USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 392 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 GLY N :NH3+ 132:sc= 0.0129 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -120:sc= -0.387! USER MOD Single : A 15 SER OG : rot -123:sc= -0.335 USER MOD Single : A 16 GLN : amide:sc= -16.2! C(o=-16!,f=-21!) USER MOD Single : A 17 MET CE :methyl 146:sc= -3.15 (180deg=-4.49!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -146:sc= -0.311 (180deg=-0.839) USER MOD Single : A 23 SER OG : rot -3:sc= -1.58 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -2.3! C(o=-2.3!,f=-3.2!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.048 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.9! C(o=-2.7!,f=-1.9!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 113:sc= -1.14! USER MOD Single : A 48 GLN :FLIP amide:sc= 0.0432 F(o=-1.8,f=0.043) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 49:sc= 0.214 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.128 -17.638 5.913 1.00 0.00 N ATOM 2 CA GLY A 1 29.900 -17.337 4.676 1.00 0.00 C ATOM 3 C GLY A 1 29.743 -15.897 4.227 1.00 0.00 C ATOM 4 O GLY A 1 28.678 -15.302 4.390 1.00 0.00 O ATOM 0 H1 GLY A 1 28.588 -18.517 5.780 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.784 -17.752 6.712 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.473 -16.856 6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.955 -17.546 4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.571 -18.001 3.876 1.00 0.00 H new ATOM 10 N SER A 2 30.807 -15.336 3.661 1.00 0.00 N ATOM 11 CA SER A 2 30.783 -13.957 3.187 1.00 0.00 C ATOM 12 C SER A 2 31.152 -13.885 1.708 1.00 0.00 C ATOM 13 O SER A 2 32.310 -14.076 1.336 1.00 0.00 O ATOM 14 CB SER A 2 31.747 -13.097 4.008 1.00 0.00 C ATOM 15 OG SER A 2 32.880 -13.847 4.413 1.00 0.00 O ATOM 0 H SER A 2 31.696 -15.815 3.520 1.00 0.00 H new ATOM 0 HA SER A 2 29.770 -13.573 3.310 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.067 -12.239 3.417 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.233 -12.706 4.886 1.00 0.00 H new ATOM 0 HG SER A 2 33.481 -13.275 4.934 1.00 0.00 H new ATOM 21 N PRO A 3 30.163 -13.610 0.844 1.00 0.00 N ATOM 22 CA PRO A 3 30.360 -13.514 -0.591 1.00 0.00 C ATOM 23 C PRO A 3 30.614 -12.082 -1.046 1.00 0.00 C ATOM 24 O PRO A 3 30.165 -11.129 -0.409 1.00 0.00 O ATOM 25 CB PRO A 3 29.025 -14.017 -1.135 1.00 0.00 C ATOM 26 CG PRO A 3 28.009 -13.675 -0.082 1.00 0.00 C ATOM 27 CD PRO A 3 28.759 -13.375 1.200 1.00 0.00 C ATOM 0 HA PRO A 3 31.229 -14.075 -0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 3 28.783 -13.539 -2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 3 29.055 -15.091 -1.317 1.00 0.00 H new ATOM 0 HG2 PRO A 3 27.415 -12.814 -0.388 1.00 0.00 H new ATOM 0 HG3 PRO A 3 27.316 -14.504 0.065 1.00 0.00 H new ATOM 0 HD2 PRO A 3 28.596 -12.349 1.529 1.00 0.00 H new ATOM 0 HD3 PRO A 3 28.438 -14.025 2.014 1.00 0.00 H new ATOM 35 N PRO A 4 31.334 -11.913 -2.165 1.00 0.00 N ATOM 36 CA PRO A 4 31.641 -10.589 -2.714 1.00 0.00 C ATOM 37 C PRO A 4 30.383 -9.858 -3.171 1.00 0.00 C ATOM 38 O PRO A 4 30.262 -9.471 -4.333 1.00 0.00 O ATOM 39 CB PRO A 4 32.553 -10.892 -3.907 1.00 0.00 C ATOM 40 CG PRO A 4 32.266 -12.310 -4.266 1.00 0.00 C ATOM 41 CD PRO A 4 31.893 -12.999 -2.983 1.00 0.00 C ATOM 0 HA PRO A 4 32.103 -9.935 -1.974 1.00 0.00 H new ATOM 0 HB2 PRO A 4 32.344 -10.224 -4.743 1.00 0.00 H new ATOM 0 HB3 PRO A 4 33.602 -10.756 -3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 4 31.455 -12.372 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 4 33.137 -12.780 -4.722 1.00 0.00 H new ATOM 0 HD2 PRO A 4 31.165 -13.793 -3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 4 32.759 -13.457 -2.506 1.00 0.00 H new ATOM 49 N GLU A 5 29.446 -9.681 -2.243 1.00 0.00 N ATOM 50 CA GLU A 5 28.188 -9.007 -2.536 1.00 0.00 C ATOM 51 C GLU A 5 27.807 -8.063 -1.402 1.00 0.00 C ATOM 52 O GLU A 5 26.656 -8.040 -0.966 1.00 0.00 O ATOM 53 CB GLU A 5 27.076 -10.035 -2.750 1.00 0.00 C ATOM 54 CG GLU A 5 27.301 -10.935 -3.953 1.00 0.00 C ATOM 55 CD GLU A 5 26.016 -11.553 -4.466 1.00 0.00 C ATOM 56 OE1 GLU A 5 25.026 -11.583 -3.706 1.00 0.00 O ATOM 57 OE2 GLU A 5 25.998 -12.008 -5.630 1.00 0.00 O ATOM 0 H GLU A 5 29.537 -9.997 -1.278 1.00 0.00 H new ATOM 0 HA GLU A 5 28.317 -8.424 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 5 26.987 -10.653 -1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 5 26.128 -9.512 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 5 27.767 -10.358 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 5 27.999 -11.728 -3.684 1.00 0.00 H new ATOM 64 N ALA A 6 28.787 -7.299 -0.925 1.00 0.00 N ATOM 65 CA ALA A 6 28.577 -6.354 0.167 1.00 0.00 C ATOM 66 C ALA A 6 28.923 -6.994 1.503 1.00 0.00 C ATOM 67 O ALA A 6 28.044 -7.325 2.298 1.00 0.00 O ATOM 68 CB ALA A 6 27.145 -5.836 0.175 1.00 0.00 C ATOM 0 H ALA A 6 29.742 -7.317 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 6 29.241 -5.504 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 6 27.017 -5.134 0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 