USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 603 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 38 THR OG1 : rot 143:sc= 0.568 USER MOD Set 1.2: A 53 THR OG1 : rot 52:sc= 0.877 USER MOD Set 2.1: A 21 THR OG1 : rot 125:sc= -0.744 USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= 0.109 USER MOD Set 3.1: A 7 THR OG1 : rot -178:sc= 0.745 USER MOD Set 3.2: A 24 ASN : amide:sc= -4.26! C(o=-3.5!,f=-9.4!) USER MOD Set 4.1: A 12 SER OG : rot 119:sc= -0.411! USER MOD Set 4.2: A 14 ASN : amide:sc= -1.98! C(o=-6.3!,f=-6.7!) USER MOD Set 4.3: A 15 SER OG : rot 159:sc= -3.86! USER MOD Single : A 1 ASP N :NH3+ -113:sc= 0.11 (180deg=-0.177) USER MOD Single : A 3 SER OG : rot 180:sc= -0.189 USER MOD Single : A 5 THR OG1 : rot 6:sc= -1.48! USER MOD Single : A 6 ASN : amide:sc= -19.1! C(o=-19!,f=-19!) USER MOD Single : A 8 ASN :FLIP amide:sc= -11.4! C(o=-13!,f=-11!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -2.48! C(o=-2.5!,f=-4.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -106:sc= -0.139 USER MOD Single : A 23 THR OG1 : rot -26:sc= 0.37 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 73:sc= -8.43! USER MOD Single : A 33 TYR OH : rot -1:sc= 0.931 USER MOD Single : A 35 THR OG1 : rot -21:sc= -0.878! USER MOD Single : A 40 SER OG : rot 160:sc= -0.715 USER MOD Single : A 46 THR OG1 : rot -30:sc= 0.495 USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.73! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 40:sc= 0.766 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 20:sc= 0.51! USER MOD Single : A 55 SER OG : rot 25:sc= 0.223 USER MOD Single : A 58 SER OG : rot 180:sc= -1.45 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -10:sc= 0.0893 USER MOD Single : A 77 SER OG : rot 47:sc= -0.223! USER MOD Single : A 81 LYS NZ :NH3+ -136:sc= -9.51! (180deg=-13.7!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -10.3! C(o=-10!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 48.321 9.173 0.431 1.00 0.00 N ATOM 2 CA ASP A 1 48.134 7.696 0.357 1.00 0.00 C ATOM 3 C ASP A 1 46.890 7.361 -0.470 1.00 0.00 C ATOM 4 O ASP A 1 46.202 8.237 -0.955 1.00 0.00 O ATOM 5 CB ASP A 1 47.952 7.246 1.806 1.00 0.00 C ATOM 6 CG ASP A 1 46.616 7.766 2.340 1.00 0.00 C ATOM 7 OD1 ASP A 1 45.619 7.093 2.138 1.00 0.00 O ATOM 8 OD2 ASP A 1 46.613 8.828 2.939 1.00 0.00 O ATOM 0 H1 ASP A 1 49.183 9.440 -0.086 1.00 0.00 H new ATOM 0 H2 ASP A 1 47.500 9.649 0.005 1.00 0.00 H new ATOM 0 H3 ASP A 1 48.411 9.462 1.426 1.00 0.00 H new ATOM 0 HA ASP A 1 48.977 7.197 -0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 1 47.981 6.158 1.866 1.00 0.00 H new ATOM 0 HB3 ASP A 1 48.771 7.621 2.420 1.00 0.00 H new ATOM 15 N GLY A 2 46.599 6.100 -0.637 1.00 0.00 N ATOM 16 CA GLY A 2 45.402 5.710 -1.435 1.00 0.00 C ATOM 17 C GLY A 2 45.850 4.944 -2.682 1.00 0.00 C ATOM 18 O GLY A 2 46.506 3.925 -2.593 1.00 0.00 O ATOM 0 H GLY A 2 47.138 5.323 -0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 2 44.736 5.091 -0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 2 44.838 6.597 -1.723 1.00 0.00 H new ATOM 22 N SER A 3 45.502 5.426 -3.845 1.00 0.00 N ATOM 23 CA SER A 3 45.911 4.721 -5.095 1.00 0.00 C ATOM 24 C SER A 3 47.438 4.633 -5.176 1.00 0.00 C ATOM 25 O SER A 3 47.991 3.637 -5.601 1.00 0.00 O ATOM 26 CB SER A 3 45.365 5.583 -6.232 1.00 0.00 C ATOM 27 OG SER A 3 46.354 6.530 -6.619 1.00 0.00 O ATOM 0 H SER A 3 44.954 6.275 -3.984 1.00 0.00 H new ATOM 0 HA SER A 3 45.530 3.701 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 3 45.093 4.956 -7.081 1.00 0.00 H new ATOM 0 HB3 SER A 3 44.458 6.097 -5.912 1.00 0.00 H new ATOM 0 HG SER A 3 46.008 7.084 -7.350 1.00 0.00 H new ATOM 33 N CYS A 4 48.122 5.668 -4.774 1.00 0.00 N ATOM 34 CA CYS A 4 49.612 5.647 -4.828 1.00 0.00 C ATOM 35 C CYS A 4 50.140 4.315 -4.293 1.00 0.00 C ATOM 36 O CYS A 4 49.626 3.774 -3.336 1.00 0.00 O ATOM 37 CB CYS A 4 50.053 6.801 -3.926 1.00 0.00 C ATOM 38 SG CYS A 4 51.820 6.650 -3.561 1.00 0.00 S ATOM 0 H CYS A 4 47.714 6.529 -4.410 1.00 0.00 H new ATOM 0 HA CYS A 4 49.993 5.754 -5.844 1.00 0.00 H new ATOM 0 HB2 CYS A 4 49.853 7.754 -4.415 1.00 0.00 H new ATOM 0 HB3 CYS A 4 49.478 6.791 -3.000 1.00 0.00 H new ATOM 43 N THR A 5 51.173 3.791 -4.895 1.00 0.00 N ATOM 44 CA THR A 5 51.747 2.510 -4.423 1.00 0.00 C ATOM 45 C THR A 5 53.044 2.254 -5.174 1.00 0.00 C ATOM 46 O THR A 5 54.111 2.583 -4.703 1.00 0.00 O ATOM 47 CB THR A 5 50.718 1.434 -4.766 1.00 0.00 C ATOM 48 OG1 THR A 5 49.611 1.533 -3.881 1.00 0.00 O ATOM 49 CG2 THR A 5 51.367 0.057 -4.620 1.00 0.00 C ATOM 0 H THR A 5 51.644 4.203 -5.700 1.00 0.00 H new ATOM 0 HA THR A 5 51.961 2.518 -3.354 1.00 0.00 H new ATOM 0 HB THR A 5 50.372 1.571 -5.790 1.00 0.00 H new ATOM 0 HG1 THR A 5 49.714 2.327 -3.316 1.00 0.00 H new ATOM 0 HG21 THR A 5 50.638 -0.716 -4.863 1.00 0.00 H new ATOM 0 HG22 THR A 5 52.217 -0.019 -5.299 1.00 0.00 H new ATOM 0 HG23 THR A 5 51.709 -0.077 -3.594 1.00 0.00 H new ATOM 57 N ASN A 6 52.954 1.677 -6.350 1.00 0.00 N ATOM 58 CA ASN A 6 54.189 1.399 -7.147 1.00 0.00 C ATOM 59 C ASN A 6 53.885 0.433 -8.297 1.00 0.00 C ATOM 60 O ASN A 6 54.285 -0.714 -8.279 1.00 0.00 O ATOM 61 CB ASN A 6 55.162 0.764 -6.156 1.00 0.00 C ATOM 62 CG ASN A 6 54.408 -0.213 -5.250 1.00 0.00 C ATOM 63 OD1 ASN A 6 53.863 -1.195 -5.714 1.00 0.00 O ATOM 64 ND2 ASN A 6 54.353 0.020 -3.967 1.00 0.00 N ATOM 0 H ASN A 6 52.080 1.388 -6.790 1.00 0.00 H new ATOM 0 HA ASN A 6 54.595 2.303 -7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 6 55.954 0.241 -6.693 1.00 0.00 H new ATOM 0 HB3 ASN A 6 55.641 1.537 -5.555 1.00 0.00 H new ATOM 0 HD21 ASN A 6 53.852 -0.622 -3.353 1.00 0.00 H new ATOM 0 HD22 ASN A 6 54.811 0.844 -3.578 1.00 0.00 H new ATOM 71 N THR A 7 53.188 0.893 -9.300 1.00 0.00 N ATOM 72 CA THR A 7 52.864 0.008 -10.456 1.00 0.00 C ATOM 73 C THR A 7 51.988 -1.165 -10.004 1.00 0.00 C ATOM 74 O THR A 7 50.815 -1.230 -10.315 1.00 0.00 O ATOM 75 CB THR A 7 54.218 -0.491 -10.966 1.00 0.00 C ATOM 76 OG1 THR A 7 55.148 0.584 -10.960 1.00 0.00 O ATOM 77 CG2 THR A 7 54.064 -1.026 -12.390 1.00 0.00 C ATOM 0 H THR A 7 52.828 1.845 -9.369 1.00 0.00 H new ATOM 0 HA THR A 7 52.306 0.532 -11.232 1.00 0.00 H new ATOM 0 HB THR A 7 54.579 -1.290 -10.318 1.00 0.00 H new ATOM 0 HG1 THR A 7 56.006 0.276 -11.321 1.00 0.00 H new ATOM 0 HG21 THR A 7 55.029 -1.381 -12.752 1.00 0.00 H new ATOM 0 HG22 THR A 7 53.350 -1.849 -12.394 1.00 0.00 H new ATOM 0 HG23 THR A 7 53.703 -0.230 -13.041 1.00 0.00 H new ATOM 85 N ASN A 8 52.547 -2.089 -9.269 1.00 0.00 N ATOM 86 CA ASN A 8 51.741 -3.252 -8.797 1.00 0.00 C ATOM 87 C ASN A 8 50.469 -2.753 -8.105 1.00 0.00 C ATOM 88 O ASN A 8 49.380 -3.218 -8.381 1.00 0.00 O ATOM 89 CB ASN A 8 52.659 -3.983 -7.814 1.00 0.00 C ATOM 90 CG ASN A 8 51.832 -4.863 -6.878 1.00 0.00 C ATOM 91 OD1 ASN A 8 50.663 -5.292 -7.264 1.00 0.00 O flip ATOM 92 ND2 ASN A 8 52.259 -5.170 -5.786 1.00 0.00 N flip ATOM 0 H ASN A 8 53.524 -2.089 -8.976 1.00 0.00 H new ATOM 0 HA ASN A 8 51.419 -3.906 -9.607 1.00 0.00 H new ATOM 0 HB2 ASN A 8 53.377 -4.594 -8.361 1.00 0.00 H new ATOM 0 HB3 ASN A 8 53.233 -3.260 -7.234 1.00 0.00 H new ATOM 0 HD21 ASN A 8 53.174 -4.835 -5.483 1.00 0.00 H new ATOM 0 HD22 ASN A 8 51.704 -5.764 -5.170 1.00 0.00 H new ATOM 99 N SER A 9 50.600 -1.796 -7.226 1.00 0.00 N ATOM 100 CA SER A 9 49.404 -1.236 -6.525 1.00 0.00 C ATOM 101 C SER A 9 48.860 -2.191 -5.463 1.00 0.00 C ATOM 102 O SER A 9 47.676 -2.458 -5.410 1.00 0.00 O ATOM 103 CB SER A 9 48.360 -1.002 -7.618 1.00 0.00 C ATOM 104 OG SER A 9 47.623 0.174 -7.320 1.00 0.00 O ATOM 0 H SER A 9 51.490 -1.374 -6.960 1.00 0.00 H new ATOM 0 HA SER A 9 49.663 -0.319 -5.996 1.00 0.00 H new ATOM 0 HB2 SER A 9 48.848 -0.903 -8.588 1.00 0.00 H new ATOM 0 HB3 SER A 9 47.689 -1.858 -7.685 1.00 0.00 H new ATOM 0 HG SER A 9 46.954 0.327 -8.020 1.00 0.00 H new ATOM 110 N GLN A 10 49.697 -2.684 -4.592 1.00 0.00 N ATOM 111 CA GLN A 10 49.189 -3.579 -3.525 1.00 0.00 C ATOM 112 C GLN A 10 49.260 -2.826 -2.191 1.00 0.00 C ATOM 113 O GLN A 10 48.470 -3.054 -1.298 1.00 0.00 O ATOM 114 CB GLN A 10 50.129 -4.800 -3.567 1.00 0.00 C ATOM 115 CG GLN A 10 50.862 -4.976 -2.237 1.00 0.00 C ATOM 116 CD GLN A 10 49.919 -5.608 -1.212 1.00 0.00 C ATOM 117 OE1 GLN A 10 49.476 -4.953 -0.289 1.00 0.00 O ATOM 118 NE2 GLN A 10 49.594 -6.866 -1.334 1.00 0.00 N ATOM 0 H GLN A 10 50.701 -2.506 -4.576 1.00 0.00 H new ATOM 0 HA GLN A 10 48.153 -3.893 -3.652 1.00 0.00 H new ATOM 0 HB2 GLN A 10 49.554 -5.698 -3.790 1.00 0.00 H new ATOM 0 HB3 GLN A 10 50.854 -4.677 -4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 10 51.741 -5.606 -2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 10 51.216 -4.011 -1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 10 49.966 -7.416 -2.109 1.00 0.00 H new ATOM 0 HE22 GLN A 10 48.968 -7.299 -0.655 1.00 0.00 H new ATOM 127 N LEU A 11 50.218 -1.928 -2.087 1.00 0.00 N ATOM 128 CA LEU A 11 50.425 -1.102 -0.850 1.00 0.00 C ATOM 129 C LEU A 11 49.580 -1.593 0.325 1.00 0.00 C ATOM 130 O LEU A 11 48.379 -1.411 0.354 1.00 0.00 O ATOM 131 CB LEU A 11 50.008 0.314 -1.247 1.00 0.00 C ATOM 132 CG LEU A 