USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 590 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 45 THR OG1 : rot -114:sc= 0.0825! USER MOD Set 1.2: A 50 HIS : no HD1:sc= -7.34! C(o=-7.3!,f=-18!) USER MOD Set 2.1: A 33 THR OG1 : rot 160:sc= 0 USER MOD Set 2.2: A 35 SER OG : rot 140:sc= 0.195 USER MOD Set 2.3: A 60 SER OG : rot 180:sc= -0.785 USER MOD Set 2.4: A 63 THR OG1 : rot -166:sc= -2.14! USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0335) USER MOD Single : A 10 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0126) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -8.02! C(o=-8!,f=-7.6!) USER MOD Single : A 22 SER OG : rot 90:sc= -2.49! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 92:sc= 1.25 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -171:sc= -3.48! (180deg=-3.97!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 5 -7.041 -27.583 -17.456 1.00 0.00 N ATOM 46 CA GLN A 5 -8.043 -27.907 -16.401 1.00 0.00 C ATOM 47 C GLN A 5 -7.653 -27.209 -15.098 1.00 0.00 C ATOM 48 O GLN A 5 -6.490 -26.991 -14.822 1.00 0.00 O ATOM 49 CB GLN A 5 -8.078 -29.420 -16.180 1.00 0.00 C ATOM 50 CG GLN A 5 -8.568 -30.111 -17.453 1.00 0.00 C ATOM 51 CD GLN A 5 -8.566 -31.627 -17.244 1.00 0.00 C ATOM 52 OE1 GLN A 5 -7.957 -32.123 -16.317 1.00 0.00 O ATOM 53 NE2 GLN A 5 -9.226 -32.388 -18.073 1.00 0.00 N ATOM 0 HA GLN A 5 -9.028 -27.563 -16.716 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.084 -29.783 -15.916 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.737 -29.661 -15.346 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.573 -29.769 -17.702 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.925 -29.848 -18.293 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.737 -31.971 -18.851 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.231 -33.400 -17.943 1.00 0.00 H new ATOM 62 N LYS A 6 -8.617 -26.857 -14.291 1.00 0.00 N ATOM 63 CA LYS A 6 -8.301 -26.174 -13.005 1.00 0.00 C ATOM 64 C LYS A 6 -8.963 -26.929 -11.851 1.00 0.00 C ATOM 65 O LYS A 6 -9.908 -27.671 -12.041 1.00 0.00 O ATOM 66 CB LYS A 6 -8.830 -24.740 -13.047 1.00 0.00 C ATOM 67 CG LYS A 6 -10.360 -24.761 -13.030 1.00 0.00 C ATOM 68 CD LYS A 6 -10.892 -23.337 -13.206 1.00 0.00 C ATOM 69 CE LYS A 6 -12.387 -23.308 -12.878 1.00 0.00 C ATOM 70 NZ LYS A 6 -13.142 -24.029 -13.941 1.00 0.00 N ATOM 0 H LYS A 6 -9.609 -27.013 -14.467 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.221 -26.159 -12.857 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.454 -24.177 -12.193 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.472 -24.235 -13.944 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.734 -25.402 -13.828 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.718 -25.181 -12.090 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.352 -22.652 -12.553 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.726 -22.999 -14.229 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.567 -23.774 -11.909 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.735 -22.277 -12.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.163 -23.938 -13.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.913 -23.619 -14.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.878 -25.035 -13.933 1.00 0.00 H new ATOM 84 N ILE A 7 -8.476 -26.748 -10.654 1.00 0.00 N ATOM 85 CA ILE A 7 -9.078 -27.455 -9.489 1.00 0.00 C ATOM 86 C ILE A 7 -9.686 -26.430 -8.530 1.00 0.00 C ATOM 87 O ILE A 7 -9.101 -25.402 -8.252 1.00 0.00 O ATOM 88 CB ILE A 7 -7.995 -28.254 -8.762 1.00 0.00 C ATOM 89 CG1 ILE A 7 -7.362 -29.257 -9.729 1.00 0.00 C ATOM 90 CG2 ILE A 7 -8.619 -29.005 -7.584 1.00 0.00 C ATOM 91 CD1 ILE A 7 -6.191 -29.961 -9.041 1.00 0.00 C ATOM 0 H ILE A 7 -7.687 -26.141 -10.433 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.857 -28.133 -9.838 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.228 -27.573 -8.394 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.104 -29.989 -10.047 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.015 -28.744 -10.626 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.847 -29.574 -7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.068 -28.291 -6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.387 -29.686 -7.952 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.740 -30.675 -9.730 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.446 -29.223 -8.745 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.551 -30.487 -8.157 1.00 0.00 H new ATOM 103 N ARG A 8 -10.857 -26.701 -8.021 1.00 0.00 N ATOM 104 CA ARG A 8 -11.500 -25.741 -7.080 1.00 0.00 C ATOM 105 C ARG A 8 -11.729 -26.424 -5.730 1.00 0.00 C ATOM 106 O ARG A 8 -12.149 -27.562 -5.662 1.00 0.00 O ATOM 107 CB ARG A 8 -12.843 -25.285 -7.655 1.00 0.00 C ATOM 108 CG ARG A 8 -12.605 -24.514 -8.956 1.00 0.00 C ATOM 109 CD ARG A 8 -13.940 -23.992 -9.490 1.00 0.00 C ATOM 110 NE ARG A 8 -14.875 -25.134 -9.692 1.00 0.00 N ATOM 111 CZ ARG A 8 -16.150 -24.982 -9.461 1.00 0.00 C ATOM 112 NH1 ARG A 8 -16.549 -24.365 -8.381 1.00 0.00 N ATOM 113 NH2 ARG A 8 -17.027 -25.444 -10.310 1.00 0.00 N ATOM 0 H ARG A 8 -11.396 -27.545 -8.216 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.850 -24.876 -6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.482 -26.148 -7.843 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.363 -24.653 -6.935 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.922 -23.683 -8.779 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.134 -25.162 -9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.369 -23.276 -8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.786 -23.464 -10.431 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.518 -26.035 -10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.864 -24.002 -7.718 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.546 -24.246 -8.200 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.716 -25.924 -11.154 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.024 -25.325 -10.129 1.00 0.00 H new ATOM 127 N ILE A 9 -11.455 -25.738 -4.655 1.00 0.00 N ATOM 128 CA ILE A 9 -11.657 -26.349 -3.310 1.00 0.00 C ATOM 129 C ILE A 9 -12.654 -25.505 -2.512 1.00 0.00 C ATOM 130 O ILE A 9 -12.581 -24.293 -2.494 1.00 0.00 O ATOM 131 CB ILE A 9 -10.321 -26.397 -2.566 1.00 0.00 C ATOM 132 CG1 ILE A 9 -9.316 -27.222 -3.373 1.00 0.00 C ATOM 133 CG2 ILE A 9 -10.525 -27.041 -1.194 1.00 0.00 C ATOM 134 CD1 ILE A 9 -7.943 -27.150 -2.702 1.00 0.00 C ATOM 0 H ILE A 9 -11.100 -24.782 -4.649 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.046 -27.361 -3.425 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.939 -25.384 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.648 -28.258 -3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.254 -26.844 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.574 -27.076 -0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.240 -26.453 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.907 -28.054 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.226 -27.737 -3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.612 -26.112 -2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.011 -27.549 -1.690 1.00 0.00 H new ATOM 146 N LYS A 10 -13.585 -26.138 -1.853 1.00 0.00 N ATOM 147 CA LYS A 10 -14.585 -25.371 -1.058 1.00 0.00 C ATOM 148 C LYS A 10 -14.292 -25.542 0.434 1.00 0.00 C ATOM 149 O LYS A 10 -14.285 -26.641 0.953 1.00 0.00 O ATOM 150 CB LYS A 10 -15.990 -25.893 -1.364 1.00 0.00 C ATOM 151 CG LYS A 10 -17.029 -24.890 -0.858 1.00 0.00 C ATOM 152 CD LYS A 10 -18.433 -25.392 -1.202 1.00 0.00 C ATOM 153 CE LYS A 10 -19.460 -24.314 -0.852 1.00 0.00 C ATOM 154 NZ LYS A 10 -20.066 -23.779 -2.104 1.00 0.00 N ATOM 0 H LYS A 10 -13.697 -27.152 -1.831 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.524 -24.315 -1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.108 -26.044 -2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.141 -26.861 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.931 -24.762 0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -16.859 -23.914 -1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.494 -25.636 -2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.649 -26.307 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -20.236 -24.731 -0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.982 -23.509 -0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -20.592 -22.908 -1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.314 -23.570 -2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -20.715 -24.486 -2.505 1.00 0.00 H new ATOM 168 N LEU A 11 -14.051 -24.464 1.127 1.00 0.00 N ATOM 169 CA LEU A 11 -13.758 -24.564 2.585 1.00 0.00 C ATOM 170 C LEU A 11 -15.007 -24.184 3.382 1.00 0.00 C ATOM 171 O LEU A 11 -15.586 -23.134 3.183 1.00 0.00 O ATOM 172 CB LEU A 11 -12.615 -23.613 2.944 1.00 0.00 C ATOM 173 CG LEU A 11 -11.374 -23.972 2.123 1.00 0.00 C ATOM 174 CD1 LEU A 11 -10.173 -23.179 2.641 1.00 0.00 C ATOM 175 CD2 LEU A 11 -11.091 -25.470 2.255 1.00 0.00 C ATOM 0 H LEU A 11 -14.044 -23.517 0.747 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.468 -25.586 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.910 -22.582 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.392 -23.681 4.009 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.548 -23.726 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.289 -23.434 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.374 -22.112 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.999 -23.425 3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.207 -25.726 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.917 -25.717 3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.947 -26.036 1.886 1.00 0.00 H new ATOM 187 N LYS A 12 -15.428 -25.029 4.283 1.00 0.00 N ATOM 188 CA LYS A 12 -16.640 -24.715 5.092 1.00 0.00 C ATOM 189 C LYS A 12 -16.274 -24.710 6.577 1.00 0.00 C ATOM 190 O LYS A 12 -15.552 -25.565 7.052 1.00 0.00 O ATOM 191 CB LYS A 12 -17.714 -25.773 4.832 1.00 0.00 C ATOM 192 CG LYS A 12 -18.074 -25.779 3.346 1.00 0.00 C ATOM 193 CD LYS A 12 -19.180 -26.806 3.093 1.00 0.00 C ATOM 194 CE LYS A 12 -19.463 -26.891 1.592 1.00 0.00 C ATOM 195 NZ LYS A 12 -20.526 -27.905 1.345 1.00 0.00 N ATOM 0 H LYS A 12 -14.985 -25.923 4.494 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.022 -23.734 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.352 -26.756 5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.600 -25.562 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.406 -24.788 3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.195 -26.021 2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.878 -27.782 3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.085 -26.521 3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -19.778 -25.918 1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.554 -27.162 1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.719 -27.964 0.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.208 -28.833 1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -21.394 -27.627 1.846 1.00 0.00 H new ATOM 209 N ALA A 13 -16.767 -23.755 7.317 1.00 0.00 N ATOM 210 CA ALA A 13 -16.446 -23.697 8.771 1.00 0.00 C ATOM 211 C ALA A 13 -17.379 -22.700 9.461 1.00 0.00 C ATOM 212 O ALA A 13 -17.731 -21.679 8.905 1.00 0.00 O ATOM 213 CB ALA A 13 -14.995 -23.250 8.957 1.00 0.00 C ATOM 0 H ALA A 13 -17.378 -23.012 6.978 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.581 -24.685 9.211 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.761 -23.208 10.021 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.330 -23.961 8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.859 -22.262 8.516 1.00 0.00 H new ATOM 219 N TYR A 14 -17.782 -22.987 10.669 1.00 0.00 N ATOM 220 CA TYR A 14 -18.691 -22.055 11.392 1.00 0.00 C ATOM 221 C TYR A 14 -17.981 -20.715 11.610 1.00 0.00 C ATOM 222 O TYR A 14 -18.567 -19.662 11.461 1.00 0.00 O ATOM 223 CB TYR A 14 -19.067 -22.658 12.748 1.00 0.00 C ATOM 224 CG TYR A 14 -19.817 -23.950 12.533 1.00 0.00 C ATOM 225 CD1 TYR A 14 -21.172 -23.923 12.181 1.00 0.00 C ATOM 226 CD2 TYR A 14 -19.157 -25.175 12.685 1.00 0.00 C ATOM 227 CE1 TYR A 14 -21.867 -25.122 11.980 1.00 0.00 C ATOM 228 CE2 TYR A 14 -19.853 -26.374 12.486 1.00 0.00 C ATOM 229 CZ TYR A 14 -21.207 -26.347 12.134 1.00 0.00 C ATOM 230 OH TYR A 14 -21.893 -27.529 11.937 1.00 0.00 O ATOM 0 H TYR A 14 -17.521 -23.827 11.186 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.593 -21.897 10.801 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -18.169 -22.840 13.339 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.683 -21.957 13.312 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.681 -22.978 12.065 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -18.112 -25.196 12.956 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -22.912 -25.102 11.706 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -19.345 -27.319 12.604 1.00 0.00 H new ATOM 0 HH TYR A 14 -21.288 -28.286 12.082 1.00 0.00 H new ATOM 240 N ASP A 15 -16.725 -20.749 11.960 1.00 0.00 N ATOM 241 CA ASP A 15 -15.981 -19.477 12.186 1.00 0.00 C ATOM 242 C ASP A 15 -15.344 -19.019 10.873 1.00 0.00 C ATOM 243 O ASP A 15 -14.466 -19.666 10.338 1.00 0.00 O ATOM 244 CB ASP A 15 -14.888 -19.704 13.230 1.00 0.00 C ATOM 245 CG ASP A 15 -14.272 -18.361 13.625 1.00 0.00 C ATOM 246 OD1 ASP A 15 -14.773 -17.345 13.171 1.00 0.00 O ATOM 247 OD2 ASP A 15 -13.309 -18.370 14.374 1.00 0.00 O ATOM 0 H ASP A 15 -16.182 -21.601 12.099 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.670 -18.712 12.542 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.306 -20.197 14.108 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.119 -20.365 12.829 1.00 0.00 H new ATOM 252 N HIS A 16 -15.779 -17.906 10.348 1.00 0.00 N ATOM 253 CA HIS A 16 -15.197 -17.409 9.070 1.00 0.00 C ATOM 254 C HIS A 16 -13.703 -17.143 9.261 1.00 0.00 C ATOM 255 O HIS A 16 -12.905 -17.354 8.369 1.00 0.00 O ATOM 256 CB HIS A 16 -15.899 -16.112 8.659 1.00 0.00 C ATOM 257 CG HIS A 16 -15.491 -15.002 9.587 1.00 0.00 C ATOM 258 ND1 HIS A 16 -14.435 -14.151 9.304 1.00 0.00 N ATOM 259 CD2 HIS A 16 -15.991 -14.588 10.798 1.00 0.00 C ATOM 260 CE1 HIS A 16 -14.333 -13.278 10.323 1.00 0.00 C ATOM 261 NE2 HIS A 16 -15.258 -13.500 11.261 1.00 0.00 N ATOM 0 H HIS A 16 -16.512 -17.320 10.749 1.00 0.00 H new ATOM 0 HA HIS A 16 -15.336 -18.159 8.291 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -15.639 -15.855 7.632 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -16.980 -16.246 8.690 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -16.827 -15.039 11.313 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -13.593 -12.493 10.376 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.397 -12.983 12.129 1.00 0.00 H new ATOM 269 N GLU A 17 -13.316 -16.683 10.419 1.00 0.00 N ATOM 270 CA GLU A 17 -11.873 -16.406 10.666 1.00 0.00 C ATOM 271 C GLU A 17 -11.090 -17.720 10.619 1.00 0.00 C ATOM 272 O GLU A 17 -9.997 -17.784 10.093 1.00 0.00 O ATOM 273 CB GLU A 17 -11.705 -15.762 12.043 1.00 0.00 C ATOM 274 CG GLU A 17 -12.478 -14.443 12.088 1.00 0.00 C ATOM 275 CD GLU A 17 -12.113 -13.680 13.363 1.00 0.00 C ATOM 276 OE1 GLU A 17 -11.509 -14.281 14.237 1.00 0.00 O ATOM 277 OE2 GLU A 17 -12.445 -12.509 13.445 1.00 0.00 O ATOM 0 H GLU A 17 -13.936 -16.487 11.204 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.496 -15.728 9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.070 -16.436 12.818 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.649 -15.584 12.246 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.241 -13.841 11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.550 -14.637 12.062 1.00 0.00 H new ATOM 284 N LEU A 18 -11.643 -18.769 11.164 1.00 0.00 N ATOM 285 CA LEU A 18 -10.930 -20.078 11.148 1.00 0.00 C ATOM 286 C LEU A 18 -10.854 -20.598 9.712 1.00 0.00 C ATOM 287 O LEU A 18 -9.856 -21.150 9.293 1.00 0.00 O ATOM 288 CB LEU A 18 -11.691 -21.082 12.015 1.00 0.00 C ATOM 289 CG LEU A 18 -10.853 -22.352 12.178 1.00 0.00 C ATOM 290 CD1 LEU A 18 -9.791 -22.126 13.256 1.00 0.00 C ATOM 291 CD2 LEU A 18 -11.762 -23.512 12.592 1.00 0.00 C ATOM 0 H LEU A 18 -12.556 -18.777 11.619 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.922 -19.949 11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.905 -20.647 12.991 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.650 -21.322 11.556 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.366 -22.591 11.233 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.193 -23.030 13.373 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.144 -21.299 12.962 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.278 -21.888 14.202 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.166 -24.417 12.708 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.248 -23.273 13.538 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.520 -23.672 11.825 1.00 0.00 H new ATOM 303 N LEU A 19 -11.902 -20.428 8.954 1.00 0.00 N ATOM 304 CA LEU A 19 -11.890 -20.912 7.545 1.00 0.00 C ATOM 305 C LEU A 19 -10.758 -20.224 6.780 1.00 0.00 C ATOM 306 O LEU A 19 -10.095 -20.824 5.959 1.00 0.00 O ATOM 307 CB LEU A 19 -13.228 -20.583 6.880 1.00 0.00 C ATOM 308 CG LEU A 19 -13.422 -21.475 5.654 1.00 0.00 C ATOM 309 CD1 LEU A 19 -13.304 -22.943 6.067 1.00 0.00 C ATOM 310 CD2 LEU A 19 -14.807 -21.224 5.054 1.00 0.00 C ATOM 0 H LEU A 19 -12.767 -19.975 9.250 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.735 -21.991 7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.044 -20.735 7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.252 -19.534 6.587 