USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 60 ASN : amide:sc= -0.0755 X(o=0.43,f=0.44) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.781! C(o=0.43!,f=-1.7!) USER MOD Set 1.3: A 65 SER OG : rot 97:sc= 1.29 USER MOD Set 2.1: A 40 GLN : amide:sc= 0.419 K(o=0.53,f=-3.8) USER MOD Set 2.2: A 41 ASN : amide:sc= 0.112 K(o=0.53,f=-2.5) USER MOD Set 3.1: A 22 THR OG1 : rot 90:sc= 1.31 USER MOD Set 3.2: A 25 ASN : amide:sc= 1.17 K(o=2.5,f=1.2) USER MOD Set 4.1: A 6 LYS NZ :NH3+ 165:sc= 0.671 (180deg=0.547) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.49) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 1.23 (180deg=1.06) USER MOD Single : A 14 THR OG1 : rot -64:sc= 0.00687 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -114:sc= 2.09 (180deg=0.402) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 1.03 (180deg=1.01) USER MOD Single : A 31 GLN : amide:sc= 0.764 K(o=0.76,f=-0.00051) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= -0.0305 (180deg=-0.194) USER MOD Single : A 49 GLN : amide:sc= -0.0803 K(o=-0.08,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 152:sc= 0.649 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0559 X(o=-0.056,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -5.127 -11.299 4.527 1.00 0.00 N ATOM 21 CA GLN A 2 -3.802 -10.682 4.636 1.00 0.00 C ATOM 22 C GLN A 2 -3.268 -10.271 3.254 1.00 0.00 C ATOM 23 O GLN A 2 -3.417 -11.017 2.282 1.00 0.00 O ATOM 24 CB GLN A 2 -2.868 -11.629 5.408 1.00 0.00 C ATOM 25 CG GLN A 2 -1.455 -11.065 5.620 1.00 0.00 C ATOM 26 CD GLN A 2 -0.780 -11.647 6.861 1.00 0.00 C ATOM 27 OE1 GLN A 2 -1.052 -11.271 7.990 1.00 0.00 O ATOM 28 NE2 GLN A 2 0.093 -12.620 6.719 1.00 0.00 N ATOM 0 HA GLN A 2 -3.863 -9.754 5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.311 -11.850 6.379 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.796 -12.573 4.868 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.845 -11.280 4.743 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.509 -9.980 5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.338 -12.953 5.787 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.525 -13.042 7.541 1.00 0.00 H new ATOM 37 N ILE A 3 -2.636 -9.096 3.178 1.00 0.00 N ATOM 38 CA ILE A 3 -2.058 -8.524 1.949 1.00 0.00 C ATOM 39 C ILE A 3 -0.625 -8.043 2.209 1.00 0.00 C ATOM 40 O ILE A 3 -0.219 -7.831 3.358 1.00 0.00 O ATOM 41 CB ILE A 3 -2.944 -7.390 1.372 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.003 -6.160 2.313 1.00 0.00 C ATOM 43 CG2 ILE A 3 -4.349 -7.912 1.022 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.701 -4.933 1.713 1.00 0.00 C ATOM 0 H ILE A 3 -2.506 -8.495 3.992 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.023 -9.309 1.194 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.477 -7.050 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.520 -6.444 3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.986 -5.883 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.950 -7.097 0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.268 -8.705 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.825 -8.305 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.696 -4.120 2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.173 -4.618 0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.730 -5.187 1.460 1.00 0.00 H new ATOM 56 N PHE A 4 0.129 -7.843 1.128 1.00 0.00 N ATOM 57 CA PHE A 4 1.547 -7.495 1.150 1.00 0.00 C ATOM 58 C PHE A 4 1.853 -6.209 0.374 1.00 0.00 C ATOM 59 O PHE A 4 1.168 -5.887 -0.596 1.00 0.00 O ATOM 60 CB PHE A 4 2.366 -8.669 0.597 1.00 0.00 C ATOM 61 CG PHE A 4 2.189 -9.975 1.350 1.00 0.00 C ATOM 62 CD1 PHE A 4 2.764 -10.150 2.625 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.435 -11.016 0.777 1.00 0.00 C ATOM 64 CE1 PHE A 4 2.592 -11.366 3.313 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.259 -12.228 1.466 1.00 0.00 C ATOM 66 CZ PHE A 4 1.838 -12.403 2.736 1.00 0.00 C ATOM 0 H PHE A 4 -0.244 -7.922 0.182 1.00 0.00 H new ATOM 0 HA PHE A 4 1.826 -7.302 2.186 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.092 -8.826 -0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.421 -8.397 0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.336 -9.352 3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.989 -10.883 -0.198 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.040 -11.503 4.286 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.680 -13.024 1.021 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.703 -13.333 3.268 1.00 0.00 H new ATOM 76 N VAL A 5 2.924 -5.499 0.751 1.00 0.00 N ATOM 77 CA VAL A 5 3.469 -4.345 0.002 1.00 0.00 C ATOM 78 C VAL A 5 4.953 -4.503 -0.312 1.00 0.00 C ATOM 79 O VAL A 5 5.729 -4.873 0.565 1.00 0.00 O ATOM 80 CB VAL A 5 3.182 -2.982 0.664 1.00 0.00 C ATOM 81 CG1 VAL A 5 3.453 -1.824 -0.305 1.00 0.00 C ATOM 82 CG2 VAL A 5 1.752 -2.854 1.203 1.00 0.00 C ATOM 0 H VAL A 5 3.450 -5.709 1.599 1.00 0.00 H new ATOM 0 HA VAL A 5 2.926 -4.345 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 5 3.864 -2.928 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.241 -0.877 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.498 -1.846 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.813 -1.925 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.620 -1.871 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.042 -2.975 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.576 -3.625 1.953 1.00 0.00 H new ATOM 92 N LYS A 6 5.372 -4.193 -1.541 1.00 0.00 N ATOM 93 CA LYS A 6 6.759 -4.246 -2.020 1.00 0.00 C ATOM 94 C LYS A 6 7.334 -2.837 -1.950 1.00 0.00 C ATOM 95 O LYS A 6 6.884 -1.983 -2.703 1.00 0.00 O ATOM 96 CB LYS A 6 6.719 -4.839 -3.451 1.00 0.00 C ATOM 97 CG LYS A 6 7.874 -4.512 -4.414 1.00 0.00 C ATOM 98 CD LYS A 6 9.105 -5.431 -4.331 1.00 0.00 C ATOM 99 CE LYS A 6 9.790 -5.541 -2.962 1.00 0.00 C ATOM 100 NZ LYS A 6 9.369 -6.729 -2.173 1.00 0.00 N ATOM 0 H LYS A 6 4.724 -3.883 -2.265 1.00 0.00 H new ATOM 0 HA LYS A 6 7.409 -4.880 -1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.661 -5.924 -3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.792 -4.509 -3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.490 -4.544 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.197 -3.488 -4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.805 -6.431 -4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.842 -5.079 -5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.869 -5.578 -3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.577 -4.640 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.038 -6.882 -1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.417 -6.569 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.357 -7.568 -2.788 1.00 0.00 H new ATOM 114 N THR A 7 8.297 -2.580 -1.067 1.00 0.00 N ATOM 115 CA THR A 7 9.010 -1.296 -1.031 1.00 0.00 C ATOM 116 C THR A 7 10.156 -1.171 -2.035 1.00 0.00 C ATOM 117 O THR A 7 10.634 -2.167 -2.583 1.00 0.00 O ATOM 118 CB THR A 7 9.409 -0.801 0.380 1.00 0.00 C ATOM 119 OG1 THR A 7 10.744 -1.132 0.690 1.00 0.00 O ATOM 120 CG2 THR A 7 8.535 -1.326 1.518 1.00 0.00 C ATOM 0 H THR A 7 8.606 -3.247 -0.360 1.00 0.00 H new ATOM 0 HA THR A 7 8.242 -0.601 -1.370 1.00 0.00 H new ATOM 0 HB THR A 7 9.268 0.278 0.316 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.963 -0.803 1.587 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.892 -0.924 2.466 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.503 -1.014 1.358 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.585 -2.415 1.543 1.00 0.00 H new ATOM 128 N LEU A 8 10.606 0.067 -2.233 1.00 0.00 N ATOM 129 CA LEU A 8 11.721 0.447 -3.107 1.00 0.00 C ATOM 130 C LEU A 8 13.041 -0.241 -2.718 1.00 0.00 C ATOM 131 O LEU A 8 13.854 -0.540 -3.584 1.00 0.00 O ATOM 132 CB LEU A 8 11.883 1.976 -3.018 1.00 0.00 C ATOM 133 CG LEU A 8 10.659 2.782 -3.501 1.00 0.00 C ATOM 134 CD1 LEU A 8 10.633 4.137 -2.804 1.00 0.00 C ATOM 135 CD2 LEU A 8 10.695 3.001 -5.012 1.00 0.00 C ATOM 0 H LEU A 8 10.185 0.872 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 8 11.493 0.126 -4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.094 2.246 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.751 2.271 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 8 9.764 2.211 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.768 4.705 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.568 3.990 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.545 4.686 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.818 3.572 -5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.597 3.551 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.695 2.036 -5.520 1.00 0.00 H new ATOM 147 N THR A 9 13.246 -0.514 -1.424 1.00 0.00 N ATOM 148 CA THR A 9 14.413 -1.240 -0.883 1.00 0.00 C ATOM 149 C THR A 9 14.292 -2.762 -0.811 1.00 0.00 C ATOM 150 O THR A 9 14.815 -3.386 0.105 1.00 0.00 O ATOM 151 CB THR A 9 15.027 -0.583 0.376 1.00 0.00 C ATOM 152 OG1 THR A 9 14.714 0.790 0.476 1.00 0.00 O ATOM 153 CG2 THR A 9 16.549 -0.687 0.422 1.00 0.00 C ATOM 0 H THR A 9 12.588 -0.230 -0.699 1.00 0.00 H new ATOM 0 HA THR A 9 15.161 -1.114 -1.666 1.00 0.00 H new ATOM 0 HB THR A 9 14.587 -1.140 1.203 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.122 1.160 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.919 -0.208 1.328 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.842 -1.737 0.421 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.974 -0.191 -0.450 1.00 0.00 H new ATOM 161 N GLY A 10 13.503 -3.372 -1.701 1.00 0.00 N ATOM 162 CA GLY A 10 13.275 -4.831 -1.753 1.00 0.00 C ATOM 163 C GLY A 10 12.401 -5.408 -0.628 1.00 0.00 C ATOM 164 O GLY A 10 11.777 -6.456 -0.816 1.00 0.00 O ATOM 0 H GLY A 10 12.993 -2.862 -2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.812 -5.074 -2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.242 -5.333 -1.731 1.00 0.00 H new ATOM 168 N LYS A 11 12.280 -4.703 0.505 1.00 0.00 N ATOM 169 CA LYS A 11 11.474 -5.070 1.683 1.00 0.00 C ATOM 170 C LYS A 11 10.026 -5.413 1.314 1.00 0.00 C ATOM 171 O LYS A 11 9.433 -4.846 0.391 1.00 0.00 O ATOM 172 CB LYS A 11 11.547 -3.926 2.723 1.00 0.00 C ATOM 173 CG LYS A 11 12.254 -4.309 4.038 1.00 0.00 C ATOM 174 CD LYS A 11 11.362 -4.993 5.095 1.00 0.00 C ATOM 175 CE LYS A 11 10.212 -4.121 5.634 1.00 0.00 C ATOM 176 NZ LYS A 11 10.661 -2.881 6.321 1.00 0.00 N ATOM 0 H LYS A 11 12.766 -3.815 0.634 1.00 0.00 H new ATOM 0 HA LYS A 11 11.890 -5.978 2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.068 -3.078 2.278 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.534 -3.594 2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.085 -4.974 3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.681 -3.407 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.939 -5.899 4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.988 -5.302 5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.558 -3.848 4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.616 -4.713 6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.893 -2.520 6.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.492 -3.092 6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.912 -2.163 5.612 1.00 0.00 H new ATOM 190 N THR A 12 9.459 -6.349 2.067 1.00 0.00 N ATOM 191 CA THR A 12 8.029 -6.687 2.044 1.00 0.00 C ATOM 192 C THR A 12 7.359 -6.284 3.355 1.00 0.00 C ATOM 193 O THR A 12 7.907 -6.532 4.425 1.00 0.00 O ATOM 194 CB THR A 12 7.789 -8.158 1.673 1.00 0.00 C ATOM 195 OG1 THR A 12 8.484 -8.461 0.478 1.00 0.00 O ATOM 196 CG2 THR A 12 6.318 -8.491 1.433 1.00 0.00 C ATOM 0 H THR A 12 9.991 -6.913 2.731 1.00 0.00 H new ATOM 0 HA THR A 12 7.556 -6.107 1.252 1.00 0.00 H new ATOM 0 HB THR A 12 8.142 -8.745 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.333 -9.400 0.241 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.221 -9.546 1.175 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.746 -8.284 2.338 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.936 -7.881 0.615 1.00 0.00 H new ATOM 204 N ILE A 13 6.205 -5.623 3.267 1.00 0.00 N ATOM 205 CA ILE A 13 5.331 -5.259 4.390 1.00 0.00 C ATOM 206 C ILE A 13 4.142 -6.221 4.425 1.00 0.00 C ATOM 207 O ILE A 13 3.668 -6.621 3.363 1.00 0.00 O ATOM 208 CB ILE A 13 4.814 -3.808 4.239 1.00 0.00 C ATOM 209 CG1 ILE A 13 5.846 -2.816 3.653 1.00 0.00 C ATOM 210 CG2 ILE A 13 4.240 -3.281 5.564 1.00 0.00 C ATOM 211 CD1 ILE A 13 7.195 -2.796 4.376 1.00 0.00 C ATOM 0 H ILE A 13 5.834 -5.310 2.370 1.00 0.00 H new ATOM 0 HA ILE A 13 5.901 -5.326 5.317 1.00 0.00 H new ATOM 0 HB ILE A 13 4.015 -3.867 3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.014 -3.065 2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.421 -1.813 3.678 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.885 -2.260 5.426 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.410 -3.914 5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.017 -3.295 6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.854 -2.072 3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.045 -2.515 5.418 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.648 -3.786 4.329 1.00 0.00 H new ATOM 223 N THR A 14 3.623 -6.520 5.615 1.00 0.00 N ATOM 224 CA THR A 14 2.454 -7.388 5.841 1.00 0.00 C ATOM 225 C THR A 14 1.324 -6.673 6.583 1.00 0.00 C ATOM 226 O THR A 14 1.569 -6.070 7.629 1.00 0.00 O ATOM 227 CB THR A 14 2.868 -8.687 6.556 1.00 0.00 C ATOM 228 OG1 THR A 14 4.014 -9.249 5.957 1.00 0.00 O ATOM 229 CG2 THR A 14 1.772 -9.739 6.541 1.00 0.00 C ATOM 0 H THR A 14 4.014 -6.155 6.483 1.00 0.00 H new ATOM 0 HA THR A 14 2.056 -7.650 4.861 1.00 0.00 H new ATOM 0 HB THR A 14 3.072 -8.403 7.588 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.804 -9.520 5.039 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.119 -10.633 7.059 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.887 -9.349 7.043 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.523 -9.990 5.510 1.00 0.00 H new ATOM 237 N LEU A 15 0.091 -6.718 6.059 1.00 0.00 N ATOM 238 CA LEU A 15 -1.053 -5.959 6.594 1.00 0.00 C ATOM 239 C LEU A 15 -2.316 -6.813 6.772 1.00 0.00 C ATOM 240 O LEU A 15 -2.641 -7.671 5.952 1.00 0.00 O ATOM 241 CB LEU A 15 -1.358 -4.739 5.705 1.00 0.00 C ATOM 242 CG LEU A 15 -0.235 -3.691 5.634 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.533 -2.686 4.520 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.068 -2.917 6.943 1.00 0.00 C ATOM 0 H LEU A 15 -0.144 -7.286 5.245 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.758 -5.622 7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.573 -5.089 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.263 -4.256 6.074 1.00 0.00 H new ATOM 0 HG LEU A 15 0.688 -4.236 5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.266 -1.946 4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.598 -3.209 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.480 -2.186 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.738 -2.191 6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.996 -2.397 7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.173 -3.611 7.748 1.00 0.00 H new ATOM 256 N GLU A 16 -3.041 -6.517 7.851 1.00 0.00 N ATOM 257 CA GLU A 16 -4.272 -7.196 8.264 1.00 0.00 C ATOM 258 C GLU A 16 -5.513 -6.356 7.916 1.00 0.00 C ATOM 259 O GLU A 16 -5.740 -5.282 8.485 1.00 0.00 O ATOM 260 CB GLU A 16 -4.182 -7.526 9.763 1.00 0.00 C ATOM 261 CG GLU A 16 -5.396 -8.318 10.273 1.00 0.00 C ATOM 262 CD GLU A 16 -5.274 -8.728 11.753 1.00 0.00 C ATOM 263 OE1 GLU A 16 -4.250 -8.411 12.393 1.00 0.00 O ATOM 264 OE2 GLU A 16 -6.242 -9.375 12.247 1.00 0.00 O ATOM 0 H GLU A 16 -2.776 -5.766 8.489 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.380 -8.131 7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.275 -8.101 9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.095 -6.599 10.330 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.295 -7.716 10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.520 -9.213 9.664 1.00 0.00 H new ATOM 271 N VAL A 17 -6.311 -6.862 6.971 1.00 0.00 N ATOM 272 CA VAL A 17 -7.496 -6.208 6.383 1.00 0.00 C ATOM 273 C VAL A 17 -8.597 -7.230 6.064 1.00 0.00 C ATOM 274 O VAL A 17 -8.343 -8.438 5.964 1.00 0.00 O ATOM 275 CB VAL A 17 -7.116 -5.420 5.101 1.00 0.00 C ATOM 276 CG1 VAL A 17 -6.097 -4.306 5.372 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.554 -6.300 3.979 1.00 0.00 C ATOM 0 H VAL A 17 -6.144 -7.786 6.572 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.882 -5.507 7.124 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.064 -4.991 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.868 -3.788 4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.514 -3.598 6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.184 -4.739 5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.312 -5.679 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.653 -6.804 4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.298 -7.044 3.693 1.00 0.00 H new ATOM 287 N GLU A 18 -9.825 -6.735 5.905 1.00 0.00 N ATOM 288 CA GLU A 18 -10.988 -7.477 5.388 1.00 0.00 C ATOM 289 C GLU