11 50.451 1.296 -0.160 1.00 0.00 C ATOM 133 CD1 LEU A 11 51.916 1.037 0.197 1.00 0.00 C ATOM 134 CD2 LEU A 11 50.299 2.730 -0.675 1.00 0.00 C ATOM 0 H LEU A 11 50.885 -1.729 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 11 51.460 -1.161 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 11 50.459 0.584 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 11 48.927 0.363 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 11 49.831 1.159 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 11 52.231 1.737 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.026 0.016 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 11 52.536 1.173 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 11 50.614 3.430 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 11 50.919 2.866 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 11 49.256 2.917 -0.930 1.00 0.00 H new ATOM 146 N SER A 12 50.202 -2.207 1.292 1.00 0.00 N ATOM 147 CA SER A 12 49.437 -2.708 2.476 1.00 0.00 C ATOM 148 C SER A 12 48.357 -1.697 2.879 1.00 0.00 C ATOM 149 O SER A 12 48.465 -0.518 2.607 1.00 0.00 O ATOM 150 CB SER A 12 50.474 -2.852 3.591 1.00 0.00 C ATOM 151 OG SER A 12 50.177 -1.940 4.641 1.00 0.00 O ATOM 0 H SER A 12 51.206 -2.385 1.317 1.00 0.00 H new ATOM 0 HA SER A 12 48.930 -3.650 2.266 1.00 0.00 H new ATOM 0 HB2 SER A 12 50.473 -3.873 3.972 1.00 0.00 H new ATOM 0 HB3 SER A 12 51.473 -2.658 3.200 1.00 0.00 H new ATOM 0 HG SER A 12 49.999 -2.438 5.466 1.00 0.00 H new ATOM 157 N ALA A 13 47.321 -2.150 3.528 1.00 0.00 N ATOM 158 CA ALA A 13 46.240 -1.213 3.948 1.00 0.00 C ATOM 159 C ALA A 13 46.769 -0.232 4.999 1.00 0.00 C ATOM 160 O ALA A 13 46.103 0.713 5.370 1.00 0.00 O ATOM 161 CB ALA A 13 45.152 -2.105 4.547 1.00 0.00 C ATOM 0 H ALA A 13 47.175 -3.126 3.786 1.00 0.00 H new ATOM 0 HA ALA A 13 45.865 -0.616 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 13 44.318 -1.487 4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 13 44.802 -2.809 3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 13 45.559 -2.655 5.396 1.00 0.00 H new ATOM 167 N ASN A 14 47.962 -0.448 5.484 1.00 0.00 N ATOM 168 CA ASN A 14 48.523 0.476 6.511 1.00 0.00 C ATOM 169 C ASN A 14 49.899 0.989 6.075 1.00 0.00 C ATOM 170 O ASN A 14 50.456 1.884 6.680 1.00 0.00 O ATOM 171 CB ASN A 14 48.637 -0.364 7.785 1.00 0.00 C ATOM 172 CG ASN A 14 49.826 -1.319 7.671 1.00 0.00 C ATOM 173 OD1 ASN A 14 49.655 -2.491 7.400 1.00 0.00 O ATOM 174 ND2 ASN A 14 51.034 -0.866 7.866 1.00 0.00 N ATOM 0 H ASN A 14 48.570 -1.221 5.215 1.00 0.00 H new ATOM 0 HA ASN A 14 47.895 1.354 6.659 1.00 0.00 H new ATOM 0 HB2 ASN A 14 48.763 0.287 8.650 1.00 0.00 H new ATOM 0 HB3 ASN A 14 47.718 -0.929 7.942 1.00 0.00 H new ATOM 0 HD21 ASN A 14 51.833 -1.495 7.791 1.00 0.00 H new ATOM 0 HD22 ASN A 14 51.179 0.118 8.094 1.00 0.00 H new ATOM 181 N SER A 15 50.452 0.436 5.030 1.00 0.00 N ATOM 182 CA SER A 15 51.787 0.902 4.563 1.00 0.00 C ATOM 183 C SER A 15 51.686 2.342 4.052 1.00 0.00 C ATOM 184 O SER A 15 50.746 3.051 4.353 1.00 0.00 O ATOM 185 CB SER A 15 52.167 -0.046 3.425 1.00 0.00 C ATOM 186 OG SER A 15 53.222 -0.898 3.856 1.00 0.00 O ATOM 0 H SER A 15 50.037 -0.317 4.481 1.00 0.00 H new ATOM 0 HA SER A 15 52.531 0.894 5.360 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.303 -0.640 3.127 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.479 0.524 2.550 1.00 0.00 H new ATOM 0 HG SER A 15 53.245 -1.700 3.294 1.00 0.00 H new ATOM 192 N LYS A 16 52.644 2.779 3.281 1.00 0.00 N ATOM 193 CA LYS A 16 52.596 4.174 2.754 1.00 0.00 C ATOM 194 C LYS A 16 53.601 4.340 1.609 1.00 0.00 C ATOM 195 O LYS A 16 54.624 3.686 1.570 1.00 0.00 O ATOM 196 CB LYS A 16 52.982 5.059 3.939 1.00 0.00 C ATOM 197 CG LYS A 16 52.241 6.394 3.843 1.00 0.00 C ATOM 198 CD LYS A 16 52.907 7.415 4.767 1.00 0.00 C ATOM 199 CE LYS A 16 52.010 8.649 4.898 1.00 0.00 C ATOM 200 NZ LYS A 16 52.922 9.739 5.345 1.00 0.00 N ATOM 0 H LYS A 16 53.456 2.233 2.993 1.00 0.00 H new ATOM 0 HA LYS A 16 51.615 4.432 2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 16 52.733 4.560 4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.059 5.228 3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 16 52.253 6.756 2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 16 51.196 6.263 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 16 53.081 6.974 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 16 53.880 7.701 4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 16 51.536 8.895 3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 16 51.211 8.482 5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 52.381 10.620 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 53.354 9.479 6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 53.669 9.880 4.635 1.00 0.00 H new ATOM 214 N CYS A 17 53.318 5.210 0.678 1.00 0.00 N ATOM 215 CA CYS A 17 54.260 5.415 -0.461 1.00 0.00 C ATOM 216 C CYS A 17 54.626 6.894 -0.585 1.00 0.00 C ATOM 217 O CYS A 17 55.739 7.241 -0.926 1.00 0.00 O ATOM 218 CB CYS A 17 53.499 4.947 -1.701 1.00 0.00 C ATOM 219 SG CYS A 17 51.877 5.750 -1.753 1.00 0.00 S ATOM 0 H CYS A 17 52.477 5.787 0.656 1.00 0.00 H new ATOM 0 HA CYS A 17 55.192 4.866 -0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.065 5.188 -2.601 1.00 0.00 H new ATOM 0 HB3 CYS A 17 53.380 3.864 -1.680 1.00 0.00 H new ATOM 224 N GLU A 18 53.697 7.770 -0.318 1.00 0.00 N ATOM 225 CA GLU A 18 53.996 9.225 -0.429 1.00 0.00 C ATOM 226 C GLU A 18 54.459 9.551 -1.850 1.00 0.00 C ATOM 227 O GLU A 18 54.259 8.781 -2.769 1.00 0.00 O ATOM 228 CB GLU A 18 55.125 9.474 0.573 1.00 0.00 C ATOM 229 CG GLU A 18 54.562 10.140 1.830 1.00 0.00 C ATOM 230 CD GLU A 18 54.135 11.572 1.502 1.00 0.00 C ATOM 231 OE1 GLU A 18 55.008 12.394 1.280 1.00 0.00 O ATOM 232 OE2 GLU A 18 52.941 11.822 1.480 1.00 0.00 O ATOM 0 H GLU A 18 52.746 7.542 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 18 53.126 9.848 -0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 18 55.607 8.532 0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 18 55.889 10.109 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 18 53.710 9.572 2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 18 55.314 10.145 2.619 1.00 0.00 H new ATOM 239 N LYS A 19 55.081 10.680 -2.039 1.00 0.00 N ATOM 240 CA LYS A 19 55.561 11.044 -3.403 1.00 0.00 C ATOM 241 C LYS A 19 56.962 10.479 -3.628 1.00 0.00 C ATOM 242 O LYS A 19 57.913 11.210 -3.817 1.00 0.00 O ATOM 243 CB LYS A 19 55.591 12.571 -3.419 1.00 0.00 C ATOM 244 CG LYS A 19 54.450 13.093 -4.294 1.00 0.00 C ATOM 245 CD LYS A 19 54.633 14.593 -4.534 1.00 0.00 C ATOM 246 CE LYS A 19 54.098 14.956 -5.920 1.00 0.00 C ATOM 247 NZ LYS A 19 52.796 15.635 -5.666 1.00 0.00 N ATOM 0 H LYS A 19 55.278 11.366 -1.311 1.00 0.00 H new ATOM 0 HA LYS A 19 54.922 10.643 -4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 19 55.493 12.958 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 19 56.549 12.923 -3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 19 54.435 12.561 -5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 19 53.492 12.906 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 19 54.105 15.162 -3.768 1.00 0.00 H new ATOM 0 HD3 LYS A 19 55.687 14.858 -4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 19 54.788 15.612 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 19 53.966 14.067 -6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 52.368 15.914 -6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 52.157 14.984 -5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 52.954 16.481 -5.082 1.00 0.00 H new ATOM 261 N SER A 20 57.100 9.182 -3.603 1.00 0.00 N ATOM 262 CA SER A 20 58.446 8.577 -3.809 1.00 0.00 C ATOM 263 C SER A 20 58.623 8.132 -5.260 1.00 0.00 C ATOM 264 O SER A 20 57.800 8.403 -6.111 1.00 0.00 O ATOM 265 CB SER A 20 58.486 7.372 -2.872 1.00 0.00 C ATOM 266 OG SER A 20 57.609 6.365 -3.362 1.00 0.00 O ATOM 0 H SER A 20 56.342 8.517 -3.449 1.00 0.00 H new ATOM 0 HA SER A 20 59.247 9.286 -3.601 1.00 0.00 H new ATOM 0 HB2 SER A 20 59.502 6.984 -2.804 1.00 0.00 H new ATOM 0 HB3 SER A 20 58.190 7.669 -1.866 1.00 0.00 H new ATOM 0 HG SER A 20 56.802 6.335 -2.806 1.00 0.00 H new ATOM 272 N THR A 21 59.695 7.445 -5.546 1.00 0.00 N ATOM 273 CA THR A 21 59.930 6.975 -6.938 1.00 0.00 C ATOM 274 C THR A 21 59.691 5.468 -7.021 1.00 0.00 C ATOM 275 O THR A 21 60.019 4.831 -8.002 1.00 0.00 O ATOM 276 CB THR A 21 61.397 7.303 -7.225 1.00 0.00 C ATOM 277 OG1 THR A 21 62.106 7.413 -5.999 1.00 0.00 O ATOM 278 CG2 THR A 21 61.485 8.625 -7.988 1.00 0.00 C ATOM 0 H THR A 21 60.418 7.189 -4.874 1.00 0.00 H new ATOM 0 HA THR A 21 59.262 7.448 -7.658 1.00 0.00 H new ATOM 0 HB THR A 21 61.836 6.508 -7.828 1.00 0.00 H new ATOM 0 HG1 THR A 21 62.878 6.810 -6.013 1.00 0.00 H new ATOM 0 HG21 THR A 21 62.530 8.858 -8.192 1.00 0.00 H new ATOM 0 HG22 THR A 21 60.942 8.539 -8.929 1.00 0.00 H new ATOM 0 HG23 THR A 21 61.046 9.422 -7.387 1.00 0.00 H new ATOM 286 N LEU A 22 59.133 4.896 -5.986 1.00 0.00 N ATOM 287 CA LEU A 22 58.873 3.426 -5.978 1.00 0.00 C ATOM 288 C LEU A 22 