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.657 -21.244 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.442 -23.579 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.317 -23.123 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.068 -23.175 6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.945 -21.860 4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.572 -21.455 5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.892 -20.178 4.759 1.00 0.00 H new ATOM 322 N ASP A 20 -10.530 -18.967 7.046 1.00 0.00 N ATOM 323 CA ASP A 20 -9.441 -18.239 6.335 1.00 0.00 C ATOM 324 C ASP A 20 -8.087 -18.838 6.725 1.00 0.00 C ATOM 325 O ASP A 20 -7.177 -18.913 5.924 1.00 0.00 O ATOM 326 CB ASP A 20 -9.476 -16.761 6.724 1.00 0.00 C ATOM 327 CG ASP A 20 -8.518 -15.974 5.828 1.00 0.00 C ATOM 328 OD1 ASP A 20 -7.980 -16.565 4.906 1.00 0.00 O ATOM 329 OD2 ASP A 20 -8.338 -14.794 6.079 1.00 0.00 O ATOM 0 H ASP A 20 -11.051 -18.412 7.725 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.584 -18.334 5.259 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.489 -16.371 6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.193 -16.643 7.770 1.00 0.00 H new ATOM 334 N GLU A 21 -7.947 -19.263 7.951 1.00 0.00 N ATOM 335 CA GLU A 21 -6.652 -19.856 8.390 1.00 0.00 C ATOM 336 C GLU A 21 -6.386 -21.139 7.601 1.00 0.00 C ATOM 337 O GLU A 21 -5.270 -21.419 7.210 1.00 0.00 O ATOM 338 CB GLU A 21 -6.720 -20.181 9.884 1.00 0.00 C ATOM 339 CG GLU A 21 -6.851 -18.882 10.683 1.00 0.00 C ATOM 340 CD GLU A 21 -6.839 -19.201 12.179 1.00 0.00 C ATOM 341 OE1 GLU A 21 -6.912 -20.371 12.516 1.00 0.00 O ATOM 342 OE2 GLU A 21 -6.756 -18.270 12.963 1.00 0.00 O ATOM 0 H GLU A 21 -8.673 -19.225 8.667 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.846 -19.144 8.209 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.570 -20.833 10.087 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.824 -20.721 10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.031 -18.207 10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.776 -18.370 10.417 1.00 0.00 H new ATOM 349 N SER A 22 -7.403 -21.923 7.364 1.00 0.00 N ATOM 350 CA SER A 22 -7.207 -23.188 6.601 1.00 0.00 C ATOM 351 C SER A 22 -6.870 -22.859 5.146 1.00 0.00 C ATOM 352 O SER A 22 -6.065 -23.521 4.520 1.00 0.00 O ATOM 353 CB SER A 22 -8.492 -24.017 6.651 1.00 0.00 C ATOM 354 OG SER A 22 -8.895 -24.182 8.003 1.00 0.00 O ATOM 0 H SER A 22 -8.360 -21.742 7.666 1.00 0.00 H new ATOM 0 HA SER A 22 -6.389 -23.757 7.044 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.280 -23.522 6.083 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.328 -24.990 6.187 1.00 0.00 H new ATOM 0 HG SER A 22 -9.488 -23.445 8.260 1.00 0.00 H new ATOM 360 N ALA A 23 -7.479 -21.842 4.600 1.00 0.00 N ATOM 361 CA ALA A 23 -7.192 -21.474 3.184 1.00 0.00 C ATOM 362 C ALA A 23 -5.802 -20.840 3.095 1.00 0.00 C ATOM 363 O ALA A 23 -5.075 -21.048 2.144 1.00 0.00 O ATOM 364 CB ALA A 23 -8.241 -20.473 2.695 1.00 0.00 C ATOM 0 H ALA A 23 -8.162 -21.250 5.073 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.225 -22.368 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.032 -20.203 1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.232 -20.923 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.208 -19.578 3.317 1.00 0.00 H new ATOM 370 N LYS A 24 -5.427 -20.067 4.077 1.00 0.00 N ATOM 371 CA LYS A 24 -4.084 -19.422 4.047 1.00 0.00 C ATOM 372 C LYS A 24 -3.001 -20.502 4.026 1.00 0.00 C ATOM 373 O LYS A 24 -2.053 -20.429 3.270 1.00 0.00 O ATOM 374 CB LYS A 24 -3.910 -18.549 5.290 1.00 0.00 C ATOM 375 CG LYS A 24 -2.594 -17.775 5.190 1.00 0.00 C ATOM 376 CD LYS A 24 -2.392 -16.942 6.458 1.00 0.00 C ATOM 377 CE LYS A 24 -1.175 -16.032 6.282 1.00 0.00 C ATOM 378 NZ LYS A 24 -0.305 -16.128 7.488 1.00 0.00 N ATOM 0 H LYS A 24 -5.993 -19.854 4.899 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.997 -18.803 3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.746 -17.856 5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.912 -19.169 6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.762 -18.467 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.608 -17.126 4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.281 -16.344 6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.248 -17.597 7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.616 -16.323 5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.497 -15.001 6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.523 -15.510 7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.842 -15.831 8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.012 -17.111 7.610 1.00 0.00 H new ATOM 392 N LYS A 25 -3.132 -21.503 4.852 1.00 0.00 N ATOM 393 CA LYS A 25 -2.109 -22.587 4.879 1.00 0.00 C ATOM 394 C LYS A 25 -2.099 -23.314 3.533 1.00 0.00 C ATOM 395 O LYS A 25 -1.057 -23.645 3.004 1.00 0.00 O ATOM 396 CB LYS A 25 -2.448 -23.580 5.992 1.00 0.00 C ATOM 397 CG LYS A 25 -2.330 -22.885 7.350 1.00 0.00 C ATOM 398 CD LYS A 25 -2.536 -23.910 8.467 1.00 0.00 C ATOM 399 CE LYS A 25 -2.552 -23.196 9.820 1.00 0.00 C ATOM 400 NZ LYS A 25 -3.267 -24.039 10.819 1.00 0.00 N ATOM 0 H LYS A 25 -3.903 -21.618 5.510 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.126 -22.154 5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.459 -23.965 5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.773 -24.435 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.350 -22.417 7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.072 -22.090 7.430 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.473 -24.445 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.738 -24.652 8.445 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.532 -23.004 10.154 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.044 -22.228 9.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.278 -23.554 11.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.244 -24.200 10.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.779 -24.952 10.915 1.00 0.00 H new ATOM 414 N ILE A 26 -3.252 -23.566 2.976 1.00 0.00 N ATOM 415 CA ILE A 26 -3.308 -24.272 1.665 1.00 0.00 C ATOM 416 C ILE A 26 -2.796 -23.343 0.562 1.00 0.00 C ATOM 417 O ILE A 26 -2.045 -23.745 -0.303 1.00 0.00 O ATOM 418 CB ILE A 26 -4.753 -24.673 1.363 1.00 0.00 C ATOM 419 CG1 ILE A 26 -5.278 -25.574 2.484 1.00 0.00 C ATOM 420 CG2 ILE A 26 -4.805 -25.431 0.036 1.00 0.00 C ATOM 421 CD1 ILE A 26 -6.769 -25.843 2.267 1.00 0.00 C ATOM 0 H ILE A 26 -4.157 -23.313 3.372 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.684 -25.165 1.707 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.371 -23.778 1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.726 -26.514 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.121 -25.098 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.834 -25.717 -0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.431 -24.791 -0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.186 -26.326 0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.143 -26.484 3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.314 -24.899 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.913 -26.337 1.306 1.00 0.00 H new ATOM 433 N VAL A 27 -3.199 -22.102 0.586 1.00 0.00 N ATOM 434 CA VAL A 27 -2.736 -21.148 -0.461 1.00 0.00 C ATOM 435 C VAL A 27 -1.215 -21.003 -0.384 1.00 0.00 C ATOM 436 O VAL A 27 -0.527 -21.029 -1.386 1.00 0.00 O ATOM 437 CB VAL A 27 -3.390 -19.784 -0.232 1.00 0.00 C ATOM 438 CG1 VAL A 27 -2.791 -18.762 -1.200 1.00 0.00 C ATOM 439 CG2 VAL A 27 -4.896 -19.893 -0.474 1.00 0.00 C ATOM 0 H VAL A 27 -3.829 -21.708 1.285 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.015 -21.525 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.209 -19.463 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.257 -17.790 -1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.718 -18.683 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.971 -19.083 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.362 -18.921 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.077 -20.215 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.324 -20.621 0.216 1.00 0.00 H new ATOM 449 N GLU A 28 -0.684 -20.847 0.798 1.00 0.00 N ATOM 450 CA GLU A 28 0.792 -20.698 0.938 1.00 0.00 C ATOM 451 C GLU A 28 1.487 -21.958 0.418 1.00 0.00 C ATOM 452 O GLU A 28 2.479 -21.889 -0.280 1.00 0.00 O ATOM 453 CB GLU A 28 1.146 -20.493 2.412 1.00 0.00 C ATOM 454 CG GLU A 28 0.624 -19.131 2.876 1.00 0.00 C ATOM 455 CD GLU A 28 1.071 -18.878 4.317 1.00 0.00 C ATOM 456 OE1 GLU A 28 1.619 -19.788 4.916 1.00 0.00 O ATOM 457 OE2 GLU A 28 0.858 -17.777 4.798 1.00 0.00 O ATOM 0 H GLU A 28 -1.208 -20.816 1.672 1.00 0.00 H new ATOM 0 HA GLU A 28 1.125 -19.836 0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.708 -21.288 