9.045 -5.513 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.583 6.918 -4.260 1.00 0.00 C ATOM 0 H ILE A 9 -11.492 9.963 -5.101 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.382 9.063 -7.193 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.908 9.278 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.690 6.801 -4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.741 6.872 -6.052 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.261 8.534 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.872 10.111 -5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.854 8.640 -6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.472 5.834 -4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.709 7.364 -4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.672 7.292 -3.240 1.00 0.00 H new ATOM 133 N ARG A 10 -13.643 11.611 -7.539 1.00 0.00 N ATOM 134 CA ARG A 10 -14.152 12.965 -7.819 1.00 0.00 C ATOM 135 C ARG A 10 -15.679 13.019 -7.591 1.00 0.00 C ATOM 136 O ARG A 10 -16.438 12.359 -8.290 1.00 0.00 O ATOM 137 CB ARG A 10 -13.811 13.352 -9.280 1.00 0.00 C ATOM 138 CG ARG A 10 -14.203 14.791 -9.686 1.00 0.00 C ATOM 139 CD ARG A 10 -13.977 15.060 -11.185 1.00 0.00 C ATOM 140 NE ARG A 10 -14.232 16.465 -11.544 1.00 0.00 N ATOM 141 CZ ARG A 10 -14.568 16.896 -12.769 1.00 0.00 C ATOM 142 NH1 ARG A 10 -14.879 16.037 -13.737 1.00 0.00 N ATOM 143 NH2 ARG A 10 -14.626 18.191 -13.010 1.00 0.00 N ATOM 0 H ARG A 10 -13.301 11.126 -8.368 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.678 13.675 -7.141 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.739 13.228 -9.431 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.311 12.653 -9.951 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.252 14.961 -9.443 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.621 15.502 -9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.952 14.800 -11.448 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.630 14.413 -11.771 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.147 17.163 -10.805 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.864 15.034 -13.553 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.132 16.382 -14.663 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.416 18.858 -12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.881 18.526 -13.939 1.00 0.00 H new ATOM 157 N THR A 11 -16.111 13.785 -6.594 1.00 0.00 N ATOM 158 CA THR A 11 -17.531 13.913 -6.231 1.00 0.00 C ATOM 159 C THR A 11 -18.324 14.800 -7.224 1.00 0.00 C ATOM 160 O THR A 11 -17.748 15.439 -8.111 1.00 0.00 O ATOM 161 CB THR A 11 -17.644 14.528 -4.808 1.00 0.00 C ATOM 162 OG1 THR A 11 -17.032 15.832 -4.802 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.971 13.652 -3.751 1.00 0.00 C ATOM 0 H THR A 11 -15.488 14.340 -6.008 1.00 0.00 H new ATOM 0 HA THR A 11 -17.963 12.913 -6.263 1.00 0.00 H new ATOM 0 HB THR A 11 -18.703 14.600 -4.560 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.057 15.736 -4.807 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.074 14.120 -2.772 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.445 12.671 -3.736 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.913 13.540 -3.990 1.00 0.00 H new ATOM 171 N THR A 12 -19.661 14.835 -7.027 1.00 0.00 N ATOM 172 CA THR A 12 -20.559 15.836 -7.652 1.00 0.00 C ATOM 173 C THR A 12 -20.244 17.259 -7.130 1.00 0.00 C ATOM 174 O THR A 12 -20.627 18.255 -7.753 1.00 0.00 O ATOM 175 CB THR A 12 -22.059 15.492 -7.343 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.176 15.039 -5.984 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.639 14.427 -8.285 1.00 0.00 C ATOM 0 H THR A 12 -20.150 14.169 -6.429 1.00 0.00 H new ATOM 0 HA THR A 12 -20.394 15.808 -8.729 1.00 0.00 H new ATOM 0 HB THR A 12 -22.633 16.405 -7.499 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.223 15.813 -5.384 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.678 14.234 -8.020 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.588 14.784 -9.314 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.063 13.506 -8.191 1.00 0.00 H new ATOM 185 N GLU A 13 -19.564 17.322 -5.967 1.00 0.00 N ATOM 186 CA GLU A 13 -19.165 18.576 -5.307 1.00 0.00 C ATOM 187 C GLU A 13 -17.876 19.149 -5.947 1.00 0.00 C ATOM 188 O GLU A 13 -17.551 20.323 -5.749 1.00 0.00 O ATOM 189 CB GLU A 13 -18.956 18.324 -3.784 1.00 0.00 C ATOM 190 CG GLU A 13 -20.061 17.471 -3.104 1.00 0.00 C ATOM 191 CD GLU A 13 -21.489 18.019 -3.306 1.00 0.00 C ATOM 192 OE1 GLU A 13 -21.825 19.054 -2.699 1.00 0.00 O ATOM 193 OE2 GLU A 13 -22.283 17.412 -4.065 1.00 0.00 O ATOM 0 H GLU A 13 -19.274 16.489 -5.455 1.00 0.00 H new ATOM 0 HA GLU A 13 -19.959 19.311 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.996 17.829 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.897 19.287 -3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -20.014 16.455 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -19.854 17.411 -2.036 1.00 0.00 H new ATOM 200 N GLY A 14 -17.140 18.299 -6.700 1.00 0.00 N ATOM 201 CA GLY A 14 -15.935 18.719 -7.434 1.00 0.00 C ATOM 202 C GLY A 14 -14.656 18.128 -6.857 1.00 0.00 C ATOM 203 O GLY A 14 -13.738 17.766 -7.613 1.00 0.00 O ATOM 0 H GLY A 14 -17.367 17.311 -6.812 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.029 18.421 -8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.866 19.807 -7.418 1.00 0.00 H new ATOM 207 N ARG A 15 -14.601 18.034 -5.509 1.00 0.00 N ATOM 208 CA ARG A 15 -13.414 17.550 -4.764 1.00 0.00 C ATOM 209 C ARG A 15 -13.085 16.084 -5.123 1.00 0.00 C ATOM 210 O ARG A 15 -13.987 15.254 -5.247 1.00 0.00 O ATOM 211 CB ARG A 15 -13.647 17.692 -3.237 1.00 0.00 C ATOM 212 CG ARG A 15 -14.867 16.907 -2.709 1.00 0.00 C ATOM 213 CD ARG A 15 -15.035 17.006 -1.200 1.00 0.00 C ATOM 214 NE ARG A 15 -15.295 18.386 -0.754 1.00 0.00 N ATOM 215 CZ ARG A 15 -14.996 18.870 0.461 1.00 0.00 C ATOM 216 NH1 ARG A 15 -14.317 18.143 1.338 1.00 0.00 N ATOM 217 NH2 ARG A 15 -15.348 20.097 0.781 1.00 0.00 N ATOM 0 H ARG A 15 -15.381 18.292 -4.904 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.561 18.164 -5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.755 17.352 -2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -13.776 18.747 -2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.769 17.280 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.765 15.858 -2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.858 16.364 -0.886 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.135 16.632 -0.711 1.00 0.00 H new ATOM 0 HE ARG A 15 -15.736 19.021 -1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -14.014 17.200 1.093 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.098 18.526 2.257 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.847 20.677 0.106 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.122 20.468 1.704 1.00 0.00 H new ATOM 231 N THR A 16 -11.792 15.775 -5.262 1.00 0.00 N ATOM 232 CA THR A 16 -11.322 14.458 -5.722 1.00 0.00 C ATOM 233 C THR A 16 -10.654 13.708 -4.544 1.00 0.00 C ATOM 234 O THR A 16 -9.586 14.105 -4.063 1.00 0.00 O ATOM 235 CB THR A 16 -10.351 14.644 -6.933 1.00 0.00 C ATOM 236 OG1 THR A 16 -10.952 15.544 -7.876 1.00 0.00 O ATOM 237 CG2 THR A 16 -10.047 13.321 -7.648 1.00 0.00 C ATOM 0 H THR A 16 -11.037 16.431 -5.059 1.00 0.00 H new ATOM 0 HA THR A 16 -12.161 13.852 -6.064 1.00 0.00 H new ATOM 0 HB THR A 16 -9.412 15.039 -6.545 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.350 15.669 -8.639 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.369 13.505 -8.481 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.582 12.627 -6.948 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.974 12.889 -8.024 1.00 0.00 H new ATOM 245 N LEU A 17 -11.324 12.633 -4.089 1.00 0.00 N ATOM 246 CA LEU A 17 -11.039 11.940 -2.812 1.00 0.00 C ATOM 247 C LEU A 17 -10.040 10.789 -3.018 1.00 0.00 C ATOM 248 O LEU A 17 -10.438 9.664 -3.354 1.00 0.00 O ATOM 249 CB LEU A 17 -12.373 11.398 -2.214 1.00 0.00 C ATOM 250 CG LEU A 17 -13.534 12.433 -2.088 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.845 11.749 -1.661 1.00 0.00 C ATOM 252 CD2 LEU A 17 -13.164 13.597 -1.141 1.00 0.00 C ATOM 0 H LEU A 17 -12.095 12.211 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.588 12.650 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.716 10.570 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.166 10.991 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.695 12.866 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.636 12.495 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.124 11.002 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.705 11.265 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.998 14.296 