USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 HIS : no HD1:sc= -0.866 K(o=-0.87,f=-0.074) USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot -70:sc= 1.88 USER MOD Set 2.2: A 32 THR OG1 : rot 25:sc= 0.878 USER MOD Single : A 1 GLY N :NH3+ -152:sc= 0.65 (180deg=0.282) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 40:sc= 0.398 USER MOD Single : A 8 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.43) USER MOD Single : A 12 MET CE :methyl -169:sc= -0.257 (180deg=-0.742) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= 1.54 (180deg=0.408) USER MOD Single : A 21 GLN : amide:sc= -0.0876 X(o=-0.088,f=0) USER MOD Single : A 26 THR OG1 : rot -170:sc= 0.0312 USER MOD Single : A 34 GLN : amide:sc= -2.35! C(o=-2.3!,f=-4.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0263 K(o=-0.026,f=-0.64) USER MOD Single : A 43 GLN : amide:sc= -0.0308 X(o=-0.031,f=-0.31) USER MOD Single : A 45 CYS SG : rot -151:sc= 1.13 USER MOD Single : A 49 CYS SG : rot 55:sc= 0.821 USER MOD Single : A 58 ASN : amide:sc= 0.37 K(o=0.37,f=-8.9!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.94! K(o=-0.94!,f=-0.022) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.203 K(o=-0.2,f=-0.75) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= -0.0286 (180deg=-0.0892) USER MOD Single : A 77 CYS SG : rot 59:sc= 0.718 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.062 27.360 -17.978 1.00 0.00 N ATOM 2 CA GLY A 1 -5.880 26.657 -19.258 1.00 0.00 C ATOM 3 C GLY A 1 -5.130 25.393 -18.926 1.00 0.00 C ATOM 4 O GLY A 1 -4.038 25.506 -18.378 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.922 27.944 -18.022 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.154 26.665 -17.210 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.239 27.969 -17.796 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.841 26.432 -19.721 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.321 27.270 -19.965 1.00 0.00 H new ATOM 8 N SER A 2 -5.790 24.239 -19.067 1.00 0.00 N ATOM 9 CA SER A 2 -5.664 23.155 -18.088 1.00 0.00 C ATOM 10 C SER A 2 -5.938 23.679 -16.661 1.00 0.00 C ATOM 11 O SER A 2 -6.287 24.856 -16.477 1.00 0.00 O ATOM 12 CB SER A 2 -4.310 22.440 -18.248 1.00 0.00 C ATOM 13 OG SER A 2 -4.121 22.100 -19.610 1.00 0.00 O ATOM 0 H SER A 2 -6.415 24.032 -19.846 1.00 0.00 H new ATOM 0 HA SER A 2 -6.424 22.397 -18.276 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.501 23.086 -17.907 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.284 21.543 -17.630 1.00 0.00 H new ATOM 0 HG SER A 2 -3.259 21.646 -19.717 1.00 0.00 H new ATOM 19 N SER A 3 -5.831 22.814 -15.657 1.00 0.00 N ATOM 20 CA SER A 3 -5.888 23.181 -14.247 1.00 0.00 C ATOM 21 C SER A 3 -4.906 22.338 -13.416 1.00 0.00 C ATOM 22 O SER A 3 -4.466 22.791 -12.360 1.00 0.00 O ATOM 23 CB SER A 3 -7.345 23.035 -13.779 1.00 0.00 C ATOM 24 OG SER A 3 -7.585 23.728 -12.570 1.00 0.00 O ATOM 0 H SER A 3 -5.699 21.814 -15.806 1.00 0.00 H new ATOM 0 HA SER A 3 -5.576 24.216 -14.106 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.014 23.413 -14.552 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.578 21.979 -13.644 1.00 0.00 H new ATOM 0 HG SER A 3 -8.522 23.612 -12.307 1.00 0.00 H new ATOM 30 N GLY A 4 -4.525 21.154 -13.902 1.00 0.00 N ATOM 31 CA GLY A 4 -3.515 20.271 -13.336 1.00 0.00 C ATOM 32 C GLY A 4 -3.078 19.295 -14.428 1.00 0.00 C ATOM 33 O GLY A 4 -3.406 19.496 -15.602 1.00 0.00 O ATOM 0 H GLY A 4 -4.940 20.768 -14.750 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.663 20.847 -12.976 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.918 19.730 -12.480 1.00 0.00 H new ATOM 37 N SER A 5 -2.328 18.257 -14.058 1.00 0.00 N ATOM 38 CA SER A 5 -1.875 17.214 -14.972 1.00 0.00 C ATOM 39 C SER A 5 -2.696 15.935 -14.764 1.00 0.00 C ATOM 40 O SER A 5 -2.965 15.529 -13.626 1.00 0.00 O ATOM 41 CB SER A 5 -0.363 16.990 -14.790 1.00 0.00 C ATOM 42 OG SER A 5 0.002 16.895 -13.422 1.00 0.00 O ATOM 0 H SER A 5 -2.014 18.117 -13.098 1.00 0.00 H new ATOM 0 HA SER A 5 -2.035 17.524 -16.005 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.067 16.078 -15.308 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.183 17.811 -15.254 1.00 0.00 H new ATOM 0 HG SER A 5 0.969 16.751 -13.351 1.00 0.00 H new ATOM 48 N SER A 6 -3.074 15.290 -15.868 1.00 0.00 N ATOM 49 CA SER A 6 -3.681 13.969 -15.881 1.00 0.00 C ATOM 50 C SER A 6 -2.576 12.930 -15.670 1.00 0.00 C ATOM 51 O SER A 6 -1.747 12.752 -16.570 1.00 0.00 O ATOM 52 CB SER A 6 -4.408 13.769 -17.218 1.00 0.00 C ATOM 53 OG SER A 6 -3.557 14.083 -18.314 1.00 0.00 O ATOM 0 H SER A 6 -2.961 15.687 -16.801 1.00 0.00 H new ATOM 0 HA SER A 6 -4.415 13.859 -15.082 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.747 12.736 -17.301 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.296 14.400 -17.251 1.00 0.00 H new ATOM 0 HG SER A 6 -2.652 13.756 -18.129 1.00 0.00 H new ATOM 59 N GLY A 7 -2.532 12.291 -14.502 1.00 0.00 N ATOM 60 CA GLY A 7 -1.542 11.276 -14.159 1.00 0.00 C ATOM 61 C GLY A 7 -1.793 9.953 -14.886 1.00 0.00 C ATOM 62 O GLY A 7 -2.526 9.895 -15.882 1.00 0.00 O ATOM 0 H GLY A 7 -3.200 12.470 -13.752 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.547 11.643 -14.410 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.557 11.105 -13.083 1.00 0.00 H new ATOM 66 N GLN A 8 -1.167 8.888 -14.383 1.00 0.00 N ATOM 67 CA GLN A 8 -1.376 7.510 -14.817 1.00 0.00 C ATOM 68 C GLN A 8 -1.729 6.641 -13.606 1.00 0.00 C ATOM 69 O GLN A 8 -2.013 7.173 -12.525 1.00 0.00 O ATOM 70 CB GLN A 8 -0.139 7.014 -15.595 1.00 0.00 C ATOM 71 CG GLN A 8 -0.514 6.105 -16.775 1.00 0.00 C ATOM 72 CD GLN A 8 -1.349 6.878 -17.792 1.00 0.00 C ATOM 73 OE1 GLN A 8 -0.853 7.769 -18.475 1.00 0.00 O ATOM 74 NE2 GLN A 8 -2.637 6.603 -17.906 1.00 0.00 N ATOM 0 H GLN A 8 -0.477 8.966 -13.636 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.218 7.445 -15.506 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.422 7.872 -15.965 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.520 6.471 -14.917 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.389 5.723 -17.251 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.074 5.242 -16.415 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.053 5.863 -17.340 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.215 7.131 -18.560 1.00 0.00 H new ATOM 83 N ALA A 9 -1.796 5.324 -13.782 1.00 0.00 N ATOM 84 CA ALA A 9 -2.006 4.354 -12.721 1.00 0.00 C ATOM 85 C ALA A 9 -1.065 3.185 -12.974 1.00 0.00 C ATOM 86 O ALA A 9 -0.709 2.905 -14.121 1.00 0.00 O ATOM 87 CB ALA A 9 -3.465 3.891 -12.707 1.00 0.00 C ATOM 0 H ALA A 9 -1.702 4.892 -14.701 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.797 4.796 -11.747 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.608 3.164 -11.907 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.117 4.748 -12.540 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.710 3.430 -13.664 1.00 0.00 H new ATOM 93 N GLU A 10 -0.669 2.514 -11.899 1.00 0.00 N ATOM 94 CA GLU A 10 0.298 1.435 -11.902 1.00 0.00 C ATOM 95 C GLU A 10 0.106 0.638 -10.607 1.00 0.00 C ATOM 96 O GLU A 10 0.283 1.162 -9.504 1.00 0.00 O ATOM 97 CB GLU A 10 1.740 1.958 -12.094 1.00 0.00 C ATOM 98 CG GLU A 10 2.174 3.195 -11.280 1.00 0.00 C ATOM 99 CD GLU A 10 1.559 4.519 -11.753 1.00 0.00 C ATOM 100 OE1 GLU A 10 1.800 4.918 -12.910 1.00 0.00 O ATOM 101 OE2 GLU A 10 0.902 5.198 -10.927 1.00 0.00 O ATOM 0 H GLU A 10 -1.030 2.719 -10.967 1.00 0.00 H new ATOM 0 HA GLU A 10 0.133 0.773 -12.752 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.425 1.144 -11.857 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.874 2.189 -13.151 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.906 3.038 -10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.260 3.279 -11.322 1.00 0.00 H new ATOM 108 N LEU A 11 -0.306 -0.622 -10.747 1.00 0.00 N ATOM 109 CA LEU A 11 -0.483 -1.622 -9.691 1.00 0.00 C ATOM 110 C LEU A 11 0.154 -2.917 -10.200 1.00 0.00 C ATOM 111 O LEU A 11 0.438 -3.018 -11.402 1.00 0.00 O ATOM 112 CB LEU A 11 -1.973 -1.881 -9.409 1.00 0.00 C ATOM 113 CG LEU A 11 -2.760 -0.637 -8.948 1.00 0.00 C ATOM 114 CD1 LEU A 11 -3.772 -0.252 -10.034 1.00 0.00 C ATOM 115 CD2 LEU A 11 -3.463 -0.898 -7.615 1.00 0.00 C ATOM 0 H LEU A 11 -0.542 -0.998 -11.665 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.025 -1.269 -8.767 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.438 -2.276 -10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.057 -2.653 -8.644 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.066 0.190 -8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.332 0.627 -9.714 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.244 -0.028 -10.961 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.461 -1.080 -10.200 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.011 -0.006 -7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.158 -1.730 -7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.722 -1.144 -6.855 1.00 0.00 H new ATOM 127 N MET A 12 0.274 -3.944 -9.357 1.00 0.00 N ATOM 128 CA MET A 12 0.569 -5.306 -9.805 1.00 0.00 C ATOM 129 C MET A 12 -0.651 -6.190 -9.585 1.00 0.00 C ATOM 130 O MET A 12 -1.461 -5.945 -8.694 1.00 0.00 O ATOM 131 CB MET A 12 1.800 -5.888 -9.098 1.00 0.00 C ATOM 132 CG MET A 12 3.094 -5.279 -9.640 1.00 0.00 C ATOM 133 SD MET A 12 4.605 -6.230 -9.322 1.00 0.00 S ATOM 134 CE MET A 12 4.532 -6.357 -7.525 1.00 0.00 C ATOM 0 H MET A 12 0.170 -3.855 -8.346 1.00 0.00 H new ATOM 0 HA MET A 12 0.803 -5.272 -10.869 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.729 -5.701 -8.027 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.821 -6.970 -9.232 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.989 -5.148 -10.717 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.215 -4.285 -9.209 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.480 -6.740 -7.149 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.344 -5.372 -7.098 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.728 -7.036 -7.241 1.00 0.00 H new ATOM 144 N THR A 13 -0.769 -7.245 -10.382 1.00 0.00 N ATOM 145 CA THR A 13 -1.857 -8.204 -10.365 1.00 0.00 C ATOM 146 C THR A 13 -1.201 -9.577 -10.377 1.00 0.00 C ATOM 147 O THR A 13 -0.436 -9.902 -11.289 1.00 0.00 O ATOM 148 CB THR A 13 -2.766 -7.950 -11.573 1.00 0.00 C ATOM 149 OG1 THR A 13 -3.299 -6.642 -11.519 1.00 0.00 O ATOM 150 CG2 THR A 13 -3.911 -8.951 -11.710 1.00 0.00 C ATOM 0 H THR A 13 -0.070 -7.462 -11.093 1.00 0.00 H new ATOM 0 HA THR A 13 -2.497 -8.122 -9.486 1.00 0.00 H new ATOM 0 HB THR A 13 -2.130 -8.074 -12.450 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.876 -6.492 -12.297 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.508 -8.703 -12.588 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.504 -9.956 -11.820 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.539 -8.909 -10.820 1.00 0.00 H new ATOM 158 N LEU A 14 -1.470 -10.369 -9.346 1.00 0.00 N ATOM 159 CA LEU A 14 -0.873 -11.678 -9.104 1.00 0.00 C ATOM 160 C LEU A 14 -2.008 -12.684 -8.906 1.00 0.00 C ATOM 161 O LEU A 14 -3.171 -12.290 -8.762 1.00 0.00 O ATOM 162 CB LEU A 14 0.051 -11.629 -7.872 1.00 0.00 C ATOM 163 CG LEU A 14 1.136 -10.532 -7.887 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.844 -10.471 -6.532 1.00 0.00 C ATOM 165 CD2 LEU A 14 2.178 -10.752 -8.987 1.00 0.00 C ATOM 0 H LEU A 14 -2.140 -10.105 -8.623 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.259 -11.980 -9.953 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.566 -11.490 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.542 -12.597 -7.771 1.00 0.00 H new ATOM 0 HG LEU A 14 0.627 -9.590 -8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.607 -9.693 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.118 -10.244 -5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.312 -11.433 -6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.918 -9.952 -8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.673 -11.711 -8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.686 -10.750 -9.960 1.00 0.00 H new ATOM 177 N THR A 15 -1.679 -13.974 -8.908 1.00 0.00 N ATOM 178 CA THR A 15 -2.661 -15.041 -8.792 1.00 0.00 C ATOM 179 C THR A 15 -2.130 -16.052 -7.781 1.00 0.00 C ATOM 180 O THR A 15 -0.926 -16.313 -7.755 1.00 0.00 O ATOM 181 CB THR A 15 -2.887 -15.684 -10.168 1.00 0.00 C ATOM 182 OG1 THR A 15 -3.047 -14.707 -11.182 1.00 0.00 O ATOM 183 CG2 THR A 15 -4.133 -16.570 -10.159 1.00 0.00 C ATOM 0 H THR A 15 -0.718 -14.306 -8.991 1.00 0.00 H new ATOM 0 HA THR A 15 -3.622 -14.659 -8.449 1.00 0.00 H new ATOM 0 HB THR A 15 -2.002 -16.284 -10.379 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.187 -15.151 -12.045 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.271 -17.014 -11.145 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.012 -17.361 -9.419 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.006 -15.968 -9.907 1.00 0.00 H new ATOM 191 N ILE A 16 -3.020 -16.610 -6.960 1.00 0.00 N ATOM 192 CA ILE A 16 -2.701 -17.539 -5.891 1.00 0.00 C ATOM 193 C ILE A 16 -3.713 -18.677 -5.837 1.00 0.00 C ATOM 194 O ILE A 16 -4.881 -18.482 -6.160 1.00 0.00 O ATOM 195 CB ILE A 16 -2.663 -16.793 -4.544 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.932 -16.032 -4.127 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.532 -15.771 -4.514 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.812 -15.498 -2.702 1.00 0.00 C ATOM 0 H ILE A 16 -4.019 -16.416 -7.029 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.720 -17.970 -6.089 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.532 -17.615 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.106 -15.204 -4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.796 -16.693 -4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.529 -15.260 -3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.578 -16.279 -4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.679 -15.043 -5.311 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.724 -14.965 -2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.663 -16.330 -2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.962 -14.818 -2.639 1.00 0.00 H new ATOM 210 N VAL A 17 -3.302 -19.849 -5.373 1.00 0.00 N ATOM 211 CA VAL A 17 -4.116 -21.022 -5.152 1.00 0.00 C ATOM 212 C VAL A 17 -3.701 -21.673 -3.830 1.00 0.00 C ATOM 213 O VAL A 17 -2.598 -21.472 -3.321 1.00 0.00 O ATOM 214 CB VAL A 17 -4.051 -21.894 -6.418 1.00 0.00 C ATOM 215 CG1 VAL A 17 -2.740 -21.879 -7.207 1.00 0.00 C ATOM 216 CG2 VAL A 17 -4.579 -23.329 -6.269 1.00 0.00 C ATOM 0 H VAL A 17 -2.325 -20.009 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.175 -20.804 -5.016 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.768 -21.350 -7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.829 -22.534 -8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.528 -20.863 -7.541 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.928 -22.229 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.485 -23.852 -7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.000 -23.853 -5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.627 -23.302 -5.972 1.00 0.00 H new ATOM 226 N LYS A 18 -4.657 -22.374 -3.228 1.00 0.00 N ATOM 227 CA LYS A 18 -4.837 -22.489 -1.788 1.00 0.00 C ATOM 228 C LYS A 18 -4.561 -23.928 -1.366 1.00 0.00 C ATOM 229 O LYS A 18 -5.352 -24.825 -1.666 1.00 0.00 O ATOM 230 CB LYS A 18 -6.279 -22.034 -1.551 1.00 0.00 C ATOM 231 CG LYS A 18 -6.727 -21.758 -0.125 1.00 0.00 C ATOM 232 CD LYS A 18 -8.186 -21.280 -0.167 1.00 0.00 C ATOM 233 CE LYS A 18 -8.672 -20.896 1.224 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.101 -21.207 1.387 1.00 0.00 N ATOM 0 H LYS A 18 -5.356 -22.899 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.155 -21.882 -1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.439 -21.125 -2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.939 -22.796 -1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.639 -22.659 0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.091 -21.001 0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.273 -20.424 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.820 -22.068 -0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.092 -21.430 1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.506 -19.832 1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.578 -20.412 1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.531 -21.365 0.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.206 -22.065 1.966 1.00 0.00 H new ATOM 248 N GLY A 19 -3.419 -24.173 -0.737 1.00 0.00 N ATOM 249 CA GLY A 19 -2.833 -25.491 -0.521 1.00 0.00 C ATOM 250 C GLY A 19 -3.317 -26.142 0.768 1.00 0.00 C ATOM 251 O GLY A 19 -2.507 -26.481 1.634 1.00 0.00 O ATOM 0 H GLY A 19 -2.849 -23.424 -0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.078 -26.137 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.747 -25.402 -0.493 1.00 0.00 H new ATOM 255 N ALA A 20 -4.627 -26.381 0.867 1.00 0.00 N ATOM 256 CA ALA A 20 -5.380 -26.795 2.052 1.00 0.00 C ATOM 257 C ALA A 20 -5.322 -25.755 3.175 1.00 0.00 C ATOM 258 O ALA A 20 -4.352 -25.015 3.317 1.00 0.00 O ATOM 259 CB ALA A 20 -4.947 -28.175 2.565 1.00 0.00 C ATOM 0 H ALA A 20 -5.237 -26.282 0.055 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.419 -26.873 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.535 -28.437 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.108 -28.920 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.890 -28.150 2.829 1.00 0.00 H new ATOM 265 N GLN A 21 -6.353 -25.726 4.028 1.00 0.00 N ATOM 266 CA GLN A 21 -6.506 -24.869 5.214 1.00 0.00 C ATOM 267 C GLN A 21 -6.623 -23.363 4.933 1.00 0.00 C ATOM 268 O GLN A 21 -7.217 -22.639 5.733 1.00 0.00 O ATOM 269 CB GLN A 21 -5.377 -25.113 6.234 1.00 0.00 C ATOM 270 CG GLN A 21 -4.979 -26.582 6.480 1.00 0.00 C ATOM 271 CD GLN A 21 -3.709 -26.673 7.319 1.00 0.00 C ATOM 272 OE1 GLN A 21 -3.698 -27.283 8.387 1.00 0.00 O ATOM 273 NE2 GLN A 21 -2.614 -26.098 6.853 1.00 0.00 N ATOM 0 H GLN A 21 -7.157 -26.341 3.901 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.468 -25.172 5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -4.492 -24.571 5.900 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.677 -24.677 7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.792 -27.102 6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.825 -27.085 5.525 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.640 -25.596 5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.743 -26.156 7.381 1.00 0.00 H new ATOM 282 N GLY A 22 -6.093 -22.880 3.819 1.00 0.00 N ATOM 283 CA GLY A 22 -5.739 -21.495 3.609 1.00 0.00 C ATOM 284 C GLY A 22 -4.629 -21.481 2.571 1.00 0.00 C ATOM 285 O GLY A 22 -4.444 -22.465 1.851 1.00 0.00 O ATOM 0 H GLY A 22 -5.893 -23.468 3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.600 -20.924 3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.405 -21.036 4.539 1.00 0.00 H new ATOM 289 N PHE A 23 -3.932 -20.358 2.461 1.00 0.00 N ATOM 290 CA PHE A 23 -2.920 -20.165 1.430 1.00 0.00 C ATOM 291 C PHE A 23 -1.500 -20.327 1.979 1.00 0.00 C ATOM 292 O PHE A 23 -0.538 -19.872 1.361 1.00 0.00 O ATOM 293 CB PHE A 23 -3.108 -18.790 0.797 1.00 0.00 C ATOM 294 CG PHE A 23 -4.370 -18.608 -0.008 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.581 -18.275 0.628 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.310 -18.707 -1.410 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.729 -18.034 -0.139 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.453 -18.439 -2.177 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.661 -18.085 -1.538 1.00 0.00 C ATOM 0 H PHE A 23 -4.051 -19.557 3.082 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.048 -20.938 0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.093 -18.041 1.589 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.254 -18.588 0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.625 -18.205 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.387 -18.989 -1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.666 -17.809 0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.409 -18.503 -3.254 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.535 -17.853 -2.129 1.00 0.00 H new ATOM 309 N GLY A 24 -1.348 -20.863 3.192 1.00 0.00 N ATOM 310 CA GLY A 24 -0.092 -20.914 3.920 1.00 0.00 C ATOM 311 C GLY A 24 0.296 -19.533 4.430 1.00 0.00 C ATOM 312 O GLY A 24 0.311 -19.309 5.642 1.00 0.00 O ATOM 0 H GLY A 24 -2.123 -21.284 3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.181 -21.604 4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.694 -21.301 3.271 1.00 0.00 H new ATOM 316 N PHE A 25 0.598 -18.600 3.520 1.00 0.00 N ATOM 317 CA PHE A 25 0.986 -17.237 3.847 1.00 0.00 C ATOM 318 C PHE A 25 -0.068 -16.589 4.753 1.00 0.00 C ATOM 319 O PHE A 25 -1.241 -16.987 4.789 1.00 0.00 O ATOM 320 CB PHE A 25 1.233 -16.389 2.569 1.00 0.00 C ATOM 321 CG PHE A 25 0.000 -15.703 1.999 1.00 0.00 C ATOM 322 CD1 PHE A 25 -0.836 -16.377 1.101 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.316 -14.380 2.356 1.00 0.00 C ATOM 324 CE1 PHE A 25 -1.966 -15.744 0.548 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.455 -13.751 1.827 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.289 -14.436 0.931 1.00 0.00 C ATOM 0 H PHE A 25 0.577 -18.782 2.517 1.00 0.00 H new ATOM 0 HA PHE A 25 1.931 -17.274 4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.980 -15.628 