A 18 -11.212 -7.184 3.893 1.00 0.00 C ATOM 290 O GLU A 18 -10.915 -6.077 3.451 1.00 0.00 O ATOM 291 CB GLU A 18 -12.243 -7.108 6.219 1.00 0.00 C ATOM 292 CG GLU A 18 -12.368 -7.957 7.505 1.00 0.00 C ATOM 293 CD GLU A 18 -13.119 -9.274 7.264 1.00 0.00 C ATOM 294 OE1 GLU A 18 -14.262 -9.237 6.784 1.00 0.00 O ATOM 295 OE2 GLU A 18 -12.585 -10.372 7.584 1.00 0.00 O ATOM 0 H GLU A 18 -10.051 -5.769 6.141 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.798 -8.546 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.201 -6.052 6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.134 -7.247 5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.373 -8.175 7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.888 -7.380 8.270 1.00 0.00 H new ATOM 302 N PRO A 19 -11.825 -8.088 3.097 1.00 0.00 N ATOM 303 CA PRO A 19 -12.205 -7.823 1.692 1.00 0.00 C ATOM 304 C PRO A 19 -13.161 -6.622 1.514 1.00 0.00 C ATOM 305 O PRO A 19 -13.233 -6.024 0.436 1.00 0.00 O ATOM 306 CB PRO A 19 -12.860 -9.118 1.198 1.00 0.00 C ATOM 307 CG PRO A 19 -13.410 -9.760 2.473 1.00 0.00 C ATOM 308 CD PRO A 19 -12.369 -9.373 3.519 1.00 0.00 C ATOM 0 HA PRO A 19 -11.321 -7.547 1.118 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.653 -8.916 0.478 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.138 -9.767 0.703 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.399 -9.377 2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.502 -10.842 2.374 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.821 -9.298 4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.583 -10.126 3.583 1.00 0.00 H new ATOM 316 N SER A 20 -13.880 -6.268 2.582 1.00 0.00 N ATOM 317 CA SER A 20 -14.776 -5.118 2.670 1.00 0.00 C ATOM 318 C SER A 20 -14.065 -3.776 2.898 1.00 0.00 C ATOM 319 O SER A 20 -14.704 -2.737 2.736 1.00 0.00 O ATOM 320 CB SER A 20 -15.785 -5.364 3.796 1.00 0.00 C ATOM 321 OG SER A 20 -16.549 -6.519 3.494 1.00 0.00 O ATOM 0 H SER A 20 -13.850 -6.803 3.450 1.00 0.00 H new ATOM 0 HA SER A 20 -15.268 -5.031 1.701 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.264 -5.496 4.745 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.440 -4.500 3.909 1.00 0.00 H new ATOM 0 HG SER A 20 -17.195 -6.681 4.213 1.00 0.00 H new ATOM 327 N ASP A 21 -12.777 -3.769 3.268 1.00 0.00 N ATOM 328 CA ASP A 21 -12.021 -2.537 3.524 1.00 0.00 C ATOM 329 C ASP A 21 -11.956 -1.553 2.343 1.00 0.00 C ATOM 330 O ASP A 21 -11.546 -1.877 1.220 1.00 0.00 O ATOM 331 CB ASP A 21 -10.647 -2.813 4.175 1.00 0.00 C ATOM 332 CG ASP A 21 -10.690 -3.167 5.673 1.00 0.00 C ATOM 333 OD1 ASP A 21 -11.646 -2.753 6.370 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.727 -3.794 6.171 1.00 0.00 O ATOM 0 H ASP A 21 -12.230 -4.620 3.398 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.613 -1.999 4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.167 -3.631 3.638 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.018 -1.933 4.044 1.00 0.00 H new ATOM 339 N THR A 22 -12.377 -0.320 2.613 1.00 0.00 N ATOM 340 CA THR A 22 -12.307 0.819 1.700 1.00 0.00 C ATOM 341 C THR A 22 -10.827 1.198 1.571 1.00 0.00 C ATOM 342 O THR A 22 -10.007 0.998 2.471 1.00 0.00 O ATOM 343 CB THR A 22 -13.098 2.015 2.271 1.00 0.00 C ATOM 344 OG1 THR A 22 -13.301 1.900 3.661 1.00 0.00 O ATOM 345 CG2 THR A 22 -14.491 2.075 1.651 1.00 0.00 C ATOM 0 H THR A 22 -12.794 -0.076 3.512 1.00 0.00 H new ATOM 0 HA THR A 22 -12.737 0.561 0.732 1.00 0.00 H new ATOM 0 HB THR A 22 -12.507 2.902 2.043 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.557 2.324 4.137 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.037 2.924 2.064 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.404 2.190 0.571 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.029 1.154 1.875 1.00 0.00 H new ATOM 353 N ILE A 23 -10.462 1.792 0.431 1.00 0.00 N ATOM 354 CA ILE A 23 -9.069 2.123 0.105 1.00 0.00 C ATOM 355 C ILE A 23 -8.448 3.110 1.117 1.00 0.00 C ATOM 356 O ILE A 23 -7.238 3.059 1.338 1.00 0.00 O ATOM 357 CB ILE A 23 -8.991 2.585 -1.375 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.294 1.437 -2.373 1.00 0.00 C ATOM 359 CG2 ILE A 23 -7.637 3.212 -1.740 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.355 0.222 -2.347 1.00 0.00 C ATOM 0 H ILE A 23 -11.126 2.058 -0.296 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.448 1.232 0.200 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.763 3.349 -1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.308 1.085 -2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.282 1.853 -3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.646 3.514 -2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.459 4.085 -1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.843 2.482 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.679 -0.504 -3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.338 0.543 -2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.380 -0.236 -1.358 1.00 0.00 H new ATOM 372 N GLU A 24 -9.249 3.951 1.792 1.00 0.00 N ATOM 373 CA GLU A 24 -8.774 4.788 2.909 1.00 0.00 C ATOM 374 C GLU A 24 -8.414 3.986 4.176 1.00 0.00 C ATOM 375 O GLU A 24 -7.341 4.221 4.721 1.00 0.00 O ATOM 376 CB GLU A 24 -9.705 5.991 3.180 1.00 0.00 C ATOM 377 CG GLU A 24 -11.207 5.719 3.385 1.00 0.00 C ATOM 378 CD GLU A 24 -11.530 4.985 4.692 1.00 0.00 C ATOM 379 OE1 GLU A 24 -11.392 5.572 5.787 1.00 0.00 O ATOM 380 OE2 GLU A 24 -11.876 3.785 4.580 1.00 0.00 O ATOM 0 H GLU A 24 -10.240 4.070 1.581 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.825 5.212 2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.336 6.504 4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.603 6.685 2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.744 6.667 3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.578 5.129 2.547 1.00 0.00 H new ATOM 387 N ASN A 25 -9.201 2.981 4.584 1.00 0.00 N ATOM 388 CA ASN A 25 -8.910 2.103 5.730 1.00 0.00 C ATOM 389 C ASN A 25 -7.521 1.460 5.601 1.00 0.00 C ATOM 390 O ASN A 25 -6.723 1.466 6.539 1.00 0.00 O ATOM 391 CB ASN A 25 -10.019 1.022 5.845 1.00 0.00 C ATOM 392 CG ASN A 25 -10.959 1.259 7.011 1.00 0.00 C ATOM 393 OD1 ASN A 25 -10.877 0.624 8.057 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.901 2.153 6.865 1.00 0.00 N ATOM 0 H ASN A 25 -10.078 2.749 4.117 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.901 2.702 6.641 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.595 1.000 4.920 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.554 0.042 5.954 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.566 2.321 7.620 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.971 2.682 5.996 1.00 0.00 H new ATOM 401 N VAL A 26 -7.195 0.965 4.405 1.00 0.00 N ATOM 402 CA VAL A 26 -5.875 0.401 4.083 1.00 0.00 C ATOM 403 C VAL A 26 -4.761 1.451 4.019 1.00 0.00 C ATOM 404 O VAL A 26 -3.700 1.268 4.627 1.00 0.00 O ATOM 405 CB VAL A 26 -5.925 -0.449 2.802 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.663 -1.309 2.660 1.00 0.00 C ATOM 407 CG2 VAL A 26 -7.156 -1.366 2.774 1.00 0.00 C ATOM 0 H VAL A 26 -7.846 0.943 3.620 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.618 -0.254 4.915 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.987 0.250 1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.726 -1.899 1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.786 -0.663 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.579 -1.976 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.154 -1.949 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.127 -2.040 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.062 -0.761 2.818 1.00 0.00 H new ATOM 417 N LYS A 27 -5.007 2.583 3.338 1.00 0.00 N ATOM 418 CA LYS A 27 -4.082 3.734 3.300 1.00 0.00 C ATOM 419 C LYS A 27 -3.882 4.430 4.654 1.00 0.00 C ATOM 420 O LYS A 27 -2.906 5.163 4.772 1.00 0.00 O ATOM 421 CB LYS A 27 -4.465 4.714 2.166 1.00 0.00 C ATOM 422 CG LYS A 27 -3.763 4.330 0.844 1.00 0.00 C ATOM 423 CD LYS A 27 -4.406 4.837 -0.463 1.00 0.00 C ATOM 424 CE LYS A 27 -4.785 6.327 -0.494 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.022 6.809 -1.877 1.00 0.00 N ATOM 0 H LYS A 27 -5.858 2.728 2.794 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.098 3.327 3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.546 4.707 2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.187 5.729 2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.739 4.701 0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.706 3.243 0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.716 4.641 -1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.304 4.250 -0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.682 6.486 0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.988 6.914 -0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.292 7.505 -2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.980 6.006 -2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.960 7.255 -1.933 1.00 0.00 H new ATOM 439 N ALA A 28 -4.724 4.165 5.653 1.00 0.00 N ATOM 440 CA ALA A 28 -4.544 4.565 7.051 1.00 0.00 C ATOM 441 C ALA A 28 -3.773 3.509 7.870 1.00 0.00 C ATOM 442 O ALA A 28 -2.733 3.829 8.450 1.00 0.00 O ATOM 443 CB ALA A 28 -5.922 4.862 7.656 1.00 0.00 C ATOM 0 H ALA A 28 -5.588 3.643 5.505 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.930 5.465 7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.805 5.161 8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.398 5.668 7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.543 3.968 7.603 1.00 0.00 H new ATOM 449 N LYS A 29 -4.217 2.237 7.879 1.00 0.00 N ATOM 450 CA LYS A 29 -3.584 1.123 8.631 1.00 0.00 C ATOM 451 C LYS A 29 -2.067 1.013 8.412 1.00 0.00 C ATOM 452 O LYS A 29 -1.324 0.680 9.335 1.00 0.00 O ATOM 453 CB LYS A 29 -4.255 -0.217 8.249 1.00 0.00 C ATOM 454 CG LYS A 29 -5.597 -0.503 8.954 1.00 0.00 C ATOM 455 CD LYS A 29 -6.357 -1.636 8.228 1.00 0.00 C ATOM 456 CE LYS A 29 -7.575 -2.202 8.981 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.200 -3.276 9.939 1.00 0.00 N ATOM 0 H LYS A 29 -5.042 1.944 7.355 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.734 1.345 9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.419 -0.229 7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.564 -1.029 8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.417 -0.784 9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.207 0.400 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.691 -1.264 7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.660 -2.451 8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.073 -1.396 9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.293 -2.595 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.060 -3.683 10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.674 -4.020 9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.603 -2.877 10.692 1.00 0.00 H new ATOM 471 N ILE A 30 -1.596 1.321 7.202 1.00 0.00 N ATOM 472 CA ILE A 30 -0.167 1.269 6.853 1.00 0.00 C ATOM 473 C ILE A 30 0.694 2.277 7.644 1.00 0.00 C ATOM 474 O ILE A 30 1.865 1.992 7.910 1.00 0.00 O ATOM 475 CB ILE A 30 -0.002 1.454 5.329 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.385 0.928 4.904 1.00 0.00 C ATOM 477 CG2 ILE A 30 -0.207 2.910 4.875 1.00 0.00 C ATOM 478 CD1 ILE A 30 1.569 0.821 3.385 1.00 0.00 C ATOM 0 H ILE A 30 -2.194 1.615 6.430 1.00 0.00 H new ATOM 0 HA ILE A 30 0.205 0.286 7.142 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.784 0.878 4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.153 1.588 5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.543 -0.054 5.350 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.078 2.976 3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.213 3.236 5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.524 3.551 5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.568 0.444 3.165 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.825 0.137 2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.445 1.805 2.933 1.00 0.00 H new ATOM 490 N GLN A 31 0.158 3.439 8.036 1.00 0.00 N ATOM 491 CA GLN A 31 0.902 4.445 8.809 1.00 0.00 C ATOM 492 C GLN A 31 1.072 4.097 10.299 1.00 0.00 C ATOM 493 O GLN A 31 1.992 4.610 10.941 1.00 0.00 O ATOM 494 CB GLN A 31 0.259 5.831 8.648 1.00 0.00 C ATOM 495 CG GLN A 31 0.703 6.543 7.355 1.00 0.00 C ATOM 496 CD GLN A 31 -0.444 6.782 6.383 1.00 0.00 C ATOM 497 OE1 GLN A 31 -1.415 7.452 6.680 1.00 0.00 O ATOM 498 NE2 GLN A 31 -0.371 6.265 5.177 1.00 0.00 N ATOM 0 H GLN A 31 -0.803 3.710 7.827 1.00 0.00 H new ATOM 0 HA GLN A 31 1.909 4.455 8.392 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.826 5.726 8.647 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.518 6.450 9.507 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.159 7.499 7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.470 5.945 6.863 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.436 5.701 4.912 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.122 6.428 4.506 1.00 0.00 H new ATOM 507 N ASP A 32 0.229 3.202 10.814 1.00 0.00 N ATOM 508 CA ASP A 32 0.414 2.518 12.097 1.00 0.00 C ATOM 509 C ASP A 32 1.441 1.376 12.007 1.00 0.00 C ATOM 510 O ASP A 32 2.534 1.460 12.572 1.00 0.00 O ATOM 511 CB ASP A 32 -0.964 2.126 12.684 1.00 0.00 C ATOM 512 CG ASP A 32 -0.981 1.181 13.898 1.00 0.00 C ATOM 513 OD1 ASP A 32 0.091 0.717 14.344 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.099 0.917 14.395 1.00 0.00 O ATOM 0 H ASP A 32 -0.628 2.923 10.336 1.00 0.00 H new ATOM 0 HA ASP A 32 0.865 3.203 12.815 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.482 3.043 12.965 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.547 1.661 11.889 1.00 0.00 H new ATOM 519 N LYS A 33 1.112 0.339 11.226 1.00 0.00 N ATOM 520 CA LYS A 33 1.833 -0.948 11.230 1.00 0.00 C ATOM 521 C LYS A 33 3.270 -0.869 10.683 1.00 0.00 C ATOM 522 O LYS A 33 4.096 -1.683 11.089 1.00 0.00 O ATOM 523 CB LYS A 33 0.970 -2.001 10.490 1.00 0.00 C ATOM 524 CG LYS A 33 0.632 -3.251 11.335 1.00 0.00 C ATOM 525 CD LYS A 33 1.767 -4.289 11.397 1.00 0.00 C ATOM 526 CE LYS A 33 1.583 -5.380 12.471 1.00 0.00 C ATOM 527 NZ LYS A 33 0.464 -6.328 12.212 1.00 0.00 N ATOM 0 H LYS A 33 0.333 0.366 10.568 1.00 0.00 H new ATOM 0 HA LYS A 33 1.972 -1.251 12.268 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.040 -1.531 10.169 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.496 -2.317 9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.386 -2.936 12.349 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.259 -3.726 10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.856 -4.769 10.422 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.707 -3.769 11.583 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.510 -5.948 12.555 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.417 -4.898 13.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.414 -7.025 12.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.432 -5.802 12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.627 -6.820 11.310 1.00 0.00 H new ATOM 541 N GLU A 34 3.585 0.088 9.803 1.00 0.00 N ATOM 542 CA GLU A 34 4.935 0.263 9.225 1.00 0.00 C ATOM 543 C GLU A 34 5.384 1.734 9.072 1.00 0.00 C ATOM 544 O GLU A 34 6.578 2.010 9.102 1.00 0.00 O ATOM 545 CB GLU A 34 4.966 -0.478 7.880 1.00 0.00 C ATOM 546 CG GLU A 34 6.317 -0.495 7.144 1.00 0.00 C ATOM 547 CD GLU A 34 7.390 -1.409 7.762 1.00 0.00 C ATOM 548 OE1 GLU A 34 7.144 -2.040 8.813 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.474 -1.541 7.143 1.00 0.00 O ATOM 0 H GLU A 34 2.908 0.772 9.465 1.00 0.00 H new ATOM 0 HA GLU A 34 5.657 -0.158 9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.656 -1.509 8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.224 -0.026 7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.147 -0.807 6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.706 0.523 7.109 1.00 0.00 H new ATOM 556 N GLY A 35 4.457 2.689 8.934 1.00 0.00 N ATOM 557 CA GLY A 35 4.785 4.121 8.863 1.00 0.00 C ATOM 558 C GLY A 35 5.072 4.653 7.453 1.00 0.00 C ATOM 559 O GLY A 35 6.039 5.387 7.269 1.00 0.00 O ATOM 0 H GLY A 35 3.458 2.493 8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.957 4.689 9.287 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.656 4.310 9.490 1.00 0.00 H new ATOM 563 N ILE A 36 4.250 4.299 6.455 1.00 0.00 N ATOM 564 CA ILE A 36 4.395 4.730 5.046 1.00 0.00 C ATOM 565 C ILE A 36 3.388 5.860 4.702 1.00 0.00 C ATOM 566 O ILE A 36 2.244 5.545 4.361 1.00 0.00 O ATOM 567 CB ILE A 36 4.225 3.507 4.103 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.057 2.264 4.507 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.507 3.878 2.636 1.00 0.00 C ATOM 570 CD1 ILE A 36 6.576 2.473 4.561 1.00 0.00 C ATOM 0 H ILE A 36 3.445 3.691 6.602 1.00 0.00 H new ATOM 0 HA ILE A 36 5.395 5.139 4.902 1.00 0.00 H new ATOM 0 HB ILE A 36 3.178 3.222 4.211 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.720 1.926 5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.843 1.461 3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.378 2.997 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.813 