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.947 13.203 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.285 14.114 -1.526 1.00 0.00 H new ATOM 264 N THR A 18 -8.749 11.090 -2.843 1.00 0.00 N ATOM 265 CA THR A 18 -7.675 10.101 -2.984 1.00 0.00 C ATOM 266 C THR A 18 -7.639 9.172 -1.746 1.00 0.00 C ATOM 267 O THR A 18 -7.292 9.616 -0.652 1.00 0.00 O ATOM 268 CB THR A 18 -6.298 10.817 -3.168 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.424 11.849 -4.159 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.181 9.839 -3.592 1.00 0.00 C ATOM 0 H THR A 18 -8.420 12.024 -2.600 1.00 0.00 H new ATOM 0 HA THR A 18 -7.871 9.495 -3.869 1.00 0.00 H new ATOM 0 HB THR A 18 -6.019 11.242 -2.204 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.561 12.300 -4.274 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.244 10.384 -3.707 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.062 9.070 -2.829 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.447 9.371 -4.540 1.00 0.00 H new ATOM 278 N VAL A 19 -8.043 7.897 -1.923 1.00 0.00 N ATOM 279 CA VAL A 19 -8.090 6.884 -0.841 1.00 0.00 C ATOM 280 C VAL A 19 -7.416 5.571 -1.302 1.00 0.00 C ATOM 281 O VAL A 19 -7.457 5.226 -2.491 1.00 0.00 O ATOM 282 CB VAL A 19 -9.574 6.580 -0.374 1.00 0.00 C ATOM 283 CG1 VAL A 19 -10.282 7.859 0.142 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.409 5.901 -1.497 1.00 0.00 C ATOM 0 H VAL A 19 -8.349 7.536 -2.827 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.547 7.299 0.008 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.504 5.876 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.297 7.612 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.730 8.263 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.317 8.602 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.419 5.710 -1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.453 6.558 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.941 4.958 -1.779 1.00 0.00 H new ATOM 294 N ASP A 20 -6.795 4.845 -0.354 1.00 0.00 N ATOM 295 CA ASP A 20 -6.170 3.532 -0.620 1.00 0.00 C ATOM 296 C ASP A 20 -7.161 2.401 -0.278 1.00 0.00 C ATOM 297 O ASP A 20 -7.699 2.342 0.831 1.00 0.00 O ATOM 298 CB ASP A 20 -4.838 3.376 0.172 1.00 0.00 C ATOM 299 CG ASP A 20 -5.012 3.409 1.701 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.803 2.374 2.369 1.00 0.00 O ATOM 301 OD2 ASP A 20 -5.396 4.471 2.234 1.00 0.00 O ATOM 0 H ASP A 20 -6.711 5.149 0.616 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.925 3.468 -1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.368 2.434 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.156 4.173 -0.123 1.00 0.00 H new ATOM 306 N VAL A 21 -7.425 1.542 -1.268 1.00 0.00 N ATOM 307 CA VAL A 21 -8.341 0.383 -1.168 1.00 0.00 C ATOM 308 C VAL A 21 -7.695 -0.843 -1.842 1.00 0.00 C ATOM 309 O VAL A 21 -6.682 -0.716 -2.517 1.00 0.00 O ATOM 310 CB VAL A 21 -9.729 0.688 -1.848 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.516 1.777 -1.075 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.528 1.086 -3.337 1.00 0.00 C ATOM 0 H VAL A 21 -6.999 1.630 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.518 0.179 -0.112 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.327 -0.223 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.468 1.961 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.700 1.438 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.935 2.699 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.496 1.293 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.902 1.976 -3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.044 0.268 -3.870 1.00 0.00 H new ATOM 322 N LYS A 22 -8.293 -2.029 -1.666 1.00 0.00 N ATOM 323 CA LYS A 22 -7.776 -3.280 -2.261 1.00 0.00 C ATOM 324 C LYS A 22 -8.596 -3.649 -3.513 1.00 0.00 C ATOM 325 O LYS A 22 -9.805 -3.434 -3.514 1.00 0.00 O ATOM 326 CB LYS A 22 -7.858 -4.425 -1.224 1.00 0.00 C ATOM 327 CG LYS A 22 -7.161 -4.115 0.118 1.00 0.00 C ATOM 328 CD LYS A 22 -7.191 -5.307 1.091 1.00 0.00 C ATOM 329 CE LYS A 22 -6.438 -6.539 0.556 1.00 0.00 C ATOM 330 NZ LYS A 22 -6.606 -7.717 1.446 1.00 0.00 N ATOM 0 H LYS A 22 -9.141 -2.154 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.736 -3.131 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.907 -4.652 -1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.412 -5.322 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.126 -3.832 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.645 -3.258 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.752 -5.004 2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.227 -5.580 1.291 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.802 -6.783 -0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.378 -6.304 0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.085 -8.526 1.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.236 -7.493 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.615 -7.957 1.517 1.00 0.00 H new ATOM 344 N PRO A 23 -7.965 -4.251 -4.585 1.00 0.00 N ATOM 345 CA PRO A 23 -8.698 -4.679 -5.820 1.00 0.00 C ATOM 346 C PRO A 23 -9.701 -5.828 -5.540 1.00 0.00 C ATOM 347 O PRO A 23 -10.591 -6.116 -6.356 1.00 0.00 O ATOM 348 CB PRO A 23 -7.553 -5.140 -6.765 1.00 0.00 C ATOM 349 CG PRO A 23 -6.447 -5.553 -5.834 1.00 0.00 C ATOM 350 CD PRO A 23 -6.509 -4.580 -4.675 1.00 0.00 C ATOM 0 HA PRO A 23 -9.311 -3.882 -6.240 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.870 -5.968 -7.399 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.235 -4.335 -7.428 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.584 -6.579 -5.493 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.478 -5.509 -6.332 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.139 -5.028 -3.753 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.906 -3.692 -4.862 1.00 0.00 H new ATOM 358 N ASP A 24 -9.539 -6.449 -4.362 1.00 0.00 N ATOM 359 CA ASP A 24 -10.358 -7.577 -3.881 1.00 0.00 C ATOM 360 C ASP A 24 -11.721 -7.095 -3.351 1.00 0.00 C ATOM 361 O ASP A 24 -12.653 -7.893 -3.203 1.00 0.00 O ATOM 362 CB ASP A 24 -9.601 -8.298 -2.730 1.00 0.00 C ATOM 363 CG ASP A 24 -8.113 -8.541 -3.035 1.00 0.00 C ATOM 364 OD1 ASP A 24 -7.766 -9.608 -3.586 1.00 0.00 O ATOM 365 OD2 ASP A 24 -7.281 -7.658 -2.723 1.00 0.00 O ATOM 0 H ASP A 24 -8.815 -6.174 -3.698 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.531 -8.254 -4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.685 -7.703 -1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.084 -9.254 -2.531 1.00 0.00 H new ATOM 370 N ARG A 25 -11.810 -5.782 -3.058 1.00 0.00 N ATOM 371 CA ARG A 25 -12.988 -5.150 -2.424 1.00 0.00 C ATOM 372 C ARG A 25 -14.108 -4.924 -3.453 1.00 0.00 C ATOM 373 O ARG A 25 -13.856 -4.936 -4.654 1.00 0.00 O ATOM 374 CB ARG A 25 -12.568 -3.794 -1.785 1.00 0.00 C ATOM 375 CG ARG A 25 -11.569 -3.905 -0.607 1.00 0.00 C ATOM 376 CD ARG A 25 -12.159 -4.621 0.623 1.00 0.00 C ATOM 377 NE ARG A 25 -11.170 -4.755 1.715 1.00 0.00 N ATOM 378 CZ ARG A 25 -11.396 -4.471 3.012 1.00 0.00 C ATOM 379 NH1 ARG A 25 -12.561 -3.965 3.414 1.00 0.00 N ATOM 380 NH2 ARG A 25 -10.447 -4.692 3.907 1.00 0.00 N ATOM 0 H ARG A 25 -11.058 -5.122 -3.257 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.368 -5.816 -1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.125 -3.167 -2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.464 -3.282 -1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.681 -4.442 -0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.246 -2.905 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -13.025 -4.066 0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.513 -5.610 0.331 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.240 -5.090 1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.301 -3.786 2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.713 -3.757 4.401 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.549 -5.076 3.614 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.614 -4.478 4.890 1.00 0.00 H new ATOM 394 N THR A 26 -15.339 -4.717 -2.968 1.00 0.00 N ATOM 395 CA THR A 26 -16.498 -4.360 -3.812 1.00 0.00 C ATOM 396 C THR A 26 -16.637 -2.834 -3.887 1.00 0.00 C ATOM 397 O THR A 26 -15.985 -2.103 -3.124 1.00 0.00 O ATOM 398 CB THR A 26 -17.823 -4.993 -3.269 1.00 0.00 C ATOM 399 OG1 THR A 26 -17.990 -4.659 -1.881 1.00 0.00 O ATOM 400 CG2 THR A 26 -17.847 -6.524 -3.435 1.00 0.00 C ATOM 0 H THR A 26 -15.565 -4.792 -1.976 1.00 0.00 H new ATOM 0 HA THR A 26 -16.323 -4.761 -4.810 1.00 0.00 H new ATOM 0 HB THR A 26 -18.644 -4.582 -3.856 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.919 -4.821 -1.615 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.785 -6.918 -3.044 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.760 -6.777 -4.492 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.013 -6.963 -2.887 1.00 0.00 H new ATOM 408 N ILE A 27 -17.473 -2.351 -4.825 1.00 0.00 N ATOM 409 CA ILE A 27 -17.706 -0.908 -5.014 1.00 0.00 C ATOM 410 C ILE A 27 -18.394 -0.314 -3.762 1.00 0.00 C ATOM 411 O ILE A 27 -18.198 0.854 -3.456 1.00 0.00 O ATOM 412 CB ILE A 27 -18.531 -0.626 -6.330 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.790 -1.193 -7.582 1.00 0.00 C ATOM 414 CG2 ILE A 27 -18.852 0.875 -6.527 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.424 -0.582 -7.875 1.00 0.00 C ATOM 0 H ILE A 27 -18.001 -2.943 -5.467 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.743 -0.412 -5.138 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.484 -1.143 -6.215 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.666 -2.268 -7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.427 -1.049 -8.455 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.420 1.008 -7.448 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.440 1.235 -5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.922 1.441 -6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.000 -1.048 -8.764 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.533 0.489 -8.044 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.761 -0.749 -7.026 1.00 0.00 H new ATOM 427 N GLU A 28 -19.142 -1.169 -3.023 1.00 0.00 N ATOM 428 CA GLU A 28 -19.738 -0.848 -1.696 1.00 0.00 C ATOM 429 C GLU A 28 -18.714 -0.223 -0.728 1.00 0.00 C ATOM 430 O GLU A 28 -19.027 0.717 0.010 1.00 0.00 O ATOM 431 CB GLU A 28 -20.302 -2.145 -1.061 1.00 0.00 C ATOM 432 CG GLU A 28 -21.480 -2.771 -1.826 1.00 0.00 C ATOM 433 CD GLU A 28 -21.807 -4.202 -1.387 1.00 0.00 C ATOM 434 OE1 GLU A 28 -21.070 -5.129 -1.785 1.00 0.00 O ATOM 435 OE2 GLU A 28 -22.782 -4.405 -0.640 1.00 0.00 O ATOM 0 H GLU A 28 -19.354 -2.117 -3.334 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.530 -0.117 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.499 -2.879 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.622 -1.926 -0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.363 -2.147 -1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.251 -2.770 -2.892 1.00 0.00 H new ATOM 442 N GLU A 29 -17.495 -0.778 -0.759 1.00 0.00 N ATOM 443 CA GLU A 29 -16.366 -0.318 0.063 1.00 0.00 C ATOM 444 C GLU A 29 -15.934 1.094 -0.357 1.00 0.00 C ATOM 445 O GLU A 29 -15.640 1.926 0.492 1.00 0.00 O ATOM 446 CB GLU A 29 -15.180 -1.312 -0.060 1.00 0.00 C ATOM 447 CG GLU A 29 -15.551 -2.789 0.196 1.00 0.00 C ATOM 448 CD GLU A 29 -16.074 -3.061 1.614 1.00 0.00 C ATOM 449 OE1 GLU A 29 -15.254 -3.134 2.553 1.00 0.00 O ATOM 450 OE2 GLU A 29 -17.308 -3.202 1.801 1.00 0.00 O ATOM 0 H GLU A 29 -17.262 -1.567 -1.362 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.683 -0.280 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.753 -1.226 -1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.402 -1.019 0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.309 -3.093 -0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.673 -3.410 0.017 1.00 0.00 H new ATOM 457 N LEU A 30 -15.941 1.355 -1.681 1.00 0.00 N ATOM 458 CA LEU A 30 -15.601 2.683 -2.239 1.00 0.00 C ATOM 459 C LEU A 30 -16.654 3.717 -1.837 1.00 0.00 C ATOM 460 O LEU A 30 -16.319 4.853 -1.516 1.00 0.00 O ATOM 461 CB LEU A 30 -15.497 2.637 -3.786 1.00 0.00 C ATOM 462 CG LEU A 30 -14.553 1.550 -4.377 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.431 1.677 -5.909 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.171 1.575 -3.697 1.00 0.00 C ATOM 0 H LEU A 30 -16.180 0.660 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.631 2.969 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.496 2.481 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.159 3.612 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.003 0.580 -4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.764 0.902 -6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.415 1.562 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.027 2.657 -6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.537 0.803 -4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.710 2.551 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.287 1.388 -2.629 1.00 0.00 H new ATOM 476 N MET A 31 -17.929 3.281 -1.872 1.00 0.00 N ATOM 477 CA MET A 31 -19.095 4.089 -1.496 1.00 0.00 C ATOM 478 C MET A 31 -19.021 4.487 -0.009 1.00 0.00 C ATOM 479 O MET A 31 -19.424 5.591 0.370 1.00 0.00 O ATOM 480 CB MET A 31 -20.406 3.323 -1.828 1.00 0.00 C ATOM 481 CG MET A 31 -20.524 2.903 -3.306 1.00 0.00 C ATOM 482 SD MET A 31 -22.210 2.553 -3.846 1.00 0.00 S ATOM 483 CE MET A 31 -22.731 4.162 -4.438 1.00 0.00 C ATOM 0 H MET A 31 -18.177 2.337 -2.169 1.00 0.00 H new ATOM 0 HA MET A 31 -19.094 5.011 -2.077 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.464 2.433 -1.201 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.258 3.951 -1.569 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.112 3.695 -3.931 1.00 0.00 H new ATOM 0 HG3 MET A 31 -19.911 2.017 -3.470 1.00 0.00 H new ATOM 0 HE1 MET A 31 -23.819 4.222 -4.418 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.312 4.938 -3.798 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.379 4.305 -5.460 1.00 0.00 H new ATOM 493 N GLU A 32 -18.457 3.577 0.807 1.00 0.00 N ATOM 494 CA GLU A 32 -18.163 3.827 2.229 1.00 0.00 C ATOM 495 C GLU A 32 -17.097 4.928 2.352 1.00 0.00 C ATOM 496 O GLU A 32 -17.237 5.854 3.145 1.00 0.00 O ATOM 497 CB GLU A 32 -17.633 2.526 2.901 1.00 0.00 C ATOM 498 CG GLU A 32 -17.742 2.487 4.440 1.00 0.00 C ATOM 499 CD GLU A 32 -19.195 2.376 4.940 1.00 0.00 C ATOM 500 OE1 GLU A 32 -19.833 1.326 4.701 1.00 0.00 O ATOM 501 OE2 GLU A 32 -19.703 3.319 5.584 1.00 0.00 O ATOM 0 H GLU A 32 -18.191 2.643 0.496 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.079 4.144 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.181 1.677 2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -16.587 2.394 2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.168 1.641 4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.290 3.388 4.853 1.00 0.00 H new ATOM 508 N LYS A 33 -16.035 4.801 1.530 1.00 0.00 N ATOM 509 CA LYS A 33 -14.853 5.676 1.612 1.00 0.00 C ATOM 510 C LYS A 33 -15.179 7.118 1.214 1.00 0.00 C ATOM 511 O LYS A 33 -14.814 8.045 1.927 1.00 0.00 O ATOM 512 CB LYS A 33 -13.657 5.116 0.780 1.00 0.00 C ATOM 513 CG LYS A 33 -13.169 3.705 1.212 1.00 0.00 C ATOM 514 CD LYS A 33 -13.216 3.510 2.748 1.00 0.00 C ATOM 515 CE LYS A 33 -12.684 2.158 3.213 1.00 0.00 C ATOM 516 NZ LYS A 33 -12.788 2.010 4.694 1.00 0.00 N ATOM 0 H LYS A 33 -15.975 4.094 0.797 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.546 5.690 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.948 5.079 -0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.822 5.813 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.788 2.947 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.149 3.553 0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.636 4.301 3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.246 3.621 3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.243 1.359 2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.643 2.051 2.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.418 1.080 4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.234 2.759 5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.784 2.088 4.982 1.00 0.00 H new ATOM 530 N LEU A 34 -15.894 7.303 0.099 1.00 0.00 N ATOM 531 CA LEU A 34 -16.311 8.643 -0.357 1.00 0.00 C ATOM 532 C LEU A 34 -17.293 9.275 0.647 1.00 0.00 C ATOM 533 O LEU A 34 -17.269 10.487 0.857 1.00 0.00 O ATOM 534 CB LEU A 34 -16.875 8.577 -1.810 1.00 0.00 C ATOM 535 CG LEU A 34 -18.057 7.576 -2.074 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.454 8.204 -1.832 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.959 6.945 -3.478 1.00 0.00 C ATOM 0 H LEU A 34 -16.199 6.543 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.441 9.299 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.209 9.576 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.055 8.317 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.950 6.780 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.226 7.461 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.529 8.536 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.590 9.057 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.792 6.258 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.996 7.730 -4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.019 6.400 -3.567 1.00 0.00 H new ATOM 549 N LYS A 35 -18.110 