USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 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 Single : A 1 MET CE :methyl 153:sc= -0.332 (180deg=-1.53!) USER MOD Single : A 1 MET N :NH3+ 155:sc= -6.64! (180deg=-7.69!) USER MOD Single : A 2 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.35) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -84:sc= -0.0879 USER MOD Single : A 9 THR OG1 : rot -44:sc= 0.0807 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -119:sc= 0.289 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.909 USER MOD Single : A 25 ASN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0163 K(o=-0.016,f=-0.81) USER MOD Single : A 41 GLN : amide:sc= -8.7! C(o=-8.7!,f=-12!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.492 K(o=-0.49,f=-2.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= -3.56 USER MOD Single : A 60 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.37) USER MOD Single : A 62 GLN : amide:sc= -0.0452 K(o=-0.045,f=-2.7) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 38:sc= -0.189 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.373 -5.618 4.241 1.00 0.00 N ATOM 2 CA MET A 1 -12.474 -4.975 5.540 1.00 0.00 C ATOM 3 C MET A 1 -11.673 -3.672 5.570 1.00 0.00 C ATOM 4 O MET A 1 -11.194 -3.209 4.537 1.00 0.00 O ATOM 5 CB MET A 1 -11.950 -5.921 6.621 1.00 0.00 C ATOM 6 CG MET A 1 -10.433 -6.090 6.514 1.00 0.00 C ATOM 7 SD MET A 1 -9.859 -7.251 7.743 1.00 0.00 S ATOM 8 CE MET A 1 -10.766 -8.705 7.243 1.00 0.00 C ATOM 0 H1 MET A 1 -12.537 -6.640 4.346 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.086 -5.217 3.599 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.424 -5.458 3.847 1.00 0.00 H new ATOM 0 HA MET A 1 -13.522 -4.740 5.728 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.207 -5.531 7.606 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.435 -6.892 6.526 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.168 -6.442 5.517 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.941 -5.127 6.653 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.218 -9.597 7.546 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.747 -8.703 7.718 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.887 -8.704 6.160 1.00 0.00 H new ATOM 18 N GLN A 2 -11.554 -3.116 6.767 1.00 0.00 N ATOM 19 CA GLN A 2 -10.819 -1.875 6.945 1.00 0.00 C ATOM 20 C GLN A 2 -9.362 -2.168 7.312 1.00 0.00 C ATOM 21 O GLN A 2 -9.070 -3.176 7.953 1.00 0.00 O ATOM 22 CB GLN A 2 -11.483 -0.992 8.005 1.00 0.00 C ATOM 23 CG GLN A 2 -10.669 0.280 8.247 1.00 0.00 C ATOM 24 CD GLN A 2 -11.242 1.084 9.416 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.060 0.755 10.577 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.942 2.152 9.047 1.00 0.00 N ATOM 0 H GLN A 2 -11.954 -3.502 7.622 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.833 -1.329 6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.491 -0.728 7.684 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.581 -1.548 8.937 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.632 0.018 8.455 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.668 0.893 7.345 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.056 2.370 8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.365 2.753 9.754 1.00 0.00 H new ATOM 35 N ILE A 3 -8.486 -1.269 6.886 1.00 0.00 N ATOM 36 CA ILE A 3 -7.067 -1.419 7.160 1.00 0.00 C ATOM 37 C ILE A 3 -6.456 -0.041 7.426 1.00 0.00 C ATOM 38 O ILE A 3 -7.086 0.982 7.166 1.00 0.00 O ATOM 39 CB ILE A 3 -6.382 -2.189 6.030 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.488 -1.429 4.706 1.00 0.00 C ATOM 41 CG2 ILE A 3 -6.935 -3.611 5.922 1.00 0.00 C ATOM 42 CD1 ILE A 3 -7.801 -1.754 3.992 1.00 0.00 C ATOM 0 H ILE A 3 -8.732 -0.435 6.353 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.912 -2.016 8.059 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.322 -2.274 6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.427 -0.357 4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.646 -1.690 4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.431 -4.137 5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.764 -4.140 6.859 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.005 -3.571 5.719 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.852 -1.201 3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.848 -2.823 3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.640 -1.469 4.627 1.00 0.00 H new ATOM 54 N PHE A 4 -5.235 -0.061 7.940 1.00 0.00 N ATOM 55 CA PHE A 4 -4.531 1.173 8.244 1.00 0.00 C ATOM 56 C PHE A 4 -3.240 1.283 7.430 1.00 0.00 C ATOM 57 O PHE A 4 -2.227 0.681 7.783 1.00 0.00 O ATOM 58 CB PHE A 4 -4.180 1.133 9.733 1.00 0.00 C ATOM 59 CG PHE A 4 -5.329 1.545 10.654 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.536 0.924 10.556 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.146 2.532 11.572 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.603 1.306 11.411 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.213 2.914 12.428 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.419 2.293 12.329 1.00 0.00 C ATOM 0 H PHE A 4 -4.715 -0.912 8.154 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.158 2.030 7.997 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.863 0.123 9.994 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.330 1.791 9.913 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.682 0.140 9.827 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.189 3.026 11.650 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.561 0.813 11.333 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.067 3.697 13.157 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.231 2.584 12.979 1.00 0.00 H new ATOM 74 N VAL A 5 -3.319 2.054 6.356 1.00 0.00 N ATOM 75 CA VAL A 5 -2.168 2.251 5.490 1.00 0.00 C ATOM 76 C VAL A 5 -1.291 3.369 6.058 1.00 0.00 C ATOM 77 O VAL A 5 -1.802 4.339 6.616 1.00 0.00 O ATOM 78 CB VAL A 5 -2.633 2.524 4.058 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.858 4.020 3.830 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.639 1.958 3.042 1.00 0.00 C ATOM 0 H VAL A 5 -4.162 2.550 6.065 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.558 1.348 5.454 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.587 2.016 3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.188 4.186 2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.620 4.383 4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.926 4.559 4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.993 2.165 2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.665 2.424 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.550 0.881 3.181 1.00 0.00 H new ATOM 90 N LYS A 6 0.012 3.196 5.895 1.00 0.00 N ATOM 91 CA LYS A 6 0.964 4.179 6.384 1.00 0.00 C ATOM 92 C LYS A 6 1.549 4.950 5.200 1.00 0.00 C ATOM 93 O LYS A 6 1.734 4.389 4.120 1.00 0.00 O ATOM 94 CB LYS A 6 2.021 3.508 7.263 1.00 0.00 C ATOM 95 CG LYS A 6 1.903 3.975 8.716 1.00 0.00 C ATOM 96 CD LYS A 6 1.116 2.966 9.554 1.00 0.00 C ATOM 97 CE LYS A 6 2.043 1.903 10.146 1.00 0.00 C ATOM 98 NZ LYS A 6 2.179 2.090 11.608 1.00 0.00 N ATOM 0 H LYS A 6 0.431 2.390 5.431 1.00 0.00 H new ATOM 0 HA LYS A 6 0.465 4.907 7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.905 2.425 7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.016 3.739 6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.898 4.108 9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.409 4.946 8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.592 3.485 10.357 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.357 2.488 8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.648 0.909 9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.023 1.963 9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.812 1.360 11.