3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.226 -20.547 2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.001 -18.344 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.464 -19.105 2.811 1.00 0.00 H new ATOM 464 N VAL A 29 0.974 -23.111 0.752 1.00 0.00 N ATOM 465 CA VAL A 29 1.607 -24.374 0.276 1.00 0.00 C ATOM 466 C VAL A 29 1.326 -24.556 -1.217 1.00 0.00 C ATOM 467 O VAL A 29 2.163 -25.024 -1.963 1.00 0.00 O ATOM 468 CB VAL A 29 1.027 -25.558 1.052 1.00 0.00 C ATOM 469 CG1 VAL A 29 1.780 -26.835 0.672 1.00 0.00 C ATOM 470 CG2 VAL A 29 1.177 -25.306 2.554 1.00 0.00 C ATOM 0 H VAL A 29 0.145 -23.233 1.333 1.00 0.00 H new ATOM 0 HA VAL A 29 2.684 -24.324 0.439 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.029 -25.671 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.367 -27.679 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.674 -27.015 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.836 -26.722 0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.764 -26.149 3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.233 -25.193 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.641 -24.396 2.826 1.00 0.00 H new ATOM 480 N ALA A 30 0.154 -24.189 -1.660 1.00 0.00 N ATOM 481 CA ALA A 30 -0.178 -24.342 -3.105 1.00 0.00 C ATOM 482 C ALA A 30 0.687 -23.390 -3.932 1.00 0.00 C ATOM 483 O ALA A 30 1.302 -23.781 -4.904 1.00 0.00 O ATOM 484 CB ALA A 30 -1.655 -24.011 -3.327 1.00 0.00 C ATOM 0 H ALA A 30 -0.587 -23.790 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 30 0.015 -25.369 -3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.898 -24.123 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.272 -24.690 -2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.848 -22.984 -3.017 1.00 0.00 H new ATOM 490 N LYS A 31 0.741 -22.143 -3.554 1.00 0.00 N ATOM 491 CA LYS A 31 1.567 -21.166 -4.320 1.00 0.00 C ATOM 492 C LYS A 31 3.022 -21.638 -4.346 1.00 0.00 C ATOM 493 O LYS A 31 3.715 -21.488 -5.333 1.00 0.00 O ATOM 494 CB LYS A 31 1.490 -19.795 -3.647 1.00 0.00 C ATOM 495 CG LYS A 31 0.075 -19.233 -3.792 1.00 0.00 C ATOM 496 CD LYS A 31 0.050 -17.781 -3.311 1.00 0.00 C ATOM 497 CE LYS A 31 0.392 -17.732 -1.819 1.00 0.00 C ATOM 498 NZ LYS A 31 1.637 -16.938 -1.621 1.00 0.00 N ATOM 0 H LYS A 31 0.249 -21.758 -2.748 1.00 0.00 H new ATOM 0 HA LYS A 31 1.189 -21.093 -5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.752 -19.881 -2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.211 -19.115 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.244 -19.288 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.627 -19.832 -3.211 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.765 -17.186 -3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.934 -17.346 -3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.430 -17.284 -1.261 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.527 -18.742 -1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.870 -16.904 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.419 -17.384 -2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.492 -15.971 -1.975 1.00 0.00 H new ATOM 512 N SER A 32 3.490 -22.209 -3.270 1.00 0.00 N ATOM 513 CA SER A 32 4.899 -22.689 -3.235 1.00 0.00 C ATOM 514 C SER A 32 5.126 -23.683 -4.376 1.00 0.00 C ATOM 515 O SER A 32 6.192 -23.745 -4.954 1.00 0.00 O ATOM 516 CB SER A 32 5.170 -23.377 -1.896 1.00 0.00 C ATOM 517 OG SER A 32 4.851 -22.490 -0.834 1.00 0.00 O ATOM 0 H SER A 32 2.957 -22.364 -2.414 1.00 0.00 H new ATOM 0 HA SER A 32 5.576 -21.842 -3.351 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.575 -24.286 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.217 -23.675 -1.833 1.00 0.00 H new ATOM 0 HG SER A 32 3.922 -22.632 -0.557 1.00 0.00 H new ATOM 523 N THR A 33 4.131 -24.461 -4.702 1.00 0.00 N ATOM 524 CA THR A 33 4.290 -25.450 -5.804 1.00 0.00 C ATOM 525 C THR A 33 4.294 -24.720 -7.149 1.00 0.00 C ATOM 526 O THR A 33 3.746 -23.645 -7.283 1.00 0.00 O ATOM 527 CB THR A 33 3.129 -26.445 -5.768 1.00 0.00 C ATOM 528 OG1 THR A 33 3.015 -26.989 -4.460 1.00 0.00 O ATOM 529 CG2 THR A 33 3.385 -27.570 -6.771 1.00 0.00 C ATOM 0 H THR A 33 3.215 -24.454 -4.253 1.00 0.00 H new ATOM 0 HA THR A 33 5.231 -25.985 -5.678 1.00 0.00 H new ATOM 0 HB THR A 33 2.203 -25.933 -6.031 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.117 -27.361 -4.338 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.556 -28.278 -6.743 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.471 -27.151 -7.774 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.310 -28.085 -6.512 1.00 0.00 H new ATOM 537 N ASN A 34 4.908 -25.295 -8.146 1.00 0.00 N ATOM 538 CA ASN A 34 4.946 -24.634 -9.481 1.00 0.00 C ATOM 539 C ASN A 34 3.528 -24.233 -9.892 1.00 0.00 C ATOM 540 O ASN A 34 3.317 -23.216 -10.522 1.00 0.00 O ATOM 541 CB ASN A 34 5.524 -25.602 -10.515 1.00 0.00 C ATOM 542 CG ASN A 34 5.879 -24.834 -11.790 1.00 0.00 C ATOM 543 OD1 ASN A 34 6.696 -23.936 -11.765 1.00 0.00 O ATOM 544 ND2 ASN A 34 5.294 -25.152 -12.913 1.00 0.00 N ATOM 0 H ASN A 34 5.385 -26.195 -8.094 1.00 0.00 H new ATOM 0 HA ASN A 34 5.574 -23.744 -9.428 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.411 -26.092 -10.114 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.801 -26.386 -10.739 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.523 -24.646 -13.769 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.608 -25.906 -12.935 1.00 0.00 H new ATOM 551 N SER A 35 2.554 -25.026 -9.539 1.00 0.00 N ATOM 552 CA SER A 35 1.150 -24.691 -9.910 1.00 0.00 C ATOM 553 C SER A 35 0.763 -23.350 -9.282 1.00 0.00 C ATOM 554 O SER A 35 1.344 -22.922 -8.304 1.00 0.00 O ATOM 555 CB SER A 35 0.212 -25.783 -9.393 1.00 0.00 C ATOM 556 OG SER A 35 0.059 -25.651 -7.988 1.00 0.00 O ATOM 0 H SER A 35 2.669 -25.891 -9.010 1.00 0.00 H new ATOM 0 HA SER A 35 1.067 -24.623 -10.995 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.758 -25.706 -9.884 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.614 -26.767 -9.635 1.00 0.00 H new ATOM 0 HG SER A 35 -0.875 -25.819 -7.743 1.00 0.00 H new ATOM 562 N LYS A 36 -0.213 -22.684 -9.836 1.00 0.00 N ATOM 563 CA LYS A 36 -0.634 -21.373 -9.270 1.00 0.00 C ATOM 564 C LYS A 36 -2.042 -21.500 -8.681 1.00 0.00 C ATOM 565 O LYS A 36 -2.873 -22.226 -9.188 1.00 0.00 O ATOM 566 CB LYS A 36 -0.638 -20.316 -10.377 1.00 0.00 C ATOM 567 CG LYS A 36 0.785 -20.125 -10.904 1.00 0.00 C ATOM 568 CD LYS A 36 0.804 -18.986 -11.924 1.00 0.00 C ATOM 569 CE LYS A 36 2.187 -18.906 -12.574 1.00 0.00 C ATOM 570 NZ LYS A 36 2.208 -19.748 -13.802 1.00 0.00 N ATOM 0 H LYS A 36 -0.736 -22.992 -10.656 1.00 0.00 H new ATOM 0 HA LYS A 36 0.063 -21.075 -8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.299 -20.625 -11.187 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.025 -19.372 -9.992 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.462 -19.900 -10.080 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.140 -21.046 -11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.042 -19.153 -12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.565 -18.042 -11.435 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.423 -17.872 -12.825 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.950 -19.246 -11.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.148 -19.694 -14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.000 -20.735 -13.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.490 -19.404 -14.471 1.00 0.00 H new ATOM 584 N VAL A 37 -2.315 -20.800 -7.614 1.00 0.00 N ATOM 585 CA VAL A 37 -3.667 -20.883 -6.995 1.00 0.00 C ATOM 586 C VAL A 37 -4.290 -19.486 -6.939 1.00 0.00 C ATOM 587 O VAL A 37 -3.616 -18.505 -6.692 1.00 0.00 O ATOM 588 CB VAL A 37 -3.545 -21.444 -5.577 1.00 0.00 C ATOM 589 CG1 VAL A 37 -4.940 -21.586 -4.964 1.00 0.00 C ATOM 590 CG2 VAL A 37 -2.869 -22.816 -5.628 1.00 0.00 C ATOM 0 H VAL A 37 -1.660 -20.175 -7.145 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.300 -21.539 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.947 -20.766 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.854 -21.986 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.423 -20.609 -4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.538 -22.264 -5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.782 -23.216 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.467 -23.494 -6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.876 -22.716 -6.066 1.00 0.00 H new ATOM 600 N SER A 38 -5.571 -19.389 -7.166 1.00 0.00 N ATOM 601 CA SER A 38 -6.237 -18.057 -7.125 1.00 0.00 C ATOM 602 C SER A 38 -7.217 -18.011 -5.952 1.00 0.00 C ATOM 603 O SER A 38 -7.965 -18.941 -5.719 1.00 0.00 O ATOM 604 CB SER A 38 -6.995 -17.826 -8.433 1.00 0.00 C ATOM 605 OG SER A 38 -7.344 -16.454 -8.541 1.00 0.00 O ATOM 0 H SER A 38 -6.185 -20.175 -7.378 1.00 0.00 