6 26.935 -5.331 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 6 26.456 -6.672 0.300 1.00 0.00 H new ATOM 74 N ASP A 7 30.217 -7.156 1.740 1.00 0.00 N ATOM 75 CA ASP A 7 30.708 -7.746 2.973 1.00 0.00 C ATOM 76 C ASP A 7 31.350 -6.674 3.831 1.00 0.00 C ATOM 77 O ASP A 7 31.826 -5.665 3.311 1.00 0.00 O ATOM 78 CB ASP A 7 31.717 -8.857 2.676 1.00 0.00 C ATOM 79 CG ASP A 7 31.192 -9.860 1.669 1.00 0.00 C ATOM 80 OD1 ASP A 7 29.998 -10.216 1.755 1.00 0.00 O ATOM 81 OD2 ASP A 7 31.975 -10.290 0.796 1.00 0.00 O ATOM 0 H ASP A 7 30.951 -6.883 1.086 1.00 0.00 H new ATOM 0 HA ASP A 7 29.867 -8.183 3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 7 32.639 -8.415 2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 7 31.968 -9.374 3.602 1.00 0.00 H new ATOM 86 N PRO A 8 31.379 -6.873 5.152 1.00 0.00 N ATOM 87 CA PRO A 8 31.978 -5.921 6.068 1.00 0.00 C ATOM 88 C PRO A 8 33.143 -5.186 5.419 1.00 0.00 C ATOM 89 O PRO A 8 33.197 -3.966 5.425 1.00 0.00 O ATOM 90 CB PRO A 8 32.449 -6.822 7.203 1.00 0.00 C ATOM 91 CG PRO A 8 31.446 -7.932 7.247 1.00 0.00 C ATOM 92 CD PRO A 8 30.850 -8.049 5.859 1.00 0.00 C ATOM 0 HA PRO A 8 31.297 -5.133 6.390 1.00 0.00 H new ATOM 0 HB2 PRO A 8 33.453 -7.203 7.016 1.00 0.00 H new ATOM 0 HB3 PRO A 8 32.484 -6.282 8.149 1.00 0.00 H new ATOM 0 HG2 PRO A 8 31.920 -8.868 7.543 1.00 0.00 H new ATOM 0 HG3 PRO A 8 30.670 -7.721 7.983 1.00 0.00 H new ATOM 0 HD2 PRO A 8 31.149 -8.977 5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 8 29.760 -8.041 5.889 1.00 0.00 H new ATOM 100 N ARG A 9 34.068 -5.948 4.852 1.00 0.00 N ATOM 101 CA ARG A 9 35.237 -5.381 4.186 1.00 0.00 C ATOM 102 C ARG A 9 34.846 -4.346 3.129 1.00 0.00 C ATOM 103 O ARG A 9 35.391 -3.247 3.089 1.00 0.00 O ATOM 104 CB ARG A 9 36.037 -6.505 3.525 1.00 0.00 C ATOM 105 CG ARG A 9 36.454 -7.601 4.492 1.00 0.00 C ATOM 106 CD ARG A 9 36.038 -8.974 3.989 1.00 0.00 C ATOM 107 NE ARG A 9 36.806 -10.043 4.621 1.00 0.00 N ATOM 108 CZ ARG A 9 36.645 -11.330 4.335 1.00 0.00 C ATOM 109 NH1 ARG A 9 35.741 -11.704 3.442 1.00 0.00 N ATOM 110 NH2 ARG A 9 37.385 -12.244 4.947 1.00 0.00 N ATOM 0 H ARG A 9 34.032 -6.967 4.839 1.00 0.00 H new ATOM 0 HA ARG A 9 35.840 -4.876 4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 9 35.440 -6.944 2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 9 36.928 -6.082 3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.535 -7.575 4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 9 36.004 -7.418 5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 9 34.976 -9.126 4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 9 36.173 -9.021 2.908 1.00 0.00 H new ATOM 0 HE ARG A 9 37.504 -9.788 5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 9 35.167 -11.003 2.973 1.00 0.00 H new ATOM 0 HH12 ARG A 9 35.619 -12.693 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 9 38.079 -11.959 5.638 1.00 0.00 H new ATOM 0 HH22 ARG A 9 37.261 -13.232 4.727 1.00 0.00 H new ATOM 124 N LEU A 10 33.926 -4.729 2.258 1.00 0.00 N ATOM 125 CA LEU A 10 33.481 -3.860 1.177 1.00 0.00 C ATOM 126 C LEU A 10 32.423 -2.866 1.655 1.00 0.00 C ATOM 127 O LEU A 10 32.352 -1.739 1.176 1.00 0.00 O ATOM 128 CB LEU A 10 32.973 -4.700 0.005 1.00 0.00 C ATOM 129 CG LEU A 10 34.060 -5.515 -0.709 1.00 0.00 C ATOM 130 CD1 LEU A 10 34.844 -4.638 -1.672 1.00 0.00 C ATOM 131 CD2 LEU A 10 35.004 -6.155 0.300 1.00 0.00 C ATOM 0 H LEU A 10 33.470 -5.641 2.278 1.00 0.00 H new ATOM 0 HA LEU A 10 34.333 -3.273 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 10 32.205 -5.382 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 10 32.496 -4.040 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 10 33.569 -6.305 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 10 35.609 -5.235 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 10 34.168 -4.223 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 10 35.318 -3.826 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 10 35.767 -6.728 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 10 35.482 -5.377 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 10 34.440 -6.819 0.955 1.00 0.00 H new ATOM 143 N ILE A 11 31.627 -3.257 2.632 1.00 0.00 N ATOM 144 CA ILE A 11 30.630 -2.345 3.168 1.00 0.00 C ATOM 145 C ILE A 11 31.300 -1.380 4.137 1.00 0.00 C ATOM 146 O ILE A 11 30.841 -0.258 4.354 1.00 0.00 O ATOM 147 CB ILE A 11 29.484 -3.089 3.879 1.00 0.00 C ATOM 148 CG1 ILE A 11 28.752 -4.001 2.892 1.00 0.00 C ATOM 149 CG2 ILE A 11 28.518 -2.098 4.511 1.00 0.00 C ATOM 150 CD1 ILE A 11 27.434 -4.524 3.417 1.00 0.00 C ATOM 0 H ILE A 11 31.648 -4.180 3.065 1.00 0.00 H new ATOM 0 HA ILE A 11 30.192 -1.799 2.332 1.00 0.00 H new ATOM 0 HB ILE A 11 29.907 -3.706 4.671 1.00 0.00 H new ATOM 0 HG12 ILE A 11 28.574 -3.453 1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 11 29.396 -4.845 2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 11 27.714 -2.640 5.009 1.00 0.00 H new ATOM 0 HG22 ILE A 11 29.049 -1.486 5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 11 28.097 -1.456 