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.577 3.031 11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.244 2.010 12.057 1.00 0.00 H new ATOM 112 N THR A 7 1.821 6.224 5.440 1.00 0.00 N ATOM 113 CA THR A 7 2.381 7.078 4.407 1.00 0.00 C ATOM 114 C THR A 7 3.877 7.292 4.644 1.00 0.00 C ATOM 115 O THR A 7 4.372 7.068 5.748 1.00 0.00 O ATOM 116 CB THR A 7 1.577 8.380 4.383 1.00 0.00 C ATOM 117 OG1 THR A 7 1.337 8.665 5.758 1.00 0.00 O ATOM 118 CG2 THR A 7 0.178 8.192 3.791 1.00 0.00 C ATOM 0 H THR A 7 1.664 6.686 6.336 1.00 0.00 H new ATOM 0 HA THR A 7 2.303 6.613 3.424 1.00 0.00 H new ATOM 0 HB THR A 7 2.118 9.131 3.806 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.553 8.163 6.064 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.351 9.145 3.797 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.262 7.830 2.766 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.375 7.467 4.388 1.00 0.00 H new ATOM 126 N LEU A 8 4.555 7.724 3.591 1.00 0.00 N ATOM 127 CA LEU A 8 5.984 7.970 3.670 1.00 0.00 C ATOM 128 C LEU A 8 6.242 9.152 4.607 1.00 0.00 C ATOM 129 O LEU A 8 7.391 9.475 4.904 1.00 0.00 O ATOM 130 CB LEU A 8 6.576 8.154 2.271 1.00 0.00 C ATOM 131 CG LEU A 8 8.046 7.763 2.108 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.191 6.556 1.179 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.880 8.955 1.633 1.00 0.00 C ATOM 0 H LEU A 8 4.140 7.910 2.678 1.00 0.00 H new ATOM 0 HA LEU A 8 6.496 7.107 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.985 7.568 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.465 9.200 1.986 1.00 0.00 H new ATOM 0 HG LEU A 8 8.432 7.468 3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.245 6.298 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.648 5.708 1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.783 6.801 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.921 8.651 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.502 9.303 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.812 9.761 2.363 1.00 0.00 H new ATOM 145 N THR A 9 5.154 9.767 5.046 1.00 0.00 N ATOM 146 CA THR A 9 5.247 10.907 5.942 1.00 0.00 C ATOM 147 C THR A 9 5.029 10.464 7.391 1.00 0.00 C ATOM 148 O THR A 9 5.032 11.290 8.303 1.00 0.00 O ATOM 149 CB THR A 9 4.244 11.962 5.472 1.00 0.00 C ATOM 150 OG1 THR A 9 4.754 13.184 5.996 1.00 0.00 O ATOM 151 CG2 THR A 9 2.877 11.810 6.143 1.00 0.00 C ATOM 0 H THR A 9 4.202 9.497 4.798 1.00 0.00 H new ATOM 0 HA THR A 9 6.242 11.351 5.916 1.00 0.00 H new ATOM 0 HB THR A 9 4.127 11.895 4.390 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.034 13.050 6.925 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.203 12.583 5.774 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.465 10.828 5.911 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.988 11.910 7.223 1.00 0.00 H new ATOM 159 N GLY A 10 4.847 9.163 7.558 1.00 0.00 N ATOM 160 CA GLY A 10 4.629 8.601 8.880 1.00 0.00 C ATOM 161 C GLY A 10 3.172 8.775 9.316 1.00 0.00 C ATOM 162 O GLY A 10 2.780 8.304 10.382 1.00 0.00 O ATOM 0 H GLY A 10 4.846 8.481 6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.887 7.542 8.876 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.288 9.087 9.599 1.00 0.00 H new ATOM 166 N LYS A 11 2.412 9.452 8.469 1.00 0.00 N ATOM 167 CA LYS A 11 1.007 9.693 8.753 1.00 0.00 C ATOM 168 C LYS A 11 0.224 8.393 8.572 1.00 0.00 C ATOM 169 O LYS A 11 0.580 7.559 7.740 1.00 0.00 O ATOM 170 CB LYS A 11 0.481 10.852 7.905 1.00 0.00 C ATOM 171 CG LYS A 11 -0.977 11.166 8.249 1.00 0.00 C ATOM 172 CD LYS A 11 -1.309 12.629 7.947 1.00 0.00 C ATOM 173 CE LYS A 11 -2.821 12.864 7.972 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.169 13.886 8.984 1.00 0.00 N ATOM 0 H LYS A 11 2.742 9.841 7.586 1.00 0.00 H new ATOM 0 HA LYS A 11 0.875 10.002 9.790 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.096 11.737 8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.563 10.600 6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.638 10.514 7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.158 10.958 9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.825 13.274 8.680 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.911 12.902 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.161 13.187 6.988 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.337 11.930 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.198 14.034 8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.862 13.563 9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.692 14.781 8.752 1.00 0.00 H new ATOM 188 N THR A 12 -0.830 8.259 9.365 1.00 0.00 N ATOM 189 CA THR A 12 -1.667 7.073 9.302 1.00 0.00 C ATOM 190 C THR A 12 -2.968 7.378 8.555 1.00 0.00 C ATOM 191 O THR A 12 -3.669 8.333 8.886 1.00 0.00 O ATOM 192 CB THR A 12 -1.889 6.575 10.731 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.634 6.008 11.100 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.863 5.396 10.796 1.00 0.00 C ATOM 0 H THR A 12 -1.123 8.952 10.054 1.00 0.00 H new ATOM 0 HA THR A 12 -1.183 6.276 8.737 1.00 0.00 H new ATOM 0 HB THR A 12 -2.267 7.392 11.345 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.688 5.662 12.015 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.985 5.082 11.833 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.829 5.700 10.393 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.469 4.566 10.209 1.00 0.00 H new ATOM 202 N ILE A 13 -3.252 6.546 7.564 1.00 0.00 N ATOM 203 CA ILE A 13 -4.456 6.715 6.769 1.00 0.00 C ATOM 204 C ILE A 13 -5.260 5.413 6.786 1.00 0.00 C ATOM 205 O ILE A 13 -4.773 4.373 6.342 1.00 0.00 O ATOM 206 CB ILE A 13 -4.105 7.202 5.361 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.891 8.717 5.343 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.163 6.760 4.348 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.470 9.065 4.896 1.00 0.00 C ATOM 0 H ILE A 13 -2.669 5.754 7.294 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.091 7.489 7.200 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.163 6.740 5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.612 9.182 4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.074 9.125 6.337 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.889 7.119 3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.223 5.672 4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.131 7.174 4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.345 10.148 4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.752 8.619 5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.299 8.676 3.892 1.00 0.00 H new ATOM 221 N THR A 14 -6.476 5.511 7.302 1.00 0.00 N ATOM 222 CA THR A 14 -7.351 4.355 7.383 1.00 0.00 C ATOM 223 C THR A 14 -8.308 4.327 6.191 1.00 0.00 C ATOM 224 O THR A 14 -8.780 5.371 5.744 1.00 0.00 O ATOM 225 CB THR A 14 -8.065 4.395 8.735 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.036 4.735 9.661 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.535 3.012 9.192 1.00 0.00 C ATOM 0 H THR A 14 -6.876 6.375 7.669 1.00 0.00 H new ATOM 0 HA THR A 14 -6.784 3.426 7.327 1.00 0.00 H new ATOM 0 HB THR A 14 -8.921 5.066 8.673 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.931 4.011 10.313 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.035 3.098 10.157 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.230 2.603 8.458 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.675 2.349 9.287 1.00 0.00 H new ATOM 235 N LEU A 15 -8.569 3.119 5.709 1.00 0.00 N ATOM 236 CA LEU A 15 -9.462 2.942 4.578 1.00 0.00 C ATOM 237 C LEU A 15 -10.372 1.739 4.835 1.00 0.00 C ATOM 238 O LEU A 15 -9.895 0.656 5.169 1.00 0.00 O ATOM 239 CB LEU A 15 -8.664 2.841 3.276 1.00 0.00 C ATOM 240 CG LEU A 15 -9.335 3.429 2.032 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.548 2.594 1.616 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.697 4.900 2.246 1.00 0.00 C ATOM 0 H LEU A 15 -8.177 2.254 6.082 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.108 3.813 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.707 3.342 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.448 1.790 3.086 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.621 3.391 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.006 3.034 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.229 1.576 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.274 2.577 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.172 5.292 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.385 4.987 3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.792 5.470 2.457 1.00 0.00 H new ATOM 254 N GLU A 16 -11.666 1.971 4.671 1.00 0.00 N ATOM 255 CA GLU A 16 -12.647 0.920 4.882 1.00 0.00 C ATOM 256 C GLU A 16 -13.027 0.273 3.549 1.00 0.00 C ATOM 257 O GLU A 16 -13.720 0.880 2.735 1.00 0.00 O ATOM 258 CB GLU A 16 -13.885 1.461 5.601 1.00 0.00 C ATOM 259 CG GLU A 16 -14.350 2.778 4.976 1.00 0.00 C ATOM 260 CD GLU A 16 -13.902 3.973 5.819 1.00 0.00 C ATOM 261 OE1 GLU A 16 -13.902 3.825 7.060 1.00 0.00 O ATOM 262 OE2 GLU A 16 -13.569 5.009 5.202 1.00 0.00 O ATOM 0 H GLU A 16 -12.058 2.871 4.394 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.201 0.157 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.689 0.727 5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.659 1.615 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.947 2.868 3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.436 2.779 4.886 1.00 0.00 H new ATOM 269 N VAL A 17 -12.556 -0.952 3.367 1.00 0.00 N ATOM 270 CA VAL A 17 -12.838 -1.689 2.147 1.00 0.00 C ATOM 271 C VAL A 17 -13.302 -3.103 2.505 1.00 0.00 C ATOM 272 O VAL A 17 -13.439 -3.435 3.680 1.00 0.00 O ATOM 273 CB VAL A 17 -11.611 -1.675 1.233 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.176 -0.242 0.921 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.461 -2.477 1.846 1.00 0.00 C ATOM 0 H VAL A 17 -11.981 -1.453 4.044 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.646 -1.214 1.591 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.888 -2.153 0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.302 -0.261 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.989 0.285 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.926 0.273 1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.602 -2.451 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.186 -2.042 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.776 -3.510 1.992 1.00 0.00 H new ATOM 285 N GLU A 18 -13.528 -3.896 1.469 1.00 0.00 N ATOM 286 CA GLU A 18 -13.973 -5.267 1.659 1.00 0.00 C ATOM 287 C GLU A 18 -12.838 -6.242 1.340 1.00 0.00 C ATOM 288 O GLU A 18 -11.918 -5.908 0.595 1.00 0.00 O ATOM 289 CB GLU A 18 -15.208 -5.566 0.806 1.00 0.00 C ATOM 290 CG GLU A 18 -16.487 -5.464 1.639 1.00 0.00 C ATOM 291 CD GLU A 18 -17.038 -6.854 1.967 1.00 0.00 C ATOM 292 OE1 GLU A 18 -16.998 -7.710 1.057 1.00 0.00 O ATOM 293 OE2 GLU A 18 -17.489 -7.027 3.120 1.00 0.00 O ATOM 0 H GLU A 18 -13.412 -3.616 0.495 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.254 -5.396 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.256 -4.866 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.126 -6.566 0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.282 -4.923 2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.236 -4.891 1.093 1.00 0.00 H new ATOM 300 N PRO A 19 -12.941 -7.459 1.939 1.00 0.00 N ATOM 301 CA PRO A 19 -11.935 -8.485 1.726 1.00 0.00 C ATOM 302 C PRO A 19 -12.077 -9.116 0.339 1.00 0.00 C ATOM 303 O PRO A 19 -11.179 -9.818 -0.123 1.00 0.00 O ATOM 304 CB PRO A 19 -12.144 -9.481 2.856 1.00 0.00 C ATOM 305 CG PRO A 19 -13.547 -9.224 3.383 1.00 0.00 C ATOM 306 CD PRO A 19 -14.016 -7.889 2.828 1.00 0.00 C ATOM 0 HA PRO A 19 -10.920 -8.088 1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.043 -10.505 2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.400 -9.343 3.641 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.222 -10.023 3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.548 -9.206 4.473 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.958 -7.993 2.289 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.183 -7.165 3.626 1.00 0.00 H new ATOM 314 N SER A 20 -13.213 -8.842 -0.285 1.00 0.00 N ATOM 315 CA SER A 20 -13.484 -9.373 -1.610 1.00 0.00 C ATOM 316 C SER A 20 -12.964 -8.408 -2.678 1.00 0.00 C ATOM 317 O SER A 20 -12.658 -8.820 -3.796 1.00 0.00 O ATOM 318 CB SER A 20 -14.980 -9.626 -1.807 1.00 0.00 C ATOM 319 OG SER A 20 -15.269 -11.009 -1.991 1.00 0.00 O ATOM 0 H SER A 20 -13.956 -8.260 0.102 1.00 0.00 H new ATOM 0 HA SER A 20 -12.966 -10.327 -1.708 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.528 -9.254 -0.941 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.332 -9.064 -2.672 1.00 0.00 H new ATOM 0 HG SER A 20 -16.234 -11.128 -2.112 1.00 0.00 H new ATOM 325 N ASP A 21 -12.880 -7.142 -2.295 1.00 0.00 N ATOM 326 CA ASP A 21 -12.403 -6.115 -3.206 1.00 0.00 C ATOM 327 C ASP A 21 -10.936 -6.385 -3.547 1.00 0.00 C ATOM 328 O ASP A 21 -10.181 -6.878 -2.710 1.00 0.00 O ATOM 329 CB ASP A 21 -12.494 -4.728 -2.567 1.00 0.00 C ATOM 330 CG ASP A 21 -13.834 -4.408 -1.903 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.792 -5.167 -2.165 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.870 -3.412 -1.149 1.00 0.00 O ATOM 0 H ASP A 21 -13.134 -6.804 -1.367 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.025 -6.141 -4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.705 -4.636 -1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.297 -3.978 -3.333 1.00 0.00 H new ATOM 337 N THR A 22 -10.577 -6.049 -4.777 1.00 0.00 N ATOM 338 CA THR A 22 -9.213 -6.247 -5.238 1.00 0.00 C ATOM 339 C THR A 22 -8.340 -5.051 -4.856 1.00 0.00 C ATOM 340 O THR A 22 -8.850 -4.022 -4.414 1.00 0.00 O ATOM 341 CB THR A 22 -9.257 -6.510 -6.745 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.644 -5.258 -7.305 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.390 -7.460 -7.141 1.00 0.00 C ATOM 0 H THR A 22 -11.206 -5.641 -5.468 1.00 0.00 H new ATOM 0 HA THR A 22 -8.755 -7.110 -4.755 1.00 0.00 H new ATOM 0 HB THR A 22 -8.303 -6.927 -7.068 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.850 -5.375 -8.256 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.376 -7.613 -8.220 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.255 -8.417 -6.637 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.347 -7.027 -6.848 1.00 0.00 H new ATOM 351 N ILE A 23 -7.040 -5.226 -5.040 1.00 0.00 N ATOM 352 CA ILE A 23 -6.091 -4.171 -4.720 1.00 0.00 C ATOM 353 C ILE A 23 -6.445 -2.913 -5.514 1.00 0.00 C ATOM 354 O ILE A 23 -6.729 -1.867 -4.933 1.00 0.00 O ATOM 355 CB ILE A 23 -4.657 -4.656 -4.942 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.212 -5.588 -3.814 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.700 -3.476 -5.121 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.345 -4.904 -2.452 1.00 0.00 C ATOM 0 H ILE A 23 -6.621 -6.081 -5.406 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.155 -3.909 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.632 -5.234 -5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.815 -6.496 -3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.177 -5.890 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.688 -3.849 -5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.007 -2.887 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.723 -2.851 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.022 -5.589 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.722 -4.010 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.386 -4.626 -2.285 1.00 0.00 H new ATOM 370 N GLU A 24 -6.417 -3.056 -6.832 1.00 0.00 N ATOM 371 CA GLU A 24 -6.731 -1.944 -7.713 1.00 0.00 C ATOM 372 C GLU A 24 -7.976 -1.208 -7.215 1.00 0.00 C ATOM 373 O GLU A 24 -8.105 0.001 -7.404 1.00 0.00 O ATOM 374 CB GLU A 24 -6.917 -2.422 -9.154 1.00 0.00 C ATOM 375 CG GLU A 24 -8.121 -3.359 -9.271 1.00 0.00 C ATOM 376 CD GLU A 24 -7.715 -4.699 -9.886 1.00 0.00 C ATOM 377 OE1 GLU A 24 -6.796 -5.330 -9.319 1.00 0.00 O ATOM 378 OE2 GLU A 24 -8.332 -5.064 -10.910 1.00 0.00 O ATOM 0 H GLU A 24 -6.182 -3.926 -7.310 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.892 -1.248 -7.701 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.055 -1.563 -9.811 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.017 -2.938 -9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.555 -3.524 -8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.892 -2.892 -9.884 1.00 0.00 H new ATOM 385 N ASN A 25 -8.861 -1.968 -6.586 1.00 0.00 N ATOM 386 CA ASN A 25 -10.092 -1.403 -6.059 1.00 0.00 C ATOM 387 C ASN A 25 -9.775 -0.572 -4.813 1.00 0.00 C ATOM 388 O ASN A 25 -10.291 0.533 -4.650 1.00 0.00 O ATOM 389 CB ASN A 25 -11.075 -2.503 -5.654 1.00 0.00 C ATOM 390 CG ASN A 25 -12.518 -2.084 -5.946 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.059 -1.170 -5.345 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.107 -2.801 -6.898 1.00 0.00 N ATOM 0 H ASN A 25 -8.750 -2.970 -6.430 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.540 -0.788 -6.839 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.843 -3.420 -6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.964 -2.722 -4.592 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.070 -2.600 -7.166 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.596 -3.553 -7.361 1.00 0.00 H new ATOM 399 N VAL A 26 -8.926 -1.136 -3.965 1.00 0.00 N ATOM 400 CA VAL A 26 -8.534 -0.462 -2.739 1.00 0.00 C ATOM 401 C VAL A 26 -7.781 0.824 -3.089 1.00 0.00 C ATOM 402 O VAL A 26 -8.015 1.868 -2.482 1.00 0.00 O ATOM 403 CB VAL A 26 -7.719 -1.411 -1.858 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.540 -0.836 -0.452 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.362 -2.799 -1.806 1.00 0.00 C ATOM 0 H VAL A 26 -8.499 -2.052 -4.103 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.413 -0.178 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.730 -1.517 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.957 -1.530 0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.018 0.119 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.517 -0.686 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.763 -3.454 -1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.368 -2.719 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.413 -3.214 -2.813 1.00 0.00 H new ATOM 415 N LYS A 27 -6.894 0.706 -4.065 1.00 0.00 N ATOM 416 CA LYS A 27 -6.106 1.846 -4.503 1.00 0.00 C ATOM 417 C LYS A 27 -7.037 2.908 -5.091 1.00 0.00 C ATOM 418 O LYS A 27 -6.886 4.096 -4.808 1.00 0.00 O ATOM 419 CB LYS A 27 -5.000 1.398 -5.460 1.00 0.00 C ATOM 420 CG LYS A 27 -3.661 1.272 -4.732 1.00 0.00 C ATOM 421 CD LYS A 27 -2.908 0.019 -5.182 1.00 0.00 C ATOM 422 CE LYS A 27 -2.187 0.260 -6.510 1.00 0.00 C ATOM 423 NZ LYS A 27 -2.016 -1.013 -7.245 1.00 0.00 N ATOM 0 H LYS A 27 -6.703 -0.162 -4.566 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.595 2.304 -3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.267 0.440 -5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.908 2.115 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.053 2.155 -4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.830 1.232 -3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.185 -0.269 -4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.607 -0.811 -5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.756 0.964 -7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.213 0.714 -6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.525 -0.832 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.454 -1.673 -6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.949 -1.430 -7.438 1.00 0.00 H new ATOM 437 N ALA A 28 -7.979 2.443 -5.898 1.00 0.00 N ATOM 438 CA ALA A 28 -8.934 3.338 -6.528 1.00 0.00 C ATOM 439 C ALA A 28 -9.683 4.119 -5.448 1.00 0.00 C ATOM 440 O ALA A 28 -9.931 5.315 -5.601 1.00 0.00 O ATOM 441 CB ALA A 28 -9.876 2.530 -7.424 1.00 0.00 C ATOM 0 H ALA A 28 -8.101 1.457 -6.130 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.422 4.062 -7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.593 3.201 -7.897 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.297 2.018 -8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.410 1.795 -6.822 1.00 0.00 H new ATOM 447 N LYS A 29 -10.023 3.413 -4.379 1.00 0.00 N ATOM 448 CA LYS A 29 -10.740 4.026 -3.275 1.00 0.00 C ATOM 449 C LYS A 29 -9.850 5.084 -2.619 1.00 0.00 C ATOM 450 O LYS A 29 -10.318 6.169 -2.276 1.00 0.00 O ATOM 451 CB LYS A 29 -11.241 2.957 -2.302 1.00 0.00 C ATOM 452 CG LYS A 29 -12.659 3.274 -1.821 1.00 0.00 C ATOM 453 CD LYS A 29 -13.209 2.142 -0.951 1.00 0.00 C ATOM 454 CE LYS A 29 -14.648 2.431 -0.521 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.379 1.167 -0.277 1.00 0.00 N ATOM 0 H LYS A 29 -9.815 2.422 -4.255 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.631 4.538 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.228 1.982 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.568 2.895 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.655 4.204 -1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.312 3.428 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.172 1.203 -1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.580 2.018 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.648 3.039 0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.156 3.009 -1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.354 1.381 0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.394 0.601 -1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.903 0.630 0.476 1.00 0.00 H new ATOM 469 N ILE A 30 -8.582 4.732 -2.465 1.00 0.00 N ATOM 470 CA ILE A 30 -7.621 5.638 -1.858 1.00 0.00 C ATOM 471 C ILE A 30 -7.491 6.892 -2.724 1.00 0.00 C ATOM 472 O ILE A 30 -7.325 7.995 -2.205 1.00 0.00 O ATOM 473 CB ILE A 30 -6.292 4.922 -1.609 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.433 3.874 -0.502 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.176 5.925 -1.310 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.401 2.757 -0.671 1.00 0.00 C ATOM 0 H ILE A 30 -8.197 3.831 -2.750 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.970 5.962 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.013 4.393 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.305 4.348 0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.438 3.452 -0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.242 5.390 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.056 6.599 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.434 6.502 -0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.522 2.026 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.547 2.269 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.397 3.179 -0.627 1.00 0.00 H new ATOM 488 N GLN A 31 -7.571 6.681 -4.030 1.00 0.00 N ATOM 489 CA GLN A 31 -7.464 7.782 -4.973 1.00 0.00 C ATOM 490 C GLN A 31 -8.650 8.735 -4.813 1.00 0.00 C ATOM 491 O GLN A 31 -8.466 9.921 -4.541 1.00 0.00 O ATOM 492 CB GLN A 31 -7.367 7.264 -6.410 1.00 0.00 C ATOM 493 CG GLN A 31 -7.225 8.422 -7.400 1.00 0.00 C ATOM 494 CD GLN A 31 -7.772 8.035 -8.777 1.00 0.00 C ATOM 495 OE1 GLN A 31 -8.358 6.982 -8.967 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.548 8.944 -9.722 1.00 0.00 N ATOM 0 H GLN A 31 -7.709 5.765 -4.457 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.549 8.333 -4.757 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.512 6.594 -6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.256 6.681 -6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.760 9.294 -7.024 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.176 8.704 -7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.051 9.805 -9.494 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.874 8.780 -10.675 1.00 0.00 H new ATOM 505 N ASP A 32 -9.841 8.182 -4.989 1.00 0.00 N ATOM 506 CA ASP A 32 -11.057 8.969 -4.868 1.00 0.00 C ATOM 507 C ASP A 32 -11.072 9.670 -3.508 1.00 0.00 C ATOM 508 O ASP A 32 -11.687 10.725 -3.357 1.00 0.00 O ATOM 509 CB ASP A 32 -12.299 8.079 -4.954 1.00 0.00 C ATOM 510 CG ASP A 32 -13.333 8.514 -5.994 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.920 8.713 -7.157 1.00 0.00 O ATOM 512 OD2 ASP A 32 -14.515 8.635 -5.604 1.00 0.00 O ATOM 0 H ASP A 32 -9.990 7.198 -5.214 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.074 9.692 -5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.983 7.061 -5.181 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.778 8.054 -3.975 1.00 0.00 H new ATOM 517 N LYS A 33 -10.387 9.057 -2.554 1.00 0.00 N ATOM 518 CA LYS A 33 -10.314 9.609 -1.212 1.00 0.00 C ATOM 519 C LYS A 33 -9.369 10.814 -1.212 1.00 0.00 C ATOM 520 O LYS A 33 -9.814 11.955 -1.091 1.00 0.00 O ATOM 521 CB LYS A 33 -9.926 8.524 -0.206 1.00 0.00 C ATOM 522 CG LYS A 33 -11.050 8.287 0.805 1.00 0.00 C ATOM 523 CD LYS A 33 -11.870 7.050 0.432 1.00 0.00 C ATOM 524 CE LYS A 33 -13.368 7.357 0.459 1.00 0.00 C ATOM 525 NZ LYS A 33 -13.889 7.520 -0.917 1.00 0.00 N ATOM 0 H LYS A 33 -9.877 8.183 -2.684 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.293 9.970 -0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.705 7.596 -0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.016 8.817 0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.627 8.161 1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.700 9.161 0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.584 6.705 -0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.649 6.240 1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.901 6.551 0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.549 8.266 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.907 7.728 -0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.392 8.304 -1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.734 6.642 -1.453 1.00 0.00 H new ATOM 539 N GLU A 34 -8.085 10.519 -1.349 1.00 0.00 N ATOM 540 CA GLU A 34 -7.076 11.563 -1.368 1.00 0.00 C ATOM 541 C GLU A 34 -6.840 12.050 -2.799 1.00 0.00 C ATOM 542 O GLU A 34 -7.001 13.233 -3.091 1.00 0.00 O ATOM 543 CB GLU A 34 -5.772 11.076 -0.732 1.00 0.00 C ATOM 544 CG GLU A 34 -5.842 11.157 0.794 1.00 0.00 C ATOM 545 CD GLU A 34 -6.617 9.971 1.371 1.00 0.00 C ATOM 546 OE1 GLU A 34 -6.246 8.828 1.026 1.00 0.00 O ATOM 547 OE2 GLU A 34 -7.563 10.234 2.145 1.00 0.00 O ATOM 0 H GLU A 34 -7.720 9.572 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.440 12.403 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.577 10.048 -1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.939 11.679 -1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.834 11.173 1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.323 12.089 1.091 1.00 0.00 H new ATOM 554 N GLY A 35 -6.460 11.111 -3.654 1.00 0.00 N ATOM 555 CA GLY A 35 -6.200 11.429 -5.047 1.00 0.00 C ATOM 556 C GLY A 35 -4.799 10.974 -5.461 1.00 0.00 C ATOM 557 O GLY A 35 -4.135 11.641 -6.254 1.00 0.00 O ATOM 0 