H new ATOM 0 HA SER A 38 -5.484 -17.279 -6.999 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.378 -18.123 -9.281 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.893 -18.444 -8.460 1.00 0.00 H new ATOM 0 HG SER A 38 -7.828 -16.305 -9.380 1.00 0.00 H new ATOM 611 N GLY A 39 -7.220 -16.938 -5.210 1.00 0.00 N ATOM 612 CA GLY A 39 -8.154 -16.835 -4.053 1.00 0.00 C ATOM 613 C GLY A 39 -7.382 -16.367 -2.816 1.00 0.00 C ATOM 614 O GLY A 39 -6.353 -15.732 -2.920 1.00 0.00 O ATOM 0 H GLY A 39 -6.617 -16.128 -5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.957 -16.134 -4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.620 -17.801 -3.860 1.00 0.00 H new ATOM 618 N PRO A 40 -7.899 -16.690 -1.622 1.00 0.00 N ATOM 619 CA PRO A 40 -9.144 -17.457 -1.478 1.00 0.00 C ATOM 620 C PRO A 40 -10.368 -16.636 -1.893 1.00 0.00 C ATOM 621 O PRO A 40 -10.480 -15.468 -1.579 1.00 0.00 O ATOM 622 CB PRO A 40 -9.204 -17.762 0.020 1.00 0.00 C ATOM 623 CG PRO A 40 -8.400 -16.679 0.656 1.00 0.00 C ATOM 624 CD PRO A 40 -7.311 -16.334 -0.320 1.00 0.00 C ATOM 0 HA PRO A 40 -9.153 -18.346 -2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.231 -17.759 0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.790 -18.746 0.241 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.020 -15.809 0.870 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.980 -17.012 1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.048 -15.277 -0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.400 -16.898 -0.122 1.00 0.00 H new ATOM 632 N ILE A 41 -11.287 -17.239 -2.598 1.00 0.00 N ATOM 633 CA ILE A 41 -12.502 -16.492 -3.031 1.00 0.00 C ATOM 634 C ILE A 41 -13.584 -16.615 -1.956 1.00 0.00 C ATOM 635 O ILE A 41 -14.082 -17.688 -1.684 1.00 0.00 O ATOM 636 CB ILE A 41 -13.020 -17.080 -4.344 1.00 0.00 C ATOM 637 CG1 ILE A 41 -11.853 -17.272 -5.315 1.00 0.00 C ATOM 638 CG2 ILE A 41 -14.043 -16.124 -4.962 1.00 0.00 C ATOM 639 CD1 ILE A 41 -12.162 -18.434 -6.262 1.00 0.00 C ATOM 0 H ILE A 41 -11.249 -18.215 -2.892 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.251 -15.441 -3.177 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.492 -18.043 -4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.687 -16.358 -5.886 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.936 -17.474 -4.762 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.413 -16.542 -5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.876 -15.986 -4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.570 -15.161 -5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.331 -18.571 -6.954 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.306 -19.346 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.069 -18.214 -6.824 1.00 0.00 H new ATOM 651 N PRO A 42 -13.951 -15.484 -1.335 1.00 0.00 N ATOM 652 CA PRO A 42 -14.975 -15.455 -0.284 1.00 0.00 C ATOM 653 C PRO A 42 -16.380 -15.674 -0.854 1.00 0.00 C ATOM 654 O PRO A 42 -16.724 -15.161 -1.900 1.00 0.00 O ATOM 655 CB PRO A 42 -14.859 -14.044 0.289 1.00 0.00 C ATOM 656 CG PRO A 42 -14.282 -13.229 -0.819 1.00 0.00 C ATOM 657 CD PRO A 42 -13.394 -14.150 -1.610 1.00 0.00 C ATOM 0 HA PRO A 42 -14.826 -16.243 0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.832 -13.661 0.597 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.216 -14.026 1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.071 -12.816 -1.448 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.714 -12.386 -0.425 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.419 -13.916 -2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.354 -14.076 -1.292 1.00 0.00 H new ATOM 665 N LEU A 43 -17.195 -16.435 -0.174 1.00 0.00 N ATOM 666 CA LEU A 43 -18.574 -16.686 -0.676 1.00 0.00 C ATOM 667 C LEU A 43 -19.590 -16.153 0.337 1.00 0.00 C ATOM 668 O LEU A 43 -19.233 -15.694 1.403 1.00 0.00 O ATOM 669 CB LEU A 43 -18.781 -18.190 -0.865 1.00 0.00 C ATOM 670 CG LEU A 43 -18.910 -18.505 -2.356 1.00 0.00 C ATOM 671 CD1 LEU A 43 -17.539 -18.378 -3.025 1.00 0.00 C ATOM 672 CD2 LEU A 43 -19.432 -19.933 -2.533 1.00 0.00 C ATOM 0 H LEU A 43 -16.964 -16.893 0.708 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.713 -16.178 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.942 -18.740 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.677 -18.514 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.606 -17.803 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.631 -18.602 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -17.166 -17.362 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.843 -19.079 -2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -19.524 -20.158 -3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -18.736 -20.634 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -20.408 -20.025 -2.057 1.00 0.00 H new ATOM 684 N PRO A 44 -20.885 -16.218 -0.008 1.00 0.00 N ATOM 685 CA PRO A 44 -21.962 -15.744 0.868 1.00 0.00 C ATOM 686 C PRO A 44 -22.141 -16.651 2.090 1.00 0.00 C ATOM 687 O PRO A 44 -22.182 -17.860 1.977 1.00 0.00 O ATOM 688 CB PRO A 44 -23.204 -15.814 -0.020 1.00 0.00 C ATOM 689 CG PRO A 44 -22.879 -16.853 -1.040 1.00 0.00 C ATOM 690 CD PRO A 44 -21.399 -16.759 -1.280 1.00 0.00 C ATOM 0 HA PRO A 44 -21.760 -14.748 1.262 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.088 -16.087 0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.412 -14.851 -0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.153 -17.846 -0.684 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.434 -16.680 -1.962 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -20.965 -17.733 -1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.168 -16.103 -2.119 1.00 0.00 H new ATOM 698 N THR A 45 -22.246 -16.075 3.256 1.00 0.00 N ATOM 699 CA THR A 45 -22.420 -16.904 4.483 1.00 0.00 C ATOM 700 C THR A 45 -23.876 -17.362 4.588 1.00 0.00 C ATOM 701 O THR A 45 -24.791 -16.631 4.264 1.00 0.00 O ATOM 702 CB THR A 45 -22.055 -16.073 5.715 1.00 0.00 C ATOM 703 OG1 THR A 45 -20.790 -15.460 5.513 1.00 0.00 O ATOM 704 CG2 THR A 45 -21.993 -16.981 6.945 1.00 0.00 C ATOM 0 H THR A 45 -22.219 -15.067 3.412 1.00 0.00 H new ATOM 0 HA THR A 45 -21.769 -17.777 4.428 1.00 0.00 H new ATOM 0 HB THR A 45 -22.811 -15.304 5.872 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.140 -15.835 6.144 1.00 0.00 H new ATOM 0 HG21 THR A 45 -21.733 -16.388 7.822 1.00 0.00 H new ATOM 0 HG22 THR A 45 -22.964 -17.451 7.100 1.00 0.00 H new ATOM 0 HG23 THR A 45 -21.238 -17.751 6.791 1.00 0.00 H new ATOM 762 N VAL A 49 -22.890 -20.158 8.886 1.00 0.00 N ATOM 763 CA VAL A 49 -21.721 -20.913 8.352 1.00 0.00 C ATOM 764 C VAL A 49 -21.106 -20.145 7.181 1.00 0.00 C ATOM 765 O VAL A 49 -21.795 -19.718 6.276 1.00 0.00 O ATOM 766 CB VAL A 49 -22.180 -22.292 7.874 1.00 0.00 C ATOM 767 CG1 VAL A 49 -20.970 -23.090 7.381 1.00 0.00 C ATOM 768 CG2 VAL A 49 -22.846 -23.039 9.030 1.00 0.00 C ATOM 0 HA VAL A 49 -20.976 -21.030 9.139 1.00 0.00 H new ATOM 0 HB VAL A 49 -22.895 -22.174 7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -21.296 -24.073 7.040 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -20.496 -22.559 6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -20.255 -23.207 8.195 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -23.173 -24.021 8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -22.133 -23.157 9.846 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -23.708 -22.472 9.381 1.00 0.00 H new ATOM 778 N HIS A 50 -19.813 -19.967 7.189 1.00 0.00 N ATOM 779 CA HIS A 50 -19.155 -19.229 6.075 1.00 0.00 C ATOM 780 C HIS A 50 -18.508 -20.229 5.115 1.00 0.00 C ATOM 781 O HIS A 50 -18.105 -21.306 5.505 1.00 0.00 O ATOM 782 CB HIS A 50 -18.083 -18.299 6.645 1.00 0.00 C ATOM 783 CG HIS A 50 -18.719 -17.345 7.619 1.00 0.00 C ATOM 784 ND1 HIS A 50 -19.192 -16.100 7.233 1.00 0.00 N ATOM 785 CD2 HIS A 50 -18.969 -17.439 8.966 1.00 0.00 C ATOM 786 CE1 HIS A 50 -19.696 -15.502 8.327 1.00 0.00 C ATOM 787 NE2 HIS A 50 -19.585 -16.274 9.411 1.00 0.00 N ATOM 0 H HIS A 50 -19.184 -20.301 7.919 1.00 0.00 H new ATOM 0 HA HIS A 50 -19.898 -18.640 5.538 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -17.307 -18.881 7.142 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -17.599 -17.746 5.840 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -18.724 -18.289 9.586 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -20.137 -14.516 8.329 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -19.887 -16.056 10.361 1.00 0.00 H new ATOM 795 N LYS A 51 -18.409 -19.885 3.859 1.00 0.00 N ATOM 796 CA LYS A 51 -17.793 -20.822 2.878 1.00 0.00 C ATOM 797 C LYS A 51 -16.790 -20.067 2.004 1.00 0.00 C ATOM 798 O LYS A 51 -17.018 -18.941 1.607 1.00 0.00 O ATOM 799 CB LYS A 51 -18.887 -21.423 1.993 1.00 0.00 C ATOM 800 CG LYS A 51 -19.906 -22.156 2.868 1.00 0.00 C ATOM 801 CD LYS A 51 -20.852 -22.964 1.978 1.00 