3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 11 26.971 -5.163 2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 11 27.607 -5.100 4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 11 26.773 -3.686 3.639 1.00 0.00 H new ATOM 162 N GLU A 12 32.417 -1.837 4.682 1.00 0.00 N ATOM 163 CA GLU A 12 33.216 -1.038 5.603 1.00 0.00 C ATOM 164 C GLU A 12 34.361 -0.356 4.866 1.00 0.00 C ATOM 165 O GLU A 12 34.487 0.868 4.879 1.00 0.00 O ATOM 166 CB GLU A 12 33.769 -1.898 6.742 1.00 0.00 C ATOM 167 CG GLU A 12 34.409 -1.091 7.860 1.00 0.00 C ATOM 168 CD GLU A 12 33.913 -1.501 9.233 1.00 0.00 C ATOM 169 OE1 GLU A 12 33.723 -2.715 9.457 1.00 0.00 O ATOM 170 OE2 GLU A 12 33.716 -0.609 10.083 1.00 0.00 O ATOM 0 H GLU A 12 32.795 -2.767 4.501 1.00 0.00 H new ATOM 0 HA GLU A 12 32.565 -0.275 6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 12 32.960 -2.500 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 12 34.507 -2.591 6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 12 35.491 -1.213 7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 12 34.201 -0.032 7.704 1.00 0.00 H new ATOM 177 N SER A 13 35.217 -1.171 4.256 1.00 0.00 N ATOM 178 CA SER A 13 36.391 -0.678 3.543 1.00 0.00 C ATOM 179 C SER A 13 36.086 -0.167 2.128 1.00 0.00 C ATOM 180 O SER A 13 36.626 0.863 1.723 1.00 0.00 O ATOM 181 CB SER A 13 37.454 -1.776 3.470 1.00 0.00 C ATOM 182 OG SER A 13 37.233 -2.767 4.458 1.00 0.00 O ATOM 0 H SER A 13 35.117 -2.186 4.242 1.00 0.00 H new ATOM 0 HA SER A 13 36.756 0.177 4.112 1.00 0.00 H new ATOM 0 HB2 SER A 13 37.440 -2.235 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.443 -1.338 3.605 1.00 0.00 H new ATOM 0 HG SER A 13 38.009 -2.813 5.055 1.00 0.00 H new ATOM 188 N LEU A 14 35.249 -0.872 1.363 1.00 0.00 N ATOM 189 CA LEU A 14 34.955 -0.424 0.000 1.00 0.00 C ATOM 190 C LEU A 14 34.043 0.788 0.032 1.00 0.00 C ATOM 191 O LEU A 14 34.461 1.886 -0.334 1.00 0.00 O ATOM 192 CB LEU A 14 34.360 -1.542 -0.866 1.00 0.00 C ATOM 193 CG LEU A 14 34.044 -1.134 -2.307 1.00 0.00 C ATOM 194 CD1 LEU A 14 35.170 -1.554 -3.240 1.00 0.00 C ATOM 195 CD2 LEU A 14 32.723 -1.741 -2.756 1.00 0.00 C ATOM 0 H LEU A 14 34.776 -1.728 1.651 1.00 0.00 H new ATOM 0 HA LEU A 14 35.900 -0.141 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.058 -2.379 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 14 33.445 -1.900 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 14 33.954 -0.048 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 14 34.928 -1.256 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 14 36.097 -1.071 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 14 35.293 -2.636 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 14 32.515 -1.440 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 14 32.785 -2.828 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 14 31.922 -1.390 -2.106 1.00 0.00 H new ATOM 207 N SER A 15 32.809 0.609 0.494 1.00 0.00 N ATOM 208 CA SER A 15 31.886 1.733 0.592 1.00 0.00 C ATOM 209 C SER A 15 32.652 2.930 1.128 1.00 0.00 C ATOM 210 O SER A 15 32.801 3.941 0.445 1.00 0.00 O ATOM 211 CB SER A 15 30.707 1.395 1.510 1.00 0.00 C ATOM 212 OG SER A 15 30.696 2.229 2.655 1.00 0.00 O ATOM 0 H SER A 15 32.431 -0.287 0.801 1.00 0.00 H new ATOM 0 HA SER A 15 31.477 1.960 -0.392 1.00 0.00 H new ATOM 0 HB2 SER A 15 29.771 1.511 0.963 1.00 0.00 H new ATOM 0 HB3 SER A 15 30.769 0.351 1.817 1.00 0.00 H new ATOM 0 HG SER A 15 30.720 1.675 3.463 1.00 0.00 H new ATOM 218 N GLN A 16 33.163 2.792 2.349 1.00 0.00 N ATOM 219 CA GLN A 16 33.954 3.849 2.965 1.00 0.00 C ATOM 220 C GLN A 16 34.815 4.514 1.904 1.00 0.00 C ATOM 221 O GLN A 16 34.981 5.732 1.893 1.00 0.00 O ATOM 222 CB GLN A 16 34.853 3.275 4.067 1.00 0.00 C ATOM 223 CG GLN A 16 35.918 4.245 4.570 1.00 0.00 C ATOM 224 CD GLN A 16 36.989 4.546 3.533 1.00 0.00 C ATOM 225 OE1 GLN A 16 37.195 3.774 2.596 1.00 0.00 O ATOM 226 NE2 GLN A 16 37.672 5.674 3.689 1.00 0.00 N ATOM 0 H GLN A 16 33.043 1.961 2.928 1.00 0.00 H new ATOM 0 HA GLN A 16 33.280 4.581 3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 16 34.230 2.969 4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 16 35.343 2.377 3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 16 35.439 5.177 4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 16 36.389 3.828 5.460 1.00 0.00 H new ATOM 0 HE21 GLN A 16 37.471 6.287 4.479 1.00 0.00 H new ATOM 0 HE22 GLN A 16 38.398 5.928 3.019 1.00 0.00 H new ATOM 235 N MET A 17 35.356 3.694 1.007 1.00 0.00 N ATOM 236 CA MET A 17 36.196 4.191 -0.067 1.00 0.00 C ATOM 237 C MET A 17 35.417 5.169 -0.922 1.00 0.00 C ATOM 238 O MET A 17 35.892 6.267 -1.212 1.00 0.00 O ATOM 239 CB MET A 17 36.721 3.040 -0.926 1.00 0.00 C ATOM 240 CG MET A 17 38.181 3.199 -1.314 1.00 0.00 C ATOM 241 SD MET A 17 39.270 3.316 0.119 1.00 0.00 S ATOM 242 CE MET A 17 40.532 4.429 -0.499 1.00 0.00 C ATOM 0 H MET A 17 35.225 2.682 1.007 1.00 0.00 H new ATOM 0 HA MET A 17 37.051 4.704 0.373 1.00 0.00 H new ATOM 0 HB2 MET A 17 36.596 2.104 -0.382 1.00 0.00 H new ATOM 0 HB3 MET A 17 36.118 2.966 -1.831 1.00 0.00 H