8.432 1.310 1.00 0.00 N ATOM 550 CA LYS A 35 -19.040 8.878 2.368 1.00 0.00 C ATOM 551 C LYS A 35 -18.270 9.464 3.578 1.00 0.00 C ATOM 552 O LYS A 35 -18.561 10.570 4.009 1.00 0.00 O ATOM 553 CB LYS A 35 -19.966 7.703 2.801 1.00 0.00 C ATOM 554 CG LYS A 35 -20.846 7.970 4.047 1.00 0.00 C ATOM 555 CD LYS A 35 -21.767 9.200 3.901 1.00 0.00 C ATOM 556 CE LYS A 35 -22.478 9.553 5.207 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.328 10.764 5.056 1.00 0.00 N ATOM 0 H LYS A 35 -18.144 7.429 1.129 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.665 9.675 1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.618 7.451 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.346 6.828 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.458 7.090 4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.201 8.111 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.178 10.055 3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.510 9.005 3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.094 8.712 5.525 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.739 9.721 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.604 11.114 5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.794 11.503 4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.181 10.524 4.512 1.00 0.00 H new ATOM 571 N GLU A 36 -17.272 8.729 4.099 1.00 0.00 N ATOM 572 CA GLU A 36 -16.493 9.153 5.298 1.00 0.00 C ATOM 573 C GLU A 36 -15.520 10.317 4.971 1.00 0.00 C ATOM 574 O GLU A 36 -14.999 10.971 5.883 1.00 0.00 O ATOM 575 CB GLU A 36 -15.728 7.944 5.910 1.00 0.00 C ATOM 576 CG GLU A 36 -14.791 7.234 4.923 1.00 0.00 C ATOM 577 CD GLU A 36 -14.074 5.997 5.486 1.00 0.00 C ATOM 578 OE1 GLU A 36 -14.682 4.905 5.535 1.00 0.00 O ATOM 579 OE2 GLU A 36 -12.883 6.100 5.850 1.00 0.00 O ATOM 0 H GLU A 36 -16.977 7.832 3.713 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.203 9.523 6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.145 8.290 6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.452 7.223 6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.368 6.934 4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.040 7.946 4.581 1.00 0.00 H new ATOM 586 N GLN A 37 -15.279 10.564 3.663 1.00 0.00 N ATOM 587 CA GLN A 37 -14.430 11.681 3.190 1.00 0.00 C ATOM 588 C GLN A 37 -15.227 13.006 3.124 1.00 0.00 C ATOM 589 O GLN A 37 -14.980 13.925 3.914 1.00 0.00 O ATOM 590 CB GLN A 37 -13.829 11.347 1.796 1.00 0.00 C ATOM 591 CG GLN A 37 -12.756 10.248 1.782 1.00 0.00 C ATOM 592 CD GLN A 37 -11.451 10.673 2.459 1.00 0.00 C ATOM 593 OE1 GLN A 37 -11.264 10.492 3.659 1.00 0.00 O ATOM 594 NE2 GLN A 37 -10.534 11.231 1.688 1.00 0.00 N ATOM 0 H GLN A 37 -15.666 9.997 2.909 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.619 11.812 3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.640 11.046 1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.397 12.257 1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.146 9.362 2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.548 9.965 0.750 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.718 11.368 0.694 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.642 11.524 2.087 1.00 0.00 H new ATOM 603 N THR A 38 -16.197 13.079 2.195 1.00 0.00 N ATOM 604 CA THR A 38 -16.925 14.334 1.880 1.00 0.00 C ATOM 605 C THR A 38 -18.253 14.450 2.664 1.00 0.00 C ATOM 606 O THR A 38 -18.784 15.556 2.822 1.00 0.00 O ATOM 607 CB THR A 38 -17.192 14.455 0.338 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.873 15.680 0.021 1.00 0.00 O ATOM 609 CG2 THR A 38 -17.996 13.279 -0.209 1.00 0.00 C ATOM 0 H THR A 38 -16.501 12.278 1.641 1.00 0.00 H new ATOM 0 HA THR A 38 -16.285 15.159 2.193 1.00 0.00 H new ATOM 0 HB THR A 38 -16.211 14.449 -0.138 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.025 15.729 -0.946 1.00 0.00 H new ATOM 0 HG21 THR A 38 -18.153 13.412 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.449 12.352 -0.035 1.00 0.00 H new ATOM 0 HG23 THR A 38 -18.961 13.232 0.296 1.00 0.00 H new ATOM 617 N GLY A 39 -18.783 13.311 3.144 1.00 0.00 N ATOM 618 CA GLY A 39 -19.999 13.297 3.973 1.00 0.00 C ATOM 619 C GLY A 39 -21.296 13.161 3.188 1.00 0.00 C ATOM 620 O GLY A 39 -22.386 13.237 3.777 1.00 0.00 O ATOM 0 H GLY A 39 -18.387 12.387 2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.930 12.472 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -20.037 14.217 4.556 1.00 0.00 H new ATOM 624 N VAL A 40 -21.195 12.940 1.866 1.00 0.00 N ATOM 625 CA VAL A 40 -22.370 12.805 0.986 1.00 0.00 C ATOM 626 C VAL A 40 -22.862 11.328 1.011 1.00 0.00 C ATOM 627 O VAL A 40 -22.031 10.410 0.953 1.00 0.00 O ATOM 628 CB VAL A 40 -22.042 13.308 -0.493 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.219 12.286 -1.319 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.321 13.744 -1.247 1.00 0.00 C ATOM 0 H VAL A 40 -20.303 12.850 1.379 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.175 13.441 1.354 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.407 14.186 -0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.031 12.690 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.269 12.095 -0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.778 11.354 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -23.056 14.080 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -24.008 12.900 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -23.802 14.560 -0.707 1.00 0.00 H new ATOM 640 N PRO A 41 -24.210 11.065 1.168 1.00 0.00 N ATOM 641 CA PRO A 41 -24.762 9.687 1.234 1.00 0.00 C ATOM 642 C PRO A 41 -24.578 8.937 -0.114 1.00 0.00 C ATOM 643 O PRO A 41 -25.040 9.422 -1.149 1.00 0.00 O ATOM 644 CB PRO A 41 -26.265 9.904 1.573 1.00 0.00 C ATOM 645 CG PRO A 41 -26.566 11.288 1.086 1.00 0.00 C ATOM 646 CD PRO A 41 -25.291 12.079 1.308 1.00 0.00 C ATOM 0 HA PRO A 41 -24.256 9.066 1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.894 9.164 1.078 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.447 9.812 2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.846 11.282 0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.400 11.725 1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.185 12.879 0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.276 12.545 2.293 1.00 0.00 H new ATOM 654 N PRO A 42 -23.883 7.755 -0.118 1.00 0.00 N ATOM 655 CA PRO A 42 -23.585 6.997 -1.362 1.00 0.00 C ATOM 656 C PRO A 42 -24.852 6.472 -2.074 1.00 0.00 C ATOM 657 O PRO A 42 -24.829 6.234 -3.278 1.00 0.00 O ATOM 658 CB PRO A 42 -22.692 5.836 -0.864 1.00 0.00 C ATOM 659 CG PRO A 42 -23.031 5.678 0.587 1.00 0.00 C ATOM 660 CD PRO A 42 -23.319 7.072 1.079 1.00 0.00 C ATOM 0 HA PRO A 42 -23.107 7.623 -2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -22.892 4.919 -1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.635 6.066 -0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -23.895 5.027 0.721 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.205 5.229 1.138 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.026 7.067 1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.415 7.567 1.434 1.00 0.00 H new ATOM 668 N GLU A 43 -25.950 6.319 -1.313 1.00 0.00 N ATOM 669 CA GLU A 43 -27.271 5.899 -1.852 1.00 0.00 C ATOM 670 C GLU A 43 -27.839 6.947 -2.849 1.00 0.00 C ATOM 671 O GLU A 43 -28.678 6.627 -3.707 1.00 0.00 O ATOM 672 CB GLU A 43 -28.259 5.678 -0.674 1.00 0.00 C ATOM 673 CG GLU A 43 -28.510 6.936 0.188 1.00 0.00 C ATOM 674 CD GLU A 43 -29.474 6.683 1.357 1.00 0.00 C ATOM 675 OE1 GLU A 43 -29.024 6.622 2.521 1.00 0.00 O ATOM 676 OE2 GLU A 43 -30.686 6.518 1.110 1.00 0.00 O ATOM 0 H GLU A 43 -25.954 6.481 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.141 4.966 -2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.211 5.330 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -27.872 4.884 -0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.559 7.296 0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -28.914 7.727 -0.444 1.00 0.00 H new ATOM 683 N GLN A 44 -27.368 8.196 -2.707 1.00 0.00 N ATOM 684 CA GLN A 44 -27.767 9.344 -3.543 1.00 0.00 C ATOM 685 C GLN A 44 -26.828 9.493 -4.773 1.00 0.00 C ATOM 686 O GLN A 44 -27.056 10.337 -5.641 1.00 0.00 O ATOM 687 CB GLN A 44 -27.730 10.620 -2.647 1.00 0.00 C ATOM 688 CG GLN A 44 -28.231 11.927 -3.301 1.00 0.00 C ATOM 689 CD GLN A 44 -28.048 13.150 -2.398 1.00 0.00 C ATOM 690 OE1 GLN A 44 -28.938 13.503 -1.619 1.00 0.00 O ATOM 691 NE2 GLN A 44 -26.901 13.810 -2.504 1.00 0.00 N ATOM 0 H GLN A 44 -26.684 8.443 -1.992 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.773 9.192 -3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -28.329 10.431 -1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -26.704 10.775 -2.314 