58.427 2.945 -7.361 1.00 0.00 C ATOM 289 O LEU A 22 57.980 3.716 -8.188 1.00 0.00 O ATOM 290 CB LEU A 22 57.755 3.232 -4.952 1.00 0.00 C ATOM 291 CG LEU A 22 58.126 2.099 -3.993 1.00 0.00 C ATOM 292 CD1 LEU A 22 59.385 2.476 -3.208 1.00 0.00 C ATOM 293 CD2 LEU A 22 56.971 1.864 -3.015 1.00 0.00 C ATOM 0 H LEU A 22 58.844 5.388 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 22 59.766 2.854 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 22 57.595 4.155 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 22 56.819 3.000 -5.460 1.00 0.00 H new ATOM 0 HG LEU A 22 58.316 1.191 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 22 59.645 1.666 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 22 60.209 2.646 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 22 59.199 3.385 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 22 57.232 1.057 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 22 56.784 2.775 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 22 56.074 1.592 -3.571 1.00 0.00 H new ATOM 305 N THR A 23 58.550 1.673 -7.616 1.00 0.00 N ATOM 306 CA THR A 23 58.143 1.126 -8.940 1.00 0.00 C ATOM 307 C THR A 23 57.970 -0.390 -8.840 1.00 0.00 C ATOM 308 O THR A 23 58.873 -1.101 -8.448 1.00 0.00 O ATOM 309 CB THR A 23 59.296 1.471 -9.885 1.00 0.00 C ATOM 310 OG1 THR A 23 59.463 2.881 -9.931 1.00 0.00 O ATOM 311 CG2 THR A 23 58.985 0.946 -11.288 1.00 0.00 C ATOM 0 H THR A 23 58.917 0.984 -6.960 1.00 0.00 H new ATOM 0 HA THR A 23 57.197 1.539 -9.289 1.00 0.00 H new ATOM 0 HB THR A 23 60.213 1.008 -9.522 1.00 0.00 H new ATOM 0 HG1 THR A 23 58.613 3.318 -9.715 1.00 0.00 H new ATOM 0 HG21 THR A 23 59.807 1.193 -11.959 1.00 0.00 H new ATOM 0 HG22 THR A 23 58.858 -0.136 -11.252 1.00 0.00 H new ATOM 0 HG23 THR A 23 58.067 1.407 -11.654 1.00 0.00 H new ATOM 319 N ASN A 24 56.816 -0.889 -9.187 1.00 0.00 N ATOM 320 CA ASN A 24 56.587 -2.361 -9.107 1.00 0.00 C ATOM 321 C ASN A 24 56.853 -2.864 -7.685 1.00 0.00 C ATOM 322 O ASN A 24 57.712 -3.694 -7.461 1.00 0.00 O ATOM 323 CB ASN A 24 57.590 -2.972 -10.089 1.00 0.00 C ATOM 324 CG ASN A 24 57.094 -2.766 -11.521 1.00 0.00 C ATOM 325 OD1 ASN A 24 56.671 -1.686 -11.880 1.00 0.00 O ATOM 326 ND2 ASN A 24 57.129 -3.764 -12.362 1.00 0.00 N ATOM 0 H ASN A 24 56.022 -0.343 -9.522 1.00 0.00 H new ATOM 0 HA ASN A 24 55.560 -2.632 -9.351 1.00 0.00 H new ATOM 0 HB2 ASN A 24 58.568 -2.508 -9.962 1.00 0.00 H new ATOM 0 HB3 ASN A 24 57.713 -4.036 -9.885 1.00 0.00 H new ATOM 0 HD21 ASN A 24 56.801 -3.636 -13.319 1.00 0.00 H new ATOM 0 HD22 ASN A 24 57.484 -4.672 -12.062 1.00 0.00 H new ATOM 333 N CYS A 25 56.123 -2.370 -6.719 1.00 0.00 N ATOM 334 CA CYS A 25 56.341 -2.827 -5.316 1.00 0.00 C ATOM 335 C CYS A 25 55.058 -3.447 -4.749 1.00 0.00 C ATOM 336 O CYS A 25 54.191 -3.890 -5.475 1.00 0.00 O ATOM 337 CB CYS A 25 56.726 -1.567 -4.532 1.00 0.00 C ATOM 338 SG CYS A 25 58.399 -1.745 -3.861 1.00 0.00 S ATOM 0 H CYS A 25 55.388 -1.673 -6.841 1.00 0.00 H new ATOM 0 HA CYS A 25 57.114 -3.592 -5.253 1.00 0.00 H new ATOM 0 HB2 CYS A 25 56.677 -0.694 -5.183 1.00 0.00 H new ATOM 0 HB3 CYS A 25 56.016 -1.401 -3.722 1.00 0.00 H new ATOM 343 N TYR A 26 54.941 -3.472 -3.452 1.00 0.00 N ATOM 344 CA TYR A 26 53.740 -4.054 -2.792 1.00 0.00 C ATOM 345 C TYR A 26 53.613 -3.390 -1.427 1.00 0.00 C ATOM 346 O TYR A 26 52.617 -2.790 -1.076 1.00 0.00 O ATOM 347 CB TYR A 26 54.073 -5.543 -2.607 1.00 0.00 C ATOM 348 CG TYR A 26 53.916 -6.300 -3.906 1.00 0.00 C ATOM 349 CD1 TYR A 26 54.929 -6.250 -4.872 1.00 0.00 C ATOM 350 CD2 TYR A 26 52.766 -7.066 -4.140 1.00 0.00 C ATOM 351 CE1 TYR A 26 54.791 -6.959 -6.072 1.00 0.00 C ATOM 352 CE2 TYR A 26 52.630 -7.776 -5.338 1.00 0.00 C ATOM 353 CZ TYR A 26 53.641 -7.723 -6.304 1.00 0.00 C ATOM 354 OH TYR A 26 53.505 -8.424 -7.484 1.00 0.00 O ATOM 0 H TYR A 26 55.642 -3.106 -2.808 1.00 0.00 H new ATOM 0 HA TYR A 26 52.817 -3.915 -3.355 1.00 0.00 H new ATOM 0 HB2 TYR A 26 55.095 -5.648 -2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 26 53.418 -5.974 -1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 26 55.818 -5.664 -4.691 1.00 0.00 H new ATOM 0 HD2 TYR A 26 51.985 -7.108 -3.396 1.00 0.00 H new ATOM 0 HE1 TYR A 26 55.571 -6.916 -6.818 1.00 0.00 H new ATOM 0 HE2 TYR A 26 51.743 -8.366 -5.517 1.00 0.00 H new ATOM 0 HH TYR A 26 52.650 -8.902 -7.484 1.00 0.00 H new ATOM 364 N VAL A 27 54.660 -3.497 -0.676 1.00 0.00 N ATOM 365 CA VAL A 27 54.709 -2.895 0.682 1.00 0.00 C ATOM 366 C VAL A 27 53.573 -3.438 1.549 1.00 0.00 C ATOM 367 O VAL A 27 52.408 -3.287 1.237 1.00 0.00 O ATOM 368 CB VAL A 27 54.570 -1.386 0.466 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.123 -0.661 1.693 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.367 -0.959 -0.776 1.00 0.00 C ATOM 0 H VAL A 27 55.510 -3.989 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 27 55.635 -3.136 1.203 1.00 0.00 H new ATOM 0 HB VAL A 27 53.520 -1.133 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 27 55.030 0.416 1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 27 54.561 -0.961 2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.173 -0.920 1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.263 0.116 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.419 -1.206 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 27 54.985 -1.484 -1.652 1.00 0.00 H new ATOM 380 N ASP A 28 53.910 -4.073 2.637 1.00 0.00 N ATOM 381 CA ASP A 28 52.863 -4.634 3.536 1.00 0.00 C ATOM 382 C ASP A 28 52.860 -3.876 4.865 1.00 0.00 C ATOM 383 O ASP A 28 51.867 -3.825 5.564 1.00 0.00 O ATOM 384 CB ASP A 28 53.272 -6.090 3.754 1.00 0.00 C ATOM 385 CG ASP A 28 52.479 -6.995 2.810 1.00 0.00 C ATOM 386 OD1 ASP A 28 51.927 -6.481 1.851 1.00 0.00 O ATOM 387 OD2 ASP A 28 52.437 -8.188 3.061 1.00 0.00 O ATOM 0 H ASP A 28 54.870 -4.228 2.944 1.00 0.00 H new ATOM 0 HA ASP A 28 51.861 -4.550 3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 28 54.341 -6.208 3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 28 53.089 -6.378 4.789 1.00 0.00 H new ATOM 392 N LYS A 29 53.971 -3.285 5.213 1.00 0.00 N ATOM 393 CA LYS A 29 54.061 -2.524 6.492 1.00 0.00 C ATOM 394 C LYS A 29 55.291 -1.613 6.457 1.00 0.00 C ATOM 395 O LYS A 29 56.183 -1.730 7.273 1.00 0.00 O ATOM 396 CB LYS A 29 54.226 -3.591 7.578 1.00 0.00 C ATOM 397 CG LYS A 29 52.907 -3.784 8.328 1.00 0.00 C ATOM 398 CD LYS A 29 52.923 -5.142 9.035 1.00 0.00 C ATOM 399 CE LYS A 29 53.907 -5.096 10.206 1.00 0.00 C ATOM 400 NZ LYS A 29 53.074 -4.768 11.397 1.00 0.00 N ATOM 0 H LYS A 29 54.828 -3.297 4.660 1.00 0.00 H new ATOM 0 HA LYS A 29 53.188 -1.896 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.539 -4.533 7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 29 55.010 -3.294 8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 29 52.768 -2.984 9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 29 52.069 -3.732 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 29 51.924 -5.388 9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 29 53.211 -5.925 8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 29 54.416 -6.052 10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 29 54.678 -4.343 10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 53.679 -4.719 12.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 52.607 -3.850 11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 52.353 -5.506 11.530 1.00 0.00 H new ATOM 414 N SER A 30 55.360 -0.720 5.507 1.00 0.00 N ATOM 415 CA SER A 30 56.553 0.171 5.421 1.00 0.00 C ATOM 416 C SER A 30 56.160 1.602 5.058 1.00 0.00 C ATOM 417 O SER A 30 55.160 1.847 4.413 1.00 0.00 O ATOM 418 CB SER A 30 57.410 -0.436 4.316 1.00 0.00 C ATOM 419 OG SER A 30 57.986 -1.646 4.786 1.00 0.00 O ATOM 0 H SER A 30 54.648 -0.569 4.792 1.00 0.00 H new ATOM 0 HA SER A 30 57.075 0.233 6.376 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.803 -0.627 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.192 0.263 4.020 1.00 0.00 H new ATOM 0 HG SER A 30 57.295 -2.339 4.837 1.00 0.00 H new ATOM 425 N GLU A 31 56.967 2.544 5.459 1.00 0.00 N ATOM 426 CA GLU A 31 56.687 3.972 5.135 1.00 0.00 C ATOM 427 C GLU A 31 57.803 4.497 4.234 1.00 0.00 C ATOM 428 O GLU A 31 58.940 4.611 4.645 1.00 0.00 O ATOM 429 CB GLU A 31 56.688 4.700 6.478 1.00 0.00 C ATOM 430 CG GLU A 31 55.439 5.579 6.583 1.00 0.00 C ATOM 431 CD GLU A 31 55.839 7.052 6.483 1.00 0.00 C ATOM 432 OE1 GLU A 31 56.290 7.592 7.480 1.00 0.00 O ATOM 433 OE2 GLU A 31 55.688 7.616 5.412 1.00 0.00 O ATOM 0 H GLU A 31 57.816 2.385 6.002 1.00 0.00 H new ATOM 0 HA GLU A 31 55.740 4.114 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 31 56.708 3.979 7.295 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.585 5.312 6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 31 54.737 5.327 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 31 54.930 5.393 7.529 1.00 0.00 H new ATOM 440 N VAL A 32 57.499 4.791 3.003 1.00 0.00 N ATOM 441 CA VAL A 32 58.558 5.277 2.076 1.00 0.00 C ATOM 442 C VAL A 32 58.402 6.777 1.805 1.00 0.00 C ATOM 443 O VAL A 32 57.343 7.343 1.988 1.00 0.00 O ATOM 444 CB VAL A 