new ATOM 0 HG2 MET A 17 38.484 2.351 -1.928 1.00 0.00 H new ATOM 0 HG3 MET A 17 38.295 4.093 -1.927 1.00 0.00 H new ATOM 0 HE1 MET A 17 40.893 5.057 0.315 1.00 0.00 H new ATOM 0 HE2 MET A 17 41.361 3.849 -0.905 1.00 0.00 H new ATOM 0 HE3 MET A 17 40.110 5.058 -1.283 1.00 0.00 H new ATOM 252 N LEU A 18 34.205 4.783 -1.312 1.00 0.00 N ATOM 253 CA LEU A 18 33.366 5.661 -2.118 1.00 0.00 C ATOM 254 C LEU A 18 32.648 6.663 -1.218 1.00 0.00 C ATOM 255 O LEU A 18 32.756 7.875 -1.407 1.00 0.00 O ATOM 256 CB LEU A 18 32.353 4.844 -2.920 1.00 0.00 C ATOM 257 CG LEU A 18 32.953 3.726 -3.778 1.00 0.00 C ATOM 258 CD1 LEU A 18 32.019 3.377 -4.925 1.00 0.00 C ATOM 259 CD2 LEU A 18 34.322 4.133 -4.306 1.00 0.00 C ATOM 0 H LEU A 18 33.787 3.880 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 18 33.998 6.206 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 18 31.635 4.404 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.797 5.520 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 18 33.077 2.841 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 18 32.461 2.581 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 18 31.062 3.042 -4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 18 31.864 4.257 -5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.732 3.326 -4.913 1.00 0.00 H new ATOM 0 HD22 LEU A 18 34.225 5.032 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 18 34.990 4.333 -3.468 1.00 0.00 H new ATOM 271 N SER A 19 31.915 6.144 -0.236 1.00 0.00 N ATOM 272 CA SER A 19 31.173 6.981 0.705 1.00 0.00 C ATOM 273 C SER A 19 32.032 8.127 1.248 1.00 0.00 C ATOM 274 O SER A 19 31.506 9.124 1.740 1.00 0.00 O ATOM 275 CB SER A 19 30.648 6.130 1.863 1.00 0.00 C ATOM 276 OG SER A 19 30.229 6.942 2.947 1.00 0.00 O ATOM 0 H SER A 19 31.818 5.142 -0.070 1.00 0.00 H new ATOM 0 HA SER A 19 30.335 7.421 0.165 1.00 0.00 H new ATOM 0 HB2 SER A 19 29.814 5.519 1.519 1.00 0.00 H new ATOM 0 HB3 SER A 19 31.428 5.446 2.198 1.00 0.00 H new ATOM 0 HG SER A 19 29.897 6.373 3.673 1.00 0.00 H new ATOM 282 N MET A 20 33.353 7.990 1.140 1.00 0.00 N ATOM 283 CA MET A 20 34.267 9.029 1.608 1.00 0.00 C ATOM 284 C MET A 20 34.482 10.069 0.518 1.00 0.00 C ATOM 285 O MET A 20 34.712 11.247 0.798 1.00 0.00 O ATOM 286 CB MET A 20 35.616 8.421 2.002 1.00 0.00 C ATOM 287 CG MET A 20 35.688 7.955 3.446 1.00 0.00 C ATOM 288 SD MET A 20 35.070 9.185 4.610 1.00 0.00 S ATOM 289 CE MET A 20 33.422 8.555 4.922 1.00 0.00 C ATOM 0 H MET A 20 33.812 7.174 0.735 1.00 0.00 H new ATOM 0 HA MET A 20 33.822 9.505 2.482 1.00 0.00 H new ATOM 0 HB2 MET A 20 35.826 7.575 1.348 1.00 0.00 H new ATOM 0 HB3 MET A 20 36.399 9.159 1.830 1.00 0.00 H new ATOM 0 HG2 MET A 20 35.112 7.036 3.555 1.00 0.00 H new ATOM 0 HG3 MET A 20 36.722 7.714 3.694 1.00 0.00 H new ATOM 0 HE1 MET A 20 32.738 9.389 5.079 1.00 0.00 H new ATOM 0 HE2 MET A 20 33.089 7.968 4.066 1.00 0.00 H new ATOM 0 HE3 MET A 20 33.436 7.924 5.811 1.00 0.00 H new ATOM 299 N GLY A 21 34.418 9.614 -0.725 1.00 0.00 N ATOM 300 CA GLY A 21 34.620 10.496 -1.854 1.00 0.00 C ATOM 301 C GLY A 21 35.910 10.181 -2.576 1.00 0.00 C ATOM 302 O GLY A 21 36.459 11.024 -3.286 1.00 0.00 O ATOM 0 H GLY A 21 34.228 8.643 -0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 21 33.782 10.403 -2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 21 34.636 11.531 -1.511 1.00 0.00 H new ATOM 306 N PHE A 22 36.397 8.957 -2.390 1.00 0.00 N ATOM 307 CA PHE A 22 37.623 8.515 -3.014 1.00 0.00 C ATOM 308 C PHE A 22 37.432 7.110 -3.554 1.00 0.00 C ATOM 309 O PHE A 22 36.328 6.567 -3.508 1.00 0.00 O ATOM 310 CB PHE A 22 38.778 8.550 -2.013 1.00 0.00 C ATOM 311 CG PHE A 22 38.886 9.853 -1.272 1.00 0.00 C ATOM 312 CD1 PHE A 22 38.966 11.053 -1.960 1.00 0.00 C ATOM 313 CD2 PHE A 22 38.909 9.877 0.113 1.00 0.00 C ATOM 314 CE1 PHE A 22 39.065 12.253 -1.280 1.00 0.00 C ATOM 315 CE2 PHE A 22 39.008 11.073 0.798 1.00 0.00 C ATOM 316 CZ PHE A 22 39.086 12.263 0.101 1.00 0.00 C ATOM 0 H PHE A 22 35.949 8.253 -1.804 1.00 0.00 H new ATOM 0 HA PHE A 22 37.869 9.187 -3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 22 38.650 7.741 -1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 22 39.713 8.362 -2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 22 38.951 11.051 -3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 22 38.849 8.950 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 22 39.126 13.182 -1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 22 39.024 11.077 1.878 1.00 0.00 H new ATOM 0 HZ PHE A 22 39.163 13.199 0.635 1.00 0.00 H new ATOM 326 N SER A 23 38.497 6.518 -4.054 1.00 0.00 N ATOM 327 CA SER A 23 38.425 5.173 -4.585 1.00 0.00 C ATOM 328 C SER A 23 39.841 4.632 -4.767 1.00 0.00 C ATOM 329 O SER A 23 40.612 4.588 -3.812 1.00 0.00 O ATOM 330 CB SER A 23 37.652 5.165 -5.906 1.00 0.00 C ATOM 331 OG SER A 23 36.283 5.465 -5.699 1.00 0.00 O ATOM 0 H SER A 23 39.421 6.946 -4.104 1.00 0.00 H new ATOM 0 HA SER A 23 37.890 4.528 -3.888 1.00 0.00 H new ATOM 0 HB2 SER A 23 38.088 5.894 -6.590 1.00 0.00 H new ATOM 0 HB3 SER A 23 37.746 4.188 -6.379 1.00 