0.00 C ATOM 802 CE LYS A 51 -21.612 -22.017 1.047 1.00 0.00 C ATOM 803 NZ LYS A 51 -23.078 -22.183 1.258 1.00 0.00 N ATOM 0 H LYS A 51 -18.728 -18.997 3.471 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.277 -21.618 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.381 -20.637 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.448 -22.113 1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.393 -22.817 3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.472 -21.440 3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.287 -23.690 1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.554 -23.527 2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.320 -20.985 1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.357 -22.229 0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.595 -21.539 0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.350 -23.165 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.314 -21.960 2.246 1.00 0.00 H new ATOM 817 N ARG A 52 -15.679 -20.682 1.697 1.00 0.00 N ATOM 818 CA ARG A 52 -14.661 -20.007 0.845 1.00 0.00 C ATOM 819 C ARG A 52 -14.350 -20.891 -0.364 1.00 0.00 C ATOM 820 O ARG A 52 -14.426 -22.101 -0.295 1.00 0.00 O ATOM 821 CB ARG A 52 -13.384 -19.781 1.657 1.00 0.00 C ATOM 822 CG ARG A 52 -13.664 -18.776 2.776 1.00 0.00 C ATOM 823 CD ARG A 52 -12.363 -18.464 3.519 1.00 0.00 C ATOM 824 NE ARG A 52 -12.661 -17.609 4.703 1.00 0.00 N ATOM 825 CZ ARG A 52 -12.445 -16.323 4.652 1.00 0.00 C ATOM 826 NH1 ARG A 52 -11.344 -15.866 4.122 1.00 0.00 N ATOM 827 NH2 ARG A 52 -13.332 -15.494 5.130 1.00 0.00 N ATOM 0 H ARG A 52 -15.434 -21.624 2.001 1.00 0.00 H new ATOM 0 HA ARG A 52 -15.047 -19.046 0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.037 -20.724 2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.589 -19.409 1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.086 -17.861 2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.402 -19.182 3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.882 -19.389 3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.665 -17.954 2.855 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.034 -18.030 5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.651 -16.514 3.747 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.176 -14.861 4.083 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.193 -15.851 5.543 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.164 -14.489 5.091 1.00 0.00 H new ATOM 841 N LEU A 53 -14.002 -20.299 -1.474 1.00 0.00 N ATOM 842 CA LEU A 53 -13.691 -21.112 -2.683 1.00 0.00 C ATOM 843 C LEU A 53 -12.273 -20.801 -3.164 1.00 0.00 C ATOM 844 O LEU A 53 -11.889 -19.656 -3.301 1.00 0.00 O ATOM 845 CB LEU A 53 -14.690 -20.778 -3.792 1.00 0.00 C ATOM 846 CG LEU A 53 -14.457 -21.706 -4.985 1.00 0.00 C ATOM 847 CD1 LEU A 53 -14.921 -23.120 -4.629 1.00 0.00 C ATOM 848 CD2 LEU A 53 -15.249 -21.198 -6.191 1.00 0.00 C ATOM 0 H LEU A 53 -13.920 -19.290 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.762 -22.171 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.710 -20.891 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.575 -19.738 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 53 -13.395 -21.722 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.755 -23.782 -5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -14.356 -23.483 -3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -15.983 -23.104 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -15.082 -21.860 -7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.311 -21.181 -5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.918 -20.191 -6.445 1.00 0.00 H new ATOM 860 N ILE A 54 -11.492 -21.813 -3.426 1.00 0.00 N ATOM 861 CA ILE A 54 -10.099 -21.580 -3.901 1.00 0.00 C ATOM 862 C ILE A 54 -9.930 -22.202 -5.290 1.00 0.00 C ATOM 863 O ILE A 54 -10.177 -23.375 -5.488 1.00 0.00 O ATOM 864 CB ILE A 54 -9.112 -22.226 -2.928 1.00 0.00 C ATOM 865 CG1 ILE A 54 -9.343 -21.670 -1.521 1.00 0.00 C ATOM 866 CG2 ILE A 54 -7.681 -21.912 -3.371 1.00 0.00 C ATOM 867 CD1 ILE A 54 -8.428 -22.394 -0.531 1.00 0.00 C ATOM 0 H ILE A 54 -11.759 -22.793 -3.331 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.904 -20.509 -3.953 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.263 -23.305 -2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.141 -20.599 -1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.386 -21.802 -1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.976 -22.372 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.515 -22.308 -4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.531 -20.832 -3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.592 -21.999 0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.652 -23.461 -0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.388 -22.239 -0.817 1.00 0.00 H new ATOM 879 N ASP A 55 -9.516 -21.425 -6.253 1.00 0.00 N ATOM 880 CA ASP A 55 -9.337 -21.975 -7.627 1.00 0.00 C ATOM 881 C ASP A 55 -7.858 -22.275 -7.874 1.00 0.00 C ATOM 882 O ASP A 55 -6.986 -21.528 -7.474 1.00 0.00 O ATOM 883 CB ASP A 55 -9.827 -20.951 -8.653 1.00 0.00 C ATOM 884 CG ASP A 55 -11.336 -20.753 -8.498 1.00 0.00 C ATOM 885 OD1 ASP A 55 -11.951 -21.556 -7.815 1.00 0.00 O ATOM 886 OD2 ASP A 55 -11.850 -19.802 -9.062 1.00 0.00 O ATOM 0 H ASP A 55 -9.294 -20.435 -6.149 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.913 -22.895 -7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.309 -20.003 -8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.596 -21.293 -9.662 1.00 0.00 H new ATOM 891 N ILE A 56 -7.568 -23.363 -8.534 1.00 0.00 N ATOM 892 CA ILE A 56 -6.146 -23.712 -8.812 1.00 0.00 C ATOM 893 C ILE A 56 -5.938 -23.812 -10.325 1.00 0.00 C ATOM 894 O ILE A 56 -6.688 -24.465 -11.022 1.00 0.00 O ATOM 895 CB ILE A 56 -5.814 -25.057 -8.162 1.00 0.00 C ATOM 896 CG1 ILE A 56 -6.055 -24.969 -6.653 1.00 0.00 C ATOM 897 CG2 ILE A 56 -4.346 -25.401 -8.424 1.00 0.00 C ATOM 898 CD1 ILE A 56 -5.765 -26.326 -6.011 1.00 0.00 C ATOM 0 H ILE A 56 -8.255 -24.026 -8.893 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.493 -22.941 -8.402 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.451 -25.832 -8.587 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.414 -24.203 -6.216 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.085 -24.674 -6.455 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.109 -26.359 -7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.173 -25.464 -9.498 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.709 -24.625 -7.999 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.936 -26.264 -4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.424 -27.080 -6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.727 -26.602 -6.198 1.00 0.00 H new ATOM 910 N ILE A 57 -4.928 -23.165 -10.840 1.00 0.00 N ATOM 911 CA ILE A 57 -4.679 -23.222 -12.308 1.00 0.00 C ATOM 912 C ILE A 57 -3.393 -24.004 -12.583 1.00 0.00 C ATOM 913 O ILE A 57 -2.412 -23.875 -11.876 1.00 0.00 O ATOM 914 CB ILE A 57 -4.539 -21.801 -12.856 1.00 0.00 C ATOM 915 CG1 ILE A 57 -5.781 -20.987 -12.489 1.00 0.00 C ATOM 916 CG2 ILE A 57 -4.394 -21.854 -14.378 1.00 0.00 C ATOM 917 CD1 ILE A 57 -5.576 -19.529 -12.904 1.00 0.00 C ATOM 0 H ILE A 57 -4.266 -22.600 -10.308 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.516 -23.721 -12.797 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.656 -21.330 -12.423 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.659 -21.398 -12.988 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.965 -21.049 -11.416 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.294 -20.842 -14.769 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.508 -22.433 -14.639 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.276 -22.325 -14.811 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.461 -18.948 -12.643 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.708 -19.122 -12.385 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.413 -19.477 -13.980 1.00 0.00 H new ATOM 929 N ASP A 58 -3.389 -24.813 -13.607 1.00 0.00 N ATOM 930 CA ASP A 58 -2.167 -25.602 -13.932 1.00 0.00 C ATOM 931 C ASP A 58 -1.687 -26.342 -12.682 1.00 0.00 C ATOM 932 O ASP A 58 -0.579 -26.147 -12.223 1.00 0.00 O ATOM 933 CB ASP A 58 -1.067 -24.659 -14.421 1.00 0.00 C ATOM 934 CG ASP A 58 -0.162 -25.400 -15.409 1.00 0.00 C ATOM 935 OD1 ASP A 58 -0.649 -26.312 -16.058 1.00 0.00 O ATOM 936 OD2 ASP A 58 1.000 -25.043 -15.500 1.00 0.00 O ATOM 0 H ASP A 58 -4.180 -24.962 -14.233 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.400 -26.325 -14.713 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.509 -23.785 -14.901 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.481 -24.297 -13.576 1.00 0.00 H new ATOM 941 N PRO A 59 -2.542 -27.212 -12.127 1.00 0.00 N ATOM 942 CA PRO A 59 -2.212 -27.993 -10.928 1.00 0.00 C ATOM 943 C PRO A 59 -1.164 -29.070 -11.224 1.00 0.00 C ATOM 944 O PRO A 59 -1.189 -29.705 -12.260 1.00 0.00 O ATOM 945 CB PRO A 59 -3.540 -28.647 -10.550 1.00 0.00 C ATOM 946 CG PRO A 59 -4.307 -28.710 -11.828 1.00 0.00 C ATOM 947 CD PRO A 59 -3.897 -27.502 -12.625 1.00 0.00 C ATOM 0 HA PRO A 59 -1.788 -27.372 -10.139 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.387 -29.641 -10.130 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.070 -28.062 -9.798 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.084 -29.628 -12.371 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.380 -28.705 -11.638 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -3.897 -27.707 -13.695 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.574 -26.663 -12.461 1.00 0.00 H new ATOM 955 N SER A 60 -0.245 -29.280 -10.323 1.00 0.00 N ATOM 956 CA SER A 60 0.803 -30.315 -10.554 1.00 0.00 C ATOM 957 C SER A 60 0.706 -31.388 -9.468 1.00 0.00 C ATOM 958 O SER A 60 0.068 -31.199 -8.452 1.00 0.00 O ATOM 959 CB SER A 60 2.185 -29.662 -10.504 1.00 0.00 C ATOM 960 OG SER A 60 2.115 -28.464 -9.745 1.00 0.00 O ATOM 0 H SER A 60 -0.174 -28.780 -9.437 1.00 0.00 H new ATOM 0 HA SER A 60 0.653 -30.772 -11.532 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.906 -30.346 -10.058 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.534 -29.446 -11.514 1.00 0.00 H new ATOM 0 HG SER A 60 3.001 -28.046 -9.711 1.00 0.00 H new ATOM 966 N PRO A 61 1.359 -32.538 -9.692 1.00 0.00 N ATOM 967 CA PRO A 61 1.353 -33.651 -8.735 1.00 0.00 C ATOM 968 C PRO A 61 2.100 -33.294 -7.449 1.00 0.00 C ATOM 969 O PRO A 61 1.910 -33.906 -6.417 1.00 0.00 O ATOM 970 CB PRO A 61 2.084 -34.768 -9.482 1.00 0.00 C ATOM 971 CG PRO A 61 2.940 -34.055 -10.472 1.00 0.00 C ATOM 972 CD PRO A 61 2.159 -32.843 -10.891 1.00 0.00 C ATOM 0 HA PRO A 61 0.344 -33.923 -8.424 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.683 -35.374 -8.803 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.383 -35.441 -9.975 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.895 -33.771 -10.030 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.162 -34.692 -11.328 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.813 -32.014 -11.162 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.529 -33.048 -11.756 1.00 0.00 H new ATOM 980 N LYS A 62 2.946 -32.301 -7.502 1.00 0.00 N ATOM 981 CA LYS A 62 3.697 -31.900 -6.282 1.00 0.00 C ATOM 982 C LYS A 62 2.737 -31.233 -5.296 1.00 0.00 C ATOM 983 O LYS A 62 2.933 -31.275 -4.097 1.00 0.00 O ATOM 984 CB LYS A 62 4.802 -30.913 -6.665 1.00 0.00 C ATOM 985 CG LYS A 62 5.669 -30.616 -5.439 1.00 0.00 C ATOM 986 CD LYS A 62 6.718 -29.562 -5.799 1.00 0.00 C ATOM 987 CE LYS A 62 7.677 -29.373 -4.623 1.00 0.00 C ATOM 988 NZ LYS A 62 7.701 -27.936 -4.227 1.00 0.00 N ATOM 0 H LYS A 62 3.148 -31.752 -8.337 1.00 0.00 H new ATOM 0 HA LYS A 62 4.143 -32.781 -5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.415 -31.329 -7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.364 -29.990 -7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.047 -30.260 -4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.157 -31.528 -5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.270 -29.872 -6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.231 -28.617 -6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.362 -29.988 -3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.679 -29.702 -4.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.353 -27.807 -3.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.021 -27.360 -5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.745 -27.637 -3.946 1.00 0.00 H new ATOM 1002 N THR A 63 1.694 -30.622 -5.791 1.00 0.00 N ATOM 1003 CA THR A 63 0.720 -29.957 -4.881 1.00 0.00 C ATOM 1004 C THR A 63 -0.089 -31.024 -4.142 1.00 0.00 C ATOM 1005 O THR A 63 -0.382 -30.894 -2.970 1.00 0.00 O ATOM 1006 CB THR A 63 -0.224 -29.073 -5.699 1.00 0.00 C ATOM 1007 OG1 THR A 63 0.539 -28.155 -6.470 1.00 0.00 O ATOM 1008 CG2 THR A 63 -1.149 -28.304 -4.754 1.00 0.00 C ATOM 0 H THR A 63 1.475 -30.555 -6.785 1.00 0.00 H new ATOM 0 HA THR A 63 1.256 -29.340 -4.160 1.00 0.00 H new ATOM 0 HB THR A 63 -0.823 -29.696 -6.364 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.048 -27.450 -6.815 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.822 -27.674 -5.336 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.733 -29.009 -4.163 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.552 -27.680 -4.089 1.00 0.00 H new ATOM 1016 N ILE A 64 -0.449 -32.080 -4.818 1.00 0.00 N ATOM 1017 CA ILE A 64 -1.236 -33.156 -4.154 1.00 0.00 C ATOM 1018 C ILE A 64 -0.383 -33.807 -3.063 1.00 0.00 C ATOM 1019 O ILE A 64 -0.855 -34.094 -1.981 1.00 0.00 O ATOM 1020 CB ILE A 64 -1.634 -34.212 -5.189 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -2.462 -33.555 -6.295 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -2.462 -35.304 -4.511 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -2.688 -34.558 -7.427 1.00 0.00 C ATOM 0 H ILE A 64 -0.232 -32.244 -5.801 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.135 -32.729 -3.709 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.736 -34.654 -5.621 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.419 -33.219 -5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.947 -32.672 -6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.745 -36.056 -5.248 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.872 -35.772 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.360 -34.864 -4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.278 -34.090 -8.215 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.726 -34.873 -7.832 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.221 -35.427 -7.042 1.00 0.00 H new ATOM 1035 N ASP A 65 0.871 -34.038 -3.338 1.00 0.00 N ATOM 1036 CA ASP A 65 1.754 -34.667 -2.316 1.00 0.00 C ATOM 1037 C ASP A 65 1.779 -33.793 -1.061 1.00 0.00 C ATOM 1038 O ASP A 65 1.621 -34.273 0.045 1.00 0.00 O ATOM 1039 CB ASP A 65 3.172 -34.797 -2.876 1.00 0.00 C ATOM 1040 CG ASP A 65 3.168 -35.782 -4.048 1.00 0.00 C ATOM 1041 OD1 ASP A 65 2.182 -36.482 -4.205 1.00 0.00 O ATOM 1042 OD2 ASP A 65 4.153 -35.819 -4.768 1.00 0.00 O ATOM 0 H ASP A 65 1.322 -33.818 -4.226 1.00 0.00 H new ATOM 0 HA ASP A 65 1.372 -35.656 -2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.535 -33.824 -3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.852 -35.144 -2.098 1.00 0.00 H new ATOM 1047 N ALA A 66 1.975 -32.512 -1.221 1.00 0.00 N ATOM 1048 CA ALA A 66 2.008 -31.611 -0.036 1.00 0.00 C ATOM 1049 C ALA A 66 0.671 -31.697 0.704 1.00 0.00 C ATOM 1050 O ALA A 66 0.617 -31.630 1.916 1.00 0.00 O ATOM 1051 CB ALA A 66 2.245 -30.171 -0.495 1.00 0.00 C ATOM 0 H ALA A 66 2.113 -32.052 -2.121 1.00 0.00 H new ATOM 0 HA ALA A 66 2.815 -31.916 0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.269 -29.512 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.196 -30.110 -1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.439 -29.864 -1.161 1.00 0.00 H new ATOM 1057 N LEU A 67 -0.407 -31.845 -0.016 1.00 0.00 N ATOM 1058 CA LEU A 67 -1.739 -31.935 0.648 1.00 0.00 C ATOM 1059 C LEU A 67 -1.807 -33.220 1.476 1.00 0.00 C ATOM 1060 O LEU A 67 -2.306 -33.230 2.583 1.00 0.00 O ATOM 1061 CB LEU A 67 -2.839 -31.952 -0.418 1.00 0.00 C ATOM 1062 CG LEU A 67 -4.214 -31.885 0.254 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -4.548 -33.243 0.874 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -4.203 -30.813 1.347 1.00 0.00 C ATOM 0 H LEU A 67 -0.424 -31.907 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.881 -31.074 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.714 -31.108 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.762 -32.858 -1.019 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.967 -31.631 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.526 -33.194 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.562 -34.005 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.793 -33.499 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.183 -30.768 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.448 -31.062 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.970 -29.845 0.904 1.00 0.00 H new ATOM 1076 N MET A 68 -1.311 -34.305 0.948 1.00 0.00 N ATOM 1077 CA MET A 68 -1.348 -35.587 1.706 1.00 0.00 C ATOM 1078 C MET A 68 -0.462 -35.470 2.947 1.00 0.00 C ATOM 1079 O MET A 68 -0.697 -36.111 3.953 1.00 0.00 O ATOM 1080 CB MET A 68 -0.833 -36.721 0.817 1.00 0.00 C ATOM 1081 CG MET A 68 -1.878 -37.044 -0.252 1.00 0.00 C ATOM 1082 SD MET A 68 -1.346 -38.495 -1.197 1.00 0.00 S ATOM 1083 CE MET A 68 0.218 -37.811 -1.799 1.00 0.00 C ATOM 0 H MET A 68 -0.882 -34.359 0.024 1.00 0.00 H new ATOM 0 HA MET A 68 -2.373 -35.800 2.009 