4.656 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.530 4.244 2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.061 1.542 4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.937 2.777 3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.811 3.249 5.290 1.00 0.00 H new ATOM 582 N PRO A 37 3.740 7.161 4.810 1.00 0.00 N ATOM 583 CA PRO A 37 2.808 8.280 4.608 1.00 0.00 C ATOM 584 C PRO A 37 2.649 8.730 3.135 1.00 0.00 C ATOM 585 O PRO A 37 3.593 8.612 2.342 1.00 0.00 O ATOM 586 CB PRO A 37 3.377 9.423 5.456 1.00 0.00 C ATOM 587 CG PRO A 37 4.883 9.196 5.345 1.00 0.00 C ATOM 588 CD PRO A 37 4.990 7.672 5.363 1.00 0.00 C ATOM 0 HA PRO A 37 1.803 7.974 4.898 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.084 10.400 5.070 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.034 9.372 6.489 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.291 9.621 4.428 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.424 9.651 6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.842 7.336 4.771 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.143 7.306 6.378 1.00 0.00 H new ATOM 596 N PRO A 38 1.502 9.354 2.777 1.00 0.00 N ATOM 597 CA PRO A 38 1.240 9.882 1.431 1.00 0.00 C ATOM 598 C PRO A 38 2.103 11.101 1.056 1.00 0.00 C ATOM 599 O PRO A 38 2.266 11.403 -0.124 1.00 0.00 O ATOM 600 CB PRO A 38 -0.249 10.250 1.425 1.00 0.00 C ATOM 601 CG PRO A 38 -0.530 10.606 2.883 1.00 0.00 C ATOM 602 CD PRO A 38 0.350 9.611 3.637 1.00 0.00 C ATOM 0 HA PRO A 38 1.499 9.131 0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.453 11.089 0.760 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.867 9.418 1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.262 11.638 3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.584 10.488 3.134 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.664 10.019 4.598 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.194 8.690 3.845 1.00 0.00 H new ATOM 610 N ASP A 39 2.683 11.801 2.042 1.00 0.00 N ATOM 611 CA ASP A 39 3.695 12.848 1.825 1.00 0.00 C ATOM 612 C ASP A 39 5.074 12.409 1.308 1.00 0.00 C ATOM 613 O ASP A 39 5.922 13.246 1.012 1.00 0.00 O ATOM 614 CB ASP A 39 3.697 13.925 2.933 1.00 0.00 C ATOM 615 CG ASP A 39 2.622 15.018 2.768 1.00 0.00 C ATOM 616 OD1 ASP A 39 2.291 15.400 1.613 1.00 0.00 O ATOM 617 OD2 ASP A 39 2.160 15.543 3.804 1.00 0.00 O ATOM 0 H ASP A 39 2.460 11.655 3.026 1.00 0.00 H new ATOM 0 HA ASP A 39 3.337 13.356 0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.554 13.436 3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.678 14.400 2.958 1.00 0.00 H new ATOM 622 N GLN A 40 5.280 11.101 1.129 1.00 0.00 N ATOM 623 CA GLN A 40 6.577 10.505 0.794 1.00 0.00 C ATOM 624 C GLN A 40 6.495 9.487 -0.362 1.00 0.00 C ATOM 625 O GLN A 40 7.297 9.538 -1.293 1.00 0.00 O ATOM 626 CB GLN A 40 7.138 9.923 2.090 1.00 0.00 C ATOM 627 CG GLN A 40 8.657 9.769 1.975 1.00 0.00 C ATOM 628 CD GLN A 40 9.196 8.516 2.627 1.00 0.00 C ATOM 629 OE1 GLN A 40 8.520 7.746 3.298 1.00 0.00 O ATOM 630 NE2 GLN A 40 10.452 8.253 2.401 1.00 0.00 N ATOM 0 H GLN A 40 4.533 10.412 1.215 1.00 0.00 H new ATOM 0 HA GLN A 40 7.257 11.262 0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.892 10.575 2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.680 8.955 2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 40 8.933 9.766 0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.136 10.637 2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.015 8.894 1.842 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.872 7.406 2.783 1.00 0.00 H new ATOM 639 N ASN A 41 5.510 8.583 -0.360 1.00 0.00 N ATOM 640 CA ASN A 41 5.421 7.463 -1.313 1.00 0.00 C ATOM 641 C ASN A 41 3.926 7.081 -1.552 1.00 0.00 C ATOM 642 O ASN A 41 3.065 7.528 -0.797 1.00 0.00 O ATOM 643 CB ASN A 41 6.316 6.289 -0.833 1.00 0.00 C ATOM 644 CG ASN A 41 7.161 6.466 0.414 1.00 0.00 C ATOM 645 OD1 ASN A 41 8.371 6.564 0.332 1.00 0.00 O ATOM 646 ND2 ASN A 41 6.584 6.476 1.590 1.00 0.00 N ATOM 0 H ASN A 41 4.741 8.605 0.310 1.00 0.00 H new ATOM 0 HA ASN A 41 5.810 7.755 -2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.668 5.427 -0.671 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.989 6.033 -1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.149 6.566 2.435 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.570 6.394 1.661 1.00 0.00 H new ATOM 653 N ARG A 42 3.572 6.297 -2.588 1.00 0.00 N ATOM 654 CA ARG A 42 2.187 6.001 -3.012 1.00 0.00 C ATOM 655 C ARG A 42 2.036 4.575 -3.561 1.00 0.00 C ATOM 656 O ARG A 42 2.892 4.087 -4.299 1.00 0.00 O ATOM 657 CB ARG A 42 1.683 7.070 -4.007 1.00 0.00 C ATOM 658 CG ARG A 42 2.339 7.064 -5.403 1.00 0.00 C ATOM 659 CD ARG A 42 1.834 8.259 -6.231 1.00 0.00 C ATOM 660 NE ARG A 42 2.234 8.176 -7.651 1.00 0.00 N ATOM 661 CZ ARG A 42 2.737 9.131 -8.417 1.00 0.00 C ATOM 662 NH1 ARG A 42 2.965 10.337 -7.990 1.00 0.00 N ATOM 663 NH2 ARG A 42 2.995 8.888 -9.670 1.00 0.00 N ATOM 0 H ARG A 42 4.266 5.835 -3.175 1.00 0.00 H new ATOM 0 HA ARG A 42 1.553 6.046 -2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.608 6.941 -4.133 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.836 8.053 -3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.423 7.113 -5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.108 6.131 -5.918 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.747 8.308 -6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.221 9.183 -5.802 1.00 0.00 H new ATOM 0 HE ARG A 42 2.106 7.268 -8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.755 10.584 -7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.354 11.037 -8.622 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.809 7.964 -10.059 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.383 9.622 -10.263 1.00 0.00 H new ATOM 677 N LEU A 43 0.952 3.897 -3.176 1.00 0.00 N ATOM 678 CA LEU A 43 0.717 2.471 -3.451 1.00 0.00 C ATOM 679 C LEU A 43 0.343 2.216 -4.919 1.00 0.00 C ATOM 680 O LEU A 43 -0.581 2.846 -5.442 1.00 0.00 O ATOM 681 CB LEU A 43 -0.417 1.941 -2.544 1.00 0.00 C ATOM 682 CG LEU A 43 -0.045 1.542 -1.105 1.00 0.00 C ATOM 683 CD1 LEU A 43 0.901 0.342 -1.075 1.00 0.00 C ATOM 684 CD2 LEU A 43 0.568 2.678 -0.286 1.00 0.00 C ATOM 0 H LEU A 43 0.193 4.332 -2.651 1.00 0.00 H new ATOM 0 HA LEU A 43 1.649 1.946 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.192 2.706 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.859 1.072 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.995 1.277 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.139 0.092 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.421 -0.512 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.819 0.589 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.803 2.319 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.481 3.024 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.142 3.502 -0.219 1.00 0.00 H new ATOM 696 N ILE A 44 1.012 1.240 -5.544 1.00 0.00 N ATOM 697 CA ILE A 44 0.651 0.720 -6.884 1.00 0.00 C ATOM 698 C ILE A 44 0.109 -0.725 -6.827 1.00 0.00 C ATOM 699 O ILE A 44 0.612 -1.554 -6.078 1.00 0.00 O ATOM 700 CB ILE A 44 1.865 0.820 -7.836 1.00 0.00 C ATOM 701 CG1 ILE A 44 2.491 2.227 -7.889 1.00 0.00 C ATOM 702 CG2 ILE A 44 1.526 0.365 -9.266 1.00 0.00 C ATOM 703 CD1 ILE A 44 1.573 3.362 -8.351 1.00 0.00 C ATOM 0 H ILE A 44 1.827 0.780 -5.138 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.157 1.340 -7.272 1.00 0.00 H new ATOM 0 HB ILE A 44 2.602 0.140 -7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.865 2.473 -6.895 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.354 2.193 -8.554 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.411 0.454 -9.896 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.196 -0.674 -9.249 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.730 0.992 -9.668 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.126 4.302 -8.347 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.218 3.155 -9.360 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.721 3.439 -7.675 1.00 0.00 H new ATOM 715 N PHE A 45 -0.856 -1.077 -7.680 1.00 0.00 N ATOM 716 CA PHE A 45 -1.246 -2.470 -7.950 1.00 0.00 C ATOM 717 C PHE A 45 -1.587 -2.747 -9.421 1.00 0.00 C ATOM 718 O PHE A 45 -2.297 -1.954 -10.032 1.00 0.00 O ATOM 719 CB PHE A 45 -2.281 -2.963 -6.926 1.00 0.00 C ATOM 720 CG PHE A 45 -2.947 -4.295 -7.218 1.00 0.00 C ATOM 721 CD1 PHE A 45 -4.112 -4.353 -8.009 1.00 0.00 C ATOM 722 CD2 PHE A 45 -2.435 -5.475 -6.643 1.00 0.00 C ATOM 723 CE1 PHE A 45 -4.770 -5.581 -8.206 