32 58.344 4.469 0.798 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.561 4.628 -0.111 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.169 2.987 1.151 1.00 0.00 C ATOM 0 H VAL A 32 56.566 4.716 2.598 1.00 0.00 H new ATOM 0 HA VAL A 32 59.559 5.147 2.487 1.00 0.00 H new ATOM 0 HB VAL A 32 57.452 4.830 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 32 59.411 4.052 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.692 5.680 -0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.450 4.265 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 32 58.016 2.411 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.062 2.627 1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 32 57.304 2.868 1.804 1.00 0.00 H new ATOM 456 N TYR A 33 59.454 7.424 1.373 1.00 0.00 N ATOM 457 CA TYR A 33 59.366 8.888 1.098 1.00 0.00 C ATOM 458 C TYR A 33 59.946 9.223 -0.285 1.00 0.00 C ATOM 459 O TYR A 33 59.454 10.097 -0.971 1.00 0.00 O ATOM 460 CB TYR A 33 60.197 9.549 2.202 1.00 0.00 C ATOM 461 CG TYR A 33 59.394 9.601 3.482 1.00 0.00 C ATOM 462 CD1 TYR A 33 59.319 8.473 4.314 1.00 0.00 C ATOM 463 CD2 TYR A 33 58.723 10.777 3.837 1.00 0.00 C ATOM 464 CE1 TYR A 33 58.572 8.527 5.498 1.00 0.00 C ATOM 465 CE2 TYR A 33 57.977 10.828 5.022 1.00 0.00 C ATOM 466 CZ TYR A 33 57.902 9.703 5.851 1.00 0.00 C ATOM 467 OH TYR A 33 57.168 9.752 7.018 1.00 0.00 O ATOM 0 H TYR A 33 60.367 7.003 1.200 1.00 0.00 H new ATOM 0 HA TYR A 33 58.334 9.238 1.093 1.00 0.00 H new ATOM 0 HB2 TYR A 33 61.118 8.989 2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 33 60.485 10.556 1.900 1.00 0.00 H new ATOM 0 HD1 TYR A 33 59.836 7.565 4.042 1.00 0.00 H new ATOM 0 HD2 TYR A 33 58.780 11.645 3.197 1.00 0.00 H new ATOM 0 HE1 TYR A 33 58.513 7.660 6.139 1.00 0.00 H new ATOM 0 HE2 TYR A 33 57.460 11.736 5.296 1.00 0.00 H new ATOM 0 HH TYR A 33 57.208 8.882 7.467 1.00 0.00 H new ATOM 477 N GLY A 34 60.990 8.551 -0.699 1.00 0.00 N ATOM 478 CA GLY A 34 61.586 8.862 -2.036 1.00 0.00 C ATOM 479 C GLY A 34 62.249 7.615 -2.634 1.00 0.00 C ATOM 480 O GLY A 34 62.990 7.699 -3.593 1.00 0.00 O ATOM 0 H GLY A 34 61.453 7.807 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.811 9.227 -2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.322 9.659 -1.935 1.00 0.00 H new ATOM 484 N THR A 35 61.999 6.463 -2.078 1.00 0.00 N ATOM 485 CA THR A 35 62.630 5.223 -2.623 1.00 0.00 C ATOM 486 C THR A 35 62.175 4.974 -4.063 1.00 0.00 C ATOM 487 O THR A 35 61.183 5.514 -4.514 1.00 0.00 O ATOM 488 CB THR A 35 62.146 4.100 -1.711 1.00 0.00 C ATOM 489 OG1 THR A 35 62.402 4.447 -0.356 1.00 0.00 O ATOM 490 CG2 THR A 35 62.885 2.811 -2.060 1.00 0.00 C ATOM 0 H THR A 35 61.388 6.324 -1.273 1.00 0.00 H new ATOM 0 HA THR A 35 63.717 5.295 -2.646 1.00 0.00 H new ATOM 0 HB THR A 35 61.075 3.952 -1.849 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.108 5.125 -0.320 1.00 0.00 H new ATOM 0 HG21 THR A 35 62.541 2.007 -1.410 1.00 0.00 H new ATOM 0 HG22 THR A 35 62.686 2.548 -3.099 1.00 0.00 H new ATOM 0 HG23 THR A 35 63.956 2.957 -1.921 1.00 0.00 H new ATOM 498 N THR A 36 62.893 4.157 -4.787 1.00 0.00 N ATOM 499 CA THR A 36 62.503 3.869 -6.196 1.00 0.00 C ATOM 500 C THR A 36 61.994 2.430 -6.322 1.00 0.00 C ATOM 501 O THR A 36 61.263 2.097 -7.232 1.00 0.00 O ATOM 502 CB THR A 36 63.782 4.063 -7.013 1.00 0.00 C ATOM 503 OG1 THR A 36 64.372 5.310 -6.673 1.00 0.00 O ATOM 504 CG2 THR A 36 63.439 4.049 -8.504 1.00 0.00 C ATOM 0 H THR A 36 63.733 3.677 -4.463 1.00 0.00 H new ATOM 0 HA THR A 36 61.700 4.519 -6.542 1.00 0.00 H new ATOM 0 HB THR A 36 64.483 3.257 -6.794 1.00 0.00 H new ATOM 0 HG1 THR A 36 65.193 5.436 -7.194 1.00 0.00 H new ATOM 0 HG21 THR A 36 64.349 4.187 -9.088 1.00 0.00 H new ATOM 0 HG22 THR A 36 62.983 3.094 -8.763 1.00 0.00 H new ATOM 0 HG23 THR A 36 62.741 4.856 -8.724 1.00 0.00 H new ATOM 512 N CYS A 37 62.374 1.575 -5.411 1.00 0.00 N ATOM 513 CA CYS A 37 61.912 0.156 -5.473 1.00 0.00 C ATOM 514 C CYS A 37 61.968 -0.362 -6.914 1.00 0.00 C ATOM 515 O CYS A 37 60.971 -0.409 -7.608 1.00 0.00 O ATOM 516 CB CYS A 37 60.466 0.189 -4.965 1.00 0.00 C ATOM 517 SG CYS A 37 59.614 -1.346 -5.426 1.00 0.00 S ATOM 0 H CYS A 37 62.985 1.797 -4.625 1.00 0.00 H new ATOM 0 HA CYS A 37 62.538 -0.508 -4.878 1.00 0.00 H new ATOM 0 HB2 CYS A 37 60.455 0.310 -3.882 1.00 0.00 H new ATOM 0 HB3 CYS A 37 59.942 1.047 -5.387 1.00 0.00 H new ATOM 522 N THR A 38 63.121 -0.764 -7.367 1.00 0.00 N ATOM 523 CA THR A 38 63.224 -1.293 -8.755 1.00 0.00 C ATOM 524 C THR A 38 62.677 -2.721 -8.797 1.00 0.00 C ATOM 525 O THR A 38 63.362 -3.649 -9.178 1.00 0.00 O ATOM 526 CB THR A 38 64.717 -1.276 -9.078 1.00 0.00 C ATOM 527 OG1 THR A 38 65.208 0.052 -8.966 1.00 0.00 O ATOM 528 CG2 THR A 38 64.939 -1.784 -10.502 1.00 0.00 C ATOM 0 H THR A 38 63.994 -0.750 -6.839 1.00 0.00 H new ATOM 0 HA THR A 38 62.653 -0.705 -9.474 1.00 0.00 H new ATOM 0 HB THR A 38 65.248 -1.921 -8.378 1.00 0.00 H new ATOM 0 HG1 THR A 38 66.111 0.036 -8.585 1.00 0.00 H new ATOM 0 HG21 THR A 38 66.005 -1.771 -10.731 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.562 -2.803 -10.588 1.00 0.00 H new ATOM 0 HG23 THR A 38 64.409 -1.141 -11.205 1.00 0.00 H new ATOM 536 N GLY A 39 61.447 -2.903 -8.396 1.00 0.00 N ATOM 537 CA GLY A 39 60.852 -4.269 -8.397 1.00 0.00 C ATOM 538 C GLY A 39 61.177 -4.963 -7.071 1.00 0.00 C ATOM 539 O GLY A 39 62.015 -5.841 -7.006 1.00 0.00 O ATOM 0 H GLY A 39 60.828 -2.162 -8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 39 59.772 -4.208 -8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 39 61.247 -4.850 -9.231 1.00 0.00 H new ATOM 543 N SER A 40 60.524 -4.569 -6.010 1.00 0.00 N ATOM 544 CA SER A 40 60.795 -5.198 -4.682 1.00 0.00 C ATOM 545 C SER A 40 59.589 -5.008 -3.756 1.00 0.00 C ATOM 546 O SER A 40 58.497 -4.721 -4.201 1.00 0.00 O ATOM 547 CB SER A 40 62.014 -4.455 -4.135 1.00 0.00 C ATOM 548 OG SER A 40 62.644 -3.737 -5.189 1.00 0.00 O ATOM 0 H SER A 40 59.813 -3.837 -6.005 1.00 0.00 H new ATOM 0 HA SER A 40 60.973 -6.271 -4.758 1.00 0.00 H new ATOM 0 HB2 SER A 40 61.710 -3.769 -3.344 1.00 0.00 H new ATOM 0 HB3 SER A 40 62.716 -5.162 -3.692 1.00 0.00 H new ATOM 0 HG SER A 40 63.205 -3.027 -4.812 1.00 0.00 H new ATOM 554 N ARG A 41 59.774 -5.162 -2.473 1.00 0.00 N ATOM 555 CA ARG A 41 58.627 -4.981 -1.535 1.00 0.00 C ATOM 556 C ARG A 41 59.121 -4.902 -0.085 1.00 0.00 C ATOM 557 O ARG A 41 60.228 -5.294 0.226 1.00 0.00 O ATOM 558 CB ARG A 41 57.740 -6.214 -1.749 1.00 0.00 C ATOM 559 CG ARG A 41 58.241 -7.389 -0.902 1.00 0.00 C ATOM 560 CD ARG A 41 57.754 -8.703 -1.517 1.00 0.00 C ATOM 561 NE ARG A 41 58.636 -9.752 -0.936 1.00 0.00 N ATOM 562 CZ ARG A 41 58.801 -10.885 -1.563 1.00 0.00 C ATOM 563 NH1 ARG A 41 57.869 -11.796 -1.522 1.00 0.00 N ATOM 564 NH2 ARG A 41 59.900 -11.105 -2.233 1.00 0.00 N ATOM 0 H ARG A 41 60.663 -5.404 -2.035 1.00 0.00 H new ATOM 0 HA ARG A 41 58.084 -4.055 -1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 41 56.710 -5.979 -1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.741 -6.491 -2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 41 59.330 -7.379 -0.854 1.00 0.00 H new ATOM 0 HG3 ARG A 41 57.876 -7.296 0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 41 56.708 -8.888 -1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 41 57.830 -8.682 -2.604 1.00 0.00 H new ATOM 0 HE ARG A 41 59.111 -9.586 -0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 41 57.010 -11.624 -1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 41 57.999 -12.681 -2.012 1.00 0.00 H new ATOM 0 HH21 ARG A 41 60.629 -10.392 -2.266 1.00 0.00 H new ATOM 0 HH22 ARG A 41 60.030 -11.990 -2.723 1.00 0.00 H new ATOM 578 N PHE A 42 58.304 -4.400 0.801 1.00 0.00 N ATOM 579 CA PHE A 42 58.724 -4.299 2.230 1.00 0.00 C ATOM 580 C PHE A 42 57.772 -5.099 3.118 1.00 0.00 C ATOM 581 O PHE A 42 57.034 -5.944 2.652 1.00 0.00 O ATOM 582 CB PHE A 42 58.652 -2.808 2.573 1.00 0.00 C ATOM 583 CG PHE A 42 59.194 -1.995 1.425 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.293 -2.465 0.697 1.00 0.00 C ATOM 585 CD2 PHE A 42 58.596 -0.776 1.083 1.00 0.00 C ATOM 586 CE1 PHE A 42 60.795 -1.716 -0.370 1.00 0.00 C ATOM 587 CE2 PHE A 42 59.100 -0.027 0.016 1.00 0.00 C ATOM 588 CZ PHE A 42 60.199 -0.498 -0.711 1.00 0.00 C ATOM 0 H PHE A 42 57.365 -4.056 0.599 1.00 0.00 H new ATOM 0 HA PHE A 42 59.724 -4.701 2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.621 -2.522 2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.225 -2.605 3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 42 60.753 -3.406 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 42 57.746 -0.415 1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 42 61.644 -2.078 -0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 42 58.642 0.915 -0.247 1.00 0.00 H new ATOM 0 HZ PHE A 42 60.587 0.080 -1.537 1.00 0.00 H new ATOM 598 N ASP A 43 57.784 -4.843 4.396 1.00 0.00 N ATOM 599 CA ASP A 43 56.879 -5.593 5.314 1.00 0.00 C ATOM 600 C ASP A 43 57.213 -5.263 6.767 1.00 0.00 C ATOM 601 O ASP A 43 57.450 -6.138 7.573 1.00 0.00 O ATOM 602 CB ASP A 43 57.148 -7.069 5.025 1.00 