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -27.695 12.088 -4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -29.286 11.821 -3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -26.187 13.490 -3.158 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -26.734 14.637 -1.931 1.00 0.00 H new ATOM 700 N LEU A 45 -25.752 8.674 -4.836 1.00 0.00 N ATOM 701 CA LEU A 45 -24.702 8.773 -5.885 1.00 0.00 C ATOM 702 C LEU A 45 -24.481 7.428 -6.607 1.00 0.00 C ATOM 703 O LEU A 45 -24.944 6.370 -6.164 1.00 0.00 O ATOM 704 CB LEU A 45 -23.337 9.272 -5.289 1.00 0.00 C ATOM 705 CG LEU A 45 -23.220 10.794 -4.911 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.650 11.705 -6.082 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.980 11.133 -3.617 1.00 0.00 C ATOM 0 H LEU A 45 -25.585 7.926 -4.163 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.062 9.503 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.127 8.687 -4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.552 9.044 -6.010 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.166 10.990 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.556 12.749 -5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.011 11.515 -6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.687 11.495 -6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.869 12.195 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.037 10.897 -3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.573 10.548 -2.792 1.00 0.00 H new ATOM 719 N ARG A 46 -23.763 7.520 -7.742 1.00 0.00 N ATOM 720 CA ARG A 46 -23.280 6.379 -8.537 1.00 0.00 C ATOM 721 C ARG A 46 -21.763 6.559 -8.683 1.00 0.00 C ATOM 722 O ARG A 46 -21.315 7.647 -9.076 1.00 0.00 O ATOM 723 CB ARG A 46 -23.902 6.359 -9.972 1.00 0.00 C ATOM 724 CG ARG A 46 -25.419 6.605 -10.062 1.00 0.00 C ATOM 725 CD ARG A 46 -25.891 6.764 -11.511 1.00 0.00 C ATOM 726 NE ARG A 46 -27.318 7.110 -11.613 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.064 6.958 -12.730 1.00 0.00 C ATOM 728 NH1 ARG A 46 -27.565 6.386 -13.812 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.316 7.361 -12.759 1.00 0.00 N ATOM 0 H ARG A 46 -23.496 8.419 -8.142 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.557 5.450 -8.038 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -23.397 7.114 -10.574 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.685 5.392 -10.425 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.949 5.774 -9.597 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -25.675 7.501 -9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -25.299 7.539 -11.998 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.708 5.835 -12.052 1.00 0.00 H new ATOM 0 HE ARG A 46 -27.775 7.490 -10.784 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -26.602 6.051 -13.813 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -28.143 6.280 -14.646 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -29.732 7.793 -11.934 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -29.871 7.242 -13.607 1.00 0.00 H new ATOM 743 N VAL A 47 -20.982 5.518 -8.377 1.00 0.00 N ATOM 744 CA VAL A 47 -19.528 5.525 -8.632 1.00 0.00 C ATOM 745 C VAL A 47 -19.296 5.243 -10.129 1.00 0.00 C ATOM 746 O VAL A 47 -19.916 4.340 -10.682 1.00 0.00 O ATOM 747 CB VAL A 47 -18.780 4.472 -7.735 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.256 4.517 -7.968 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.115 4.692 -6.244 1.00 0.00 C ATOM 0 H VAL A 47 -21.327 4.657 -7.952 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.119 6.501 -8.372 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.128 3.480 -8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.769 3.777 -7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.041 4.296 -9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.880 5.510 -7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.588 3.954 -5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.805 5.693 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.189 4.585 -6.093 1.00 0.00 H new ATOM 759 N ILE A 48 -18.436 6.048 -10.782 1.00 0.00 N ATOM 760 CA ILE A 48 -18.224 6.003 -12.248 1.00 0.00 C ATOM 761 C ILE A 48 -16.714 5.899 -12.571 1.00 0.00 C ATOM 762 O ILE A 48 -15.968 6.843 -12.334 1.00 0.00 O ATOM 763 CB ILE A 48 -18.812 7.293 -12.964 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.315 7.550 -12.583 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.637 7.220 -14.504 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.300 6.466 -12.971 1.00 0.00 C ATOM 0 H ILE A 48 -17.866 6.750 -10.310 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.748 5.124 -12.622 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.234 8.142 -12.599 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.374 7.696 -11.505 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.632 8.483 -13.049 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -19.051 8.119 -14.960 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.577 7.145 -14.747 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.160 6.344 -14.889 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.303 6.756 -12.657 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.284 6.330 -14.052 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -21.023 5.531 -12.484 1.00 0.00 H new ATOM 778 N TYR A 49 -16.275 4.755 -13.123 1.00 0.00 N ATOM 779 CA TYR A 49 -14.870 4.545 -13.547 1.00 0.00 C ATOM 780 C TYR A 49 -14.714 4.877 -15.034 1.00 0.00 C ATOM 781 O TYR A 49 -15.291 4.186 -15.880 1.00 0.00 O ATOM 782 CB TYR A 49 -14.427 3.078 -13.289 1.00 0.00 C ATOM 783 CG TYR A 49 -13.041 2.689 -13.842 1.00 0.00 C ATOM 784 CD1 TYR A 49 -11.880 2.976 -13.137 1.00 0.00 C ATOM 785 CD2 TYR A 49 -12.900 2.014 -15.065 1.00 0.00 C ATOM 786 CE1 TYR A 49 -10.644 2.617 -13.615 1.00 0.00 C ATOM 787 CE2 TYR A 49 -11.655 1.660 -15.546 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.532 1.962 -14.815 1.00 0.00 C ATOM 789 OH TYR A 49 -9.288 1.610 -15.288 1.00 0.00 O ATOM 0 H TYR A 49 -16.878 3.949 -13.290 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.235 5.208 -12.959 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.431 2.901 -12.213 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.171 2.412 -13.725 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.951 3.493 -12.192 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -13.781 1.767 -15.640 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.757 2.851 -13.045 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.565 1.148 -16.493 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.918 0.893 -14.732 1.00 0.00 H new ATOM 799 N ASN A 50 -13.951 5.950 -15.326 1.00 0.00 N ATOM 800 CA ASN A 50 -13.442 6.262 -16.688 1.00 0.00 C ATOM 801 C ASN A 50 -14.604 6.446 -17.715 1.00 0.00 C ATOM 802 O ASN A 50 -14.419 6.313 -18.931 1.00 0.00 O ATOM 803 CB ASN A 50 -12.420 5.145 -17.108 1.00 0.00 C ATOM 804 CG ASN A 50 -11.526 5.480 -18.310 1.00 0.00 C ATOM 805 OD1 ASN A 50 -11.267 6.645 -18.612 1.00 0.00 O ATOM 806 ND2 ASN A 50 -11.015 4.454 -18.968 1.00 0.00 N ATOM 0 H ASN A 50 -13.666 6.632 -14.623 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.922 7.220 -16.677 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.781 4.923 -16.254 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.976 4.235 -17.334 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.384 4.615 -19.753 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.251 3.501 -18.690 1.00 0.00 H new ATOM 813 N GLY A 51 -15.801 6.791 -17.194 1.00 0.00 N ATOM 814 CA GLY A 51 -17.005 6.961 -18.014 1.00 0.00 C ATOM 815 C GLY A 51 -17.889 5.712 -18.067 1.00 0.00 C ATOM 816 O GLY A 51 -18.592 5.505 -19.055 1.00 0.00 O ATOM 0 H GLY A 51 -15.953 6.957 -16.199 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.589 7.793 -17.620 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.709 7.231 -19.028 1.00 0.00 H new ATOM 820 N ARG A 52 -17.852 4.883 -17.004 1.00 0.00 N ATOM 821 CA ARG A 52 -18.704 3.668 -16.874 1.00 0.00 C ATOM 822 C ARG A 52 -19.362 3.631 -15.476 1.00 0.00 C ATOM 823 O ARG A 52 -18.688 3.884 -14.485 1.00 0.00 O ATOM 824 CB ARG A 52 -17.868 2.366 -17.087 1.00 0.00 C ATOM 825 CG ARG A 52 -18.636 1.077 -16.705 1.00 0.00 C ATOM 826 CD ARG A 52 -17.857 -0.220 -16.911 1.00 0.00 C ATOM 827 NE ARG A 52 -18.679 -1.365 -16.480 1.00 0.00 N ATOM 828 CZ ARG A 52 -19.036 -2.411 -17.241 1.00 0.00 C ATOM 829 NH1 ARG A 52 -18.584 -2.545 -18.486 1.00 0.00 N ATOM 830 NH2 ARG A 52 -19.860 -3.321 -16.744 1.00 0.00 N ATOM 0 H ARG A 52 -17.232 5.031 -16.207 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.474 3.715 -17.644 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.565 2.304 -18.132 