H GLY A 35 -6.326 10.130 -3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.945 10.946 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.298 12.503 -5.203 1.00 0.00 H new ATOM 561 N ILE A 36 -4.391 9.842 -4.906 1.00 0.00 N ATOM 562 CA ILE A 36 -3.081 9.291 -5.208 1.00 0.00 C ATOM 563 C ILE A 36 -3.191 8.358 -6.415 1.00 0.00 C ATOM 564 O ILE A 36 -4.179 7.639 -6.561 1.00 0.00 O ATOM 565 CB ILE A 36 -2.482 8.624 -3.968 1.00 0.00 C ATOM 566 CG1 ILE A 36 -2.266 9.644 -2.848 1.00 0.00 C ATOM 567 CG2 ILE A 36 -1.194 7.875 -4.317 1.00 0.00 C ATOM 568 CD1 ILE A 36 -2.621 9.044 -1.486 1.00 0.00 C ATOM 0 H ILE A 36 -4.944 9.292 -4.249 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.387 10.086 -5.481 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.194 7.886 -3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.227 9.972 -2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.879 10.527 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.789 7.410 -3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.410 7.105 -5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.465 8.575 -4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.459 9.789 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.667 8.739 -1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.990 8.176 -1.295 1.00 0.00 H new ATOM 580 N PRO A 37 -2.136 8.400 -7.273 1.00 0.00 N ATOM 581 CA PRO A 37 -2.105 7.566 -8.463 1.00 0.00 C ATOM 582 C PRO A 37 -1.800 6.110 -8.104 1.00 0.00 C ATOM 583 O PRO A 37 -0.997 5.842 -7.213 1.00 0.00 O ATOM 584 CB PRO A 37 -1.045 8.192 -9.354 1.00 0.00 C ATOM 585 CG PRO A 37 -0.200 9.069 -8.444 1.00 0.00 C ATOM 586 CD PRO A 37 -0.949 9.239 -7.133 1.00 0.00 C ATOM 0 HA PRO A 37 -3.066 7.528 -8.976 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.436 7.426 -9.834 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.502 8.781 -10.150 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.774 8.612 -8.270 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.019 10.038 -8.909 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.340 8.925 -6.285 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.219 10.281 -6.963 1.00 0.00 H new ATOM 594 N PRO A 38 -2.477 5.185 -8.838 1.00 0.00 N ATOM 595 CA PRO A 38 -2.287 3.763 -8.606 1.00 0.00 C ATOM 596 C PRO A 38 -0.949 3.289 -9.177 1.00 0.00 C ATOM 597 O PRO A 38 -0.357 2.336 -8.672 1.00 0.00 O ATOM 598 CB PRO A 38 -3.483 3.094 -9.263 1.00 0.00 C ATOM 599 CG PRO A 38 -4.052 4.117 -10.232 1.00 0.00 C ATOM 600 CD PRO A 38 -3.436 5.467 -9.901 1.00 0.00 C ATOM 0 HA PRO A 38 -2.240 3.512 -7.546 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.184 2.185 -9.785 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.226 2.805 -8.520 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.825 3.836 -11.260 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.138 4.162 -10.146 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.946 5.903 -10.771 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.194 6.178 -9.572 1.00 0.00 H new ATOM 608 N ASP A 39 -0.510 3.976 -10.222 1.00 0.00 N ATOM 609 CA ASP A 39 0.746 3.637 -10.867 1.00 0.00 C ATOM 610 C ASP A 39 1.902 3.935 -9.911 1.00 0.00 C ATOM 611 O ASP A 39 2.932 3.264 -9.947 1.00 0.00 O ATOM 612 CB ASP A 39 0.955 4.466 -12.135 1.00 0.00 C ATOM 613 CG ASP A 39 0.541 3.776 -13.436 1.00 0.00 C ATOM 614 OD1 ASP A 39 1.270 2.846 -13.843 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.497 4.192 -13.994 1.00 0.00 O ATOM 0 H ASP A 39 -1.003 4.766 -10.638 1.00 0.00 H new ATOM 0 HA ASP A 39 0.716 2.579 -11.129 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.393 5.395 -12.040 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.009 4.736 -12.204 1.00 0.00 H new ATOM 620 N GLN A 40 1.694 4.944 -9.077 1.00 0.00 N ATOM 621 CA GLN A 40 2.705 5.340 -8.113 1.00 0.00 C ATOM 622 C GLN A 40 2.365 4.786 -6.729 1.00 0.00 C ATOM 623 O GLN A 40 2.962 5.188 -5.730 1.00 0.00 O ATOM 624 CB GLN A 40 2.859 6.861 -8.072 1.00 0.00 C ATOM 625 CG GLN A 40 4.335 7.264 -8.085 1.00 0.00 C ATOM 626 CD GLN A 40 4.847 7.420 -9.518 1.00 0.00 C ATOM 627 OE1 GLN A 40 4.238 6.972 -10.476 1.00 0.00 O ATOM 628 NE2 GLN A 40 6.000 8.078 -9.612 1.00 0.00 N ATOM 0 H GLN A 40 0.839 5.499 -9.050 1.00 0.00 H new ATOM 0 HA GLN A 40 3.661 4.920 -8.426 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.350 7.305 -8.928 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.379 7.255 -7.176 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.465 8.202 -7.544 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.926 6.511 -7.564 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.458 8.427 -8.770 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.426 8.233 -10.526 1.00 0.00 H new ATOM 637 N GLN A 41 1.406 3.872 -6.712 1.00 0.00 N ATOM 638 CA GLN A 41 0.978 3.258 -5.465 1.00 0.00 C ATOM 639 C GLN A 41 1.755 1.963 -5.217 1.00 0.00 C ATOM 640 O GLN A 41 1.813 1.095 -6.085 1.00 0.00 O ATOM 641 CB GLN A 41 -0.530 3.001 -5.470 1.00 0.00 C ATOM 642 CG GLN A 41 -1.299 4.235 -4.995 1.00 0.00 C ATOM 643 CD GLN A 41 -2.040 3.950 -3.687 1.00 0.00 C ATOM 644 OE1 GLN A 41 -1.463 3.549 -2.690 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.350 4.176 -3.748 1.00 0.00 N ATOM 0 H GLN A 41 0.913 3.541 -7.541 1.00 0.00 H new ATOM 0 HA GLN A 41 1.193 3.949 -4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.853 2.732 -6.476 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.760 2.154 -4.824 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.608 5.066 -4.852 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.011 4.541 -5.761 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.770 4.512 -4.615 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.934 4.014 -2.928 1.00 0.00 H new ATOM 654 N ARG A 42 2.332 1.876 -4.028 1.00 0.00 N ATOM 655 CA ARG A 42 3.103 0.702 -3.654 1.00 0.00 C ATOM 656 C ARG A 42 2.716 0.238 -2.249 1.00 0.00 C ATOM 657 O ARG A 42 3.223 0.762 -1.257 1.00 0.00 O ATOM 658 CB ARG A 42 4.604 0.994 -3.693 1.00 0.00 C ATOM 659 CG ARG A 42 5.332 0.008 -4.609 1.00 0.00 C ATOM 660 CD ARG A 42 6.188 -0.966 -3.798 1.00 0.00 C ATOM 661 NE ARG A 42 6.336 -2.242 -4.532 1.00 0.00 N ATOM 662 CZ ARG A 42 7.137 -2.410 -5.592 1.00 0.00 C ATOM 663 NH1 ARG A 42 7.866 -1.384 -6.051 1.00 0.00 N ATOM 664 NH2 ARG A 42 7.208 -3.604 -6.196 1.00 0.00 N ATOM 0 H ARG A 42 2.281 2.599 -3.311 1.00 0.00 H new ATOM 0 HA ARG A 42 2.879 -0.085 -4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.771 2.012 -4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.016 0.932 -2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.605 -0.548 -5.201 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.963 0.555 -5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.169 -0.530 -3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.727 -1.147 -2.827 1.00 0.00 H new ATOM 0 HE ARG A 42 5.794 -3.044 -4.211 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.811 -0.474 -5.593 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.476 -1.513 -6.858 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.652 -4.385 -5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.818 -3.732 -7.003 1.00 0.00 H new ATOM 678 N LEU A 43 1.822 -0.739 -2.207 1.00 0.00 N ATOM 679 CA LEU A 43 1.361 -1.278 -0.940 1.00 0.00 C ATOM 680 C LEU A 43 2.141 -2.555 -0.621 1.00 0.00 C ATOM 681 O LEU A 43 2.066 -3.534 -1.363 1.00 0.00 O ATOM 682 CB LEU A 43 -0.157 -1.473 -0.960 1.00 0.00 C ATOM 683 CG LEU A 43 -0.938 -0.559 -1.906 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.428 -0.907 -1.899 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.691 0.913 -1.573 1.00 0.00 C ATOM 0 H LEU A 43 1.405 -1.171 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 43 1.557 -0.573 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.367 -2.508 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.536 -1.325 0.051 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.574 -0.725 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.960 -0.242 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.562 -1.940 -2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.825 -0.787 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.258 1.542 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.011 1.113 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.372 1.135 -1.671 1.00 0.00 H new ATOM 697 N ILE A 44 2.872 -2.505 0.483 1.00 0.00 N ATOM 698 CA ILE A 44 3.665 -3.646 0.909 1.00 0.00 C ATOM 699 C ILE A 44 3.006 -4.291 2.130 1.00 0.00 C ATOM 700 O ILE A 44 2.474 -3.596 2.993 1.00 0.00 O ATOM 701 CB ILE A 44 5.118 -3.230 1.143 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.774 -2.774 -0.163 