1.00 0.00 C ATOM 724 CE2 PHE A 45 -3.098 -6.702 -6.838 1.00 0.00 C ATOM 725 CZ PHE A 45 -4.270 -6.754 -7.611 1.00 0.00 C ATOM 0 H PHE A 45 -1.398 -0.396 -8.212 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.364 -3.093 -7.798 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.792 -3.033 -5.954 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.060 -2.205 -6.837 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.500 -3.454 -8.464 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.532 -5.438 -6.051 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.661 -5.623 -8.815 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.705 -7.604 -6.393 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.786 -7.693 -7.748 1.00 0.00 H new ATOM 735 N ALA A 46 -1.028 -3.807 -10.022 1.00 0.00 N ATOM 736 CA ALA A 46 -1.095 -4.070 -11.471 1.00 0.00 C ATOM 737 C ALA A 46 -0.715 -2.836 -12.336 1.00 0.00 C ATOM 738 O ALA A 46 -1.403 -2.483 -13.289 1.00 0.00 O ATOM 739 CB ALA A 46 -2.466 -4.678 -11.812 1.00 0.00 C ATOM 0 H ALA A 46 -0.508 -4.519 -9.509 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.331 -4.803 -11.731 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.521 -4.874 -12.883 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.596 -5.612 -11.265 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.254 -3.979 -11.531 1.00 0.00 H new ATOM 745 N GLY A 47 0.330 -2.096 -11.930 1.00 0.00 N ATOM 746 CA GLY A 47 0.757 -0.823 -12.543 1.00 0.00 C ATOM 747 C GLY A 47 -0.160 0.389 -12.281 1.00 0.00 C ATOM 748 O GLY A 47 0.258 1.534 -12.458 1.00 0.00 O ATOM 0 H GLY A 47 0.919 -2.373 -11.144 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.756 -0.584 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.836 -0.969 -13.620 1.00 0.00 H new ATOM 752 N LYS A 48 -1.392 0.146 -11.821 1.00 0.00 N ATOM 753 CA LYS A 48 -2.483 1.106 -11.601 1.00 0.00 C ATOM 754 C LYS A 48 -2.383 1.746 -10.203 1.00 0.00 C ATOM 755 O LYS A 48 -1.960 1.112 -9.237 1.00 0.00 O ATOM 756 CB LYS A 48 -3.797 0.314 -11.808 1.00 0.00 C ATOM 757 CG LYS A 48 -4.897 1.012 -12.626 1.00 0.00 C ATOM 758 CD LYS A 48 -5.811 1.914 -11.784 1.00 0.00 C ATOM 759 CE LYS A 48 -7.103 2.303 -12.524 1.00 0.00 C ATOM 760 NZ LYS A 48 -7.991 1.140 -12.789 1.00 0.00 N ATOM 0 H LYS A 48 -1.676 -0.802 -11.573 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.437 1.943 -12.298 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.554 -0.629 -12.298 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.205 0.068 -10.828 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.431 1.611 -13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.505 0.255 -13.122 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.068 1.401 -10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.269 2.818 -11.508 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.646 3.041 -11.933 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.845 2.779 -13.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.938 1.479 -13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.598 0.574 -13.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.058 0.553 -11.933 1.00 0.00 H new ATOM 774 N GLN A 49 -2.782 3.015 -10.090 1.00 0.00 N ATOM 775 CA GLN A 49 -2.832 3.754 -8.814 1.00 0.00 C ATOM 776 C GLN A 49 -4.149 3.505 -8.050 1.00 0.00 C ATOM 777 O GLN A 49 -5.192 3.270 -8.668 1.00 0.00 O ATOM 778 CB GLN A 49 -2.579 5.254 -9.075 1.00 0.00 C ATOM 779 CG GLN A 49 -1.138 5.481 -9.574 1.00 0.00 C ATOM 780 CD GLN A 49 -0.717 6.931 -9.799 1.00 0.00 C ATOM 781 OE1 GLN A 49 0.466 7.244 -9.761 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.610 7.841 -10.127 1.00 0.00 N ATOM 0 H GLN A 49 -3.085 3.571 -10.890 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.041 3.380 -8.164 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.289 5.625 -9.815 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.747 5.822 -8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.453 5.034 -8.853 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.012 4.939 -10.512 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.599 7.595 -10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.313 8.792 -10.345 1.00 0.00 H new ATOM 791 N LEU A 50 -4.101 3.565 -6.711 1.00 0.00 N ATOM 792 CA LEU A 50 -5.211 3.200 -5.814 1.00 0.00 C ATOM 793 C LEU A 50 -5.789 4.425 -5.079 1.00 0.00 C ATOM 794 O LEU A 50 -5.220 4.941 -4.112 1.00 0.00 O ATOM 795 CB LEU A 50 -4.742 2.113 -4.833 1.00 0.00 C ATOM 796 CG LEU A 50 -4.219 0.823 -5.487 1.00 0.00 C ATOM 797 CD1 LEU A 50 -3.875 -0.175 -4.387 1.00 0.00 C ATOM 798 CD2 LEU A 50 -5.243 0.171 -6.413 1.00 0.00 C ATOM 0 H LEU A 50 -3.270 3.876 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.026 2.800 -6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.954 2.528 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.572 1.857 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.349 1.092 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.502 -1.096 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.109 0.249 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.768 -0.392 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.818 -0.735 -6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.137 -0.084 -5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.506 0.865 -7.211 1.00 0.00 H new ATOM 810 N GLU A 51 -6.937 4.888 -5.563 1.00 0.00 N ATOM 811 CA GLU A 51 -7.584 6.136 -5.179 1.00 0.00 C ATOM 812 C GLU A 51 -8.668 5.915 -4.113 1.00 0.00 C ATOM 813 O GLU A 51 -9.428 4.945 -4.142 1.00 0.00 O ATOM 814 CB GLU A 51 -8.089 6.819 -6.456 1.00 0.00 C ATOM 815 CG GLU A 51 -8.438 8.303 -6.258 1.00 0.00 C ATOM 816 CD GLU A 51 -8.608 9.003 -7.611 1.00 0.00 C ATOM 817 OE1 GLU A 51 -7.595 9.162 -8.328 1.00 0.00 O ATOM 818 OE2 GLU A 51 -9.741 9.393 -7.983 1.00 0.00 O ATOM 0 H GLU A 51 -7.467 4.377 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.872 6.804 -4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.327 6.733 -7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.972 6.291 -6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.357 8.392 -5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.651 8.794 -5.685 1.00 0.00 H new ATOM 825 N ASP A 52 -8.691 6.808 -3.129 1.00 0.00 N ATOM 826 CA ASP A 52 -9.633 6.831 -2.013 1.00 0.00 C ATOM 827 C ASP A 52 -11.109 6.992 -2.420 1.00 0.00 C ATOM 828 O ASP A 52 -11.487 7.934 -3.109 1.00 0.00 O ATOM 829 CB ASP A 52 -9.176 7.799 -0.889 1.00 0.00 C ATOM 830 CG ASP A 52 -8.185 8.907 -1.311 1.00 0.00 C ATOM 831 OD1 ASP A 52 -7.080 8.579 -1.805 1.00 0.00 O ATOM 832 OD2 ASP A 52 -8.471 10.103 -1.100 1.00 0.00 O ATOM 0 H ASP A 52 -8.020 7.575 -3.085 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.606 5.829 -1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.060 8.273 -0.463 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.716 7.211 -0.095 1.00 0.00 H new ATOM 837 N GLY A 53 -11.953 6.047 -1.980 1.00 0.00 N ATOM 838 CA GLY A 53 -13.398 6.011 -2.253 1.00 0.00 C ATOM 839 C GLY A 53 -13.928 4.638 -2.687 1.00 0.00 C ATOM 840 O GLY A 53 -15.076 4.312 -2.392 1.00 0.00 O ATOM 0 H GLY A 53 -11.640 5.263 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.932 6.326 -1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.626 6.738 -3.033 1.00 0.00 H new ATOM 844 N ARG A 54 -13.101 3.803 -3.337 1.00 0.00 N ATOM 845 CA ARG A 54 -13.436 2.393 -3.659 1.00 0.00 C ATOM 846 C ARG A 54 -13.142 1.442 -2.483 1.00 0.00 C ATOM 847 O ARG A 54 -12.578 1.861 -1.471 1.00 0.00 O ATOM 848 CB ARG A 54 -12.671 1.939 -4.920 1.00 0.00 C ATOM 849 CG ARG A 54 -12.881 2.813 -6.172 1.00 0.00 C ATOM 850 CD ARG A 54 -12.565 1.970 -7.413 1.00 0.00 C ATOM 851 NE ARG A 54 -12.582 2.737 -8.675 1.00 0.00 N ATOM 852 CZ ARG A 54 -12.696 2.200 -9.878 1.00 0.00 C ATOM 853 NH1 ARG A 54 -12.936 0.936 -10.073 1.00 0.00 N ATOM 854 NH2 ARG A 54 -12.580 2.939 -10.936 1.00 0.00 N ATOM 0 H ARG A 54 -12.174 4.082 -3.659 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.508 2.348 -3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.606 1.915 -4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.969 0.918 -5.157 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.908 3.176 -6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.234 3.690 -6.135 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.583 1.513 -7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.288 1.158 -7.483 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.500 3.752 -8.614 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.046 0.309 -9.276 