2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.658 -17.034 1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.611 -17.397 0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.322 -13.843 3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.582 -16.266 -0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.690 -12.736 2.111 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.175 -13.958 0.539 1.00 0.00 H new ATOM 336 N THR A 26 0.357 -15.562 5.474 1.00 0.00 N ATOM 337 CA THR A 26 -0.438 -14.873 6.478 1.00 0.00 C ATOM 338 C THR A 26 -0.698 -13.438 6.023 1.00 0.00 C ATOM 339 O THR A 26 0.068 -12.888 5.225 1.00 0.00 O ATOM 340 CB THR A 26 0.324 -14.917 7.815 1.00 0.00 C ATOM 341 OG1 THR A 26 1.697 -14.640 7.616 1.00 0.00 O ATOM 342 CG2 THR A 26 0.251 -16.279 8.502 1.00 0.00 C ATOM 0 H THR A 26 1.295 -15.173 5.373 1.00 0.00 H new ATOM 0 HA THR A 26 -1.405 -15.358 6.611 1.00 0.00 H new ATOM 0 HB THR A 26 -0.157 -14.167 8.443 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.191 -14.826 8.442 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.808 -16.244 9.439 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.790 -16.527 8.708 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.684 -17.039 7.851 1.00 0.00 H new ATOM 350 N ILE A 27 -1.720 -12.786 6.580 1.00 0.00 N ATOM 351 CA ILE A 27 -1.923 -11.352 6.399 1.00 0.00 C ATOM 352 C ILE A 27 -1.851 -10.632 7.738 1.00 0.00 C ATOM 353 O ILE A 27 -2.104 -11.213 8.799 1.00 0.00 O ATOM 354 CB ILE A 27 -3.183 -11.024 5.565 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.498 -11.603 6.125 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.949 -11.503 4.127 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.719 -11.096 5.338 1.00 0.00 C ATOM 0 H ILE A 27 -2.424 -13.235 7.165 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.104 -10.964 5.794 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.321 -9.944 5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.464 -12.692 6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.600 -11.327 7.174 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.828 -11.280 3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.082 -10.991 3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.771 -12.578 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.628 -11.525 5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.767 -10.009 5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.628 -11.395 4.294 1.00 0.00 H new ATOM 369 N ALA A 28 -1.491 -9.356 7.668 1.00 0.00 N ATOM 370 CA ALA A 28 -1.382 -8.416 8.761 1.00 0.00 C ATOM 371 C ALA A 28 -2.341 -7.261 8.496 1.00 0.00 C ATOM 372 O ALA A 28 -2.926 -7.130 7.417 1.00 0.00 O ATOM 373 CB ALA A 28 0.057 -7.896 8.884 1.00 0.00 C ATOM 0 H ALA A 28 -1.251 -8.926 6.775 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.639 -8.908 9.699 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.119 -7.190 9.712 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.731 -8.732 9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.344 -7.396 7.959 1.00 0.00 H new ATOM 379 N ASP A 29 -2.497 -6.425 9.510 1.00 0.00 N ATOM 380 CA ASP A 29 -3.249 -5.179 9.476 1.00 0.00 C ATOM 381 C ASP A 29 -2.242 -4.031 9.566 1.00 0.00 C ATOM 382 O ASP A 29 -1.408 -4.032 10.476 1.00 0.00 O ATOM 383 CB ASP A 29 -4.219 -5.201 10.658 1.00 0.00 C ATOM 384 CG ASP A 29 -5.266 -4.100 10.606 1.00 0.00 C ATOM 385 OD1 ASP A 29 -5.348 -3.370 9.592 1.00 0.00 O ATOM 386 OD2 ASP A 29 -6.065 -4.018 11.565 1.00 0.00 O ATOM 0 H ASP A 29 -2.083 -6.605 10.424 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.827 -5.051 8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.722 -6.168 10.687 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.652 -5.108 11.584 1.00 0.00 H new ATOM 391 N SER A 30 -2.208 -3.120 8.592 1.00 0.00 N ATOM 392 CA SER A 30 -1.146 -2.124 8.409 1.00 0.00 C ATOM 393 C SER A 30 -1.762 -0.713 8.341 1.00 0.00 C ATOM 394 O SER A 30 -2.987 -0.611 8.208 1.00 0.00 O ATOM 395 CB SER A 30 -0.339 -2.501 7.148 1.00 0.00 C ATOM 396 OG SER A 30 -1.028 -2.148 5.964 1.00 0.00 O ATOM 0 H SER A 30 -2.941 -3.051 7.886 1.00 0.00 H new ATOM 0 HA SER A 30 -0.457 -2.116 9.254 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.628 -1.999 7.170 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.141 -3.573 7.149 1.00 0.00 H new ATOM 0 HG SER A 30 -1.808 -2.731 5.853 1.00 0.00 H new ATOM 402 N PRO A 31 -0.970 0.380 8.347 1.00 0.00 N ATOM 403 CA PRO A 31 -1.511 1.736 8.222 1.00 0.00 C ATOM 404 C PRO A 31 -2.189 1.978 6.870 1.00 0.00 C ATOM 405 O PRO A 31 -2.869 2.987 6.681 1.00 0.00 O ATOM 406 CB PRO A 31 -0.335 2.705 8.386 1.00 0.00 C ATOM 407 CG PRO A 31 0.924 1.844 8.466 1.00 0.00 C ATOM 408 CD PRO A 31 0.483 0.394 8.313 1.00 0.00 C ATOM 0 HA PRO A 31 -2.276 1.885 8.984 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.280 3.396 7.545 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.451 3.308 9.286 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.629 2.118 7.681 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.434 1.994 9.418 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.850 -0.023 7.375 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.892 -0.219 9.116 1.00 0.00 H new ATOM 416 N THR A 32 -1.944 1.091 5.912 1.00 0.00 N ATOM 417 CA THR A 32 -2.315 1.246 4.523 1.00 0.00 C ATOM 418 C THR A 32 -3.524 0.376 4.158 1.00 0.00 C ATOM 419 O THR A 32 -4.100 0.575 3.090 1.00 0.00 O ATOM 420 CB THR A 32 -1.051 0.953 3.687 1.00 0.00 C ATOM 421 OG1 THR A 32 -0.294 -0.153 4.163 1.00 0.00 O ATOM 422 CG2 THR A 32 -0.098 2.141 3.782 1.00 0.00 C ATOM 0 H THR A 32 -1.462 0.211 6.096 1.00 0.00 H new ATOM 0 HA THR A 32 -2.652 2.261 4.311 1.00 0.00 H new ATOM 0 HB THR A 32 -1.414 0.748 2.680 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.879 -0.759 4.663 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.796 1.938 3.193 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.591 3.034 3.398 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.182 2.300 4.823 1.00 0.00 H new ATOM 430 N GLY A 33 -3.928 -0.561 5.022 1.00 0.00 N ATOM 431 CA GLY A 33 -4.900 -1.597 4.700 1.00 0.00 C ATOM 432 C GLY A 33 -4.365 -2.952 5.135 1.00 0.00 C ATOM 433 O GLY A 33 -3.451 -3.028 5.964 1.00 0.00 O ATOM 0 H GLY A 33 -3.580 -0.617 5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.846 -1.390 5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.101 -1.601 3.629 1.00 0.00 H new ATOM 437 N GLN A 34 -4.928 -4.034 4.614 1.00 0.00 N ATOM 438 CA GLN A 34 -4.404 -5.372 4.848 1.00 0.00 C ATOM 439 C GLN A 34 -3.122 -5.520 4.033 1.00 0.00 C ATOM 440 O GLN A 34 -2.987 -4.948 2.949 1.00 0.00 O ATOM 441 CB GLN A 34 -5.433 -6.448 4.470 1.00 0.00 C ATOM 442 CG GLN A 34 -6.752 -6.317 5.245 1.00 0.00 C ATOM 443 CD GLN A 34 -7.570 -5.078 4.880 1.00 0.00 C ATOM 444 OE1 GLN A 34 -7.647 -4.691 3.723 1.00 0.00 O ATOM 445 NE2 GLN A 34 -8.125 -4.375 5.847 1.00 0.00 N ATOM 0 H GLN A 34 -5.757 -4.009 4.020 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.190 -5.509 5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.639 -6.387 3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.005 -7.433 4.656 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.357 -7.205 5.064 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.533 -6.293 6.312 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.061 -4.697 6.813 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.618 -3.509 5.630 1.00 0.00 H new ATOM 454 N ARG A 35 -2.172 -6.295 4.546 1.00 0.00 N ATOM 455 CA ARG A 35 -0.938 -6.598 3.840 1.00 0.00 C ATOM 456 C ARG A 35 -0.580 -8.043 4.054 1.00 0.00 C ATOM 457 O ARG A 35 -1.069 -8.692 4.975 1.00 0.00 O ATOM 458 CB ARG A 35 0.209 -5.715 4.334 1.00 0.00 C ATOM 459 CG ARG A 35 0.259 -4.327 3.700 1.00 0.00 C ATOM 460 CD ARG A 35 1.518 -3.660 4.246 1.00 0.00 C ATOM 461 NE ARG A 35 1.716 -2.303 3.711 1.00 0.00 N ATOM 462 CZ ARG A 35 2.889 -1.718 3.454 1.00 0.00 C ATOM 463 NH1 ARG A 35 4.044 -2.278 3.815 1.00 0.00 N ATOM 464 NH2 ARG A 35 2.924 -0.541 2.851 1.00 0.00 N ATOM 0 H ARG A 35 -2.239 -6.731 5.466 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.093 -6.403 2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.125 -5.604 5.415 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.153 -6.224 4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.294 -4.396 2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.630 -3.750 3.954 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.458 -3.613 5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.385 -4.273 4.001 1.00 0.00 H new ATOM 0 HE ARG A 35 0.877 -1.757 3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.046 -3.175 4.300 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.925 -1.809 3.606 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.055 -0.080 2.582 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.820 -0.095 2.655 1.00 0.00 H new ATOM 478 N VAL A 36 0.334 -8.514 3.228 1.00 0.00 N ATOM 479 CA VAL A 36 0.946 -9.824 3.363 1.00 0.00 C ATOM 480 C VAL A 36 1.902 -9.733 4.548 1.00 0.00 C ATOM 481 O VAL A 36 2.837 -8.928 4.532 1.00 0.00 O ATOM 482 CB VAL A 36 1.621 -10.179 2.032 1.00 0.00 C ATOM 483 CG1 VAL A 36 2.377 -11.515 2.110 1.00 0.00 C ATOM 484 CG2 VAL A 36 0.587 -10.272 0.903 1.00 0.00 C ATOM 0 H VAL A 36 0.680 -7.986 2.427 1.00 0.00 H new ATOM 0 HA VAL A 36 0.237 -10.627 3.565 1.00 0.00 H new ATOM 0 HB VAL A 36 2.333 -9.380 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.840 -11.728 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.149 -11.452 2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.679 -12.314 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.089 -10.525 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.144 -11.044 1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.080 -9.313 0.794 1.00 0.00 H new ATOM 494 N LYS A 37 1.636 -10.514 5.595 1.00 0.00 N ATOM 495 CA LYS A 37 2.474 -10.612 6.782 1.00 0.00 C ATOM 496 C LYS A 37 3.752 -11.341 6.395 1.00 0.00 C ATOM 497 O LYS A 37 4.805 -10.717 6.297 1.00 0.00 O ATOM 498 CB LYS A 37 1.679 -11.311 7.904 1.00 0.00 C ATOM 499 CG LYS A 37 2.462 -11.846 9.118 1.00 0.00 C ATOM 500 CD LYS A 37 3.516 -10.880 9.652 1.00 0.00 C ATOM 501 CE LYS A 37 4.115 -11.431 10.945 1.00 0.00 C ATOM 502 NZ LYS A 37 5.147 -10.525 11.475 1.00 0.00 N ATOM 0 H LYS A 37 0.809 -11.110 5.639 1.00 0.00 H new ATOM 0 HA LYS A 37 2.758 -9.633 7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.932 -10.608 8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.139 -12.147 7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.758 -12.078 9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.948 -12.781 8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.301 -10.736 8.909 