0.00 C ATOM 603 CG ASP A 43 55.841 -7.756 4.627 1.00 0.00 C ATOM 604 OD1 ASP A 43 54.883 -7.641 5.374 1.00 0.00 O ATOM 605 OD2 ASP A 43 55.819 -8.385 3.582 1.00 0.00 O ATOM 0 H ASP A 43 58.380 -4.148 4.845 1.00 0.00 H new ATOM 0 HA ASP A 43 55.831 -5.335 5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 43 57.881 -7.166 4.224 1.00 0.00 H new ATOM 0 HB3 ASP A 43 57.572 -7.552 5.906 1.00 0.00 H new ATOM 610 N GLY A 44 57.231 -4.005 7.106 1.00 0.00 N ATOM 611 CA GLY A 44 57.547 -3.622 8.507 1.00 0.00 C ATOM 612 C GLY A 44 58.829 -2.791 8.535 1.00 0.00 C ATOM 613 O GLY A 44 59.782 -3.132 9.207 1.00 0.00 O ATOM 0 H GLY A 44 57.041 -3.227 6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.722 -3.051 8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.667 -4.515 9.120 1.00 0.00 H new ATOM 617 N VAL A 45 58.869 -1.706 7.810 1.00 0.00 N ATOM 618 CA VAL A 45 60.104 -0.869 7.806 1.00 0.00 C ATOM 619 C VAL A 45 59.743 0.618 7.832 1.00 0.00 C ATOM 620 O VAL A 45 58.625 0.997 8.118 1.00 0.00 O ATOM 621 CB VAL A 45 60.845 -1.229 6.506 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.684 -2.718 6.207 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.279 -0.424 5.334 1.00 0.00 C ATOM 0 H VAL A 45 58.107 -1.364 7.225 1.00 0.00 H new ATOM 0 HA VAL A 45 60.723 -1.057 8.683 1.00 0.00 H new ATOM 0 HB VAL A 45 61.901 -0.992 6.635 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.212 -2.963 5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 45 61.099 -3.301 7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.626 -2.954 6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.812 -0.688 4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.220 -0.651 5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.402 0.641 5.531 1.00 0.00 H new ATOM 633 N THR A 46 60.690 1.457 7.526 1.00 0.00 N ATOM 634 CA THR A 46 60.428 2.922 7.517 1.00 0.00 C ATOM 635 C THR A 46 61.510 3.618 6.696 1.00 0.00 C ATOM 636 O THR A 46 62.205 4.490 7.176 1.00 0.00 O ATOM 637 CB THR A 46 60.513 3.351 8.979 1.00 0.00 C ATOM 638 OG1 THR A 46 59.545 2.640 9.737 1.00 0.00 O ATOM 639 CG2 THR A 46 60.249 4.855 9.086 1.00 0.00 C ATOM 0 H THR A 46 61.643 1.189 7.280 1.00 0.00 H new ATOM 0 HA THR A 46 59.462 3.176 7.080 1.00 0.00 H new ATOM 0 HB THR A 46 61.508 3.131 9.367 1.00 0.00 H new ATOM 0 HG1 THR A 46 58.774 2.432 9.170 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.310 5.162 10.130 1.00 0.00 H new ATOM 0 HG22 THR A 46 60.994 5.398 8.505 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.255 5.078 8.699 1.00 0.00 H new ATOM 647 N ILE A 47 61.670 3.224 5.465 1.00 0.00 N ATOM 648 CA ILE A 47 62.721 3.850 4.621 1.00 0.00 C ATOM 649 C ILE A 47 62.208 5.146 3.998 1.00 0.00 C ATOM 650 O ILE A 47 61.024 5.418 3.979 1.00 0.00 O ATOM 651 CB ILE A 47 63.014 2.819 3.534 1.00 0.00 C ATOM 652 CG1 ILE A 47 64.123 3.343 2.621 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.749 2.573 2.709 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.580 2.224 1.685 1.00 0.00 C ATOM 0 H ILE A 47 61.119 2.497 5.008 1.00 0.00 H new ATOM 0 HA ILE A 47 63.609 4.109 5.197 1.00 0.00 H new ATOM 0 HB ILE A 47 63.334 1.885 3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.761 4.192 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.963 3.699 3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 47 61.958 1.837 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 47 60.958 2.200 3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.429 3.507 2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 47 65.371 2.595 1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 47 64.958 1.388 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.738 1.889 1.079 1.00 0.00 H new ATOM 666 N THR A 48 63.096 5.941 3.480 1.00 0.00 N ATOM 667 CA THR A 48 62.677 7.218 2.843 1.00 0.00 C ATOM 668 C THR A 48 63.310 7.317 1.456 1.00 0.00 C ATOM 669 O THR A 48 63.401 6.339 0.741 1.00 0.00 O ATOM 670 CB THR A 48 63.215 8.314 3.765 1.00 0.00 C ATOM 671 OG1 THR A 48 64.629 8.200 3.858 1.00 0.00 O ATOM 672 CG2 THR A 48 62.597 8.163 5.155 1.00 0.00 C ATOM 0 H THR A 48 64.100 5.762 3.470 1.00 0.00 H new ATOM 0 HA THR A 48 61.597 7.298 2.716 1.00 0.00 H new ATOM 0 HB THR A 48 62.954 9.291 3.359 1.00 0.00 H new ATOM 0 HG1 THR A 48 64.976 8.902 4.447 1.00 0.00 H new ATOM 0 HG21 THR A 48 62.981 8.944 5.811 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.513 8.250 5.083 1.00 0.00 H new ATOM 0 HG23 THR A 48 62.856 7.186 5.564 1.00 0.00 H new ATOM 680 N THR A 49 63.762 8.476 1.070 1.00 0.00 N ATOM 681 CA THR A 49 64.400 8.596 -0.267 1.00 0.00 C ATOM 682 C THR A 49 65.475 7.516 -0.403 1.00 0.00 C ATOM 683 O THR A 49 66.305 7.354 0.466 1.00 0.00 O ATOM 684 CB THR A 49 65.024 9.991 -0.291 1.00 0.00 C ATOM 685 OG1 THR A 49 63.993 10.968 -0.266 1.00 0.00 O ATOM 686 CG2 THR A 49 65.857 10.155 -1.562 1.00 0.00 C ATOM 0 H THR A 49 63.718 9.336 1.616 1.00 0.00 H new ATOM 0 HA THR A 49 63.696 8.466 -1.089 1.00 0.00 H new ATOM 0 HB THR A 49 65.667 10.119 0.580 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.391 11.864 -0.280 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.302 11.150 -1.579 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.647 9.404 -1.579 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.217 10.029 -2.435 1.00 0.00 H new ATOM 694 N SER A 50 65.461 6.763 -1.467 1.00 0.00 N ATOM 695 CA SER A 50 66.489 5.691 -1.625 1.00 0.00 C ATOM 696 C SER A 50 66.421 5.083 -3.027 1.00 0.00 C ATOM 697 O SER A 50 65.447 5.241 -3.735 1.00 0.00 O ATOM 698 CB SER A 50 66.125 4.644 -0.574 1.00 0.00 C ATOM 699 OG SER A 50 67.012 3.540 -0.686 1.00 0.00 O ATOM 0 H SER A 50 64.789 6.840 -2.230 1.00 0.00 H new ATOM 0 HA SER A 50 67.502 6.072 -1.497 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.188 5.077 0.424 1.00 0.00 H new ATOM 0 HB3 SER A 50 65.096 4.314 -0.714 1.00 0.00 H new ATOM 0 HG SER A 50 67.918 3.866 -0.870 1.00 0.00 H new ATOM 705 N THR A 51 67.447 4.385 -3.437 1.00 0.00 N ATOM 706 CA THR A 51 67.425 3.771 -4.791 1.00 0.00 C ATOM 707 C THR A 51 67.482 2.242 -4.684 1.00 0.00 C ATOM 708 O THR A 51 67.732 1.556 -5.655 1.00 0.00 O ATOM 709 CB THR A 51 68.679 4.304 -5.480 1.00 0.00 C ATOM 710 OG1 THR A 51 68.567 5.711 -5.644 1.00 0.00 O ATOM 711 CG2 THR A 51 68.838 3.639 -6.849 1.00 0.00 C ATOM 0 H THR A 51 68.294 4.216 -2.894 1.00 0.00 H new ATOM 0 HA THR A 51 66.517 4.015 -5.342 1.00 0.00 H new ATOM 0 HB THR A 51 69.552 4.078 -4.867 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.372 6.054 -6.085 1.00 0.00 H new ATOM 0 HG21 THR A 51 69.734 4.022 -7.338 1.00 0.00 H new ATOM 0 HG22 THR A 51 68.927 2.560 -6.721 1.00 0.00 H new ATOM 0 HG23 THR A 51 67.966 3.861 -7.465 1.00 0.00 H new ATOM 719 N SER A 52 67.257 1.712 -3.508 1.00 0.00 N ATOM 720 CA SER A 52 67.297 0.228 -3.320 1.00 0.00 C ATOM 721 C SER A 52 66.735 -0.488 -4.552 1.00 0.00 C ATOM 722 O SER A 52 65.701 -0.122 -5.075 1.00 0.00 O ATOM 723 CB SER A 52 66.413 -0.032 -2.101 1.00 0.00 C ATOM 724 OG SER A 52 65.049 0.132 -2.467 1.00 0.00 O ATOM 0 H SER A 52 67.046 2.246 -2.665 1.00 0.00 H new ATOM 0 HA SER A 52 68.313 -0.142 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 52 66.582 -1.041 -1.724 1.00 0.00 H new ATOM 0 HB3 SER A 52 66.671 0.657 -1.297 1.00 0.00 H new ATOM 0 HG SER A 52 64.959 0.052 -3.440 1.00 0.00 H new ATOM 730 N THR A 53 67.411 -1.504 -5.023 1.00 0.00 N ATOM 731 CA THR A 53 66.915 -2.234 -6.225 1.00 0.00 C ATOM 732 C THR A 53 66.830 -3.735 -5.934 1.00 0.00 C ATOM 733 O THR A 53 67.833 -4.416 -5.835 1.00 0.00 O ATOM 734 CB THR A 53 67.954 -1.953 -7.314 1.00 0.00 C ATOM 735 OG1 THR A 53 67.801 -0.618 -7.777 1.00 0.00 O ATOM 736 CG2 THR A 53 67.755 -2.921 -8.480 1.00 0.00 C ATOM 0 H THR A 53 68.282 -1.858 -4.628 1.00 0.00 H new ATOM 0 HA THR A 53 65.917 -1.913 -6.523 1.00 0.00 H new ATOM 0 HB THR A 53 68.954 -2.087 -6.902 1.00 0.00 H new ATOM 0 HG1 THR A 53 67.807 -0.004 -7.013 1.00 0.00 H new ATOM 0 HG21 THR A 53 68.496 -2.717 -9.253 1.00 0.00 H new ATOM 0 HG22 THR A 53 67.871 -3.945 -8.126 1.00 0.00 H new ATOM 0 HG23 THR A 53 66.755 -2.791 -8.894 1.00 0.00 H new ATOM 744 N GLY A 54 65.641 -4.255 -5.794 1.00 0.00 N ATOM 745 CA GLY A 54 65.492 -5.711 -5.507 1.00 0.00 C ATOM 746 C GLY A 54 66.093 -6.024 -4.136 1.00 0.00 C ATOM 747 O GLY A 54 67.197 -6.521 -4.030 1.00 0.00 O ATOM 0 H GLY A 54 64.766 -3.735 -5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.439 -5.991 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.992 -6.298 -6.278 1.00 0.00 H new ATOM 751 N SER A 55 65.379 -5.735 -3.083 1.00 0.00 N ATOM 752 CA SER A 55 65.920 -6.017 -1.724 1.00 0.00 C ATOM 753 C SER A 55 64.784 -6.119 -0.702 1.00 0.00 C ATOM 754 O SER A 55 63.960 -5.234 -0.584 1.00 0.00 O ATOM 755 CB SER A 55 66.814 -4.822 -1.404 1.00 0.00 C ATOM 756 OG SER A 55 66.062 -3.624 -1.547 1.00 0.00 O ATOM 0 H SER A 55 64.449 -5.318 -3.104 1.00 0.00 H new ATOM 0 HA SER A 55 66.462 -6.962 -1.687 1.00 0.00 H new ATOM 0 HB2 SER A 55 67.201 -4.904 -0.388 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.675 -4.807 -2.073 1.00 0.00 H new ATOM 0 HG SER A 55 65.110 -3.817 -1.414 