0.00 H new ATOM 0 HG SER A 23 36.112 5.566 -4.739 1.00 0.00 H new ATOM 337 N ASP A 24 40.198 4.235 -5.983 1.00 0.00 N ATOM 338 CA ASP A 24 41.539 3.733 -6.245 1.00 0.00 C ATOM 339 C ASP A 24 42.215 4.594 -7.303 1.00 0.00 C ATOM 340 O ASP A 24 41.739 4.671 -8.435 1.00 0.00 O ATOM 341 CB ASP A 24 41.492 2.279 -6.711 1.00 0.00 C ATOM 342 CG ASP A 24 40.096 1.833 -7.105 1.00 0.00 C ATOM 343 OD1 ASP A 24 39.171 1.975 -6.278 1.00 0.00 O ATOM 344 OD2 ASP A 24 39.929 1.341 -8.242 1.00 0.00 O ATOM 0 H ASP A 24 39.582 4.251 -6.796 1.00 0.00 H new ATOM 0 HA ASP A 24 42.112 3.780 -5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 24 42.162 2.153 -7.561 1.00 0.00 H new ATOM 0 HB3 ASP A 24 41.863 1.635 -5.914 1.00 0.00 H new ATOM 349 N GLU A 25 43.309 5.257 -6.933 1.00 0.00 N ATOM 350 CA GLU A 25 44.013 6.123 -7.878 1.00 0.00 C ATOM 351 C GLU A 25 43.995 5.515 -9.271 1.00 0.00 C ATOM 352 O GLU A 25 43.859 6.220 -10.271 1.00 0.00 O ATOM 353 CB GLU A 25 45.453 6.383 -7.427 1.00 0.00 C ATOM 354 CG GLU A 25 46.035 7.679 -7.968 1.00 0.00 C ATOM 355 CD GLU A 25 45.802 8.855 -7.039 1.00 0.00 C ATOM 356 OE1 GLU A 25 45.422 8.622 -5.872 1.00 0.00 O ATOM 357 OE2 GLU A 25 46.000 10.007 -7.477 1.00 0.00 O ATOM 0 H GLU A 25 43.722 5.213 -6.002 1.00 0.00 H new ATOM 0 HA GLU A 25 43.492 7.080 -7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 25 45.485 6.407 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 25 46.081 5.551 -7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 25 47.106 7.553 -8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 25 45.591 7.895 -8.940 1.00 0.00 H new ATOM 364 N GLY A 26 44.123 4.201 -9.321 1.00 0.00 N ATOM 365 CA GLY A 26 44.110 3.492 -10.586 1.00 0.00 C ATOM 366 C GLY A 26 43.404 2.151 -10.483 1.00 0.00 C ATOM 367 O GLY A 26 42.300 1.982 -10.999 1.00 0.00 O ATOM 0 H GLY A 26 44.237 3.605 -8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 26 43.615 4.105 -11.339 1.00 0.00 H new ATOM 0 HA3 GLY A 26 45.134 3.337 -10.924 1.00 0.00 H new ATOM 371 N GLY A 27 44.045 1.199 -9.812 1.00 0.00 N ATOM 372 CA GLY A 27 43.474 -0.124 -9.642 1.00 0.00 C ATOM 373 C GLY A 27 44.202 -0.904 -8.565 1.00 0.00 C ATOM 374 O GLY A 27 44.418 -2.110 -8.688 1.00 0.00 O ATOM 0 H GLY A 27 44.960 1.323 -9.379 1.00 0.00 H new ATOM 0 HA2 GLY A 27 42.419 -0.036 -9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 27 43.524 -0.668 -10.585 1.00 0.00 H new ATOM 378 N TRP A 28 44.568 -0.197 -7.503 1.00 0.00 N ATOM 379 CA TRP A 28 45.267 -0.806 -6.379 1.00 0.00 C ATOM 380 C TRP A 28 44.295 -1.166 -5.267 1.00 0.00 C ATOM 381 O TRP A 28 44.518 -2.113 -4.520 1.00 0.00 O ATOM 382 CB TRP A 28 46.355 0.123 -5.842 1.00 0.00 C ATOM 383 CG TRP A 28 45.864 1.500 -5.530 1.00 0.00 C ATOM 384 CD1 TRP A 28 46.151 2.638 -6.216 1.00 0.00 C ATOM 385 CD2 TRP A 28 45.000 1.886 -4.454 1.00 0.00 C ATOM 386 NE1 TRP A 28 45.525 3.708 -5.632 1.00 0.00 N ATOM 387 CE2 TRP A 28 44.813 3.274 -4.551 1.00 0.00 C ATOM 388 CE3 TRP A 28 44.368 1.195 -3.421 1.00 0.00 C ATOM 389 CZ2 TRP A 28 44.021 3.986 -3.655 1.00 0.00 C ATOM 390 CZ3 TRP A 28 43.580 1.899 -2.530 1.00 0.00 C ATOM 391 CH2 TRP A 28 43.413 3.283 -2.650 1.00 0.00 C ATOM 0 H TRP A 28 44.391 0.802 -7.397 1.00 0.00 H new ATOM 0 HA TRP A 28 45.739 -1.720 -6.740 1.00 0.00 H new ATOM 0 HB2 TRP A 28 46.782 -0.315 -4.940 1.00 0.00 H new ATOM 0 HB3 TRP A 28 47.159 0.190 -6.575 1.00 0.00 H new ATOM 0 HD1 TRP A 28 46.780 2.691 -7.092 1.00 0.00 H new ATOM 0 HE1 TRP A 28 45.582 4.674 -5.954 1.00 0.00 H new ATOM 0 HE3 TRP A 28 44.492 0.127 -3.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 43.891 5.054 -3.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 43.085 1.372 -1.728 1.00 0.00 H new ATOM 0 HH2 TRP A 28 42.793 3.806 -1.937 1.00 0.00 H new ATOM 402 N LEU A 29 43.214 -0.401 -5.160 1.00 0.00 N ATOM 403 CA LEU A 29 42.213 -0.647 -4.130 1.00 0.00 C ATOM 404 C LEU A 29 41.994 -2.144 -3.973 1.00 0.00 C ATOM 405 O LEU A 29 42.320 -2.721 -2.936 1.00 0.00 O ATOM 406 CB LEU A 29 40.902 0.078 -4.467 1.00 0.00 C ATOM 407 CG LEU A 29 39.618 -0.577 -3.947 1.00 0.00 C ATOM 408 CD1 LEU A 29 38.978 0.304 -2.893 1.00 0.00 C ATOM 409 CD2 LEU A 29 38.643 -0.825 -5.088 1.00 0.00 C ATOM 0 H LEU A 29 43.010 0.390 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 29 42.572 -0.251 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 29 40.957 1.091 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 29 40.828 0.167 -5.551 1.00 0.00 H new ATOM 0 HG LEU A 29 39.874 -1.537 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 29 38.066 -0.169 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 29 39.672 0.442 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 29 38.735 1.274 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 29 37.738 -1.291 -4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 29 38.388 0.123 -5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 29 39.103 -1.486 -5.823 1.00 0.00 H new ATOM 421 N THR A 30 41.456 -2.772 -5.009 1.00 0.00 N ATOM 422 CA THR A 30 41.217 -4.208 -4.974 1.00 0.00 C ATOM 423 C THR A 30 42.386 -4.917 -4.295 1.00 0.00 C ATOM 424 O THR A 30 42.216 -5.964 -3.671 1.00 0.00 O ATOM 425 CB THR A 30 41.020 -4.753 -6.389 1.00 0.00 C ATOM 426 OG1 THR A 30 41.520 -6.075 -6.492 1.00 0.00 O ATOM 427 CG2 THR A 30 41.703 -3.919 -7.451 1.00 0.00 C ATOM 0 H THR A 30 41.179 -2.314 -5.877 1.00 0.00 H new ATOM 0 HA THR A 30 40.308 -4.395 -4.402 1.00 0.00 H new ATOM 0 HB THR A 30 39.944 -4.724 -6.563 1.00 0.00 H new ATOM 0 HG1 THR A 30 41.383 -6.406 -7.404 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.524 -4.360 -8.431 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.303 -2.905 -7.431 1.00 0.00 H new ATOM 0 HG23 THR A 30 42.775 -3.890 -7.257 1.00 0.00 H new ATOM 435 N ARG A 31 43.574 -4.326 -4.419 1.00 0.00 N ATOM 436 CA ARG A 31 44.784 -4.880 -3.820 1.00 0.00 C ATOM 437 C ARG A 31 45.026 -4.278 -2.434 1.00 0.00 C ATOM 438 O ARG A 31 45.036 -4.997 -1.434 1.00 0.00 O ATOM 439 CB ARG A 31 45.989 -4.634 -4.742 1.00 0.00 C ATOM 440 CG ARG A 31 47.252 -4.177 -4.024 1.00 0.00 C ATOM 441 CD ARG A 31 48.504 -4.517 -4.815 1.00 0.00 C ATOM 442 NE ARG A 31 49.705 -3.958 -4.200 1.00 0.00 N ATOM 443 CZ ARG A 31 50.905 -3.981 -4.770 1.00 0.00 C ATOM 444 NH1 ARG A 31 51.061 -4.522 -5.969 1.00 0.00 N ATOM 445 NH2 ARG A 31 51.949 -3.459 -4.139 1.00 0.00 N ATOM 0 H ARG A 31 43.723 -3.458 -4.933 1.00 0.00 H new ATOM 0 HA ARG A 31 44.654 -5.955 -3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 31 46.208 -5.553 -5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 31 45.716 -3.883 -5.483 1.00 0.00 H new ATOM 0 HG2 ARG A 31 47.207 -3.100 -3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 31 47.303 -4.648 -3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 31 48.604 -5.600 -4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 31 48.406 -4.136 -5.832 1.00 0.00 H new ATOM 0 HE ARG A 31 49.618 -3.525 -3.280 1.00 0.00 H new ATOM 0 HH11 ARG A 31 50.259 -4.922 -6.456 1.00 0.00 H new ATOM 0 HH12 ARG A 31 51.983 -4.539 -6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 31 51.830 -3.040 -3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 31 52.870 -3.477 -4.576 1.00 0.00 H new ATOM 459 N LEU A 32 45.223 -2.956 -2.383 1.00 0.00 N ATOM 460 CA LEU A 32 45.463 -2.263 -1.119 1.00 0.00 C ATOM 461 C LEU A 32 44.682 -2.932 0.009 1.00 0.00 C ATOM 462 O LEU A 32 45.271 -3.468 0.948 1.00 0.00 O ATOM 463 CB LEU A 32 45.076 -0.785 -1.254 1.00 0.00 C ATOM 464 CG LEU A 32 45.289 0.082 -0.012 1.00 0.00 C ATOM 465 CD1 LEU A 32 44.271 -0.258 1.062 1.00 0.00 C ATOM 466 CD2 LEU A 32 46.706 -0.075 0.516 1.00 0.00 C ATOM 0 H LEU A 32 45.220 -2.348 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 32 46.524 -2.321 -0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 32 45.648 -0.354 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.024 -0.730 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 32 45.146 1.125 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 32 44.441 0.370 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 32 43.266 -0.083 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.375 -1.306 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 32 46.836 0.550 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.882 -1.118 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 32 47.416 0.230 -0.252 1.00 0.00 H new ATOM 478 N LEU A 33 43.358 -2.935 -0.109 1.00 0.00 N ATOM 479 CA LEU A 33 42.504 -3.581 0.883 1.00 0.00 C ATOM 480 C LEU A 33 43.097 -4.938 1.261 1.00 0.00 C ATOM 481 O LEU A 33 43.574 -5.145 2.374 1.00 0.00 O ATOM 482 CB LEU A 33 41.097 -3.761 0.308 1.00 0.00 C ATOM 483 CG LEU A 33 40.385 -2.462 -0.072 1.00 0.00 C ATOM 484 CD1 LEU A 33 39.147 -2.756 -0.904 1.00 0.00 C ATOM 485 CD2 LEU A 33 40.019 -1.672 1.175 1.00 0.00 C ATOM 0 H LEU A 33 42.853 -2.498 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 33 42.445 -2.959 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 33 41.160 -4.396 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 33 40.487 -4.292 1.039 1.00 0.00 H new ATOM 0 HG LEU A 33 41.065 -1.858 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 33 38.653 -1.820 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 33 39.437 -3.280 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 33 38.462 -3.379 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 33 39.513 -0.751 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 33 39.357 -2.269 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 33 40.925 -1.430 1.731 1.00 0.00 H new ATOM 497 N GLN A 34 43.052 -5.845 0.299 1.00 0.00 N ATOM 498 CA GLN A 34 43.573 -7.200 0.458 1.00 0.00 C ATOM 499 C GLN A 34 44.867 -7.221 1.277 1.00 0.00 C ATOM 500 O GLN A 34 44.969 -7.929 2.280 1.00 0.00 O ATOM 501 CB GLN A 34 43.836 -7.792 -0.919 1.00 0.00 C ATOM 502 CG GLN A 34 42.800 -8.811 -1.363 1.00 0.00 C ATOM 503 CD GLN A 34 41.777 -8.223 -2.316 1.00 0.00 C ATOM 504 OE1 GLN A 34 41.863 -8.408 -3.531 1.00 0.00 O ATOM 505 NE2 GLN A 34 40.802 -7.508 -1.768 1.00 0.00 N ATOM 0 H GLN A 34 42.651 -5.664 -0.621 1.00 0.00 H new ATOM 0 HA GLN A 34 42.831 -7.790 