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.956 2.427 -16.493 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.931 1.144 -15.658 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.553 1.030 -17.292 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.585 -0.330 -17.961 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.928 -0.192 -16.342 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.007 -1.362 -15.514 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.954 -1.845 -18.878 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.868 -3.348 -19.048 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.216 -3.222 -15.793 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.139 -4.121 -17.312 1.00 0.00 H new ATOM 844 N GLU A 53 -20.666 3.264 -15.410 1.00 0.00 N ATOM 845 CA GLU A 53 -21.398 3.116 -14.135 1.00 0.00 C ATOM 846 C GLU A 53 -20.944 1.843 -13.409 1.00 0.00 C ATOM 847 O GLU A 53 -20.831 0.775 -14.021 1.00 0.00 O ATOM 848 CB GLU A 53 -22.935 3.072 -14.351 1.00 0.00 C ATOM 849 CG GLU A 53 -23.756 3.198 -13.044 1.00 0.00 C ATOM 850 CD GLU A 53 -25.266 3.123 -13.285 1.00 0.00 C ATOM 851 OE1 GLU A 53 -25.867 4.151 -13.642 1.00 0.00 O ATOM 852 OE2 GLU A 53 -25.853 2.032 -13.158 1.00 0.00 O ATOM 0 H GLU A 53 -21.233 3.065 -16.234 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.169 3.990 -13.525 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.220 3.878 -15.027 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.196 2.135 -14.844 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.462 2.404 -12.357 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.516 4.144 -12.559 1.00 0.00 H new ATOM 859 N LEU A 54 -20.664 1.976 -12.106 1.00 0.00 N ATOM 860 CA LEU A 54 -20.179 0.873 -11.265 1.00 0.00 C ATOM 861 C LEU A 54 -21.266 0.486 -10.259 1.00 0.00 C ATOM 862 O LEU A 54 -21.661 1.313 -9.418 1.00 0.00 O ATOM 863 CB LEU A 54 -18.880 1.269 -10.503 1.00 0.00 C ATOM 864 CG LEU A 54 -17.739 1.955 -11.332 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.446 2.034 -10.507 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.505 1.268 -12.699 1.00 0.00 C ATOM 0 H LEU A 54 -20.768 2.857 -11.602 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.947 0.026 -11.911 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -19.157 1.941 -9.691 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.470 0.369 -10.046 1.00 0.00 H new ATOM 0 HG LEU A 54 -18.064 2.971 -11.555 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.666 2.513 -11.099 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.626 2.617 -9.604 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.128 1.028 -10.232 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.705 1.782 -13.232 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.224 0.227 -12.540 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.420 1.311 -13.289 1.00 0.00 H new ATOM 878 N GLU A 55 -21.757 -0.755 -10.368 1.00 0.00 N ATOM 879 CA GLU A 55 -22.694 -1.327 -9.407 1.00 0.00 C ATOM 880 C GLU A 55 -21.978 -1.641 -8.076 1.00 0.00 C ATOM 881 O GLU A 55 -20.934 -2.304 -8.104 1.00 0.00 O ATOM 882 CB GLU A 55 -23.328 -2.604 -9.999 1.00 0.00 C ATOM 883 CG GLU A 55 -24.284 -2.328 -11.174 1.00 0.00 C ATOM 884 CD GLU A 55 -25.602 -1.640 -10.736 1.00 0.00 C ATOM 885 OE1 GLU A 55 -25.962 -0.588 -11.310 1.00 0.00 O ATOM 886 OE2 GLU A 55 -26.275 -2.153 -9.808 1.00 0.00 O ATOM 0 H GLU A 55 -21.512 -1.388 -11.129 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.483 -0.603 -9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.535 -3.271 -10.336 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.873 -3.127 -9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.778 -1.698 -11.906 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -24.520 -3.269 -11.671 1.00 0.00 H new ATOM 893 N PRO A 56 -22.523 -1.141 -6.907 1.00 0.00 N ATOM 894 CA PRO A 56 -22.001 -1.421 -5.540 1.00 0.00 C ATOM 895 C PRO A 56 -21.597 -2.899 -5.326 1.00 0.00 C ATOM 896 O PRO A 56 -20.477 -3.197 -4.883 1.00 0.00 O ATOM 897 CB PRO A 56 -23.183 -1.030 -4.613 1.00 0.00 C ATOM 898 CG PRO A 56 -23.985 -0.012 -5.376 1.00 0.00 C ATOM 899 CD PRO A 56 -23.675 -0.201 -6.857 1.00 0.00 C ATOM 0 HA PRO A 56 -21.084 -0.865 -5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.790 -1.901 -4.366 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -22.821 -0.617 -3.672 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -25.050 -0.144 -5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -23.727 0.998 -5.056 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.535 -0.607 -7.389 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -23.427 0.749 -7.330 1.00 0.00 H new ATOM 907 N ARG A 57 -22.530 -3.796 -5.695 1.00 0.00 N ATOM 908 CA ARG A 57 -22.418 -5.258 -5.533 1.00 0.00 C ATOM 909 C ARG A 57 -21.138 -5.835 -6.176 1.00 0.00 C ATOM 910 O ARG A 57 -20.552 -6.796 -5.665 1.00 0.00 O ATOM 911 CB ARG A 57 -23.670 -5.922 -6.175 1.00 0.00 C ATOM 912 CG ARG A 57 -23.826 -5.620 -7.683 1.00 0.00 C ATOM 913 CD ARG A 57 -25.088 -6.211 -8.309 1.00 0.00 C ATOM 914 NE ARG A 57 -25.172 -5.867 -9.737 1.00 0.00 N ATOM 915 CZ ARG A 57 -26.284 -5.502 -10.391 1.00 0.00 C ATOM 916 NH1 ARG A 57 -27.435 -5.374 -9.749 1.00 0.00 N ATOM 917 NH2 ARG A 57 -26.239 -5.253 -11.690 1.00 0.00 N ATOM 0 H ARG A 57 -23.410 -3.515 -6.128 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.359 -5.475 -4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -23.611 -7.001 -6.033 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.562 -5.580 -5.650 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -23.833 -4.540 -7.828 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -22.955 -6.007 -8.212 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -25.085 -7.295 -8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -25.968 -5.836 -7.787 1.00 0.00 H new ATOM 0 HE ARG A 57 -24.308 -5.910 -10.277 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -27.482 -5.554 -8.746 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -28.274 -5.096 -10.257 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -25.357 -5.339 -12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -27.086 -4.975 -12.186 1.00 0.00 H new ATOM 931 N THR A 58 -20.716 -5.236 -7.298 1.00 0.00 N ATOM 932 CA THR A 58 -19.640 -5.773 -8.142 1.00 0.00 C ATOM 933 C THR A 58 -18.247 -5.379 -7.588 1.00 0.00 C ATOM 934 O THR A 58 -18.104 -4.347 -6.933 1.00 0.00 O ATOM 935 CB THR A 58 -19.829 -5.292 -9.612 1.00 0.00 C ATOM 936 OG1 THR A 58 -21.178 -5.550 -10.041 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.856 -5.976 -10.593 1.00 0.00 C ATOM 0 H THR A 58 -21.112 -4.363 -7.647 1.00 0.00 H new ATOM 0 HA THR A 58 -19.693 -6.862 -8.128 1.00 0.00 H new ATOM 0 HB THR A 58 -19.617 -4.223 -9.622 1.00 0.00 H new ATOM 0 HG1 THR A 58 -21.292 -5.244 -10.965 1.00 0.00 H new ATOM 0 HG21 THR A 58 -19.034 -5.602 -11.601 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.829 -5.756 -10.300 1.00 0.00 H new ATOM 0 HG23 THR A 58 -19.016 -7.054 -10.572 1.00 0.00 H new ATOM 945 N THR A 59 -17.242 -6.235 -7.848 1.00 0.00 N ATOM 946 CA THR A 59 -15.879 -6.086 -7.316 1.00 0.00 C ATOM 947 C THR A 59 -15.047 -5.094 -8.179 1.00 0.00 C ATOM 948 O THR A 59 -15.384 -4.812 -9.339 1.00 0.00 O ATOM 949 CB THR A 59 -15.178 -7.493 -7.259 1.00 0.00 C ATOM 950 OG1 THR A 59 -16.133 -8.496 -6.881 1.00 0.00 O ATOM 951 CG2 THR A 59 -14.010 -7.538 -6.259 1.00 0.00 C ATOM 0 H THR A 59 -17.357 -7.058 -8.440 1.00 0.00 H new ATOM 0 HA THR A 59 -15.940 -5.676 -6.308 1.00 0.00 H new ATOM 0 HB THR A 59 -14.779 -7.682 -8.255 1.00 0.00 H new ATOM 0 HG1 THR A 59 -15.693 -9.371 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.565 -8.533 -6.263 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.258 -6.803 -6.545 1.00 0.00 H new ATOM 0 HG23 THR A 59 -14.378 -7.310 -5.259 1.00 0.00 H new ATOM 959 N LEU A 60 -13.943 -4.603 -7.589 1.00 0.00 N ATOM 960 CA LEU A 60 -13.014 -3.630 -8.205 1.00 0.00 C ATOM 961 C LEU A 60 -12.243 -4.247 -9.388 1.00 0.00 C ATOM 962 O LEU A 60 -12.047 -3.594 -10.425 1.00 0.00 O ATOM 963 CB LEU A 60 -12.017 -3.105 -7.119 1.00 0.00 C ATOM 964 CG LEU A 60 -12.460 -1.833 -6.320 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.830 -1.995 -5.669 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.397 -1.433 -5.279 1.00 0.00 C ATOM 0 H LEU A 60 -13.662 -4.876 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.600 -2.799 -8.599 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.835 -3.909 -6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.066 -2.888 -7.605 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.552 -1.025 -7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.086 -1.084 -5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.579 -2.183 -6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.806 -2.834 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.731 -0.547 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.250 -2.252 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.456 -1.216 -5.785 1.00 0.00 H new ATOM 978 N GLU A 61 -11.803 -5.502 -9.196 1.00 0.00 N ATOM 979 CA GLU A 61 -11.101 -6.318 -10.222 1.00 0.00 C ATOM 980 C GLU A 61 -11.885 -6.406 -11.560 1.00 0.00 C ATOM 981 O GLU A 61 -11.288 -6.544 -12.634 1.00 0.00 O ATOM 982 CB GLU A 61 -10.867 -7.741 -9.650 1.00 0.00 C ATOM 983 CG GLU A 61 -12.166 -8.453 -9.225 1.00 0.00 C ATOM 984 CD GLU A 61 -11.959 -9.862 -8.660 1.00 0.00 C ATOM 985 OE1 GLU A 61 -11.604 -9.993 -7.468 1.00 0.00 O ATOM 986 OE2 GLU A 61 -12.164 -10.844 -9.403 1.00 0.00 O ATOM 0 H GLU A 61 -11.923 -5.994 -8.310 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.153 -5.830 -10.448 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.359 -8.347 -10.400 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.201 -7.673 -8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.671 -7.844 -8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.831 -8.514 -10.086 1.00 0.00 H new ATOM 993 N GLU A 62 -13.227 -6.330 -11.467 1.00 0.00 N ATOM 994 CA GLU A 62 -14.131 -6.386 -12.629 1.00 0.00 C ATOM 995 C GLU A 62 -14.124 -5.066 -13.403 1.00 0.00 C ATOM 996 O GLU A 62 -14.186 -5.061 -14.634 1.00 0.00 O ATOM 997 CB GLU A 62 -15.566 -6.741 -12.159 1.00 0.00 C ATOM 998 CG GLU A 62 -15.715 -8.170 -11.593 1.00 0.00 C ATOM 999 CD GLU A 62 -15.359 -9.251 -12.631 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -16.171 -9.487 -13.556 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -14.265 -9.853 -12.548 1.00 0.00 O ATOM 0 H GLU A 62 -13.716 -6.227 -10.578 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.776 -7.163 -13.306 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.872 -6.027 -11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.250 -6.622 -12.999 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.071 -8.282 -10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.740 -8.319 -11.254 1.00 0.00 H new ATOM 1008 N TYR A 63 -14.024 -3.951 -12.671 1.00 0.00 N ATOM 1009 CA TYR A 63 -14.070 -2.599 -13.261 1.00 0.00 C ATOM 1010 C TYR A 63 -12.669 -2.008 -13.489 1.00 0.00 C ATOM 1011 O TYR A 63 -12.566 -0.828 -13.824 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.913 -1.670 -12.363 1.00 0.00 C ATOM 1013 CG TYR A 63 -16.397 -2.059 -12.279 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -17.134 -2.322 -13.437 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -17.062 -2.131 -11.065 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -18.477 -2.622 -13.376 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.403 -2.434 -11.001 1.00 0.00 C ATOM 1018 CZ TYR A 63 -19.104 -2.684 -12.156 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.450 -2.979 -12.083 1.00 0.00 O ATOM 0 H TYR A 63 -13.909 -3.955 -11.657 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.536 -2.682 -14.243 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.490 -1.671 -11.358 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.836 -0.650 -12.740 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.641 -2.289 -14.398 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.517 -1.946 -10.151 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -19.034 -2.807 -14.283 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.903 -2.475 -10.045 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.593 -3.917 -12.328 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.613 -2.832 -13.297 1.00 0.00 N ATOM 1030 CA ASN A 64 -10.206 -2.446 -13.573 1.00 0.00 C ATOM 1031 C ASN A 64 -9.801 -1.231 -12.706 1.00 0.00 C ATOM 1032 O ASN A 64 -9.036 -0.361 -13.142 1.00 0.00 O ATOM 1033 CB ASN A 64 -10.009 -2.170 -15.112 1.00 0.00 C ATOM 1034 CG ASN A 64 -8.569 -2.329 -15.655 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -8.382 -2.682 -16.818 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -7.545 -2.070 -14.857 1.00 0.00 N ATOM 0 H ASN A 64 -11.711 -3.785 -12.946 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.546 -3.270 -13.302 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.661 -2.844 -15.667 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.345 -1.155 -15.324 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.591 -2.163 -15.205 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.710 -1.778 -13.894 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.319 -1.192 -11.460 1.00 0.00 N ATOM 1044 CA ILE A 65 -10.025 -0.111 -10.505 1.00 0.00 C ATOM 1045 C ILE A 65 -8.550 -0.222 -10.068 1.00 0.00 C ATOM 1046 O ILE A 65 -8.218 -0.952 -9.134 1.00 0.00 O ATOM 1047 CB ILE A 65 -10.988 -0.160 -9.260 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.489 -0.172 -9.701 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.716 1.005 -8.274 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -12.974 1.093 -10.370 1.00 0.00 C ATOM 0 H ILE A 65 -10.948 -1.906 -11.093 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.191 0.850 -10.993 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.781 -1.092 -8.735 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.644 -1.007 -10.384 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.107 -0.360 -8.823 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.401 0.934 -7.429 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.689 0.945 -7.914 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.866 1.956 -8.785 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -14.025 0.983 -10.637 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.859 1.934 -9.686 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.388 1.276 -11.271 1.00 0.00 H new ATOM 1062 N THR A 66 -7.680 0.435 -10.842 1.00 0.00 N ATOM 1063 CA THR A 66 -6.217 0.422 -10.667 1.00 0.00 C ATOM 1064 C THR A 66 -5.719 1.707 -9.963 1.00 0.00 C ATOM 1065 O THR A 66 -6.447 2.693 -9.925 1.00 0.00 O ATOM 1066 CB THR A 66 -5.543 0.239 -12.076 1.00 0.00 C ATOM 1067 OG1 THR A 66 -6.258 0.982 -13.080 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.468 -1.238 -12.476 1.00 0.00 C ATOM 0 H THR A 66 -7.979 1.008 -11.631 1.00 0.00 H new ATOM 0 HA THR A 66 -5.938 -0.411 -10.022 1.00 0.00 H new ATOM 0 HB THR A 66 -4.526 0.624 -12.003 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.824 0.858 -13.950 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.997 -1.326 -13.455 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.880 -1.785 -11.739 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.474 -1.655 -12.519 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.470 1.713 -9.371 1.00 0.00 N ATOM 1077 CA PRO A 67 -3.963 2.884 -8.604 1.00 0.00 C ATOM 1078 C PRO A 67 -3.805 4.142 -9.488 1.00 0.00 C ATOM 1079 O PRO A 67 -3.197 4.077 -10.560 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.597 2.400 -8.049 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.174 1.286 -8.964 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.457 0.609 -9.399 1.00 0.00 C ATOM 0 HA PRO A 67 -4.654 3.190 -7.819 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.865 3.207 -8.046 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.691 2.051 -7.021 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.623 1.671 -9.822 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.515 0.585 -8.451 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.364 0.177 -10.395 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.730 -0.202 -8.724 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.387 5.264 -9.038 1.00 0.00 N ATOM 1091 CA GLY A 68 -4.232 6.560 -9.702 1.00 0.00 C ATOM 1092 C GLY A 68 -5.380 6.924 -10.632 1.00 0.00 C ATOM 1093 O GLY A 68 -5.346 7.991 -11.255 1.00 0.00 O ATOM 0 H GLY A 68 -4.976 5.295 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.134 7.336 -8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.304 6.555 -10.273 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.398 6.047 -10.750 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.586 6.323 -11.587 1.00 0.00 C ATOM 1099 C VAL A 69 -8.541 7.308 -10.890 1.00 0.00 C ATOM 1100 O VAL A 69 -8.582 7.387 -9.653 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.359 5.012 -11.986 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.447 4.062 -12.802 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.964 4.303 -10.746 1.00 0.00 C ATOM 0 H VAL A 69 -6.422 5.143 -10.278 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.215 6.779 -12.505 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.195 5.299 -12.624 