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.015 0.572 -11.023 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.400 3.939 -10.843 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.669 2.521 -11.862 1.00 0.00 H new ATOM 868 N THR A 55 -13.451 0.151 -2.647 1.00 0.00 N ATOM 869 CA THR A 55 -12.915 -0.965 -1.838 1.00 0.00 C ATOM 870 C THR A 55 -11.832 -1.785 -2.533 1.00 0.00 C ATOM 871 O THR A 55 -11.690 -1.715 -3.758 1.00 0.00 O ATOM 872 CB THR A 55 -13.992 -1.849 -1.172 1.00 0.00 C ATOM 873 OG1 THR A 55 -14.353 -2.907 -2.031 1.00 0.00 O ATOM 874 CG2 THR A 55 -15.278 -1.121 -0.785 1.00 0.00 C ATOM 0 H THR A 55 -14.101 -0.163 -3.368 1.00 0.00 H new ATOM 0 HA THR A 55 -12.412 -0.454 -1.017 1.00 0.00 H new ATOM 0 HB THR A 55 -13.524 -2.198 -0.252 1.00 0.00 H new ATOM 0 HG1 THR A 55 -15.035 -3.462 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.971 -1.826 -0.325 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.047 -0.325 -0.077 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.735 -0.692 -1.676 1.00 0.00 H new ATOM 882 N LEU A 56 -11.076 -2.579 -1.763 1.00 0.00 N ATOM 883 CA LEU A 56 -10.070 -3.525 -2.275 1.00 0.00 C ATOM 884 C LEU A 56 -10.617 -4.411 -3.406 1.00 0.00 C ATOM 885 O LEU A 56 -10.020 -4.507 -4.479 1.00 0.00 O ATOM 886 CB LEU A 56 -9.653 -4.454 -1.124 1.00 0.00 C ATOM 887 CG LEU A 56 -8.732 -3.833 -0.060 1.00 0.00 C ATOM 888 CD1 LEU A 56 -8.555 -4.818 1.093 1.00 0.00 C ATOM 889 CD2 LEU A 56 -7.349 -3.525 -0.640 1.00 0.00 C ATOM 0 H LEU A 56 -11.147 -2.583 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.237 -2.941 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.555 -4.816 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.151 -5.324 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.192 -2.907 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.903 -4.380 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.526 -5.038 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.109 -5.740 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.719 -3.087 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.892 -4.447 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.450 -2.822 -1.467 1.00 0.00 H new ATOM 901 N SER A 57 -11.776 -5.034 -3.177 1.00 0.00 N ATOM 902 CA SER A 57 -12.362 -5.995 -4.110 1.00 0.00 C ATOM 903 C SER A 57 -12.764 -5.368 -5.450 1.00 0.00 C ATOM 904 O SER A 57 -12.797 -6.096 -6.440 1.00 0.00 O ATOM 905 CB SER A 57 -13.579 -6.667 -3.470 1.00 0.00 C ATOM 906 OG SER A 57 -14.030 -7.737 -4.276 1.00 0.00 O ATOM 0 H SER A 57 -12.334 -4.885 -2.337 1.00 0.00 H new ATOM 0 HA SER A 57 -11.589 -6.733 -4.325 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.319 -7.035 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.379 -5.938 -3.341 1.00 0.00 H new ATOM 0 HG SER A 57 -14.808 -8.159 -3.854 1.00 0.00 H new ATOM 912 N ASP A 58 -13.047 -4.059 -5.522 1.00 0.00 N ATOM 913 CA ASP A 58 -13.393 -3.429 -6.817 1.00 0.00 C ATOM 914 C ASP A 58 -12.140 -3.050 -7.622 1.00 0.00 C ATOM 915 O ASP A 58 -12.156 -3.062 -8.851 1.00 0.00 O ATOM 916 CB ASP A 58 -14.275 -2.185 -6.654 1.00 0.00 C ATOM 917 CG ASP A 58 -14.795 -1.752 -8.037 1.00 0.00 C ATOM 918 OD1 ASP A 58 -15.426 -2.580 -8.734 1.00 0.00 O ATOM 919 OD2 ASP A 58 -14.564 -0.589 -8.438 1.00 0.00 O ATOM 0 H ASP A 58 -13.046 -3.424 -4.724 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.959 -4.184 -7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.111 -2.401 -5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.704 -1.377 -6.197 1.00 0.00 H new ATOM 924 N TYR A 59 -11.014 -2.793 -6.946 1.00 0.00 N ATOM 925 CA TYR A 59 -9.690 -2.849 -7.571 1.00 0.00 C ATOM 926 C TYR A 59 -9.196 -4.245 -8.005 1.00 0.00 C ATOM 927 O TYR A 59 -8.074 -4.387 -8.488 1.00 0.00 O ATOM 928 CB TYR A 59 -8.667 -2.005 -6.789 1.00 0.00 C ATOM 929 CG TYR A 59 -8.702 -0.513 -7.076 1.00 0.00 C ATOM 930 CD1 TYR A 59 -8.107 -0.032 -8.254 1.00 0.00 C ATOM 931 CD2 TYR A 59 -9.242 0.393 -6.133 1.00 0.00 C ATOM 932 CE1 TYR A 59 -8.030 1.359 -8.489 1.00 0.00 C ATOM 933 CE2 TYR A 59 -9.148 1.780 -6.362 1.00 0.00 C ATOM 934 CZ TYR A 59 -8.542 2.260 -7.543 1.00 0.00 C ATOM 935 OH TYR A 59 -8.417 3.594 -7.756 1.00 0.00 O ATOM 0 H TYR A 59 -10.996 -2.542 -5.957 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.811 -2.375 -8.545 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.834 -2.157 -5.723 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.667 -2.378 -7.011 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.708 -0.725 -8.980 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.725 0.023 -5.241 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.577 1.729 -9.397 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.539 2.476 -5.634 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.154 4.066 -7.315 1.00 0.00 H new ATOM 945 N ASN A 60 -10.039 -5.272 -7.823 1.00 0.00 N ATOM 946 CA ASN A 60 -9.739 -6.695 -8.008 1.00 0.00 C ATOM 947 C ASN A 60 -8.504 -7.140 -7.191 1.00 0.00 C ATOM 948 O ASN A 60 -7.688 -7.922 -7.675 1.00 0.00 O ATOM 949 CB ASN A 60 -9.698 -7.034 -9.511 1.00 0.00 C ATOM 950 CG ASN A 60 -9.752 -8.530 -9.769 1.00 0.00 C ATOM 951 OD1 ASN A 60 -10.776 -9.183 -9.616 1.00 0.00 O ATOM 952 ND2 ASN A 60 -8.669 -9.133 -10.198 1.00 0.00 N ATOM 0 H ASN A 60 -11.003 -5.120 -7.526 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.546 -7.297 -7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.537 -6.551 -10.013 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.787 -6.625 -9.948 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.688 -10.133 -10.399 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.808 -8.602 -10.330 1.00 0.00 H new ATOM 959 N ILE A 61 -8.366 -6.627 -5.964 1.00 0.00 N ATOM 960 CA ILE A 61 -7.323 -7.008 -5.002 1.00 0.00 C ATOM 961 C ILE A 61 -7.858 -8.157 -4.133 1.00 0.00 C ATOM 962 O ILE A 61 -8.761 -7.954 -3.322 1.00 0.00 O ATOM 963 CB ILE A 61 -6.873 -5.784 -4.160 1.00 0.00 C ATOM 964 CG1 ILE A 61 -6.601 -4.542 -5.046 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.633 -6.157 -3.329 1.00 0.00 C ATOM 966 CD1 ILE A 61 -6.127 -3.285 -4.308 1.00 0.00 C ATOM 0 H ILE A 61 -8.996 -5.912 -5.600 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.433 -7.356 -5.527 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.686 -5.514 -3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.850 -4.808 -5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.515 -4.299 -5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.318 -5.297 -2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.877 -6.985 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.824 -6.455 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.968 -2.480 -5.026 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.883 -2.982 -3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.192 -3.498 -3.789 1.00 0.00 H new ATOM 978 N GLN A 62 -7.327 -9.367 -4.324 1.00 0.00 N ATOM 979 CA GLN A 62 -7.750 -10.606 -3.647 1.00 0.00 C ATOM 980 C GLN A 62 -6.780 -11.028 -2.522 1.00 0.00 C ATOM 981 O GLN A 62 -5.749 -10.383 -2.299 1.00 0.00 O ATOM 982 CB GLN A 62 -8.009 -11.724 -4.688 1.00 0.00 C ATOM 983 CG GLN A 62 -6.851 -12.096 -5.634 1.00 0.00 C ATOM 984 CD GLN A 62 -6.580 -11.027 -6.684 1.00 0.00 C ATOM 985 OE1 GLN A 62 -5.631 -10.271 -6.590 1.00 0.00 O ATOM 986 NE2 GLN A 62 -7.507 -10.742 -7.566 1.00 0.00 N ATOM 0 H GLN A 62 -6.561 -9.522 -4.979 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.694 -10.411 -3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.305 -12.624 -4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.860 -11.424 -5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.947 -12.260 -5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.083 -13.037 -6.132 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.316 -11.354 -7.671 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.419 -9.908 -8.147 1.00 0.00 H new ATOM 995 N LYS A 63 -7.094 -12.110 -1.790 1.00 0.00 N ATOM 996 CA LYS A 63 -6.254 -12.623 -0.684 1.00 0.00 C ATOM 997 C LYS A 63 -4.789 -12.852 -1.116 1.00 0.00 C ATOM 998 O LYS A 63 -4.514 -13.244 -2.252 1.00 0.00 O ATOM 999 CB LYS A 63 -6.901 -13.885 -0.066 1.00 0.00 C ATOM 1000 CG LYS A 63 -6.801 -15.151 -0.954 1.00 0.00 C ATOM 1001 CD LYS A 63 -7.161 -16.434 -0.182 1.00 0.00 C ATOM 1002 CE LYS A 63 -6.499 -17.692 -0.772 1.00 0.00 C ATOM 1003 NZ LYS A 63 -7.093 -18.164 -2.048 1.00 0.00 N ATOM 0 H LYS A 63 -7.940 -12.658 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.208 -11.859 0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.426 -14.090 