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.068 -9.903 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.328 -11.565 11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.549 -12.414 10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.539 -10.921 12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.908 -10.418 10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.725 -9.595 11.673 1.00 0.00 H new ATOM 516 N GLN A 38 3.660 -12.650 6.202 1.00 0.00 N ATOM 517 CA GLN A 38 4.785 -13.519 5.928 1.00 0.00 C ATOM 518 C GLN A 38 4.322 -14.515 4.878 1.00 0.00 C ATOM 519 O GLN A 38 3.136 -14.857 4.828 1.00 0.00 O ATOM 520 CB GLN A 38 5.231 -14.207 7.237 1.00 0.00 C ATOM 521 CG GLN A 38 6.378 -15.218 7.045 1.00 0.00 C ATOM 522 CD GLN A 38 6.915 -15.787 8.357 1.00 0.00 C ATOM 523 OE1 GLN A 38 6.412 -15.508 9.445 1.00 0.00 O ATOM 524 NE2 GLN A 38 7.926 -16.634 8.299 1.00 0.00 N ATOM 0 H GLN A 38 2.770 -13.147 6.234 1.00 0.00 H new ATOM 0 HA GLN A 38 5.650 -12.973 5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.546 -13.444 7.949 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.376 -14.720 7.677 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.027 -16.038 6.419 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.193 -14.733 6.508 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.345 -16.867 7.399 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.288 -17.055 9.154 1.00 0.00 H new ATOM 533 N ILE A 39 5.259 -15.034 4.097 1.00 0.00 N ATOM 534 CA ILE A 39 5.069 -16.086 3.120 1.00 0.00 C ATOM 535 C ILE A 39 5.527 -17.394 3.738 1.00 0.00 C ATOM 536 O ILE A 39 6.715 -17.624 3.956 1.00 0.00 O ATOM 537 CB ILE A 39 5.767 -15.690 1.807 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.853 -14.616 1.183 1.00 0.00 C ATOM 539 CG2 ILE A 39 5.966 -16.874 0.846 1.00 0.00 C ATOM 540 CD1 ILE A 39 5.426 -13.959 -0.058 1.00 0.00 C ATOM 0 H ILE A 39 6.226 -14.711 4.134 1.00 0.00 H new ATOM 0 HA ILE A 39 4.023 -16.230 2.850 1.00 0.00 H new ATOM 0 HB ILE A 39 6.776 -15.326 2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.895 -15.072 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.653 -13.847 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.463 -16.528 -0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.580 -17.635 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.996 -17.300 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.722 -13.217 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.369 -13.472 0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.599 -14.716 -0.823 1.00 0.00 H new ATOM 552 N LEU A 40 4.550 -18.228 4.075 1.00 0.00 N ATOM 553 CA LEU A 40 4.735 -19.562 4.594 1.00 0.00 C ATOM 554 C LEU A 40 4.499 -20.615 3.500 1.00 0.00 C ATOM 555 O LEU A 40 4.547 -21.810 3.795 1.00 0.00 O ATOM 556 CB LEU A 40 3.755 -19.764 5.729 1.00 0.00 C ATOM 557 CG LEU A 40 3.849 -18.774 6.894 1.00 0.00 C ATOM 558 CD1 LEU A 40 5.208 -18.734 7.600 1.00 0.00 C ATOM 559 CD2 LEU A 40 3.330 -17.351 6.745 1.00 0.00 C ATOM 0 H LEU A 40 3.566 -17.973 3.987 1.00 0.00 H new ATOM 0 HA LEU A 40 5.759 -19.678 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.745 -19.717 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.892 -20.771 6.124 1.00 0.00 H new ATOM 0 HG LEU A 40 3.096 -19.263 7.512 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.176 -18.005 8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.435 -19.719 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.981 -18.450 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.486 -16.807 7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.866 -16.851 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.265 -17.374 6.513 1.00 0.00 H new ATOM 571 N ASP A 41 4.170 -20.197 2.271 1.00 0.00 N ATOM 572 CA ASP A 41 3.926 -21.050 1.109 1.00 0.00 C ATOM 573 C ASP A 41 4.321 -20.283 -0.149 1.00 0.00 C ATOM 574 O ASP A 41 3.736 -19.246 -0.477 1.00 0.00 O ATOM 575 CB ASP A 41 2.459 -21.483 1.017 1.00 0.00 C ATOM 576 CG ASP A 41 2.128 -22.263 -0.265 1.00 0.00 C ATOM 577 OD1 ASP A 41 3.046 -22.683 -1.006 1.00 0.00 O ATOM 578 OD2 ASP A 41 0.923 -22.481 -0.518 1.00 0.00 O ATOM 0 H ASP A 41 4.062 -19.206 2.053 1.00 0.00 H new ATOM 0 HA ASP A 41 4.525 -21.955 1.210 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.216 -22.101 1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.824 -20.599 1.069 1.00 0.00 H new ATOM 583 N ILE A 42 5.358 -20.778 -0.815 1.00 0.00 N ATOM 584 CA ILE A 42 5.921 -20.222 -2.031 1.00 0.00 C ATOM 585 C ILE A 42 5.063 -20.652 -3.227 1.00 0.00 C ATOM 586 O ILE A 42 4.557 -19.810 -3.975 1.00 0.00 O ATOM 587 CB ILE A 42 7.395 -20.677 -2.101 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.185 -19.934 -0.998 1.00 0.00 C ATOM 589 CG2 ILE A 42 8.018 -20.444 -3.485 1.00 0.00 C ATOM 590 CD1 ILE A 42 9.565 -20.529 -0.734 1.00 0.00 C ATOM 0 H ILE A 42 5.849 -21.616 -0.504 1.00 0.00 H new ATOM 0 HA ILE A 42 5.913 -19.132 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 42 7.439 -21.753 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.297 -18.888 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.607 -19.951 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.054 -20.781 -3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.459 -21.004 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.984 -19.381 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.063 -19.959 0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.459 -21.567 -0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.160 -20.487 -1.646 1.00 0.00 H new ATOM 602 N GLN A 43 4.909 -21.961 -3.439 1.00 0.00 N ATOM 603 CA GLN A 43 4.260 -22.549 -4.603 1.00 0.00 C ATOM 604 C GLN A 43 2.817 -22.070 -4.745 1.00 0.00 C ATOM 605 O GLN A 43 2.360 -21.883 -5.874 1.00 0.00 O ATOM 606 CB GLN A 43 4.276 -24.075 -4.473 1.00 0.00 C ATOM 607 CG GLN A 43 5.677 -24.708 -4.578 1.00 0.00 C ATOM 608 CD GLN A 43 5.971 -25.275 -5.965 1.00 0.00 C ATOM 609 OE1 GLN A 43 5.150 -25.967 -6.556 1.00 0.00 O ATOM 610 NE2 GLN A 43 7.138 -25.035 -6.532 1.00 0.00 N ATOM 0 H GLN A 43 5.246 -22.662 -2.779 1.00 0.00 H new ATOM 0 HA GLN A 43 4.809 -22.236 -5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.837 -24.350 -3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.639 -24.500 -5.249 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.428 -23.958 -4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.767 -25.504 -3.839 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.830 -24.461 -6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.348 -25.424 -7.451 1.00 0.00 H new ATOM 619 N GLY A 44 2.086 -21.888 -3.644 1.00 0.00 N ATOM 620 CA GLY A 44 0.697 -21.464 -3.701 1.00 0.00 C ATOM 621 C GLY A 44 0.544 -19.995 -4.082 1.00 0.00 C ATOM 622 O GLY A 44 -0.496 -19.630 -4.630 1.00 0.00 O ATOM 0 H GLY A 44 2.441 -22.030 -2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.163 -22.080 -4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.230 -21.634 -2.731 1.00 0.00 H new ATOM 626 N CYS A 45 1.550 -19.147 -3.817 1.00 0.00 N ATOM 627 CA CYS A 45 1.439 -17.700 -4.001 1.00 0.00 C ATOM 628 C CYS A 45 2.584 -17.161 -4.876 1.00 0.00 C ATOM 629 O CYS A 45 3.443 -16.436 -4.363 1.00 0.00 O ATOM 630 CB CYS A 45 1.330 -16.979 -2.647 1.00 0.00 C ATOM 631 SG CYS A 45 -0.021 -17.736 -1.706 1.00 0.00 S ATOM 0 H CYS A 45 2.460 -19.449 -3.470 1.00 0.00 H new ATOM 0 HA CYS A 45 0.515 -17.490 -4.540 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.268 -17.060 -2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.139 -15.916 -2.797 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.540 -16.853 -0.905 1.00 0.00 H new ATOM 637 N PRO A 46 2.637 -17.502 -6.175 1.00 0.00 N ATOM 638 CA PRO A 46 3.715 -17.077 -7.057 1.00 0.00 C ATOM 639 C PRO A 46 3.717 -15.557 -7.237 1.00 0.00 C ATOM 640 O PRO A 46 2.708 -14.958 -7.621 1.00 0.00 O ATOM 641 CB PRO A 46 3.490 -17.809 -8.383 1.00 0.00 C ATOM 642 CG PRO A 46 2.001 -18.154 -8.374 1.00 0.00 C ATOM 643 CD PRO A 46 1.691 -18.342 -6.892 1.00 0.00 C ATOM 0 HA PRO A 46 4.692 -17.323 -6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.747 -17.179 -9.234 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.106 -18.706 -8.452 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.401 -17.356 -8.812 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.795 -19.059 -8.946 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.664 -18.052 -6.668 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.798 -19.387 -6.600 1.00 0.00 H new ATOM 651 N GLY A 47 4.871 -14.928 -7.014 1.00 0.00 N ATOM 652 CA GLY A 47 5.087 -13.502 -7.229 1.00 0.00 C ATOM 653 C GLY A 47 4.853 -12.642 -5.999 1.00 0.00 C ATOM 654 O GLY A 47 5.133 -11.444 -6.047 1.00 0.00 O ATOM 0 H GLY A 47 5.701 -15.411 -6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.109 -13.349 -7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.426 -13.162 -8.026 1.00 0.00 H new ATOM 658 N LEU A 48 4.328 -13.212 -4.918 1.00 0.00 N ATOM 659 CA LEU A 48 4.072 -12.474 -3.690 1.00 0.00 C ATOM 660 C LEU A 48 5.420 -12.048 -3.078 1.00 0.00 C ATOM 661 O LEU A 48 6.431 -12.708 -3.334 1.00 0.00 O ATOM 662 CB LEU A 48 3.216 -13.387 -2.792 1.00 0.00 C ATOM 663 CG LEU A 48 2.325 -12.631 -1.796 1.00 0.00 C ATOM 664 CD1 LEU A 48 1.263 -11.851 -2.570 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.596 -13.617 -0.873 1.00 0.00 C ATOM 0 H LEU A 48 4.069 -14.197 -4.871 1.00 0.00 H new ATOM 0 HA LEU A 48 3.516 -11.549 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.586 -14.013 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.875 -14.055 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 48 2.954 -11.965 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.626 -11.311 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.749 -11.141 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.656 -12.543 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.969 -13.065 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.973 -14.283 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.327 -14.205 -0.318 1.00 0.00 H new ATOM 677 N CYS A 49 5.475 -10.956 -2.304 1.00 0.00 N ATOM 678 CA CYS A 49 6.743 -10.362 -1.861 1.00 0.00 C ATOM 679 C CYS A 49 6.774 -9.958 -0.383 1.00 0.00 C ATOM 680 O CYS A 49 7.809 -9.462 0.070 1.00 0.00 O ATOM 681 CB CYS A 49 7.079 -9.137 -2.721 1.00 0.00 C ATOM 682 SG CYS A 49 7.482 -9.607 -4.429 1.00 0.00 S ATOM 0 H CYS A 49 4.648 -10.462 -1.969 1.00 0.00 H new ATOM 0 HA CYS A 49 7.489 -11.148 -1.983 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.233 -8.450 -2.722 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.922 -8.604 -2.282 1.00 0.00 H new ATOM 0 HG CYS A 49 6.506 -10.305 -4.929 1.00 0.00 H new ATOM 688 N GLU A 50 5.699 -10.178 0.374 1.00 0.00 N ATOM 689 CA GLU A 