1.00 0.00 H new ATOM 762 N ARG A 56 64.745 -7.186 0.046 1.00 0.00 N ATOM 763 CA ARG A 56 63.676 -7.341 1.072 1.00 0.00 C ATOM 764 C ARG A 56 64.032 -6.498 2.299 1.00 0.00 C ATOM 765 O ARG A 56 64.890 -6.858 3.079 1.00 0.00 O ATOM 766 CB ARG A 56 63.683 -8.832 1.418 1.00 0.00 C ATOM 767 CG ARG A 56 62.433 -9.184 2.225 1.00 0.00 C ATOM 768 CD ARG A 56 61.716 -10.366 1.566 1.00 0.00 C ATOM 769 NE ARG A 56 61.322 -11.256 2.694 1.00 0.00 N ATOM 770 CZ ARG A 56 61.739 -12.493 2.727 1.00 0.00 C ATOM 771 NH1 ARG A 56 61.450 -13.307 1.749 1.00 0.00 N ATOM 772 NH2 ARG A 56 62.443 -12.917 3.741 1.00 0.00 N ATOM 0 H ARG A 56 65.408 -7.959 -0.009 1.00 0.00 H new ATOM 0 HA ARG A 56 62.696 -7.013 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 56 63.716 -9.426 0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 56 64.577 -9.077 1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 56 62.708 -9.437 3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 56 61.766 -8.323 2.277 1.00 0.00 H new ATOM 0 HD2 ARG A 56 60.844 -10.034 1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 56 62.371 -10.884 0.865 1.00 0.00 H new ATOM 0 HE ARG A 56 60.726 -10.899 3.441 1.00 0.00 H new ATOM 0 HH11 ARG A 56 60.898 -12.977 0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 56 61.776 -14.273 1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 56 62.667 -12.282 4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 56 62.769 -13.883 3.767 1.00 0.00 H new ATOM 786 N ILE A 57 63.397 -5.369 2.472 1.00 0.00 N ATOM 787 CA ILE A 57 63.730 -4.511 3.641 1.00 0.00 C ATOM 788 C ILE A 57 62.867 -4.886 4.850 1.00 0.00 C ATOM 789 O ILE A 57 62.769 -4.144 5.807 1.00 0.00 O ATOM 790 CB ILE A 57 63.438 -3.083 3.178 1.00 0.00 C ATOM 791 CG1 ILE A 57 64.362 -2.733 2.008 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.700 -2.118 4.333 1.00 0.00 C ATOM 793 CD1 ILE A 57 63.553 -2.693 0.711 1.00 0.00 C ATOM 0 H ILE A 57 62.667 -5.008 1.858 1.00 0.00 H new ATOM 0 HA ILE A 57 64.766 -4.630 3.958 1.00 0.00 H new ATOM 0 HB ILE A 57 62.398 -3.004 2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 57 64.837 -1.767 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 57 65.160 -3.471 1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.494 -1.098 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.052 -2.370 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.742 -2.196 4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 57 64.212 -2.444 -0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 57 63.099 -3.668 0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 57 62.771 -1.938 0.793 1.00 0.00 H new ATOM 805 N SER A 58 62.252 -6.037 4.821 1.00 0.00 N ATOM 806 CA SER A 58 61.403 -6.461 5.975 1.00 0.00 C ATOM 807 C SER A 58 62.188 -6.336 7.286 1.00 0.00 C ATOM 808 O SER A 58 63.403 -6.304 7.289 1.00 0.00 O ATOM 809 CB SER A 58 61.069 -7.926 5.699 1.00 0.00 C ATOM 810 OG SER A 58 59.811 -8.009 5.041 1.00 0.00 O ATOM 0 H SER A 58 62.300 -6.703 4.050 1.00 0.00 H new ATOM 0 HA SER A 58 60.509 -5.845 6.077 1.00 0.00 H new ATOM 0 HB2 SER A 58 61.845 -8.377 5.081 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.040 -8.486 6.634 1.00 0.00 H new ATOM 0 HG SER A 58 59.597 -8.948 4.862 1.00 0.00 H new ATOM 816 N GLY A 59 61.506 -6.271 8.398 1.00 0.00 N ATOM 817 CA GLY A 59 62.222 -6.155 9.702 1.00 0.00 C ATOM 818 C GLY A 59 61.277 -5.590 10.764 1.00 0.00 C ATOM 819 O GLY A 59 60.218 -5.086 10.448 1.00 0.00 O ATOM 0 H GLY A 59 60.488 -6.293 8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 59 62.591 -7.133 10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 59 63.091 -5.506 9.594 1.00 0.00 H new ATOM 823 N PRO A 60 61.700 -5.693 11.996 1.00 0.00 N ATOM 824 CA PRO A 60 60.887 -5.183 13.125 1.00 0.00 C ATOM 825 C PRO A 60 60.977 -3.659 13.183 1.00 0.00 C ATOM 826 O PRO A 60 61.325 -3.084 14.195 1.00 0.00 O ATOM 827 CB PRO A 60 61.541 -5.814 14.350 1.00 0.00 C ATOM 828 CG PRO A 60 62.955 -6.088 13.942 1.00 0.00 C ATOM 829 CD PRO A 60 62.964 -6.286 12.446 1.00 0.00 C ATOM 0 HA PRO A 60 59.828 -5.428 13.044 1.00 0.00 H new ATOM 0 HB2 PRO A 60 61.502 -5.142 15.207 1.00 0.00 H new ATOM 0 HB3 PRO A 60 61.030 -6.732 14.640 1.00 0.00 H new ATOM 0 HG2 PRO A 60 63.603 -5.258 14.223 1.00 0.00 H new ATOM 0 HG3 PRO A 60 63.335 -6.975 14.449 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.821 -5.795 11.985 1.00 0.00 H new ATOM 0 HD3 PRO A 60 63.023 -7.343 12.185 1.00 0.00 H new ATOM 837 N GLY A 61 60.679 -3.001 12.098 1.00 0.00 N ATOM 838 CA GLY A 61 60.761 -1.516 12.080 1.00 0.00 C ATOM 839 C GLY A 61 61.974 -1.102 11.249 1.00 0.00 C ATOM 840 O GLY A 61 62.505 -0.020 11.400 1.00 0.00 O ATOM 0 H GLY A 61 60.382 -3.429 11.221 1.00 0.00 H new ATOM 0 HA2 GLY A 61 59.850 -1.092 11.656 1.00 0.00 H new ATOM 0 HA3 GLY A 61 60.849 -1.130 13.096 1.00 0.00 H new ATOM 844 N CYS A 62 62.418 -1.966 10.376 1.00 0.00 N ATOM 845 CA CYS A 62 63.602 -1.643 9.530 1.00 0.00 C ATOM 846 C CYS A 62 63.541 -0.187 9.061 1.00 0.00 C ATOM 847 O CYS A 62 62.799 0.157 8.163 1.00 0.00 O ATOM 848 CB CYS A 62 63.511 -2.597 8.340 1.00 0.00 C ATOM 849 SG CYS A 62 65.147 -2.797 7.585 1.00 0.00 S ATOM 0 H CYS A 62 62.009 -2.886 10.212 1.00 0.00 H new ATOM 0 HA CYS A 62 64.540 -1.758 10.073 1.00 0.00 H new ATOM 0 HB2 CYS A 62 63.131 -3.565 8.667 1.00 0.00 H new ATOM 0 HB3 CYS A 62 62.806 -2.209 7.605 1.00 0.00 H new ATOM 854 N LYS A 63 64.323 0.664 9.664 1.00 0.00 N ATOM 855 CA LYS A 63 64.326 2.099 9.260 1.00 0.00 C ATOM 856 C LYS A 63 65.480 2.360 8.291 1.00 0.00 C ATOM 857 O LYS A 63 66.529 1.760 8.395 1.00 0.00 O ATOM 858 CB LYS A 63 64.540 2.867 10.563 1.00 0.00 C ATOM 859 CG LYS A 63 64.860 4.331 10.258 1.00 0.00 C ATOM 860 CD LYS A 63 65.436 4.995 11.510 1.00 0.00 C ATOM 861 CE LYS A 63 64.875 6.411 11.642 1.00 0.00 C ATOM 862 NZ LYS A 63 65.896 7.159 12.427 1.00 0.00 N ATOM 0 H LYS A 63 64.963 0.427 10.422 1.00 0.00 H new ATOM 0 HA LYS A 63 63.407 2.397 8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 63 63.647 2.803 11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.355 2.418 11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 63 65.574 4.396 9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 63 63.958 4.853 9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 63 65.184 4.409 12.394 1.00 0.00 H new ATOM 0 HD3 LYS A 63 66.524 5.028 11.449 1.00 0.00 H new ATOM 0 HE2 LYS A 63 64.718 6.866 10.664 1.00 0.00 H new ATOM 0 HE3 LYS A 63 63.911 6.408 12.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 65.581 8.141 12.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 66.019 6.707 13.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 66.801 7.151 11.915 1.00 0.00 H new ATOM 876 N ILE A 64 65.301 3.245 7.348 1.00 0.00 N ATOM 877 CA ILE A 64 66.405 3.523 6.387 1.00 0.00 C ATOM 878 C ILE A 64 66.279 4.933 5.809 1.00 0.00 C ATOM 879 O ILE A 64 65.191 5.424 5.576 1.00 0.00 O ATOM 880 CB ILE A 64 66.246 2.474 5.289 1.00 0.00 C ATOM 881 CG1 ILE A 64 66.511 1.084 5.876 1.00 0.00 C ATOM 882 CG2 ILE A 64 67.244 2.753 4.162 1.00 0.00 C ATOM 883 CD1 ILE A 64 66.574 0.049 4.753 1.00 0.00 C ATOM 0 H ILE A 64 64.447 3.783 7.202 1.00 0.00 H new ATOM 0 HA ILE A 64 67.384 3.472 6.864 1.00 0.00 H new ATOM 0 HB ILE A 64 65.233 2.516 4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 64 67.448 1.087 6.432 1.00 0.00 H new ATOM 0 HG13 ILE A 64 65.723 0.821 6.581 1.00 0.00 H new ATOM 0 HG21 ILE A 64 67.128 2.003 3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.056 3.743 3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 64 68.259 2.712 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 64 66.763 -0.937 5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 64 65.626 0.037 4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 64 67.378 0.308 4.064 1.00 0.00 H new ATOM 895 N SER A 65 67.385 5.591 5.576 1.00 0.00 N ATOM 896 CA SER A 65 67.320 6.972 5.013 1.00 0.00 C ATOM 897 C SER A 65 68.361 7.153 3.905 1.00 0.00 C ATOM 898 O SER A 65 69.546 7.243 4.159 1.00 0.00 O ATOM 899 CB SER A 65 67.626 7.906 6.184 1.00 0.00 C ATOM 900 OG SER A 65 67.851 7.138 7.360 1.00 0.00 O ATOM 0 H SER A 65 68.325 5.234 5.750 1.00 0.00 H new ATOM 0 HA SER A 65 66.346 7.179 4.570 1.00 0.00 H new ATOM 0 HB2 SER A 65 68.504 8.512 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 65 66.795 8.594 6.340 1.00 0.00 H new ATOM 0 HG SER A 65 68.049 7.738 8.109 1.00 0.00 H new ATOM 906 N THR A 66 67.922 7.220 2.677 1.00 0.00 N ATOM 907 CA THR A 66 68.872 7.411 1.544 1.00 0.00 C ATOM 908 C THR A 66 69.919 6.298 1.498 1.00 0.00 C ATOM 909 O THR A 66 71.050 6.479 1.905 1.00 0.00 O ATOM 910 CB THR A 66 69.539 8.762 1.800 1.00 0.00 C ATOM 911 OG1 THR A 66 68.555 9.708 2.193 1.00 0.00 O ATOM 912 CG2 THR A 66 70.227 9.238 0.519 1.00 0.00 C ATOM 0 H THR A 66 66.940 7.150 2.409 1.00 0.00 H new ATOM 0 HA THR A 66 68.355 7.381 0.585 1.00 0.00 H new ATOM 0 HB THR A 66 70.279 8.661 2.593 1.00 0.00 H new ATOM 0 HG1 THR A 66 68.982 10.574 2.359 1.00 0.00 H new ATOM 0 HG21 THR A 66 70.704 10.202 0.699 1.00 0.00 H new ATOM 0 HG22 THR A 66 70.981 8.510 0.219 