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.003 3.162 -13.067 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.118 4.566 -13.711 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.578 3.789 -12.203 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.490 3.402 -11.062 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.165 4.033 -10.055 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.663 4.975 -10.248 1.00 0.00 H new ATOM 1113 N THR A 70 -9.290 8.066 -11.704 1.00 0.00 N ATOM 1114 CA THR A 70 -10.245 9.068 -11.226 1.00 0.00 C ATOM 1115 C THR A 70 -11.685 8.565 -11.459 1.00 0.00 C ATOM 1116 O THR A 70 -12.203 8.601 -12.584 1.00 0.00 O ATOM 1117 CB THR A 70 -10.032 10.445 -11.944 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.637 10.772 -11.958 1.00 0.00 O ATOM 1119 CG2 THR A 70 -10.815 11.584 -11.250 1.00 0.00 C ATOM 0 H THR A 70 -9.247 7.998 -12.721 1.00 0.00 H new ATOM 0 HA THR A 70 -10.079 9.218 -10.159 1.00 0.00 H new ATOM 0 HB THR A 70 -10.408 10.347 -12.962 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.507 11.632 -12.409 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.640 12.521 -11.779 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.880 11.354 -11.263 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.477 11.681 -10.218 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.280 8.024 -10.392 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.719 7.735 -10.322 1.00 0.00 C ATOM 1129 C LEU A 71 -14.481 9.058 -10.218 1.00 0.00 C ATOM 1130 O LEU A 71 -13.909 10.084 -9.844 1.00 0.00 O ATOM 1131 CB LEU A 71 -14.044 6.815 -9.102 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.782 5.272 -9.271 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.504 4.954 -10.066 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.740 4.584 -7.892 1.00 0.00 C ATOM 0 H LEU A 71 -11.773 7.771 -9.544 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.026 7.204 -11.223 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.460 7.165 -8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -15.095 6.953 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.614 4.878 -9.855 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.384 3.874 -10.145 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.580 5.385 -11.064 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.641 5.378 -9.553 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.558 3.517 -8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.939 5.018 -7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.693 4.730 -7.383 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.769 9.029 -10.549 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.638 10.210 -10.501 1.00 0.00 C ATOM 1148 C GLU A 72 -17.975 9.821 -9.892 1.00 0.00 C ATOM 1149 O GLU A 72 -18.411 8.680 -10.011 1.00 0.00 O ATOM 1150 CB GLU A 72 -16.822 10.843 -11.908 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.573 11.581 -12.441 1.00 0.00 C ATOM 1152 CD GLU A 72 -15.795 12.237 -13.810 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -15.415 11.639 -14.842 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -16.354 13.353 -13.862 1.00 0.00 O ATOM 0 H GLU A 72 -16.246 8.183 -10.860 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.167 10.969 -9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.095 10.058 -12.614 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.656 11.544 -11.872 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.277 12.346 -11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.746 10.875 -12.514 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.605 10.772 -9.206 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.936 10.589 -8.633 1.00 0.00 C ATOM 1163 C LEU A 73 -20.948 11.330 -9.489 1.00 0.00 C ATOM 1164 O LEU A 73 -20.789 12.522 -9.751 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.983 11.065 -7.158 1.00 0.00 C ATOM 1166 CG LEU A 73 -19.146 10.207 -6.158 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -19.274 10.733 -4.707 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.537 8.708 -6.254 1.00 0.00 C ATOM 0 H LEU A 73 -18.205 11.694 -9.031 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.183 9.527 -8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.629 12.095 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -21.022 11.070 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.097 10.299 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.678 10.110 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.916 11.761 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.319 10.698 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.940 8.130 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.594 8.592 -6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.351 8.348 -7.266 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.924 10.583 -10.009 1.00 0.00 N ATOM 1181 CA LYS A 74 -23.101 11.127 -10.714 1.00 0.00 C ATOM 1182 C LYS A 74 -24.336 10.778 -9.872 1.00 0.00 C ATOM 1183 O LYS A 74 -24.398 9.685 -9.315 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.206 10.542 -12.166 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.311 11.240 -13.241 1.00 0.00 C ATOM 1186 CD LYS A 74 -20.790 11.166 -12.952 1.00 0.00 C ATOM 1187 CE LYS A 74 -19.930 11.924 -13.971 1.00 0.00 C ATOM 1188 NZ LYS A 74 -20.164 13.386 -13.926 1.00 0.00 N ATOM 0 H LYS A 74 -21.925 9.564 -9.954 1.00 0.00 H new ATOM 0 HA LYS A 74 -23.018 12.208 -10.826 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.944 9.484 -12.132 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.245 10.603 -12.489 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.507 10.784 -14.211 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.604 12.287 -13.316 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.598 11.569 -11.957 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.483 10.120 -12.937 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.877 11.721 -13.777 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.147 11.554 -14.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.491 13.865 -14.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.135 13.592 -14.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.030 13.729 -12.953 1.00 0.00 H new ATOM 1202 N THR A 75 -25.299 11.706 -9.767 1.00 0.00 N ATOM 1203 CA THR A 75 -26.464 11.547 -8.871 1.00 0.00 C ATOM 1204 C THR A 75 -27.368 10.359 -9.283 1.00 0.00 C ATOM 1205 O THR A 75 -27.525 10.051 -10.467 1.00 0.00 O ATOM 1206 CB THR A 75 -27.282 12.870 -8.784 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.600 13.343 -10.109 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.517 13.959 -8.001 1.00 0.00 C ATOM 0 H THR A 75 -25.297 12.580 -10.293 1.00 0.00 H new ATOM 0 HA THR A 75 -26.074 11.317 -7.879 1.00 0.00 H new ATOM 0 HB THR A 75 -28.205 12.658 -8.245 1.00 0.00 H new ATOM 0 HG1 THR A 75 -28.116 14.174 -10.045 1.00 0.00 H new ATOM 0 HG21 THR A 75 -27.118 14.868 -7.960 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.321 13.608 -6.988 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.572 14.171 -8.501 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.938 9.696 -8.270 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.718 8.462 -8.418 1.00 0.00 C ATOM 1218 C ARG A 76 -30.118 8.688 -7.851 1.00 0.00 C ATOM 1219 O ARG A 76 -30.256 9.010 -6.661 1.00 0.00 O ATOM 1220 CB ARG A 76 -28.017 7.297 -7.663 1.00 0.00 C ATOM 1221 CG ARG A 76 -28.543 5.885 -8.007 1.00 0.00 C ATOM 1222 CD ARG A 76 -27.766 4.772 -7.279 1.00 0.00 C ATOM 1223 NE ARG A 76 -28.052 3.435 -7.835 1.00 0.00 N ATOM 1224 CZ ARG A 76 -27.827 2.271 -7.203 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -27.455 2.246 -5.930 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -28.004 1.130 -7.846 1.00 0.00 N ATOM 0 H ARG A 76 -27.868 10.010 -7.302 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.790 8.198 -9.473 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -26.950 7.334 -7.880 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.130 7.459 -6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -29.598 5.820 -7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -28.474 5.727 -9.083 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -26.697 4.972 -7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -28.023 4.785 -6.220 1.00 0.00 H new ATOM 0 HE ARG A 76 -28.452 3.391 -8.772 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -27.336 3.119 -5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -27.288 1.354 -5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -28.310 1.135 -8.819 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -27.834 0.244 -7.369 1.00 0.00 H new