50 5.417 -9.638 1.693 1.00 0.00 C ATOM 690 C GLU A 50 5.298 -8.115 1.680 1.00 0.00 C ATOM 691 O GLU A 50 5.884 -7.416 0.854 1.00 0.00 O ATOM 692 CB GLU A 50 6.417 -10.129 2.731 1.00 0.00 C ATOM 693 CG GLU A 50 6.485 -11.654 2.820 1.00 0.00 C ATOM 694 CD GLU A 50 7.516 -12.144 3.838 1.00 0.00 C ATOM 695 OE1 GLU A 50 8.362 -11.351 4.313 1.00 0.00 O ATOM 696 OE2 GLU A 50 7.517 -13.359 4.131 1.00 0.00 O ATOM 0 H GLU A 50 4.947 -10.787 0.050 1.00 0.00 H new ATOM 0 HA GLU A 50 4.440 -10.021 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.406 -9.740 2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.147 -9.725 3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.503 -12.042 3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.729 -12.060 1.838 1.00 0.00 H new ATOM 703 N GLY A 51 4.501 -7.579 2.604 1.00 0.00 N ATOM 704 CA GLY A 51 4.188 -6.159 2.668 1.00 0.00 C ATOM 705 C GLY A 51 3.391 -5.647 1.460 1.00 0.00 C ATOM 706 O GLY A 51 3.194 -4.436 1.352 1.00 0.00 O ATOM 0 H GLY A 51 4.051 -8.129 3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.619 -5.962 3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.117 -5.594 2.745 1.00 0.00 H new ATOM 710 N ASP A 52 2.954 -6.536 0.562 1.00 0.00 N ATOM 711 CA ASP A 52 2.148 -6.224 -0.615 1.00 0.00 C ATOM 712 C ASP A 52 0.819 -5.640 -0.131 1.00 0.00 C ATOM 713 O ASP A 52 0.204 -6.226 0.765 1.00 0.00 O ATOM 714 CB ASP A 52 1.883 -7.487 -1.458 1.00 0.00 C ATOM 715 CG ASP A 52 3.137 -8.269 -1.849 1.00 0.00 C ATOM 716 OD1 ASP A 52 3.840 -7.832 -2.789 1.00 0.00 O ATOM 717 OD2 ASP A 52 3.427 -9.302 -1.202 1.00 0.00 O ATOM 0 H ASP A 52 3.162 -7.531 0.642 1.00 0.00 H new ATOM 0 HA ASP A 52 2.682 -5.512 -1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.219 -8.147 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.354 -7.197 -2.366 1.00 0.00 H new ATOM 722 N LEU A 53 0.405 -4.479 -0.655 1.00 0.00 N ATOM 723 CA LEU A 53 -0.802 -3.782 -0.207 1.00 0.00 C ATOM 724 C LEU A 53 -2.029 -4.399 -0.864 1.00 0.00 C ATOM 725 O LEU A 53 -2.182 -4.251 -2.072 1.00 0.00 O ATOM 726 CB LEU A 53 -0.729 -2.268 -0.520 1.00 0.00 C ATOM 727 CG LEU A 53 -1.679 -1.371 0.307 1.00 0.00 C ATOM 728 CD1 LEU A 53 -3.070 -1.197 -0.293 1.00 0.00 C ATOM 729 CD2 LEU A 53 -1.842 -1.839 1.756 1.00 0.00 C ATOM 0 H LEU A 53 0.902 -3.997 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.878 -3.893 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.295 -1.930 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.949 -2.122 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.173 -0.406 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.667 -0.554 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.986 -0.742 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.552 -2.170 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.521 -1.167 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.250 -2.850 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.871 -1.834 2.251 1.00 0.00 H new ATOM 741 N ILE A 54 -2.870 -5.100 -0.107 1.00 0.00 N ATOM 742 CA ILE A 54 -4.039 -5.804 -0.632 1.00 0.00 C ATOM 743 C ILE A 54 -5.056 -4.755 -1.093 1.00 0.00 C ATOM 744 O ILE A 54 -5.439 -3.877 -0.324 1.00 0.00 O ATOM 745 CB ILE A 54 -4.591 -6.778 0.437 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.490 -7.818 0.778 1.00 0.00 C ATOM 747 CG2 ILE A 54 -5.868 -7.504 -0.023 1.00 0.00 C ATOM 748 CD1 ILE A 54 -3.790 -8.753 1.949 1.00 0.00 C ATOM 0 H ILE A 54 -2.758 -5.197 0.902 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.785 -6.422 -1.493 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.861 -6.193 1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.305 -8.426 -0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.566 -7.282 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.210 -8.174 0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.645 -6.771 -0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.654 -8.082 -0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.952 -9.435 2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.941 -8.165 2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.691 -9.327 1.735 1.00 0.00 H new ATOM 760 N VAL A 55 -5.471 -4.845 -2.356 1.00 0.00 N ATOM 761 CA VAL A 55 -6.376 -3.907 -3.011 1.00 0.00 C ATOM 762 C VAL A 55 -7.652 -4.644 -3.403 1.00 0.00 C ATOM 763 O VAL A 55 -8.736 -4.284 -2.947 1.00 0.00 O ATOM 764 CB VAL A 55 -5.627 -3.278 -4.206 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.564 -2.725 -5.274 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.656 -2.195 -3.731 1.00 0.00 C ATOM 0 H VAL A 55 -5.174 -5.602 -2.972 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.680 -3.093 -2.353 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.061 -4.085 -4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.977 -2.297 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.188 -3.530 -5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.197 -1.953 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.140 -1.767 -4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.209 -1.412 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.926 -2.634 -3.051 1.00 0.00 H new ATOM 776 N GLU A 56 -7.518 -5.701 -4.204 1.00 0.00 N ATOM 777 CA GLU A 56 -8.630 -6.491 -4.712 1.00 0.00 C ATOM 778 C GLU A 56 -8.369 -7.970 -4.426 1.00 0.00 C ATOM 779 O GLU A 56 -7.211 -8.407 -4.430 1.00 0.00 O ATOM 780 CB GLU A 56 -8.804 -6.264 -6.225 1.00 0.00 C ATOM 781 CG GLU A 56 -9.799 -5.183 -6.634 1.00 0.00 C ATOM 782 CD GLU A 56 -9.341 -3.730 -6.656 1.00 0.00 C ATOM 783 OE1 GLU A 56 -8.695 -3.347 -7.662 1.00 0.00 O ATOM 784 OE2 GLU A 56 -9.673 -2.986 -5.710 1.00 0.00 O ATOM 0 H GLU A 56 -6.609 -6.037 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.548 -6.181 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.831 -6.012 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.115 -7.205 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.161 -5.429 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.653 -5.249 -5.960 1.00 0.00 H new ATOM 791 N ILE A 57 -9.444 -8.741 -4.248 1.00 0.00 N ATOM 792 CA ILE A 57 -9.486 -10.201 -4.280 1.00 0.00 C ATOM 793 C ILE A 57 -10.598 -10.541 -5.267 1.00 0.00 C ATOM 794 O ILE A 57 -11.718 -10.077 -5.082 1.00 0.00 O ATOM 795 CB ILE A 57 -9.799 -10.799 -2.890 1.00 0.00 C ATOM 796 CG1 ILE A 57 -8.627 -10.584 -1.913 1.00 0.00 C ATOM 797 CG2 ILE A 57 -10.094 -12.312 -3.023 1.00 0.00 C ATOM 798 CD1 ILE A 57 -9.061 -10.701 -0.458 1.00 0.00 C ATOM 0 H ILE A 57 -10.363 -8.336 -4.067 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.522 -10.617 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.675 -10.287 -2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.847 -11.317 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.191 -9.599 -2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.314 -12.728 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.952 -12.459 -3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.224 -12.817 -3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.201 -10.542 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.822 -9.950 -0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.472 -11.695 -0.280 1.00 0.00 H new ATOM 810 N ASN A 58 -10.320 -11.367 -6.275 1.00 0.00 N ATOM 811 CA ASN A 58 -11.281 -11.839 -7.276 1.00 0.00 C ATOM 812 C ASN A 58 -12.173 -10.691 -7.768 1.00 0.00 C ATOM 813 O ASN A 58 -13.398 -10.775 -7.702 1.00 0.00 O ATOM 814 CB ASN A 58 -12.088 -13.047 -6.745 1.00 0.00 C ATOM 815 CG ASN A 58 -11.244 -14.294 -6.518 1.00 0.00 C ATOM 816 OD1 ASN A 58 -10.094 -14.360 -6.933 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.761 -15.306 -5.839 1.00 0.00 N ATOM 0 H ASN A 58 -9.383 -11.741 -6.424 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.730 -12.195 -8.146 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.568 -12.768 -5.807 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.883 -13.281 -7.453 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.201 -16.140 -5.662 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.719 -15.252 -5.493 1.00 0.00 H new ATOM 824 N GLN A 59 -11.551 -9.594 -8.213 1.00 0.00 N ATOM 825 CA GLN A 59 -12.153 -8.341 -8.673 1.00 0.00 C ATOM 826 C GLN A 59 -13.020 -7.587 -7.655 1.00 0.00 C ATOM 827 O GLN A 59 -13.394 -6.446 -7.937 1.00 0.00 O ATOM 828 CB GLN A 59 -12.911 -8.564 -9.992 1.00 0.00 C ATOM 829 CG GLN A 59 -11.983 -9.052 -11.106 1.00 0.00 C ATOM 830 CD GLN A 59 -12.653 -8.954 -12.469 1.00 0.00 C ATOM 831 OE1 GLN A 59 -13.791 -9.354 -12.679 1.00 0.00 O ATOM 832 NE2 GLN A 59 -11.940 -8.459 -13.464 1.00 0.00 N ATOM 0 H GLN A 59 -10.533 -9.558 -8.264 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.306 -7.673 -8.829 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.706 -9.293 -9.836 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.388 -7.633 -10.298 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.068 -8.460 -11.105 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.694 -10.085 -10.914 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.991 -8.124 -13.295 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.338 -8.411 -14.402 1.00 0.00 H new ATOM 841 N GLN A 60 -13.310 -8.142 -6.478 1.00 0.00 N ATOM 842 CA GLN A 60 -13.926 -7.407 -5.398 1.00 0.00 C ATOM 843 C GLN A 60 -12.884 -6.422 -4.894 1.00 0.00 C ATOM 844 O GLN A 60 -11.840 -6.840 -4.386 1.00 0.00 O ATOM 845 CB GLN A 60 -14.367 -8.362 -4.280 1.00 0.00 C ATOM 846 CG GLN A 60 -14.981 -7.590 -3.106 1.00 0.00 C ATOM 847 CD GLN A 60 -15.503 -8.473 -1.972 1.00 0.00 C ATOM 848 OE1 GLN A 60 -15.904 -7.959 -0.937 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.517 -9.792 -2.106 1.00 0.00 N ATOM 0 H GLN A 60 -13.119 -9.119 -6.256 1.00 0.00 H new ATOM 0 HA GLN A 60 -14.820 -6.883 -5.736 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.094 -9.074 -4.671 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.511 -8.939 -3.932 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.231 -6.909 -2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.801 -6.977 -3.480 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.183 -10.221 -2.969 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.862 -10.378 -1.346 1.00 0.00 H new ATOM 858 N ASN A 61 -13.171 -5.128 -5.016 1.00 0.00 N ATOM 859 CA ASN A 61 -12.449 -4.098 -4.285 1.00 0.00 C ATOM 860 C ASN A 61 -12.567 -4.367 -2.795 1.00 0.00 C ATOM 861 O ASN A 61 -13.678 -4.326 -2.262 1.00 0.00 O ATOM 862 CB ASN A 61 -12.996 -2.717 -4.629 1.00 0.00 C ATOM 863 CG ASN A 61 -12.354 -1.664 -3.743 1.00 0.00 C ATOM 864 OD1 ASN A 61 -13.013 -1.067 -2.894 1.00 0.00 O ATOM 865 ND2 ASN A 61 -11.060 -1.452 -3.887 1.00 0.00 N ATOM 0 H ASN A 61 -13.908 -4.768 -5.623 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.397 -4.121 -4.570 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.799 -2.490 -5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.078 -2.703 -4.498 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.583 -0.780 -3.286 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.536 -1.961 -4.599 1.00 0.00 H new ATOM 872 N VAL A 62 -11.440 -4.647 -2.147 1.00 0.00 N ATOM 873 CA VAL A 62 -11.376 -4.867 -0.700 1.00 0.00 C ATOM 874 C VAL A 62 -10.671 -3.718 0.036 1.00 0.00 C ATOM 875 O VAL A 62 -10.583 -3.764 1.258 1.00 0.00 O ATOM 876 CB VAL A 62 -10.805 -6.262 -0.352 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.690 -7.386 -0.916 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.359 -6.498 -0.815 1.00 0.00 C ATOM 0 H VAL A 62 -10.536 -4.729 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.401 -4.862 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.801 -6.283 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.261 -8.353 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.692 -7.307 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.746 -7.296 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.044 -7.501 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.303 -6.396 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.703 -5.764 -0.347 1.00 0.00 H new ATOM 888 N GLN A 63 -10.215 -2.665 -0.658 1.00 0.00 N ATOM 889 CA GLN A 63 -9.361 -1.618 -0.087 1.00 0.00 C ATOM 890 C GLN A 63 -9.902 -0.923 1.180 1.00 0.00 C ATOM 891 O GLN A 63 -9.092 -0.330 1.891 1.00 0.00 O ATOM 892 CB GLN A 63 -9.064 -0.530 -1.130 1.00 0.00 C ATOM 893 CG GLN A 63 -7.778 -0.717 -1.922 1.00 0.00 C ATOM 894 CD GLN A 63 -7.415 0.597 -2.602 1.00 0.00 C ATOM 895 OE1 GLN A 63 -7.940 0.926 -3.664 1.00 0.00 O ATOM 896 NE2 GLN A 63 -6.541 1.386 -2.001 1.00 0.00 N ATOM 0 H GLN A 63 -10.433 -2.516 -1.643 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.463 -2.158 0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.898 -0.485 -1.830 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.021 0.434 -0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.972 -1.033 -1.260 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.906 -1.503 -2.667 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.115 1.098 -1.120 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.293 2.283 -2.418 1.00 0.00 H new ATOM 905 N ASN A 64 -11.211 -0.928 1.473 1.00 0.00 N ATOM 906 CA ASN A 64 -11.779 -0.323 2.685 1.00 0.00 C ATOM 907 C ASN A 64 -12.346 -1.365 3.655 1.00 0.00 C ATOM 908 O ASN A 64 -12.808 -1.019 4.744 1.00 0.00 O ATOM 909 CB ASN A 64 -12.855 0.702 2.299 1.00 0.00 C ATOM 910 CG ASN A 64 -13.327 1.517 3.498 1.00 0.00 C ATOM 911 OD1 ASN A 64 -12.540 1.878 4.373 1.00 0.00 O ATOM 912 ND2 ASN A 64 -14.591 1.874 3.525 1.00 0.00 N ATOM 0 H ASN A 64 -11.911 -1.357 0.868 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.968 0.180 3.211 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.458 1.374 1.538 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.706 0.184 1.855 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.939 2.463 4.282 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.225 1.563 2.789 1.00 0.00 H new ATOM 919 N LEU A 65 -12.321 -2.648 3.288 1.00 0.00 N ATOM 920 CA LEU A 65 -12.716 -3.713 4.196 1.00 0.00 C ATOM 921 C LEU A 65 -11.729 -3.774 5.357 1.00 0.00 C ATOM 922 O LEU A 65 -10.608 -3.262 5.273 1.00 0.00 O ATOM 923 CB LEU A 65 -12.799 -5.060 3.467 1.00 0.00 C ATOM 924 CG LEU A 65 -13.940 -5.184 2.441 1.00 0.00 C ATOM 925 CD1 LEU A 65 -13.991 -6.634 1.957 1.00 0.00 C ATOM 926 CD2 LEU A 65 -15.322 -4.813 2.999 1.00 0.00 C ATOM 0 H LEU A 65 -12.030 -2.969 2.365 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.711 -3.499 4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.852 -5.237 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.913 -5.850 4.210 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.724 -4.479 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -14.793 -6.746 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.040 -6.896 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -14.176 -7.294 2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -16.073 -4.926 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.566 -5.471 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -15.310 -3.779 3.344 1.00 0.00 H new ATOM 938 N SER A 66 -12.161 -4.393 6.450 1.00 0.00 N ATOM 939 CA SER A 66 -11.336 -4.668 7.612 1.00 0.00 C ATOM 940 C SER A 66 -10.658 -6.021 7.454 1.00 0.00 C ATOM 941 O SER A 66 -11.155 -6.886 6.736 1.00 0.00 O ATOM 942 CB SER A 66 -12.229 -4.632 8.846 1.00 0.00 C ATOM 943 OG SER A 66 -12.763 -3.326 8.995 1.00 0.00 O ATOM 0 H SER A 66 -13.120 -4.725 6.551 1.00 0.00 H new ATOM 0 HA SER A 66 -10.551 -3.919 7.717 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.035 -5.359 8.748 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.657 -4.908 9.732 1.00 0.00 H new ATOM 0 HG SER A 66 -13.340 -3.297 9.787 1.00 0.00 H new ATOM 949 N HIS A 67 -9.545 -6.209 8.163 1.00 0.00 N ATOM 950 CA HIS A 67 -8.714 -7.400 8.147 1.00 0.00 C ATOM 951 C HIS A 67 -9.543 -8.678 8.119 1.00 0.00 C ATOM 952 O HIS A 67 -9.382 -9.495 7.220 1.00 0.00 O ATOM 953 CB HIS A 67 -7.768 -7.346 9.355 1.00 0.00 C ATOM 954 CG HIS A 67 -6.899 -8.564 9.493 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.576 -8.649 9.131 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.288 -9.779 9.996 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.173 -9.892 9.432 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.172 -10.621 9.955 1.00 0.00 N ATOM 0 H HIS A 67 -9.185 -5.494 8.795 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.125 -7.419 7.230 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.133 -6.464 9.269 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.358 -7.226 10.263 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.273 -10.038 10.357 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.170 -10.261 9.274 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.126 -11.593 10.261 1.00 0.00 H new ATOM 966 N THR A 68 -10.420 -8.853 9.096 1.00 0.00 N ATOM 967 CA THR A 68 -11.165 -10.074 9.301 1.00 0.00 C ATOM 968 C THR A 68 -12.160 -10.314 8.151 1.00 0.00 C ATOM 969 O THR A 68 -12.449 -11.463 7.838 1.00 0.00 O ATOM 970 CB THR A 68 -11.800 -9.973 10.697 1.00 0.00 C ATOM 971 OG1 THR A 68 -10.783 -9.921 11.691 1.00 0.00 O ATOM 972 CG2 THR A 68 -12.681 -11.166 11.016 1.00 0.00 C ATOM 0 H THR A 68 -10.634 -8.129 9.782 1.00 0.00 H new ATOM 0 HA THR A 68 -10.528 -10.958 9.278 1.00 0.00 H new ATOM 0 HB THR A 68 -12.407 -9.068 10.696 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.195 -9.855 12.578 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.106 -11.048 12.013 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.485 -11.231 10.283 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.085 -12.078 10.982 1.00 0.00 H new ATOM 980 N GLU A 69 -12.625 -9.269 7.462 1.00 0.00 N ATOM 981 CA GLU A 69 -13.472 -9.412 6.282 1.00 0.00 C ATOM 982 C GLU A 69 -12.639 -9.977 5.123 1.00 0.00 C ATOM 983 O GLU A 69 -13.061 -10.905 4.440 1.00 0.00 O ATOM 984 CB GLU A 69 -14.056 -8.047 5.896 1.00 0.00 C ATOM 985 CG GLU A 69 -14.618 -7.226 7.065 1.00 0.00 C ATOM 986 CD GLU A 69 -15.863 -7.846 7.681 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.903 -7.965 7.004 1.00 0.00 O ATOM 988 OE2 GLU A 69 -15.826 -8.241 8.870 1.00 0.00 O ATOM 0 H GLU A 69 -12.423 -8.300 7.709 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.292 -10.096 6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.279 -7.463 5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.850 -8.202 5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.851 -7.125 7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.854 -6.221 6.716 1.00 0.00 H new ATOM 995 N VAL A 70 -11.430 -9.443 4.921 1.00 0.00 N ATOM 996 CA VAL A 70 -10.501 -9.874 3.878 1.00 0.00 C ATOM 997 C VAL A 70 -10.081 -11.328 4.130 1.00 0.00 C ATOM 998 O VAL A 70 -10.023 -12.130 3.196 1.00 0.00 O ATOM 999 CB VAL A 70 -9.310 -8.895 3.834 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -8.285 -9.229 2.746 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.785 -7.453 3.588 1.00 0.00 C ATOM 0 H VAL A 70 -11.064 -8.682 5.493 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.975 -9.853 2.897 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.833 -8.993 4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.475 -8.500 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.881 -10.226 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.768 -9.199 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.924 -6.786 3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.313 -7.401 2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.456 -7.149 4.392 1.00 0.00 H new ATOM 1011 N VAL A 71 -9.838 -11.693 5.392 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.650 -13.075 5.812 1.00 0.00 C ATOM 1013 C VAL A 71 -10.851 -13.898 5.364 1.00 0.00 C ATOM 1014 O VAL A 71 -10.660 -14.935 4.733 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.462 -13.135 7.348 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.526 -14.557 7.930 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.131 -12.522 7.772 1.00 0.00 C ATOM 0 H VAL A 71 -9.766 -11.023 6.158 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.754 -13.491 5.351 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.301 -12.563 7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.386 -14.515 9.010 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.498 -14.998 7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.740 -15.168 7.486 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.032 -12.581 8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.313 -13.068 7.303 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.096 -11.478 7.461 1.00 0.00 H new ATOM 1027 N ASP A 72 -12.061 -13.464 5.714 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.286 -14.234 5.496 1.00 0.00 C ATOM 1029 C ASP A 72 -13.475 -14.589 4.026 1.00 0.00 C ATOM 1030 O ASP A 72 -13.701 -15.754 3.702 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.524 -13.509 6.038 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.710 -14.471 6.053 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -16.350 -14.703 5.003 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -15.962 -15.099 7.104 1.00 0.00 O ATOM 0 H ASP A 72 -12.221 -12.561 6.160 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.172 -15.162 6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.330 -13.138 7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.752 -12.643 5.417 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.289 -13.609 3.144 