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.952 -13.679 0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.467 -15.045 -1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.788 -15.238 -1.347 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.857 -16.323 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.243 -16.563 -0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.441 -17.488 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.560 -18.496 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.588 -19.013 -2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.096 -18.394 -1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.011 -17.416 -2.766 1.00 0.00 H new ATOM 1017 N GLU A 64 -3.856 -12.551 -0.207 1.00 0.00 N ATOM 1018 CA GLU A 64 -2.404 -12.612 -0.432 1.00 0.00 C ATOM 1019 C GLU A 64 -1.857 -11.727 -1.582 1.00 0.00 C ATOM 1020 O GLU A 64 -0.731 -11.918 -2.047 1.00 0.00 O ATOM 1021 CB GLU A 64 -1.898 -14.069 -0.432 1.00 0.00 C ATOM 1022 CG GLU A 64 -2.082 -14.782 0.926 1.00 0.00 C ATOM 1023 CD GLU A 64 -3.334 -15.675 1.062 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -3.893 -16.139 0.045 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -3.709 -15.937 2.231 1.00 0.00 O ATOM 0 H GLU A 64 -4.096 -12.248 0.737 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.954 -12.124 0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.427 -14.630 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.841 -14.079 -0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.201 -15.396 1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.114 -14.025 1.709 1.00 0.00 H new ATOM 1032 N SER A 65 -2.610 -10.706 -2.016 1.00 0.00 N ATOM 1033 CA SER A 65 -2.147 -9.717 -3.006 1.00 0.00 C ATOM 1034 C SER A 65 -0.847 -9.022 -2.607 1.00 0.00 C ATOM 1035 O SER A 65 -0.740 -8.491 -1.501 1.00 0.00 O ATOM 1036 CB SER A 65 -3.184 -8.619 -3.237 1.00 0.00 C ATOM 1037 OG SER A 65 -4.227 -9.107 -4.037 1.00 0.00 O ATOM 0 H SER A 65 -3.562 -10.540 -1.690 1.00 0.00 H new ATOM 0 HA SER A 65 -1.983 -10.300 -3.912 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.578 -8.273 -2.282 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.716 -7.760 -3.719 1.00 0.00 H new ATOM 0 HG SER A 65 -4.970 -9.393 -3.466 1.00 0.00 H new ATOM 1043 N THR A 66 0.110 -8.946 -3.536 1.00 0.00 N ATOM 1044 CA THR A 66 1.341 -8.151 -3.393 1.00 0.00 C ATOM 1045 C THR A 66 1.273 -6.831 -4.149 1.00 0.00 C ATOM 1046 O THR A 66 1.600 -6.735 -5.333 1.00 0.00 O ATOM 1047 CB THR A 66 2.601 -8.962 -3.734 1.00 0.00 C ATOM 1048 OG1 THR A 66 2.582 -10.181 -3.025 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.896 -8.238 -3.358 1.00 0.00 C ATOM 0 H THR A 66 0.054 -9.442 -4.425 1.00 0.00 H new ATOM 0 HA THR A 66 1.420 -7.891 -2.337 1.00 0.00 H new ATOM 0 HB THR A 66 2.587 -9.114 -4.813 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.385 -10.699 -3.244 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.751 -8.860 -3.623 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.954 -7.293 -3.898 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.907 -8.045 -2.285 1.00 0.00 H new ATOM 1057 N LEU A 67 0.856 -5.787 -3.439 1.00 0.00 N ATOM 1058 CA LEU A 67 0.932 -4.415 -3.913 1.00 0.00 C ATOM 1059 C LEU A 67 2.399 -4.011 -4.099 1.00 0.00 C ATOM 1060 O LEU A 67 3.277 -4.422 -3.343 1.00 0.00 O ATOM 1061 CB LEU A 67 0.224 -3.467 -2.932 1.00 0.00 C ATOM 1062 CG LEU A 67 -1.293 -3.718 -2.821 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -1.677 -4.693 -1.707 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -1.999 -2.395 -2.525 1.00 0.00 C ATOM 0 H LEU A 67 0.451 -5.875 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 67 0.425 -4.342 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.675 -3.575 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.392 -2.438 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.596 -4.155 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.760 -4.819 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.202 -5.657 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.343 -4.298 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.073 -2.565 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.626 -1.986 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.803 -1.689 -3.332 1.00 0.00 H new ATOM 1076 N HIS A 68 2.664 -3.181 -5.090 1.00 0.00 N ATOM 1077 CA HIS A 68 3.923 -2.473 -5.235 1.00 0.00 C ATOM 1078 C HIS A 68 3.801 -1.123 -4.604 1.00 0.00 C ATOM 1079 O HIS A 68 2.731 -0.604 -4.280 1.00 0.00 O ATOM 1080 CB HIS A 68 4.344 -2.387 -6.703 1.00 0.00 C ATOM 1081 CG HIS A 68 4.651 -3.717 -7.357 1.00 0.00 C ATOM 1082 ND1 HIS A 68 3.964 -4.904 -7.213 1.00 0.00 N ATOM 1083 CD2 HIS A 68 5.605 -3.922 -8.319 1.00 0.00 C ATOM 1084 CE1 HIS A 68 4.520 -5.816 -8.025 1.00 0.00 C ATOM 1085 NE2 HIS A 68 5.509 -5.251 -8.742 1.00 0.00 N ATOM 0 H HIS A 68 1.996 -2.975 -5.833 1.00 0.00 H new ATOM 0 HA HIS A 68 4.711 -3.025 -4.723 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.549 -1.897 -7.266 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.226 -1.750 -6.776 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.307 -3.187 -8.685 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.218 -6.851 -8.093 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.079 -5.705 -9.456 1.00 0.00 H new ATOM 1093 N LEU A 69 4.968 -0.558 -4.431 1.00 0.00 N ATOM 1094 CA LEU A 69 5.077 0.799 -4.064 1.00 0.00 C ATOM 1095 C LEU A 69 5.769 1.642 -5.123 1.00 0.00 C ATOM 1096 O LEU A 69 6.652 1.161 -5.832 1.00 0.00 O ATOM 1097 CB LEU A 69 5.840 0.926 -2.760 1.00 0.00 C ATOM 1098 CG LEU A 69 5.946 2.250 -1.999 1.00 0.00 C ATOM 1099 CD1 LEU A 69 4.557 2.711 -1.585 1.00 0.00 C ATOM 1100 CD2 LEU A 69 6.811 2.074 -0.748 1.00 0.00 C ATOM 0 H LEU A 69 5.860 -1.040 -4.545 1.00 0.00 H new ATOM 0 HA LEU A 69 4.059 1.173 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.403 0.203 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.860 0.599 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 69 6.405 2.994 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.633 3.654 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.941 2.851 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.101 1.959 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.878 3.023 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.361 1.324 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.810 1.750 -1.039 1.00 0.00 H new ATOM 1112 N VAL A 70 5.498 2.944 -5.079 1.00 0.00 N ATOM 1113 CA VAL A 70 6.527 3.945 -5.364 1.00 0.00 C ATOM 1114 C VAL A 70 6.702 5.003 -4.321 1.00 0.00 C ATOM 1115 O VAL A 70 5.838 5.217 -3.493 1.00 0.00 O ATOM 1116 CB VAL A 70 6.363 4.715 -6.711 1.00 0.00 C ATOM 1117 CG1 VAL A 70 7.686 5.287 -7.283 1.00 0.00 C ATOM 1118 CG2 VAL A 70 5.720 3.839 -7.798 1.00 0.00 C ATOM 0 H VAL A 70 4.582 3.330 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 70 7.399 3.293 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 70 5.713 5.551 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.483 5.807 -8.219 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.120 5.985 -6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.386 4.472 -7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.624 4.414 -8.719 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.346 2.965 -7.979 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.733 3.516 -7.468 1.00 0.00 H new ATOM 1128 N LEU A 71 7.764 5.770 -4.480 1.00 0.00 N ATOM 1129 CA LEU A 71 7.789 7.186 -4.190 1.00 0.00 C ATOM 1130 C LEU A 71 6.670 8.078 -4.722 1.00 0.00 C ATOM 1131 O LEU A 71 5.945 7.765 -5.659 1.00 0.00 O ATOM 1132 CB LEU A 71 9.094 7.795 -4.704 1.00 0.00 C ATOM 1133 CG LEU A 71 10.084 8.555 -3.788 1.00 0.00 C ATOM 1134 CD1 LEU A 71 9.800 10.050 -3.663 1.00 0.00 C ATOM 1135 CD2 LEU A 71 10.257 7.947 -2.399 1.00 0.00 C ATOM 0 H LEU A 71 8.656 5.413 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 71 7.663 7.182 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.657 6.981 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.821 8.483 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 71 11.028 8.436 -4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.539 10.507 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.855 10.514 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.803 10.197 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.967 8.544 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.296 7.935 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.631 6.928 -2.492 1.00 0.00 H new