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.487 9.342 -0.275 1.00 0.00 H new ATOM 920 N CYS A 67 69.564 5.157 0.972 1.00 0.00 N ATOM 921 CA CYS A 67 70.560 4.052 0.866 1.00 0.00 C ATOM 922 C CYS A 67 70.471 3.402 -0.506 1.00 0.00 C ATOM 923 O CYS A 67 69.465 2.827 -0.871 1.00 0.00 O ATOM 924 CB CYS A 67 70.220 3.027 1.952 1.00 0.00 C ATOM 925 SG CYS A 67 71.756 2.285 2.553 1.00 0.00 S ATOM 0 H CYS A 67 68.634 4.943 0.613 1.00 0.00 H new ATOM 0 HA CYS A 67 71.573 4.432 0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 67 69.687 3.508 2.772 1.00 0.00 H new ATOM 0 HB3 CYS A 67 69.560 2.257 1.551 1.00 0.00 H new ATOM 930 N ILE A 68 71.521 3.475 -1.263 1.00 0.00 N ATOM 931 CA ILE A 68 71.505 2.841 -2.599 1.00 0.00 C ATOM 932 C ILE A 68 71.666 1.339 -2.418 1.00 0.00 C ATOM 933 O ILE A 68 72.743 0.848 -2.168 1.00 0.00 O ATOM 934 CB ILE A 68 72.702 3.422 -3.333 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.446 4.916 -3.602 1.00 0.00 C ATOM 936 CG2 ILE A 68 72.913 2.640 -4.637 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.123 5.145 -5.072 1.00 0.00 C ATOM 0 H ILE A 68 72.390 3.947 -1.014 1.00 0.00 H new ATOM 0 HA ILE A 68 70.582 3.021 -3.150 1.00 0.00 H new ATOM 0 HB ILE A 68 73.608 3.335 -2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 68 71.620 5.267 -2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 68 73.324 5.498 -3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 68 73.770 3.049 -5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 68 73.096 1.591 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.023 2.724 -5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 68 71.945 6.206 -5.244 1.00 0.00 H new ATOM 0 HD12 ILE A 68 72.961 4.814 -5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 68 71.231 4.579 -5.341 1.00 0.00 H new ATOM 949 N ILE A 69 70.607 0.604 -2.511 1.00 0.00 N ATOM 950 CA ILE A 69 70.726 -0.861 -2.314 1.00 0.00 C ATOM 951 C ILE A 69 70.385 -1.592 -3.613 1.00 0.00 C ATOM 952 O ILE A 69 69.695 -1.070 -4.465 1.00 0.00 O ATOM 953 CB ILE A 69 69.731 -1.185 -1.194 1.00 0.00 C ATOM 954 CG1 ILE A 69 69.879 -0.148 -0.069 1.00 0.00 C ATOM 955 CG2 ILE A 69 70.023 -2.580 -0.638 1.00 0.00 C ATOM 956 CD1 ILE A 69 68.735 -0.304 0.929 1.00 0.00 C ATOM 0 H ILE A 69 69.668 0.947 -2.713 1.00 0.00 H new ATOM 0 HA ILE A 69 71.735 -1.177 -2.047 1.00 0.00 H new ATOM 0 HB ILE A 69 68.716 -1.157 -1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 69 70.836 -0.280 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 69 69.875 0.859 -0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.315 -2.810 0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 69 69.925 -3.317 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 69 71.038 -2.608 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 69 68.843 0.433 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 69 67.784 -0.150 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 69 68.759 -1.306 1.357 1.00 0.00 H new ATOM 968 N THR A 70 70.880 -2.788 -3.782 1.00 0.00 N ATOM 969 CA THR A 70 70.594 -3.542 -5.038 1.00 0.00 C ATOM 970 C THR A 70 70.830 -5.037 -4.828 1.00 0.00 C ATOM 971 O THR A 70 71.953 -5.499 -4.810 1.00 0.00 O ATOM 972 CB THR A 70 71.585 -2.997 -6.065 1.00 0.00 C ATOM 973 OG1 THR A 70 71.341 -1.614 -6.278 1.00 0.00 O ATOM 974 CG2 THR A 70 71.419 -3.756 -7.381 1.00 0.00 C ATOM 0 H THR A 70 71.469 -3.276 -3.107 1.00 0.00 H new ATOM 0 HA THR A 70 69.559 -3.421 -5.357 1.00 0.00 H new ATOM 0 HB THR A 70 72.602 -3.129 -5.694 1.00 0.00 H new ATOM 0 HG1 THR A 70 70.495 -1.362 -5.852 1.00 0.00 H new ATOM 0 HG21 THR A 70 72.125 -3.369 -8.116 1.00 0.00 H new ATOM 0 HG22 THR A 70 71.611 -4.816 -7.216 1.00 0.00 H new ATOM 0 HG23 THR A 70 70.402 -3.625 -7.751 1.00 0.00 H new ATOM 982 N GLY A 71 69.789 -5.801 -4.673 1.00 0.00 N ATOM 983 CA GLY A 71 69.976 -7.262 -4.467 1.00 0.00 C ATOM 984 C GLY A 71 70.125 -7.545 -2.974 1.00 0.00 C ATOM 985 O GLY A 71 70.734 -8.516 -2.574 1.00 0.00 O ATOM 0 H GLY A 71 68.821 -5.480 -4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.124 -7.810 -4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 71 70.859 -7.607 -5.004 1.00 0.00 H new ATOM 989 N GLY A 72 69.578 -6.697 -2.149 1.00 0.00 N ATOM 990 CA GLY A 72 69.691 -6.909 -0.682 1.00 0.00 C ATOM 991 C GLY A 72 71.042 -6.382 -0.197 1.00 0.00 C ATOM 992 O GLY A 72 71.505 -6.720 0.875 1.00 0.00 O ATOM 0 H GLY A 72 69.057 -5.866 -2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 72 68.881 -6.395 -0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.596 -7.969 -0.448 1.00 0.00 H new ATOM 996 N VAL A 73 71.683 -5.565 -0.987 1.00 0.00 N ATOM 997 CA VAL A 73 73.015 -5.022 -0.585 1.00 0.00 C ATOM 998 C VAL A 73 73.035 -3.494 -0.689 1.00 0.00 C ATOM 999 O VAL A 73 72.618 -2.940 -1.683 1.00 0.00 O ATOM 1000 CB VAL A 73 73.978 -5.613 -1.603 1.00 0.00 C ATOM 1001 CG1 VAL A 73 73.806 -7.131 -1.651 1.00 0.00 C ATOM 1002 CG2 VAL A 73 73.658 -5.014 -2.974 1.00 0.00 C ATOM 0 H VAL A 73 71.343 -5.249 -1.895 1.00 0.00 H new ATOM 0 HA VAL A 73 73.266 -5.273 0.445 1.00 0.00 H new ATOM 0 HB VAL A 73 75.007 -5.383 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.497 -7.553 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 73 74.016 -7.552 -0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 73 72.783 -7.372 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.339 -5.426 -3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 73 72.631 -5.258 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 73 73.776 -3.931 -2.934 1.00 0.00 H new ATOM 1012 N PRO A 74 73.533 -2.866 0.344 1.00 0.00 N ATOM 1013 CA PRO A 74 73.623 -1.386 0.365 1.00 0.00 C ATOM 1014 C PRO A 74 74.863 -0.908 -0.403 1.00 0.00 C ATOM 1015 O PRO A 74 75.892 -1.553 -0.400 1.00 0.00 O ATOM 1016 CB PRO A 74 73.776 -1.064 1.848 1.00 0.00 C ATOM 1017 CG PRO A 74 74.384 -2.291 2.461 1.00 0.00 C ATOM 1018 CD PRO A 74 74.045 -3.468 1.578 1.00 0.00 C ATOM 0 HA PRO A 74 72.763 -0.903 -0.100 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.414 -0.193 1.997 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.812 -0.835 2.302 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.465 -2.178 2.548 1.00 0.00 H new ATOM 0 HG3 PRO A 74 73.997 -2.446 3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 74 74.923 -4.085 1.384 1.00 0.00 H new ATOM 0 HD3 PRO A 74 73.300 -4.112 2.044 1.00 0.00 H new ATOM 1026 N ALA A 75 74.781 0.231 -1.038 1.00 0.00 N ATOM 1027 CA ALA A 75 75.966 0.763 -1.781 1.00 0.00 C ATOM 1028 C ALA A 75 76.999 1.270 -0.752 1.00 0.00 C ATOM 1029 O ALA A 75 77.009 0.790 0.364 1.00 0.00 O ATOM 1030 CB ALA A 75 75.397 1.894 -2.643 1.00 0.00 C ATOM 0 H ALA A 75 73.947 0.817 -1.076 1.00 0.00 H new ATOM 0 HA ALA A 75 76.477 0.027 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 75 76.199 2.346 -3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.640 1.492 -3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.946 2.650 -2.000 1.00 0.00 H new ATOM 1036 N PRO A 76 77.838 2.221 -1.121 1.00 0.00 N ATOM 1037 CA PRO A 76 78.837 2.733 -0.149 1.00 0.00 C ATOM 1038 C PRO A 76 78.177 3.662 0.882 1.00 0.00 C ATOM 1039 O PRO A 76 78.845 4.305 1.668 1.00 0.00 O ATOM 1040 CB PRO A 76 79.842 3.484 -1.014 1.00 0.00 C ATOM 1041 CG PRO A 76 79.092 3.873 -2.248 1.00 0.00 C ATOM 1042 CD PRO A 76 77.953 2.896 -2.424 1.00 0.00 C ATOM 0 HA PRO A 76 79.304 1.939 0.433 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.228 4.362 -0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.699 2.855 -1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 76 78.712 4.891 -2.159 1.00 0.00 H new ATOM 0 HG3 PRO A 76 79.750 3.853 -3.117 1.00 0.00 H new ATOM 0 HD2 PRO A 76 77.028 3.409 -2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.161 2.184 -3.222 1.00 0.00 H new ATOM 1050 N SER A 77 76.871 3.721 0.894 1.00 0.00 N ATOM 1051 CA SER A 77 76.157 4.583 1.881 1.00 0.00 C ATOM 1052 C SER A 77 76.802 5.967 1.985 1.00 0.00 C ATOM 1053 O SER A 77 77.078 6.450 3.066 1.00 0.00 O ATOM 1054 CB SER A 77 76.272 3.838 3.212 1.00 0.00 C ATOM 1055 OG SER A 77 77.595 3.340 3.364 1.00 0.00 O ATOM 0 H SER A 77 76.264 3.205 0.257 1.00 0.00 H new ATOM 0 HA SER A 77 75.121 4.753 1.587 1.00 0.00 H new ATOM 0 HB2 SER A 77 76.027 4.506 4.037 1.00 0.00 H new ATOM 0 HB3 SER A 77 75.557 3.016 3.244 1.00 0.00 H new ATOM 0 HG SER A 77 78.238 4.047 3.146 1.00 0.00 H new ATOM 1061 N ALA A 78 77.030 6.620 0.879 1.00 0.00 N ATOM 1062 CA ALA A 78 77.637 7.979 0.944 1.00 0.00 C ATOM 1063 C ALA A 78 76.841 8.838 1.930 1.00 0.00 C ATOM 1064 O ALA A 78 77.337 9.796 2.486 1.00 0.00 O ATOM 1065 CB ALA A 78 77.524 8.535 -0.477 1.00 0.00 C ATOM 0 H ALA A 78 76.825 6.275 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 78 78.673 7.966 1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 78 77.951 9.537 -0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 78 78.065 7.886 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 78 76.475 8.578 -0.768 1.00 0.00 H new ATOM 1071 N ALA A 79 75.604 8.483 2.149 1.00 0.00 N ATOM 1072 CA ALA A 79 74.746 9.245 3.098 1.00 0.00 C ATOM 1073 C ALA