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.340 -13.776 1.695 1.00 0.00 C ATOM 1041 C ILE A 73 -12.353 -14.870 1.271 1.00 0.00 C ATOM 1042 O ILE A 73 -12.686 -15.749 0.473 1.00 0.00 O ATOM 1043 CB ILE A 73 -13.049 -12.410 1.029 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -14.204 -11.432 1.330 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -12.875 -12.525 -0.498 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.789 -9.964 1.261 1.00 0.00 C ATOM 0 H ILE A 73 -13.093 -12.649 3.427 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.328 -14.100 1.369 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.111 -12.042 1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -15.013 -11.607 0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.600 -11.644 2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.673 -11.539 -0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.041 -13.191 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.788 -12.926 -0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.649 -9.332 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -13.001 -9.774 1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.420 -9.737 0.261 1.00 0.00 H new ATOM 1058 N LEU A 74 -11.131 -14.839 1.803 1.00 0.00 N ATOM 1059 CA LEU A 74 -10.118 -15.840 1.500 1.00 0.00 C ATOM 1060 C LEU A 74 -10.492 -17.215 2.066 1.00 0.00 C ATOM 1061 O LEU A 74 -10.220 -18.210 1.390 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.729 -15.379 1.968 1.00 0.00 C ATOM 1063 CG LEU A 74 -8.199 -14.135 1.229 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -6.989 -13.568 1.979 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.796 -14.438 -0.222 1.00 0.00 C ATOM 0 H LEU A 74 -10.820 -14.119 2.455 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.074 -15.951 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.770 -15.165 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.022 -16.197 1.834 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.010 -13.408 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.616 -12.688 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.286 -13.289 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.204 -14.323 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.430 -13.527 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.010 -15.193 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.662 -14.809 -0.770 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.135 -17.335 3.244 1.00 0.00 N ATOM 1078 CA LYS A 75 -11.723 -18.615 3.662 1.00 0.00 C ATOM 1079 C LYS A 75 -12.678 -19.113 2.587 1.00 0.00 C ATOM 1080 O LYS A 75 -12.561 -20.270 2.184 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.481 -18.523 4.997 1.00 0.00 C ATOM 1082 CG LYS A 75 -11.646 -17.846 6.081 1.00 0.00 C ATOM 1083 CD LYS A 75 -12.202 -17.935 7.497 1.00 0.00 C ATOM 1084 CE LYS A 75 -13.425 -17.076 7.851 1.00 0.00 C ATOM 1085 NZ LYS A 75 -14.676 -17.473 7.169 1.00 0.00 N ATOM 0 H LYS A 75 -11.257 -16.573 3.911 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.895 -19.309 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.407 -17.966 4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.760 -19.524 5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.649 -18.287 6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.531 -16.794 5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.460 -18.977 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.400 -17.673 8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.584 -17.121 8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.206 -16.037 7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.436 -16.811 7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.532 -17.452 6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.941 -18.435 7.462 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.562 -18.244 2.103 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.613 -18.587 1.153 1.00 0.00 C ATOM 1101 C ASP A 76 -14.057 -19.115 -0.167 1.00 0.00 C ATOM 1102 O ASP A 76 -14.641 -20.027 -0.753 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.526 -17.376 0.904 1.00 0.00 C ATOM 1104 CG ASP A 76 -16.962 -17.741 1.244 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.607 -18.456 0.446 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -17.402 -17.374 2.360 1.00 0.00 O ATOM 0 H ASP A 76 -13.566 -17.259 2.368 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.197 -19.392 1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.201 -16.532 1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.457 -17.064 -0.138 1.00 0.00 H new ATOM 1111 N CYS A 77 -12.906 -18.589 -0.608 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.245 -18.987 -1.845 1.00 0.00 C ATOM 1113 C CYS A 77 -12.062 -20.505 -1.866 1.00 0.00 C ATOM 1114 O CYS A 77 -11.697 -21.092 -0.839 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.889 -18.284 -1.955 1.00 0.00 C ATOM 1116 SG CYS A 77 -11.131 -16.497 -2.178 1.00 0.00 S ATOM 0 H CYS A 77 -12.404 -17.861 -0.100 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.861 -18.696 -2.696 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.300 -18.470 -1.057 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.326 -18.691 -2.795 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.791 -16.019 -1.165 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.305 -21.152 -3.013 1.00 0.00 N ATOM 1123 CA PRO A 78 -12.066 -22.571 -3.194 1.00 0.00 C ATOM 1124 C PRO A 78 -10.629 -22.910 -2.830 1.00 0.00 C ATOM 1125 O PRO A 78 -9.690 -22.140 -3.059 1.00 0.00 O ATOM 1126 CB PRO A 78 -12.345 -22.869 -4.668 1.00 0.00 C ATOM 1127 CG PRO A 78 -13.189 -21.682 -5.127 1.00 0.00 C ATOM 1128 CD PRO A 78 -12.724 -20.544 -4.255 1.00 0.00 C ATOM 0 HA PRO A 78 -12.708 -23.173 -2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.422 -22.949 -5.242 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.879 -23.811 -4.791 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.031 -21.465 -6.184 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.254 -21.875 -4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.902 -20.002 -4.723 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.526 -19.825 -4.088 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.466 -24.081 -2.252 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.209 -24.778 -2.155 1.00 0.00 C ATOM 1138 C ILE A 79 -9.021 -25.452 -3.520 1.00 0.00 C ATOM 1139 O ILE A 79 -9.953 -26.063 -4.043 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.304 -25.708 -0.930 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.201 -24.825 0.340 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.203 -26.769 -0.934 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -9.290 -25.571 1.671 1.00 0.00 C ATOM 0 H ILE A 79 -11.238 -24.590 -1.821 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.323 -24.168 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.253 -26.244 -0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.255 -24.284 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.995 -24.079 0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.306 -27.404 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.289 -27.379 -1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.228 -26.282 -0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.207 -24.860 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.247 -26.089 1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.480 -26.297 1.736 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.840 -25.301 -4.124 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.567 -25.872 -5.438 1.00 0.00 C ATOM 1157 C GLY A 80 -8.337 -25.181 -6.571 1.00 0.00 C ATOM 1158 O GLY A 80 -8.761 -25.845 -7.523 1.00 0.00 O ATOM 0 H GLY A 80 -7.058 -24.786 -3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.498 -25.805 -5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.824 -26.931 -5.427 1.00 0.00 H new ATOM 1162 N SER A 81 -8.540 -23.862 -6.499 1.00 0.00 N ATOM 1163 CA SER A 81 -8.896 -23.041 -7.659 1.00 0.00 C ATOM 1164 C SER A 81 -8.268 -21.659 -7.496 1.00 0.00 C ATOM 1165 O SER A 81 -8.363 -21.055 -6.423 1.00 0.00 O ATOM 1166 CB SER A 81 -10.415 -22.915 -7.845 1.00 0.00 C ATOM 1167 OG SER A 81 -11.076 -24.156 -7.658 1.00 0.00 O ATOM 0 H SER A 81 -8.462 -23.332 -5.631 1.00 0.00 H new ATOM 0 HA SER A 81 -8.511 -23.532 -8.553 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.808 -22.184 -7.138 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.628 -22.537 -8.845 1.00 0.00 H new ATOM 0 HG SER A 81 -12.040 -24.035 -7.783 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.607 -21.156 -8.529 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.849 -19.922 -8.461 1.00 0.00 C ATOM 1175 C GLU A 82 -7.759 -18.732 -8.116 1.00 0.00 C ATOM 1176 O GLU A 82 -8.978 -18.746 -8.316 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.063 -19.705 -9.764 1.00 0.00 C ATOM 1178 CG GLU A 82 -4.673 -20.336 -9.864 1.00 0.00 C ATOM 1179 CD GLU A 82 -4.620 -21.844 -10.137 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -5.544 -22.586 -9.733 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -3.608 -22.256 -10.754 1.00 0.00 O ATOM 0 H GLU A 82 -7.584 -21.601 -9.447 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.121 -19.999 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.666 -20.087 -10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.957 -18.631 -9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.124 -19.827 -10.657 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.142 -20.140 -8.932 1.00 0.00 H new ATOM 1188 N THR A 83 -7.144 -17.737 -7.493 1.00 0.00 N ATOM 1189 CA THR A 83 -7.718 -16.581 -6.834 1.00 0.00 C ATOM 1190 C THR A 83 -6.828 -15.397 -7.253 1.00 0.00 C ATOM 1191 O THR A 83 -5.601 -15.527 -7.275 1.00 0.00 O ATOM 1192 CB THR A 83 -7.676 -16.854 -5.314 1.00 0.00 C ATOM 1193 OG1 THR A 83 -8.266 -18.101 -4.981 1.00 0.00 O ATOM 1194 CG2 THR A 83 -8.413 -15.800 -4.491 1.00 0.00 C ATOM 0 H THR A 83 -6.126 -17.722 -7.433 1.00 0.00 H new ATOM 0 HA THR A 83 -8.754 -16.369 -7.100 1.00 0.00 H new ATOM 0 HB THR A 83 -6.613 -16.841 -5.073 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.218 -18.237 -4.012 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.345 -16.052 -3.433 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.960 -14.823 -4.662 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.461 -15.772 -4.790 1.00 0.00 H new ATOM 1202 N SER A 84 -7.403 -14.257 -7.622 1.00 0.00 N ATOM 1203 CA SER A 84 -6.744 -13.199 -8.369 1.00 0.00 C ATOM 1204 C SER A 84 -6.605 -11.990 -7.461 1.00 0.00 C ATOM 1205 O SER A 84 -7.619 -11.388 -7.097 1.00 0.00 O ATOM 1206 CB SER A 84 -7.591 -12.864 -9.595 1.00 0.00 C ATOM 1207 OG SER A 84 -7.892 -14.013 -10.357 1.00 0.00 O ATOM 0 H SER A 84 -8.375 -14.040 -7.400 1.00 0.00 H new ATOM 0 HA SER A 84 -5.754 -13.510 -8.703 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.518 -12.387 -9.276 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.060 -12.144 -10.218 1.00 0.00 H new ATOM 0 HG SER A 84 -8.436 -13.759 -11.131 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.389 -11.641 -7.050 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.161 -10.655 -6.004 1.00 0.00 C ATOM 1215 C LEU A 85 -4.299 -9.503 -6.521 1.00 0.00 C ATOM 1216 O LEU A 85 -3.112 -9.678 -6.813 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.551 -11.324 -4.766 1.00 0.00 C ATOM 1218 CG LEU A 85 -5.617 -11.705 -3.726 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -6.397 -12.954 -4.131 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -4.984 -11.934 -2.356 1.00 0.00 C ATOM 0 H LEU A 85 -4.532 -12.037 -7.436 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.118 -10.227 -5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.007 -12.218 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.827 -10.649 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.312 -10.867 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.138 -13.184 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.900 -12.777 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.710 -13.794 -4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.759 -12.202 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.255 -12.742 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.486 -11.022 -2.028 1.00 0.00 H new ATOM 1232 N ILE A 86 -4.896 -8.315 -6.620 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.254 -7.088 -7.099 1.00 0.00 C ATOM 1234 C ILE A 86 -3.630 -6.401 -5.889 1.00 0.00 C ATOM 1235 O ILE A 86 -4.239 -6.423 -4.809 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.274 -6.179 -7.817 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.061 -7.045 -8.831 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.610 -4.963 -8.475 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -6.852 -6.296 -9.893 1.00 0.00 C ATOM 0 H ILE A 86 -5.872 -8.174 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.481 -7.314 -7.833 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.965 -5.759 -7.086 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.356 -7.707 -9.334 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.752 -7.679 -8.275 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.370 -4.355 -8.967 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.106 -4.368 -7.714 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.882 -5.301 -9.213 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.358 -7.011 -10.541 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.591 -5.656 -9.412 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.174 -5.684 -10.488 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.445 -5.805 -6.050 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.751 -5.099 -4.984 1.00 0.00 C ATOM 1253 C ILE A 87 -1.187 -3.766 -5.461 1.00 0.00 C ATOM 1254 O ILE A 87 -0.754 -3.615 -6.605 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.677 -5.985 -4.307 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.509 -6.396 -5.208 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.338 -7.237 -3.733 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.710 -5.468 -5.008 1.00 0.00 C ATOM 0 H ILE A 87 -1.940 -5.803 -6.936 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.491 -4.868 -4.217 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.242 -5.363 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.799 -7.423 -4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.199 -6.373 -6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.582 -7.861 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.087 -6.948 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.817 -7.797 -4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.527 -5.785 -5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.425 -4.446 -5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.034 -5.512 -3.968 1.00 0.00 H new ATOM 1270 N HIS A 88 -1.176 -2.797 -4.550 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.677 -1.454 -4.792 1.00 0.00 C ATOM 1272 C HIS A 88 0.849 -1.461 -4.720 1.00 0.00 C ATOM 1273 O HIS A 88 1.425 -1.396 -3.633 1.00 0.00 O ATOM 1274 CB HIS A 88 -1.334 -0.464 -3.813 1.00 0.00 C ATOM 1275 CG HIS A 88 -1.954 0.731 -4.491 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -3.292 0.961 -4.727 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -1.266 1.799 -4.995 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -3.401 2.140 -5.358 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -2.194 2.704 -5.515 1.00 0.00 N ATOM 0 H HIS A 88 -1.523 -2.931 -3.600 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.946 -1.117 -5.793 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -2.101 -0.986 -3.241 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.585 -0.119 -3.100 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.193 1.922 -4.992 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.331 2.575 -5.693 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.994 3.613 -5.931 1.00 0.00 H new ATOM 1287 N ARG A 89 1.505 -1.558 -5.876 1.00 0.00 N ATOM 1288 CA ARG A 89 2.939 -1.367 -6.066 1.00 0.00 C ATOM 1289 C ARG A 89 3.096 -0.847 -7.485 1.00 0.00 C ATOM 1290 O ARG A 89 2.593 -1.484 -8.409 1.00 0.00 O ATOM 1291 CB ARG A 89 3.671 -2.698 -5.835 1.00 0.00 C ATOM 1292 CG ARG A 89 5.163 -2.705 -6.198 1.00 0.00 C ATOM 1293 CD ARG A 89 5.879 -3.781 -5.368 1.00 0.00 C ATOM 1294 NE ARG A 89 7.081 -4.304 -6.036 1.00 0.00 N ATOM 1295 CZ ARG A 89 7.603 -5.521 -5.826 1.00 0.00 C ATOM 1296 NH1 ARG A 89 7.135 -6.306 -4.862 1.00 0.00 N ATOM 1297 NH2 ARG A 89 8.578 -5.972 -6.606 1.00 0.00 N ATOM 0 H ARG A 89 1.025 -1.783 -6.747 1.00 0.00 H new ATOM 0 HA ARG A 89 3.374 -0.660 -5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.570 -2.971 -4.785 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.170 -3.473 -6.415 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.290 -2.905 -7.262 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.602 -1.726 -6.003 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.158 -3.363 -4.401 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.190 -4.603 -5.173 1.00 0.00 H new ATOM 0 HE ARG A 89 7.551 -3.697 -6.707 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.369 -5.985 -4.270 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.542 -7.230 -4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.932 -5.392 -7.367 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.973 -6.898 -6.444 1.00 0.00 H new ATOM 1311 N GLY A 90 3.738 0.304 -7.651 1.00 0.00 N ATOM 1312 CA GLY A 90 3.767 1.020 -8.909 1.00 0.00 C ATOM 1313 C GLY A 90 4.653 2.247 -8.765 1.00 0.00 C ATOM 1314 O GLY A 90 4.195 3.278 -8.277 1.00 0.00 O ATOM 0 H GLY A 90 4.257 0.766 -6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.146 0.374 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.758 1.317 -9.196 1.00 0.00 H new ATOM 1318 N SER A 91 5.917 2.106 -9.157 1.00 0.00 N ATOM 1319 CA SER A 91 6.892 3.178 -9.317 1.00 0.00 C ATOM 1320 C SER A 91 7.753 2.756 -10.516 1.00 0.00 C ATOM 1321 O SER A 91 7.264 2.705 -11.651 1.00 0.00 O ATOM 1322 CB SER A 91 7.709 3.377 -8.021 1.00 0.00 C ATOM 1323 OG SER A 91 6.914 3.591 -6.877 1.00 0.00 O ATOM 0 H SER A 91 6.308 1.191 -9.383 1.00 0.00 H new ATOM 0 HA SER A 91 6.429 4.147 -9.501 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.335 2.500 -7.858 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.379 4.227 -8.151 1.00 0.00 H new ATOM 0 HG SER A 91 7.492 3.707 -6.094 1.00 0.00 H new ATOM 1329 N GLY A 92 8.986 2.314 -10.266 1.00 0.00 N ATOM 1330 CA GLY A 92 9.763 1.454 -11.134 1.00 0.00 C ATOM 1331 C GLY A 92 10.804 0.714 -10.295 1.00 0.00 C ATOM 1332 O GLY A 92 10.837 0.881 -9.067 1.00 0.00 O ATOM 0 H GLY A 92 9.485 2.562 -9.412 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.111 0.742 -11.640 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.253 2.044 -11.908 1.00 0.00 H new ATOM 1336 N PRO A 93 11.621 -0.137 -10.926 1.00 0.00 N ATOM 1337 CA PRO A 93 12.758 -0.770 -10.291 1.00 0.00 C ATOM 1338 C PRO A 93 13.921 0.226 -10.260 1.00 0.00 C ATOM 1339 O PRO A 93 14.570 0.463 -11.287 1.00 0.00 O ATOM 1340 CB PRO A 93 13.049 -1.999 -11.144 1.00 0.00 C ATOM 1341 CG PRO A 93 12.474 -1.696 -12.529 1.00 0.00 C ATOM 1342 CD PRO A 93 11.536 -0.504 -12.331 1.00 0.00 C ATOM 0 HA PRO A 93 12.583 -1.067 -9.257 1.00 0.00 H new ATOM 0 HB2 PRO A 93 14.121 -2.191 -11.200 1.00 0.00 H new ATOM 0 HB3 PRO A 93 12.588 -2.889 -10.716 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.266 -1.458 -13.239 1.00 0.00 H new ATOM 0 HG3 PRO A 93 11.936 -2.556 -12.927 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.830 0.330 -12.968 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.513 -0.767 -12.602 1.00 0.00 H new ATOM 1350 N SER A 94 14.168 0.840 -9.105 1.00 0.00 N ATOM 1351 CA SER A 94 15.208 1.840 -8.924 1.00 0.00 C ATOM 1352 C SER A 94 15.923 1.602 -7.592 1.00 0.00 C ATOM 1353 O SER A 94 15.307 1.202 -6.598 1.00 0.00 O ATOM 1354 CB SER A 94 14.572 3.234 -9.018 1.00 0.00 C ATOM 1355 OG SER A 94 13.549 3.378 -8.046 1.00 0.00 O ATOM 0 H SER A 94 13.638 0.650 -8.254 1.00 0.00 H new ATOM 0 HA SER A 94 15.964 1.766 -9.706 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.334 3.999 -8.869 1.00 0.00 H new ATOM 0 HB3 SER A 94 14.159 3.386 -10.015 1.00 0.00 H new ATOM 0 HG SER A 94 13.154 4.272 -8.117 1.00 0.00 H new ATOM 1361 N SER A 95 17.232 1.822 -7.568 1.00 0.00 N ATOM 1362 CA SER A 95 18.066 1.877 -6.384 1.00 0.00 C ATOM 1363 C SER A 95 18.516 3.330 -6.246 1.00 0.00 C ATOM 1364 O SER A 95 19.420 3.777 -6.961 1.00 0.00 O ATOM 1365 CB SER A 95 19.288 0.969 -6.536 1.00 0.00 C ATOM 1366 OG SER A 95 19.020 -0.424 -6.430 1.00 0.00 O ATOM 0 H SER A 95 17.765 1.975 -8.424 1.00 0.00 H new ATOM 0 HA SER A 95 17.516 1.537 -5.507 1.00 0.00 H new ATOM 0 HB2 SER A 95 19.747 1.162 -7.506 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.021 1.241 -5.776 1.00 0.00 H new ATOM 0 HG SER A 95 19.854 -0.927 -6.541 1.00 0.00 H new ATOM 1372 N GLY A 96 17.899 4.054 -5.314 1.00 0.00 N ATOM 1373 CA GLY A 96 18.182 5.463 -5.093 1.00 0.00 C ATOM 1374 C GLY A 96 17.770 6.299 -6.286 1.00 0.00 C ATOM 1375 O GLY A 96 18.356 7.392 -6.397 1.00 0.00 O ATOM 0 H GLY A 96 17.187 3.674 -4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.653 5.808 -4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.247 5.597 -4.902 1.00 0.00 H new TER 1379 GLY A 96