0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 34 43.872 -6.984 -1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 34 44.818 -8.265 -0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 34 43.303 -9.648 -1.847 1.00 0.00 H new ATOM 0 HG3 GLN A 34 42.288 -9.209 -0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 34 40.770 -7.380 -0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 34 40.085 -7.086 -2.358 1.00 0.00 H new ATOM 514 N THR A 35 45.850 -6.441 0.836 1.00 0.00 N ATOM 515 CA THR A 35 47.147 -6.357 1.512 1.00 0.00 C ATOM 516 C THR A 35 47.063 -5.512 2.782 1.00 0.00 C ATOM 517 O THR A 35 48.052 -5.335 3.494 1.00 0.00 O ATOM 518 CB THR A 35 48.199 -5.779 0.564 1.00 0.00 C ATOM 519 OG1 THR A 35 47.754 -5.848 -0.780 1.00 0.00 O ATOM 520 CG2 THR A 35 49.531 -6.491 0.642 1.00 0.00 C ATOM 0 H THR A 35 45.774 -5.852 0.006 1.00 0.00 H new ATOM 0 HA THR A 35 47.439 -7.367 1.801 1.00 0.00 H new ATOM 0 HB THR A 35 48.338 -4.746 0.883 1.00 0.00 H new ATOM 0 HG1 THR A 35 48.439 -5.472 -1.371 1.00 0.00 H new ATOM 0 HG21 THR A 35 50.231 -6.031 -0.056 1.00 0.00 H new ATOM 0 HG22 THR A 35 49.926 -6.415 1.655 1.00 0.00 H new ATOM 0 HG23 THR A 35 49.398 -7.541 0.383 1.00 0.00 H new ATOM 528 N LYS A 36 45.870 -5.009 3.063 1.00 0.00 N ATOM 529 CA LYS A 36 45.638 -4.196 4.250 1.00 0.00 C ATOM 530 C LYS A 36 44.515 -4.783 5.093 1.00 0.00 C ATOM 531 O LYS A 36 43.834 -4.062 5.818 1.00 0.00 O ATOM 532 CB LYS A 36 45.296 -2.755 3.863 1.00 0.00 C ATOM 533 CG LYS A 36 46.492 -1.816 3.890 1.00 0.00 C ATOM 534 CD LYS A 36 47.565 -2.253 2.906 1.00 0.00 C ATOM 535 CE LYS A 36 48.852 -1.470 3.099 1.00 0.00 C ATOM 536 NZ LYS A 36 50.049 -2.358 3.080 1.00 0.00 N ATOM 0 H LYS A 36 45.043 -5.150 2.483 1.00 0.00 H new ATOM 0 HA LYS A 36 46.556 -4.193 4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 36 44.863 -2.750 2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 36 44.533 -2.377 4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 36 46.167 -0.804 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 36 46.910 -1.786 4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 36 47.763 -3.317 3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 36 47.203 -2.115 1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 36 48.943 -0.721 2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 36 48.812 -0.934 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 50.907 -1.787 3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 49.975 -3.057 3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 50.101 -2.851 2.166 1.00 0.00 H new ATOM 550 N ASN A 37 44.314 -6.094 4.983 1.00 0.00 N ATOM 551 CA ASN A 37 43.252 -6.753 5.731 1.00 0.00 C ATOM 552 C ASN A 37 41.937 -6.029 5.469 1.00 0.00 C ATOM 553 O ASN A 37 41.165 -5.740 6.380 1.00 0.00 O ATOM 554 CB ASN A 37 43.591 -6.761 7.230 1.00 0.00 C ATOM 555 CG ASN A 37 42.396 -7.078 8.110 1.00 0.00 C ATOM 556 OD1 ASN A 37 41.796 -6.041 8.686 1.00 0.00 O flip ATOM 557 ND2 ASN A 37 42.016 -8.239 8.268 1.00 0.00 N flip ATOM 0 H ASN A 37 44.867 -6.713 4.390 1.00 0.00 H new ATOM 0 HA ASN A 37 43.155 -7.789 5.405 1.00 0.00 H new ATOM 0 HB2 ASN A 37 44.375 -7.495 7.415 1.00 0.00 H new ATOM 0 HB3 ASN A 37 43.993 -5.787 7.511 1.00 0.00 H new ATOM 0 HD21 ASN A 37 42.508 -9.004 7.806 1.00 0.00 H new ATOM 0 HD22 ASN A 37 41.210 -8.435 8.861 1.00 0.00 H new ATOM 564 N TYR A 38 41.706 -5.705 4.203 1.00 0.00 N ATOM 565 CA TYR A 38 40.504 -4.984 3.828 1.00 0.00 C ATOM 566 C TYR A 38 40.349 -3.777 4.738 1.00 0.00 C ATOM 567 O TYR A 38 39.352 -3.640 5.446 1.00 0.00 O ATOM 568 CB TYR A 38 39.277 -5.887 3.937 1.00 0.00 C ATOM 569 CG TYR A 38 39.218 -6.962 2.876 1.00 0.00 C ATOM 570 CD1 TYR A 38 38.650 -6.710 1.633 1.00 0.00 C ATOM 571 CD2 TYR A 38 39.732 -8.229 3.118 1.00 0.00 C ATOM 572 CE1 TYR A 38 38.597 -7.692 0.662 1.00 0.00 C ATOM 573 CE2 TYR A 38 39.683 -9.216 2.153 1.00 0.00 C ATOM 574 CZ TYR A 38 39.113 -8.943 0.926 1.00 0.00 C ATOM 575 OH TYR A 38 39.062 -9.923 -0.038 1.00 0.00 O ATOM 0 H TYR A 38 42.330 -5.929 3.428 1.00 0.00 H new ATOM 0 HA TYR A 38 40.590 -4.656 2.792 1.00 0.00 H new ATOM 0 HB2 TYR A 38 39.270 -6.358 4.920 1.00 0.00 H new ATOM 0 HB3 TYR A 38 38.378 -5.274 3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 38 38.244 -5.732 1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 38 40.178 -8.446 4.077 1.00 0.00 H new ATOM 0 HE1 TYR A 38 38.153 -7.480 -0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 38 40.088 -10.196 2.357 1.00 0.00 H new ATOM 0 HH TYR A 38 39.469 -10.744 0.308 1.00 0.00 H new ATOM 585 N ASP A 39 41.359 -2.914 4.727 1.00 0.00 N ATOM 586 CA ASP A 39 41.349 -1.724 5.571 1.00 0.00 C ATOM 587 C ASP A 39 41.490 -0.454 4.750 1.00 0.00 C ATOM 588 O ASP A 39 42.328 -0.369 3.853 1.00 0.00 O ATOM 589 CB ASP A 39 42.477 -1.791 6.604 1.00 0.00 C ATOM 590 CG ASP A 39 42.321 -2.957 7.562 1.00 0.00 C ATOM 591 OD1 ASP A 39 41.231 -3.565 7.585 1.00 0.00 O ATOM 592 OD2 ASP A 39 43.292 -3.262 8.288 1.00 0.00 O ATOM 0 H ASP A 39 42.191 -3.015 4.146 1.00 0.00 H new ATOM 0 HA ASP A 39 40.387 -1.697 6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 