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.907 -4.353 1.818 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.731 -1.607 0.084 1.00 0.00 C ATOM 0 H ILE A 44 2.932 -1.692 1.096 1.00 0.00 H new ATOM 0 HA ILE A 44 3.696 -4.403 0.125 1.00 0.00 H new ATOM 0 HB ILE A 44 5.125 -2.378 1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.317 -3.606 -0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.005 -2.474 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.937 -4.032 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.452 -4.590 2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.895 -5.239 1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.184 -1.302 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.180 -0.768 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.512 -1.918 0.778 1.00 0.00 H new ATOM 716 N PHE A 45 3.063 -5.615 2.162 1.00 0.00 N ATOM 717 CA PHE A 45 2.479 -6.362 3.262 1.00 0.00 C ATOM 718 C PHE A 45 3.201 -7.696 3.464 1.00 0.00 C ATOM 719 O PHE A 45 3.292 -8.502 2.539 1.00 0.00 O ATOM 720 CB PHE A 45 1.020 -6.636 2.893 1.00 0.00 C ATOM 721 CG PHE A 45 0.087 -6.766 4.099 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.019 -5.765 5.016 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.675 -7.883 4.252 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.848 -5.885 6.135 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.541 -8.003 5.370 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.610 -7.002 6.289 1.00 0.00 C ATOM 0 H PHE A 45 3.505 -6.189 1.444 1.00 0.00 H new ATOM 0 HA PHE A 45 2.564 -5.790 4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.660 -5.830 2.253 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.970 -7.554 2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.624 -4.879 4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.621 -8.678 3.523 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.902 -5.090 6.864 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.146 -8.890 5.491 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.269 -7.094 7.140 1.00 0.00 H new ATOM 736 N ALA A 46 3.695 -7.889 4.677 1.00 0.00 N ATOM 737 CA ALA A 46 4.405 -9.112 5.011 1.00 0.00 C ATOM 738 C ALA A 46 5.596 -9.279 4.066 1.00 0.00 C ATOM 739 O ALA A 46 6.076 -10.391 3.857 1.00 0.00 O ATOM 740 CB ALA A 46 3.439 -10.297 4.949 1.00 0.00 C ATOM 0 H ALA A 46 3.618 -7.219 5.442 1.00 0.00 H new ATOM 0 HA ALA A 46 4.796 -9.064 6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.972 -11.214 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.628 -10.143 5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.028 -10.379 3.943 1.00 0.00 H new ATOM 746 N GLY A 47 6.039 -8.156 3.519 1.00 0.00 N ATOM 747 CA GLY A 47 7.164 -8.164 2.600 1.00 0.00 C ATOM 748 C GLY A 47 6.694 -8.373 1.158 1.00 0.00 C ATOM 749 O GLY A 47 7.460 -8.172 0.217 1.00 0.00 O ATOM 0 H GLY A 47 5.639 -7.234 3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.707 -7.222 2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.859 -8.956 2.878 1.00 0.00 H new ATOM 753 N LYS A 48 5.437 -8.773 1.032 1.00 0.00 N ATOM 754 CA LYS A 48 4.857 -9.011 -0.278 1.00 0.00 C ATOM 755 C LYS A 48 4.013 -7.801 -0.684 1.00 0.00 C ATOM 756 O LYS A 48 3.157 -7.353 0.076 1.00 0.00 O ATOM 757 CB LYS A 48 4.083 -10.331 -0.290 1.00 0.00 C ATOM 758 CG LYS A 48 3.673 -10.714 -1.714 1.00 0.00 C ATOM 759 CD LYS A 48 4.441 -11.948 -2.192 1.00 0.00 C ATOM 760 CE LYS A 48 3.577 -13.206 -2.086 1.00 0.00 C ATOM 761 NZ LYS A 48 4.360 -14.325 -1.516 1.00 0.00 N ATOM 0 H LYS A 48 4.805 -8.938 1.815 1.00 0.00 H new ATOM 0 HA LYS A 48 5.641 -9.121 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.698 -11.121 0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.195 -10.242 0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.602 -10.913 -1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.863 -9.879 -2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.758 -11.806 -3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.345 -12.072 -1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.708 -13.006 -1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.202 -13.481 -3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.759 -15.171 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.176 -14.526 -2.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.696 -14.065 -0.567 1.00 0.00 H new ATOM 775 N GLN A 49 4.285 -7.305 -1.883 1.00 0.00 N ATOM 776 CA GLN A 49 3.562 -6.156 -2.400 1.00 0.00 C ATOM 777 C GLN A 49 2.255 -6.603 -3.058 1.00 0.00 C ATOM 778 O GLN A 49 2.249 -7.531 -3.866 1.00 0.00 O ATOM 779 CB GLN A 49 4.426 -5.359 -3.380 1.00 0.00 C ATOM 780 CG GLN A 49 5.052 -6.279 -4.431 1.00 0.00 C ATOM 781 CD GLN A 49 6.525 -6.547 -4.117 1.00 0.00 C ATOM 782 OE1 GLN A 49 7.023 -6.244 -3.046 1.00 0.00 O ATOM 783 NE2 GLN A 49 7.191 -7.131 -5.109 1.00 0.00 N ATOM 0 H GLN A 49 4.997 -7.679 -2.511 1.00 0.00 H new ATOM 0 HA GLN A 49 3.319 -5.499 -1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.818 -4.599 -3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.212 -4.835 -2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.506 -7.222 -4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.964 -5.823 -5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.712 -7.358 -5.981 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.181 -7.352 -4.998 1.00 0.00 H new ATOM 792 N LEU A 50 1.180 -5.921 -2.689 1.00 0.00 N ATOM 793 CA LEU A 50 -0.129 -6.237 -3.235 1.00 0.00 C ATOM 794 C LEU A 50 -0.256 -5.625 -4.632 1.00 0.00 C ATOM 795 O LEU A 50 -0.394 -4.411 -4.772 1.00 0.00 O ATOM 796 CB LEU A 50 -1.232 -5.797 -2.269 1.00 0.00 C ATOM 797 CG LEU A 50 -0.853 -5.769 -0.787 1.00 0.00 C ATOM 798 CD1 LEU A 50 -2.072 -5.463 0.084 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.164 -7.072 -0.373 1.00 0.00 C ATOM 0 H LEU A 50 1.189 -5.152 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.245 -7.315 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.564 -4.800 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.084 -6.465 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.136 -4.963 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.775 -5.449 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.481 -4.491 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.830 -6.231 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.095 -7.026 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.838 -7.911 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.742 -7.208 -0.963 1.00 0.00 H new ATOM 811 N GLU A 51 -0.204 -6.494 -5.630 1.00 0.00 N ATOM 812 CA GLU A 51 -0.312 -6.055 -7.011 1.00 0.00 C ATOM 813 C GLU A 51 -1.778 -6.029 -7.448 1.00 0.00 C ATOM 814 O GLU A 51 -2.540 -6.941 -7.131 1.00 0.00 O ATOM 815 CB GLU A 51 0.520 -6.946 -7.936 1.00 0.00 C ATOM 816 CG GLU A 51 0.894 -6.206 -9.221 1.00 0.00 C ATOM 817 CD GLU A 51 0.288 -6.893 -10.446 1.00 0.00 C ATOM 818 OE1 GLU A 51 -0.937 -7.135 -10.413 1.00 0.00 O ATOM 819 OE2 GLU A 51 1.065 -7.160 -11.389 1.00 0.00 O ATOM 0 H GLU A 51 -0.088 -7.500 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 51 0.085 -5.042 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.425 -7.266 -7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.043 -7.847 -8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.543 -5.176 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.979 -6.168 -9.320 1.00 0.00 H new ATOM 826 N ASP A 52 -2.129 -4.973 -8.166 1.00 0.00 N ATOM 827 CA ASP A 52 -3.490 -4.815 -8.650 1.00 0.00 C ATOM 828 C ASP A 52 -3.955 -6.127 -9.287 1.00 0.00 C ATOM 829 O ASP A 52 -3.525 -6.473 -10.386 1.00 0.00 O ATOM 830 CB ASP A 52 -3.575 -3.717 -9.712 1.00 0.00 C ATOM 831 CG ASP A 52 -2.346 -3.597 -10.616 1.00 0.00 C ATOM 832 OD1 ASP A 52 -1.250 -3.372 -10.058 1.00 0.00 O ATOM 833 OD2 ASP A 52 -2.531 -3.733 -11.844 1.00 0.00 O ATOM 0 H ASP A 52 -1.494 -4.218 -8.425 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.120 -4.544 -7.802 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.450 -3.902 -10.336 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.736 -2.761 -9.213 1.00 0.00 H new ATOM 838 N GLY A 53 -4.829 -6.819 -8.569 1.00 0.00 N ATOM 839 CA GLY A 53 -5.356 -8.084 -9.051 1.00 0.00 C ATOM 840 C GLY A 53 -5.519 -9.083 -7.904 1.00 0.00 C ATOM 841 O GLY A 53 -6.202 -10.095 -8.049 1.00 0.00 O ATOM 0 H GLY A 53 -5.184 -6.527 -7.659 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.319 -7.920 -9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.686 -8.497 -9.805 1.00 0.00 H new ATOM 845 N ARG A 54 -4.878 -8.764 -6.789 1.00 0.00 N ATOM 846 CA ARG A 54 -4.941 -9.621 -5.617 1.00 0.00 C ATOM 847 C ARG A 54 -6.017 -9.118 -4.651 1.00 0.00 C ATOM 848 O ARG A 54 -6.296 -7.922 -4.595 1.00 0.00 