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.107 -36.431 0.347 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.628 -37.606 1.420 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.844 -37.235 0.215 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.009 -36.191 -0.918 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.648 -38.484 -2.541 1.00 0.00 H new ATOM 0 HE2 MET A 68 0.038 -36.837 -2.253 1.00 0.00 H new ATOM 0 HE3 MET A 68 0.912 -37.700 -0.965 1.00 0.00 H new ATOM 1093 N ARG A 69 0.557 -34.656 2.885 1.00 0.00 N ATOM 1094 CA ARG A 69 1.457 -34.498 4.062 1.00 0.00 C ATOM 1095 C ARG A 69 0.783 -33.602 5.103 1.00 0.00 C ATOM 1096 O ARG A 69 1.028 -33.717 6.287 1.00 0.00 O ATOM 1097 CB ARG A 69 2.774 -33.859 3.614 1.00 0.00 C ATOM 1098 CG ARG A 69 3.510 -34.814 2.673 1.00 0.00 C ATOM 1099 CD ARG A 69 4.881 -34.232 2.324 1.00 0.00 C ATOM 1100 NE ARG A 69 5.523 -35.069 1.271 1.00 0.00 N ATOM 1101 CZ ARG A 69 6.824 -35.136 1.194 1.00 0.00 C ATOM 1102 NH1 ARG A 69 7.561 -34.267 1.828 1.00 0.00 N ATOM 1103 NH2 ARG A 69 7.386 -36.074 0.481 1.00 0.00 N ATOM 0 H ARG A 69 0.805 -34.094 2.070 1.00 0.00 H new ATOM 0 HA ARG A 69 1.658 -35.476 4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.578 -32.913 3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.395 -33.635 4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.627 -35.789 3.146 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.927 -34.968 1.765 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.773 -33.206 1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.511 -34.200 3.213 1.00 0.00 H new ATOM 0 HE ARG A 69 4.946 -35.589 0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.121 -33.534 2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.578 -34.320 1.767 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.808 -36.753 -0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.403 -36.128 0.420 1.00 0.00 H new ATOM 1117 N ILE A 70 -0.065 -32.710 4.670 1.00 0.00 N ATOM 1118 CA ILE A 70 -0.756 -31.808 5.634 1.00 0.00 C ATOM 1119 C ILE A 70 -2.243 -32.166 5.693 1.00 0.00 C ATOM 1120 O ILE A 70 -2.883 -32.364 4.680 1.00 0.00 O ATOM 1121 CB ILE A 70 -0.598 -30.358 5.179 1.00 0.00 C ATOM 1122 CG1 ILE A 70 0.886 -30.033 5.009 1.00 0.00 C ATOM 1123 CG2 ILE A 70 -1.209 -29.424 6.225 1.00 0.00 C ATOM 1124 CD1 ILE A 70 1.037 -28.648 4.376 1.00 0.00 C ATOM 0 H ILE A 70 -0.309 -32.567 3.690 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.315 -31.928 6.623 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.110 -30.220 4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.388 -30.059 5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.364 -30.785 4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.096 -28.390 5.900 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.268 -29.653 6.343 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.699 -29.562 7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.095 -28.417 4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.550 -28.638 3.401 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.574 -27.901 5.020 1.00 0.00 H new ATOM 1136 N ASN A 71 -2.796 -32.248 6.872 1.00 0.00 N ATOM 1137 CA ASN A 71 -4.241 -32.593 6.993 1.00 0.00 C ATOM 1138 C ASN A 71 -5.032 -31.346 7.394 1.00 0.00 C ATOM 1139 O ASN A 71 -4.672 -30.641 8.315 1.00 0.00 O ATOM 1140 CB ASN A 71 -4.420 -33.675 8.059 1.00 0.00 C ATOM 1141 CG ASN A 71 -5.843 -34.231 7.988 1.00 0.00 C ATOM 1142 OD1 ASN A 71 -6.232 -34.814 6.996 1.00 0.00 O ATOM 1143 ND2 ASN A 71 -6.644 -34.074 9.008 1.00 0.00 N ATOM 0 H ASN A 71 -2.311 -32.091 7.755 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.607 -32.963 6.035 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.697 -34.476 7.904 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.229 -33.260 9.049 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.595 -34.441 8.971 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.318 -33.585 9.842 1.00 0.00 H new ATOM 1150 N LEU A 72 -6.107 -31.069 6.708 1.00 0.00 N ATOM 1151 CA LEU A 72 -6.920 -29.868 7.052 1.00 0.00 C ATOM 1152 C LEU A 72 -7.145 -29.821 8.565 1.00 0.00 C ATOM 1153 O LEU A 72 -7.298 -30.839 9.210 1.00 0.00 O ATOM 1154 CB LEU A 72 -8.270 -29.946 6.337 1.00 0.00 C ATOM 1155 CG LEU A 72 -8.433 -28.732 5.420 1.00 0.00 C ATOM 1156 CD1 LEU A 72 -8.114 -29.136 3.979 1.00 0.00 C ATOM 1157 CD2 LEU A 72 -9.873 -28.222 5.499 1.00 0.00 C ATOM 0 H LEU A 72 -6.457 -31.621 5.925 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.393 -28.968 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.333 -30.866 5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.079 -29.975 7.067 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.751 -27.943 5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.230 -28.272 3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.088 -29.500 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.797 -29.925 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.989 -27.357 4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.556 -29.010 5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.101 -27.935 6.525 1.00 0.00 H new ATOM 1169 N PRO A 73 -7.166 -28.608 9.137 1.00 0.00 N ATOM 1170 CA PRO A 73 -7.372 -28.414 10.577 1.00 0.00 C ATOM 1171 C PRO A 73 -8.806 -28.752 10.998 1.00 0.00 C ATOM 1172 O PRO A 73 -9.742 -28.579 10.241 1.00 0.00 O ATOM 1173 CB PRO A 73 -7.106 -26.923 10.779 1.00 0.00 C ATOM 1174 CG PRO A 73 -7.386 -26.309 9.450 1.00 0.00 C ATOM 1175 CD PRO A 73 -6.990 -27.331 8.423 1.00 0.00 C ATOM 0 HA PRO A 73 -6.727 -29.060 11.173 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.751 -26.506 11.552 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.077 -26.742 11.091 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.441 -26.051 9.355 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.819 -25.387 9.320 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.620 -27.275 7.535 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.961 -27.192 8.093 1.00 0.00 H new ATOM 1183 N ALA A 74 -8.986 -29.230 12.197 1.00 0.00 N ATOM 1184 CA ALA A 74 -10.358 -29.578 12.665 1.00 0.00 C ATOM 1185 C ALA A 74 -11.211 -28.310 12.726 1.00 0.00 C ATOM 1186 O ALA A 74 -10.710 -27.221 12.921 1.00 0.00 O ATOM 1187 CB ALA A 74 -10.278 -30.207 14.056 1.00 0.00 C ATOM 0 H ALA A 74 -8.242 -29.395 12.875 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.810 -30.288 11.972 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.281 -30.462 14.398 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.669 -31.110 14.012 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.827 -29.498 14.750 1.00 0.00 H new ATOM 1193 N GLY A 75 -12.500 -28.443 12.561 1.00 0.00 N ATOM 1194 CA GLY A 75 -13.384 -27.245 12.611 1.00 0.00 C ATOM 1195 C GLY A 75 -13.737 -26.807 11.187 1.00 0.00 C ATOM 1196 O GLY A 75 -14.507 -25.890 10.983 1.00 0.00 O ATOM 0 H GLY A 75 -12.977 -29.329 12.394 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.293 -27.474 13.168 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.883 -26.433 13.138 1.00 0.00 H new ATOM 1200 N VAL A 76 -13.181 -27.455 10.200 1.00 0.00 N ATOM 1201 CA VAL A 76 -13.487 -27.072 8.792 1.00 0.00 C ATOM 1202 C VAL A 76 -13.997 -28.297 8.030 1.00 0.00 C ATOM 1203 O VAL A 76 -13.613 -29.417 8.306 1.00 0.00 O ATOM 1204 CB VAL A 76 -12.218 -26.545 8.119 1.00 0.00 C ATOM 1205 CG1 VAL A 76 -12.547 -26.088 6.696 1.00 0.00 C ATOM 1206 CG2 VAL A 76 -11.670 -25.363 8.920 1.00 0.00 C ATOM 0 H VAL A 76 -12.529 -28.232 10.307 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.251 -26.295 8.785 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.470 -27.337 8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -11.643 -25.712 6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.938 -26.930 6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -13.295 -25.296 6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.766 -24.987 8.441 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.418 -24.571 8.957 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.435 -25.688 9.934 1.00 0.00 H new ATOM 1216 N ASP A 77 -14.861 -28.095 7.074 1.00 0.00 N ATOM 1217 CA ASP A 77 -15.395 -29.249 6.295 1.00 0.00 C ATOM 1218 C ASP A 77 -15.008 -29.094 4.823 1.00 0.00 C ATOM 1219 O ASP A 77 -14.740 -28.006 4.353 1.00 0.00 O ATOM 1220 CB ASP A 77 -16.919 -29.287 6.422 1.00 0.00 C ATOM 1221 CG ASP A 77 -17.303 -29.597 7.869 1.00 0.00 C ATOM 1222 OD1 ASP A 77 -16.432 -30.011 8.617 1.00 0.00 O ATOM 1223 OD2 ASP A 77 -18.462 -29.417 8.206 1.00 0.00 O ATOM 0 H ASP A 77 -15.221 -27.181 6.798 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.975 -30.176 6.684 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -17.344 -28.330 6.119 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -17.331 -30.044 5.755 1.00 0.00 H new