A 79 73.597 8.347 3.560 1.00 0.00 C ATOM 1074 O ALA A 79 72.462 8.768 3.658 1.00 0.00 O ATOM 1075 CB ALA A 79 74.212 10.426 2.287 1.00 0.00 C ATOM 0 H ALA A 79 75.147 7.687 1.704 1.00 0.00 H new ATOM 0 HA ALA A 79 75.283 9.579 3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 79 73.568 11.039 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.047 11.028 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 79 73.640 10.055 1.437 1.00 0.00 H new ATOM 1081 N CYS A 80 73.887 7.101 3.819 1.00 0.00 N ATOM 1082 CA CYS A 80 72.822 6.154 4.246 1.00 0.00 C ATOM 1083 C CYS A 80 72.983 5.777 5.720 1.00 0.00 C ATOM 1084 O CYS A 80 74.021 5.966 6.321 1.00 0.00 O ATOM 1085 CB CYS A 80 73.029 4.924 3.348 1.00 0.00 C ATOM 1086 SG CYS A 80 72.287 3.452 4.109 1.00 0.00 S ATOM 0 H CYS A 80 74.822 6.698 3.752 1.00 0.00 H new ATOM 0 HA CYS A 80 71.824 6.582 4.150 1.00 0.00 H new ATOM 0 HB2 CYS A 80 72.581 5.100 2.370 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.094 4.759 3.186 1.00 0.00 H new ATOM 1091 N LYS A 81 71.954 5.212 6.285 1.00 0.00 N ATOM 1092 CA LYS A 81 72.016 4.773 7.701 1.00 0.00 C ATOM 1093 C LYS A 81 72.364 3.290 7.733 1.00 0.00 C ATOM 1094 O LYS A 81 72.412 2.641 6.713 1.00 0.00 O ATOM 1095 CB LYS A 81 70.608 4.996 8.259 1.00 0.00 C ATOM 1096 CG LYS A 81 69.616 4.099 7.512 1.00 0.00 C ATOM 1097 CD LYS A 81 69.434 2.776 8.265 1.00 0.00 C ATOM 1098 CE LYS A 81 69.864 1.585 7.390 1.00 0.00 C ATOM 1099 NZ LYS A 81 69.452 1.913 5.996 1.00 0.00 N ATOM 0 H LYS A 81 71.064 5.035 5.819 1.00 0.00 H new ATOM 0 HA LYS A 81 72.763 5.315 8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 81 70.588 4.770 9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 81 70.323 6.042 8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 81 68.656 4.606 7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 81 69.978 3.905 6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 81 70.023 2.790 9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 81 68.391 2.660 8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 81 70.941 1.429 7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 81 69.389 0.664 7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 69.016 1.077 5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 68.765 2.694 6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 70.287 2.198 5.445 1.00 0.00 H new ATOM 1113 N ILE A 82 72.586 2.753 8.892 1.00 0.00 N ATOM 1114 CA ILE A 82 72.915 1.301 9.003 1.00 0.00 C ATOM 1115 C ILE A 82 72.639 0.836 10.436 1.00 0.00 C ATOM 1116 O ILE A 82 73.490 0.278 11.099 1.00 0.00 O ATOM 1117 CB ILE A 82 74.409 1.184 8.663 1.00 0.00 C ATOM 1118 CG1 ILE A 82 74.650 1.436 7.160 1.00 0.00 C ATOM 1119 CG2 ILE A 82 74.907 -0.216 9.021 1.00 0.00 C ATOM 1120 CD1 ILE A 82 73.780 0.498 6.303 1.00 0.00 C ATOM 0 H ILE A 82 72.555 3.257 9.779 1.00 0.00 H new ATOM 0 HA ILE A 82 72.318 0.681 8.334 1.00 0.00 H new ATOM 0 HB ILE A 82 74.952 1.934 9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 82 74.420 2.474 6.919 1.00 0.00 H new ATOM 0 HG13 ILE A 82 75.703 1.280 6.924 1.00 0.00 H new ATOM 0 HG21 ILE A 82 75.967 -0.298 8.779 1.00 0.00 H new ATOM 0 HG22 ILE A 82 74.763 -0.392 10.087 1.00 0.00 H new ATOM 0 HG23 ILE A 82 74.347 -0.958 8.452 1.00 0.00 H new ATOM 0 HD11 ILE A 82 73.966 0.693 5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 82 74.030 -0.538 6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 82 72.727 0.674 6.525 1.00 0.00 H new ATOM 1132 N SER A 83 71.449 1.077 10.919 1.00 0.00 N ATOM 1133 CA SER A 83 71.106 0.668 12.309 1.00 0.00 C ATOM 1134 C SER A 83 70.348 -0.667 12.302 1.00 0.00 C ATOM 1135 O SER A 83 70.810 -1.646 11.749 1.00 0.00 O ATOM 1136 CB SER A 83 70.227 1.800 12.837 1.00 0.00 C ATOM 1137 OG SER A 83 70.010 1.614 14.228 1.00 0.00 O ATOM 0 H SER A 83 70.698 1.541 10.408 1.00 0.00 H new ATOM 0 HA SER A 83 71.987 0.514 12.931 1.00 0.00 H new ATOM 0 HB2 SER A 83 70.706 2.762 12.657 1.00 0.00 H new ATOM 0 HB3 SER A 83 69.275 1.814 12.307 1.00 0.00 H new ATOM 0 HG SER A 83 69.448 2.339 14.571 1.00 0.00 H new ATOM 1143 N GLY A 84 69.193 -0.720 12.913 1.00 0.00 N ATOM 1144 CA GLY A 84 68.422 -1.995 12.942 1.00 0.00 C ATOM 1145 C GLY A 84 67.709 -2.206 11.605 1.00 0.00 C ATOM 1146 O GLY A 84 66.592 -1.768 11.408 1.00 0.00 O ATOM 0 H GLY A 84 68.752 0.065 13.392 1.00 0.00 H new ATOM 0 HA2 GLY A 84 69.093 -2.831 13.142 1.00 0.00 H new ATOM 0 HA3 GLY A 84 67.693 -1.971 13.752 1.00 0.00 H new ATOM 1150 N CYS A 85 68.342 -2.884 10.687 1.00 0.00 N ATOM 1151 CA CYS A 85 67.697 -3.136 9.367 1.00 0.00 C ATOM 1152 C CYS A 85 68.418 -4.276 8.645 1.00 0.00 C ATOM 1153 O CYS A 85 69.399 -4.806 9.126 1.00 0.00 O ATOM 1154 CB CYS A 85 67.840 -1.830 8.583 1.00 0.00 C ATOM 1155 SG CYS A 85 66.199 -1.179 8.183 1.00 0.00 S ATOM 0 H CYS A 85 69.278 -3.274 10.794 1.00 0.00 H new ATOM 0 HA CYS A 85 66.652 -3.427 9.471 1.00 0.00 H new ATOM 0 HB2 CYS A 85 68.398 -1.101 9.170 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.406 -2.003 7.668 1.00 0.00 H new ATOM 1160 N THR A 86 67.941 -4.652 7.493 1.00 0.00 N ATOM 1161 CA THR A 86 68.599 -5.754 6.738 1.00 0.00 C ATOM 1162 C THR A 86 67.896 -5.963 5.400 1.00 0.00 C ATOM 1163 O THR A 86 66.708 -5.745 5.269 1.00 0.00 O ATOM 1164 CB THR A 86 68.449 -6.997 7.615 1.00 0.00 C ATOM 1165 OG1 THR A 86 68.663 -8.157 6.823 1.00 0.00 O ATOM 1166 CG2 THR A 86 67.041 -7.045 8.215 1.00 0.00 C ATOM 0 H THR A 86 67.123 -4.244 7.041 1.00 0.00 H new ATOM 0 HA THR A 86 69.645 -5.534 6.525 1.00 0.00 H new ATOM 0 HB THR A 86 69.181 -6.959 8.422 1.00 0.00 H new ATOM 0 HG1 THR A 86 68.569 -8.957 7.382 1.00 0.00 H new ATOM 0 HG21 THR A 86 66.941 -7.933 8.839 1.00 0.00 H new ATOM 0 HG22 THR A 86 66.873 -6.155 8.822 1.00 0.00 H new ATOM 0 HG23 THR A 86 66.304 -7.081 7.412 1.00 0.00 H new ATOM 1174 N PHE A 87 68.618 -6.393 4.407 1.00 0.00 N ATOM 1175 CA PHE A 87 67.984 -6.624 3.078 1.00 0.00 C ATOM 1176 C PHE A 87 68.091 -8.109 2.723 1.00 0.00 C ATOM 1177 O PHE A 87 68.828 -8.852 3.342 1.00 0.00 O ATOM 1178 CB PHE A 87 68.772 -5.780 2.065 1.00 0.00 C ATOM 1179 CG PHE A 87 69.323 -4.527 2.711 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.571 -3.834 3.671 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.591 -4.061 2.346 1.00 0.00 C ATOM 1182 CE1 PHE A 87 69.091 -2.677 4.265 1.00 0.00 C ATOM 1183 CE2 PHE A 87 71.108 -2.905 2.941 1.00 0.00 C ATOM 1184 CZ PHE A 87 70.360 -2.214 3.900 1.00 0.00 C ATOM 0 H PHE A 87 69.617 -6.595 4.455 1.00 0.00 H new ATOM 0 HA PHE A 87 66.930 -6.346 3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.590 -6.371 1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 87 68.124 -5.508 1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.592 -4.192 3.952 1.00 0.00 H new ATOM 0 HD2 PHE A 87 71.170 -4.593 1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 87 68.513 -2.143 5.004 1.00 0.00 H new ATOM 0 HE2 PHE A 87 72.087 -2.545 2.659 1.00 0.00 H new ATOM 0 HZ PHE A 87 70.762 -1.323 4.359 1.00 0.00 H new ATOM 1194 N SER A 88 67.369 -8.554 1.735 1.00 0.00 N ATOM 1195 CA SER A 88 67.445 -9.994 1.360 1.00 0.00 C ATOM 1196 C SER A 88 67.213 -10.166 -0.142 1.00 0.00 C ATOM 1197 O SER A 88 66.808 -11.216 -0.600 1.00 0.00 O ATOM 1198 CB SER A 88 66.330 -10.665 2.160 1.00 0.00 C ATOM 1199 OG SER A 88 66.788 -11.920 2.642 1.00 0.00 O ATOM 0 H SER A 88 66.733 -7.988 1.173 1.00 0.00 H new ATOM 0 HA SER A 88 68.421 -10.428 1.576 1.00 0.00 H new ATOM 0 HB2 SER A 88 66.032 -10.029 2.994 1.00 0.00 H new ATOM 0 HB3 SER A 88 65.449 -10.803 1.533 1.00 0.00 H new ATOM 0 HG SER A 88 66.075 -12.352 3.157 1.00 0.00 H new ATOM 1205 N ALA A 89 67.465 -9.143 -0.913 1.00 0.00 N ATOM 1206 CA ALA A 89 67.255 -9.255 -2.382 1.00 0.00 C ATOM 1207 C ALA A 89 65.890 -9.887 -2.661 1.00 0.00 C ATOM 1208 O ALA A 89 65.792 -10.957 -3.228 1.00 0.00 O ATOM 1209 CB ALA A 89 68.381 -10.164 -2.876 1.00 0.00 C ATOM 0 H ALA A 89 67.806 -8.238 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 89 67.270 -8.287 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 89 68.295 -10.296 -3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 89 69.344 -9.711 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 89 68.307 -11.134 -2.385 1.00 0.00 H new ATOM 1215 N ASN A 90 64.833 -9.235 -2.257 1.00 0.00 N ATOM 1216 CA ASN A 90 63.476 -9.803 -2.490 1.00 0.00 C ATOM 1217 C ASN A 90 63.201 -9.919 -3.996 1.00 0.00 C ATOM 1218 O ASN A 90 63.804 -9.172 -4.747 1.00 0.00 O ATOM 1219 CB ASN A 90 62.509 -8.821 -1.797 1.00 0.00 C ATOM 1220 CG ASN A 90 61.807 -7.924 -2.823 1.00 0.00 C ATOM 1221 OD1 ASN A 90 62.448 -7.248 -3.602 1.00 0.00 O ATOM 1222 ND2 ASN A 90 60.508 -7.898 -2.848 1.00 0.00 N ATOM 1223 OXT ASN A 90 62.391 -10.753 -4.368 1.00 0.00 O ATOM 0 H ASN A 90 64.851 -8.335 -1.777 1.00 0.00 H new ATOM 0 HA ASN A 90 63.364 -10.810 -2.089 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.766 -9.379 -1.227 1.00 0.00 H new ATOM 0 HB3 ASN A 90 63.059 -8.205 -1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 90 60.023 -7.308 -3.524 1.00 0.00 H new ATOM 0 HD22 ASN A 90 59.974 -8.468 -2.192 1.00 0.00 H new TER 1230 ASN A 90