O ATOM 849 CB ARG A 54 -3.594 -9.665 -4.893 1.00 0.00 C ATOM 850 CG ARG A 54 -2.680 -10.731 -5.501 1.00 0.00 C ATOM 851 CD ARG A 54 -2.676 -12.001 -4.647 1.00 0.00 C ATOM 852 NE ARG A 54 -1.387 -12.711 -4.804 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.120 -13.910 -4.268 1.00 0.00 C ATOM 854 NH1 ARG A 54 -2.050 -14.541 -3.538 1.00 0.00 N ATOM 855 NH2 ARG A 54 0.078 -14.479 -4.462 1.00 0.00 N ATOM 0 H ARG A 54 -4.312 -7.923 -6.672 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.191 -10.627 -5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.112 -8.689 -4.954 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.752 -9.876 -3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.014 -10.969 -6.511 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.666 -10.341 -5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.835 -11.745 -3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.498 -12.652 -4.944 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.656 -12.260 -5.354 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.962 -14.109 -3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.846 -15.454 -3.130 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.786 -13.999 -5.018 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.281 -15.392 -4.054 1.00 0.00 H new ATOM 869 N THR A 55 -6.590 -10.059 -3.914 1.00 0.00 N ATOM 870 CA THR A 55 -7.628 -9.726 -2.952 1.00 0.00 C ATOM 871 C THR A 55 -7.040 -9.636 -1.543 1.00 0.00 C ATOM 872 O THR A 55 -6.151 -10.408 -1.186 1.00 0.00 O ATOM 873 CB THR A 55 -8.741 -10.768 -3.081 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.049 -11.988 -3.329 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.594 -10.561 -4.334 1.00 0.00 C ATOM 0 H THR A 55 -6.356 -11.050 -3.963 1.00 0.00 H new ATOM 0 HA THR A 55 -8.056 -8.744 -3.154 1.00 0.00 H new ATOM 0 HB THR A 55 -9.378 -10.729 -2.198 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.696 -12.718 -3.424 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.369 -11.327 -4.377 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.059 -9.576 -4.299 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.963 -10.633 -5.220 1.00 0.00 H new ATOM 883 N LEU A 56 -7.560 -8.687 -0.780 1.00 0.00 N ATOM 884 CA LEU A 56 -7.097 -8.485 0.584 1.00 0.00 C ATOM 885 C LEU A 56 -7.197 -9.805 1.352 1.00 0.00 C ATOM 886 O LEU A 56 -6.310 -10.139 2.136 1.00 0.00 O ATOM 887 CB LEU A 56 -7.858 -7.333 1.242 1.00 0.00 C ATOM 888 CG LEU A 56 -7.753 -5.974 0.545 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.945 -5.083 0.898 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.418 -5.298 0.861 1.00 0.00 C ATOM 0 H LEU A 56 -8.297 -8.049 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.048 -8.190 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.911 -7.607 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.498 -7.223 2.265 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.783 -6.139 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.845 -4.124 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.868 -5.568 0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.972 -4.921 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.369 -4.335 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.333 -5.146 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.600 -5.931 0.518 1.00 0.00 H new ATOM 902 N SER A 57 -8.282 -10.520 1.098 1.00 0.00 N ATOM 903 CA SER A 57 -8.509 -11.796 1.756 1.00 0.00 C ATOM 904 C SER A 57 -7.416 -12.790 1.358 1.00 0.00 C ATOM 905 O SER A 57 -7.007 -13.623 2.165 1.00 0.00 O ATOM 906 CB SER A 57 -9.889 -12.357 1.410 1.00 0.00 C ATOM 907 OG SER A 57 -10.219 -13.492 2.205 1.00 0.00 O ATOM 0 H SER A 57 -9.014 -10.241 0.445 1.00 0.00 H new ATOM 0 HA SER A 57 -8.472 -11.637 2.834 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.642 -11.582 1.554 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.914 -12.633 0.356 1.00 0.00 H new ATOM 0 HG SER A 57 -11.108 -13.819 1.955 1.00 0.00 H new ATOM 913 N ASP A 58 -6.976 -12.671 0.114 1.00 0.00 N ATOM 914 CA ASP A 58 -5.940 -13.549 -0.401 1.00 0.00 C ATOM 915 C ASP A 58 -4.669 -13.374 0.433 1.00 0.00 C ATOM 916 O ASP A 58 -3.818 -14.261 0.467 1.00 0.00 O ATOM 917 CB ASP A 58 -5.602 -13.210 -1.853 1.00 0.00 C ATOM 918 CG ASP A 58 -5.787 -14.360 -2.846 1.00 0.00 C ATOM 919 OD1 ASP A 58 -5.120 -15.397 -2.644 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.593 -14.175 -3.784 1.00 0.00 O ATOM 0 H ASP A 58 -7.319 -11.979 -0.553 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.308 -14.573 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.225 -12.373 -2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.567 -12.872 -1.900 1.00 0.00 H new ATOM 925 N TYR A 59 -4.581 -12.223 1.085 1.00 0.00 N ATOM 926 CA TYR A 59 -3.428 -11.921 1.916 1.00 0.00 C ATOM 927 C TYR A 59 -3.744 -12.148 3.396 1.00 0.00 C ATOM 928 O TYR A 59 -2.871 -12.003 4.250 1.00 0.00 O ATOM 929 CB TYR A 59 -3.125 -10.438 1.694 1.00 0.00 C ATOM 930 CG TYR A 59 -2.626 -10.110 0.284 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.443 -10.653 -0.173 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.359 -9.269 -0.528 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.974 -10.344 -1.499 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.890 -8.960 -1.854 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.720 -9.513 -2.274 1.00 0.00 C ATOM 936 OH TYR A 59 -1.277 -9.221 -3.526 1.00 0.00 O ATOM 0 H TYR A 59 -5.289 -11.489 1.054 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.588 -12.564 1.654 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.027 -9.859 1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.375 -10.118 2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.869 -11.310 0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.284 -8.843 -0.169 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.050 -10.763 -1.869 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.454 -8.304 -2.500 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.574 -9.855 -3.780 1.00 0.00 H new ATOM 946 N ASN A 60 -4.995 -12.501 3.653 1.00 0.00 N ATOM 947 CA ASN A 60 -5.437 -12.750 5.015 1.00 0.00 C ATOM 948 C ASN A 60 -5.118 -11.530 5.880 1.00 0.00 C ATOM 949 O ASN A 60 -4.413 -11.643 6.883 1.00 0.00 O ATOM 950 CB ASN A 60 -4.716 -13.959 5.616 1.00 0.00 C ATOM 951 CG ASN A 60 -4.413 -15.005 4.543 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.222 -15.299 3.679 1.00 0.00 O ATOM 953 ND2 ASN A 60 -3.204 -15.552 4.646 1.00 0.00 N ATOM 0 H ASN A 60 -5.716 -12.620 2.942 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.509 -12.945 4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.787 -13.636 6.087 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.332 -14.403 6.398 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.907 -16.263 3.977 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.574 -15.261 5.394 1.00 0.00 H new ATOM 960 N ILE A 61 -5.653 -10.392 5.464 1.00 0.00 N ATOM 961 CA ILE A 61 -5.434 -9.152 6.188 1.00 0.00 C ATOM 962 C ILE A 61 -6.357 -9.110 7.409 1.00 0.00 C ATOM 963 O ILE A 61 -7.512 -9.523 7.332 1.00 0.00 O ATOM 964 CB ILE A 61 -5.594 -7.950 5.255 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.328 -7.727 4.426 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.995 -6.698 6.038 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.672 -7.198 3.032 1.00 0.00 C ATOM 0 H ILE A 61 -6.238 -10.303 4.634 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.410 -9.103 6.559 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.402 -8.165 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.675 -7.019 4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.777 -8.663 4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.102 -5.858 5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.943 -6.875 6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.226 -6.468 6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.754 -7.048 2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.306 -7.919 2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.201 -6.250 3.123 1.00 0.00 H new ATOM 979 N GLN A 62 -5.810 -8.608 8.507 1.00 0.00 N ATOM 980 CA GLN A 62 -6.570 -8.507 9.741 1.00 0.00 C ATOM 981 C GLN A 62 -7.185 -7.113 9.873 1.00 0.00 C ATOM 982 O GLN A 62 -6.668 -6.146 9.316 1.00 0.00 O ATOM 983 CB GLN A 62 -5.693 -8.837 10.952 1.00 0.00 C ATOM 984 CG GLN A 62 -4.708 -9.960 10.626 1.00 0.00 C ATOM 985 CD GLN A 62 -5.428 -11.306 10.517 1.00 0.00 C ATOM 986 OE1 GLN A 62 -6.260 -11.526 9.652 1.00 0.00 O ATOM 987 NE2 GLN A 62 -5.062 -12.190 11.440 1.00 0.00 N ATOM 0 H GLN A 62 -4.850 -8.267 8.567 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.379 -9.237 9.709 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.145 -7.947 11.262 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.322 -9.133 11.791 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.197 -9.740 9.689 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.943 -10.014 11.401 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.359 -11.940 12.135 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.484 -13.118 11.453 1.00 0.00 H new ATOM 996 N LYS A 63 -8.282 -7.053 10.614 1.00 0.00 N ATOM 997 CA LYS A 63 -8.974 -5.793 10.826 1.00 0.00 C ATOM 998 C LYS A 63 -7.969 -4.734 11.282 1.00 0.00 C ATOM 999 O LYS A 63 -7.194 -4.966 12.209 1.00 0.00 O ATOM 1000 CB LYS A 63 -10.148 -5.982 11.790 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.724 -6.789 13.018 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.258 -8.220 12.944 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.243 -9.215 13.512 1.00 0.00 C ATOM 1004 NZ LYS A 63 -9.626 -10.602 13.166 1.00 0.00 N ATOM 0 H LYS A 63 -8.709 -7.857 11.075 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.411 -5.437 9.893 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.527 -5.009 12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.964 -6.492 11.279 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.636 -6.806 13.089 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.095 -6.305 13.922 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.193 -8.292 13.499 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.482 -8.475 11.908 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.251 -8.996 13.117 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.186 -9.107 14.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.927 -11.264 13.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.564 -10.813 13.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.657 -10.706 12.132 1.00 0.00 H new ATOM 1018 N GLU A 64 -8.013 -3.593 10.609 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.115 -2.498 10.934 1.00 0.00 C ATOM 1020 C GLU A 64 -5.661 -2.971 10.883 1.00 0.00 C ATOM 1021 O GLU A 64 -4.903 -2.758 11.828 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.450 -1.901 12.301 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.954 -1.651 12.436 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.579 -2.602 13.460 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.159 -3.779 13.469 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.461 -2.129 14.209 1.00 0.00 O ATOM 0 H GLU A 64 -8.656 -3.404 9.840 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.247 -1.713 10.190 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.118 -2.577 13.089 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.908 -0.965 12.436 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.129 -0.619 12.739 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.437 -1.785 11.468 1.00 0.00 H new ATOM 1033 N SER A 65 -5.315 -3.603 9.771 1.00 0.00 N ATOM 1034 CA SER A 65 -3.966 -4.109 9.586 1.00 0.00 C ATOM 1035 C SER A 65 -3.008 -2.949 9.307 1.00 0.00 C ATOM 1036 O SER A 65 -3.442 -1.822 9.074 1.00 0.00 O ATOM 1037 CB SER A 65 -3.911 -5.128 8.448 1.00 0.00 C ATOM 1038 OG SER A 65 -4.318 -6.426 8.872 1.00 0.00 O ATOM 0 H SER A 65 -5.946 -3.776 8.989 1.00 0.00 H new ATOM 0 HA SER A 65 -3.660 -4.613 10.503 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.553 -4.795 7.632 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.896 -5.177 8.054 1.00 0.00 H new ATOM 0 HG SER A 65 -5.063 -6.345 9.504 1.00 0.00 H new ATOM 1044 N THR A 66 -1.721 -3.266 9.341 1.00 0.00 N ATOM 1045 CA THR A 66 -0.697 -2.264 9.095 1.00 0.00 C ATOM 1046 C THR A 66 -0.104 -2.442 7.696 1.00 0.00 C ATOM 1047 O THR A 66 0.694 -3.349 7.467 1.00 0.00 O ATOM 1048 CB THR A 66 0.342 -2.365 10.212 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.238 -1.637 11.292 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.625 -1.596 9.891 1.00 0.00 C ATOM 0 H THR A 66 -1.365 -4.202 9.535 1.00 0.00 H new ATOM 0 HA THR A 66 -1.116 -1.258 9.112 1.00 0.00 H new ATOM 0 HB THR A 66 0.583 -3.413 10.390 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.370 -1.653 12.061 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.328 -1.701 10.717 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.071 -1.997 8.981 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.391 -0.541 9.746 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.516 -1.559 6.797 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.035 -1.607 5.427 1.00 0.00 C ATOM 1060 C LEU A 67 0.912 -0.430 5.182 1.00 0.00 C ATOM 1061 O LEU A 67 0.763 0.628 5.791 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.210 -1.665 4.448 1.00 0.00 C ATOM 1063 CG LEU A 67 -1.924 -3.013 4.337 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.839 -3.249 5.540 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.680 -3.125 3.012 1.00 0.00 C ATOM 0 H LEU A 67 -1.177 -0.807 6.991 1.00 0.00 H new ATOM 0 HA LEU A 67 0.538 -2.519 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.941 -0.912 4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.847 -1.386 3.459 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.171 -3.801 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.335 -4.214 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.246 -3.242 6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.589 -2.459 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.179 -4.093 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.423 -2.330 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.978 -3.032 2.183 1.00 0.00 H new ATOM 1077 N HIS A 68 1.865 -0.654 4.289 1.00 0.00 N ATOM 1078 CA HIS A 68 2.836 0.374 3.957 1.00 0.00 C ATOM 1079 C HIS A 68 2.535 0.933 2.565 1.00 0.00 C ATOM 1080 O HIS A 68 2.686 0.234 1.564 1.00 0.00 O ATOM 1081 CB HIS A 68 4.263 -0.164 4.083 1.00 0.00 C ATOM 1082 CG HIS A 68 5.145 0.646 5.003 1.00 0.00 C ATOM 1083 ND1 HIS A 68 6.345 0.170 5.501 1.00 0.00 N ATOM 1084 CD2 HIS A 68 4.990 1.903 5.508 1.00 0.00 C ATOM 1085 CE1 HIS A 68 6.879 1.106 6.271 1.00 0.00 C ATOM 1086 NE2 HIS A 68 6.038 2.180 6.274 1.00 0.00 N ATOM 0 H HIS A 68 1.985 -1.533 3.785 1.00 0.00 H new ATOM 0 HA HIS A 68 2.756 1.197 4.667 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.223 -1.191 4.446 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.718 -0.194 3.093 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.156 2.562 5.317 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.816 1.032 6.803 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.189 3.052 6.781 1.00 0.00 H new ATOM 1094 N LEU A 69 2.112 2.190 2.545 1.00 0.00 N ATOM 1095 CA LEU A 69 1.788 2.851 1.292 1.00 0.00 C ATOM 1096 C LEU A 69 2.968 3.723 0.862 1.00 0.00 C ATOM 1097 O LEU A 69 3.092 4.866 1.299 1.00 0.00 O ATOM 1098 CB LEU A 69 0.470 3.617 1.417 1.00 0.00 C ATOM 1099 CG LEU A 69 0.290 4.801 0.465 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.477 4.368 -0.990 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -1.060 5.485 0.690 1.00 0.00 C ATOM 0 H LEU A 69 1.986 2.767 3.377 1.00 0.00 H new ATOM 0 HA LEU A 69 1.629 2.117 0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.350 2.918 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.380 3.982 2.440 1.00 0.00 H new ATOM 0 HG LEU A 69 1.064 5.536 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.344 5.228 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.480 3.962 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.259 3.604 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.163 6.323 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.864 4.770 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.117 5.850 1.716 1.00 0.00 H new ATOM 1113 N VAL A 70 3.805 3.152 0.008 1.00 0.00 N ATOM 1114 CA VAL A 70 4.972 3.863 -0.487 1.00 0.00 C ATOM 1115 C VAL A 70 4.816 4.105 -1.990 1.00 0.00 C ATOM 1116 O VAL A 70 3.945 3.517 -2.630 1.00 0.00 O ATOM 1117 CB VAL A 70 6.244 3.091 -0.135 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.484 3.791 -0.697 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.365 2.894 1.377 1.00 0.00 C ATOM 0 H VAL A 70 3.698 2.204 -0.354 1.00 0.00 H new ATOM 0 HA VAL A 70 5.057 4.838 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 70 6.176 2.106 -0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.375 3.221 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.404 3.857 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.557 4.794 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.278 2.342 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.399 3.866 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.504 2.333 1.741 1.00 0.00 H new