39 43.433 -1.875 6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.502 -0.860 7.171 1.00 0.00 H new ATOM 597 N ILE A 40 40.672 0.539 5.077 1.00 0.00 N ATOM 598 CA ILE A 40 40.718 1.810 4.385 1.00 0.00 C ATOM 599 C ILE A 40 41.711 2.717 5.073 1.00 0.00 C ATOM 600 O ILE A 40 42.281 3.623 4.464 1.00 0.00 O ATOM 601 CB ILE A 40 39.342 2.496 4.353 1.00 0.00 C ATOM 602 CG1 ILE A 40 38.803 2.676 5.776 1.00 0.00 C ATOM 603 CG2 ILE A 40 38.374 1.693 3.501 1.00 0.00 C ATOM 604 CD1 ILE A 40 37.953 1.519 6.258 1.00 0.00 C ATOM 0 H ILE A 40 39.972 0.484 5.817 1.00 0.00 H new ATOM 0 HA ILE A 40 41.022 1.620 3.356 1.00 0.00 H new ATOM 0 HB ILE A 40 39.451 3.484 3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 40 39.643 2.807 6.459 1.00 0.00 H new ATOM 0 HG13 ILE A 40 38.212 3.591 5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 40 37.404 2.189 3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 40 38.759 1.620 2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 40 38.264 0.693 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 40 37.608 1.719 7.272 1.00 0.00 H new ATOM 0 HD12 ILE A 40 37.093 1.400 5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 40 38.545 0.604 6.250 1.00 0.00 H new ATOM 616 N GLY A 41 41.917 2.457 6.359 1.00 0.00 N ATOM 617 CA GLY A 41 42.846 3.248 7.122 1.00 0.00 C ATOM 618 C GLY A 41 44.070 3.593 6.313 1.00 0.00 C ATOM 619 O GLY A 41 44.498 4.746 6.263 1.00 0.00 O ATOM 0 H GLY A 41 41.455 1.712 6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 41 42.358 4.164 7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 41 43.142 2.701 8.017 1.00 0.00 H new ATOM 623 N ALA A 42 44.619 2.580 5.670 1.00 0.00 N ATOM 624 CA ALA A 42 45.798 2.744 4.833 1.00 0.00 C ATOM 625 C ALA A 42 45.403 2.962 3.383 1.00 0.00 C ATOM 626 O ALA A 42 46.195 3.460 2.582 1.00 0.00 O ATOM 627 CB ALA A 42 46.718 1.539 4.964 1.00 0.00 C ATOM 0 H ALA A 42 44.265 1.624 5.711 1.00 0.00 H new ATOM 0 HA ALA A 42 46.338 3.627 5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 42 47.594 1.680 4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 42 47.033 1.433 6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 42 46.186 0.640 4.653 1.00 0.00 H new ATOM 633 N ALA A 43 44.167 2.610 3.050 1.00 0.00 N ATOM 634 CA ALA A 43 43.676 2.800 1.692 1.00 0.00 C ATOM 635 C ALA A 43 43.716 4.279 1.341 1.00 0.00 C ATOM 636 O ALA A 43 44.112 4.660 0.239 1.00 0.00 O ATOM 637 CB ALA A 43 42.266 2.252 1.539 1.00 0.00 C ATOM 0 H ALA A 43 43.493 2.196 3.694 1.00 0.00 H new ATOM 0 HA ALA A 43 44.320 2.250 1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 43 41.924 2.407 0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 43 42.264 1.186 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 43 41.598 2.770 2.227 1.00 0.00 H new ATOM 643 N LEU A 44 43.317 5.109 2.300 1.00 0.00 N ATOM 644 CA LEU A 44 43.319 6.551 2.113 1.00 0.00 C ATOM 645 C LEU A 44 44.713 7.028 1.731 1.00 0.00 C ATOM 646 O LEU A 44 44.925 7.575 0.648 1.00 0.00 O ATOM 647 CB LEU A 44 42.870 7.253 3.397 1.00 0.00 C ATOM 648 CG LEU A 44 41.412 7.710 3.411 1.00 0.00 C ATOM 649 CD1 LEU A 44 40.596 6.858 4.372 1.00 0.00 C ATOM 650 CD2 LEU A 44 41.320 9.182 3.788 1.00 0.00 C ATOM 0 H LEU A 44 42.988 4.804 3.216 1.00 0.00 H new ATOM 0 HA LEU A 44 42.623 6.797 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 44 43.031 6.577 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 44 43.508 8.121 3.560 1.00 0.00 H new ATOM 0 HG LEU A 44 41.000 7.586 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 44 39.560 7.197 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 44 40.637 5.815 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 44 41.006 6.951 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 44 40.275 9.492 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 44 41.748 9.331 4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 44 41.871 9.779 3.062 1.00 0.00 H new ATOM 662 N ASP A 45 45.658 6.817 2.640 1.00 0.00 N ATOM 663 CA ASP A 45 47.040 7.223 2.430 1.00 0.00 C ATOM 664 C ASP A 45 47.480 7.052 0.976 1.00 0.00 C ATOM 665 O ASP A 45 48.395 7.731 0.520 1.00 0.00 O ATOM 666 CB ASP A 45 47.966 6.419 3.346 1.00 0.00 C ATOM 667 CG ASP A 45 49.423 6.525 2.936 1.00 0.00 C ATOM 668 OD1 ASP A 45 49.786 5.963 1.881 1.00 0.00 O ATOM 669 OD2 ASP A 45 50.200 7.172 3.670 1.00 0.00 O ATOM 0 H ASP A 45 45.488 6.363 3.537 1.00 0.00 H new ATOM 0 HA ASP A 45 47.106 8.284 2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 45 47.854 6.772 4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 45 47.664 5.372 3.334 1.00 0.00 H new ATOM 674 N THR A 46 46.858 6.125 0.256 1.00 0.00 N ATOM 675 CA THR A 46 47.239 5.871 -1.129 1.00 0.00 C ATOM 676 C THR A 46 46.413 6.667 -2.144 1.00 0.00 C ATOM 677 O THR A 46 46.900 6.970 -3.233 1.00 0.00 O ATOM 678 CB THR A 46 47.119 4.378 -1.431 1.00 0.00 C ATOM 679 OG1 THR A 46 45.762 4.014 -1.611 1.00 0.00 O ATOM 680 CG2 THR A 46 47.689 3.500 -0.340 1.00 0.00 C ATOM 0 H THR A 46 46.096 5.543 0.603 1.00 0.00 H new ATOM 0 HA THR A 46 48.272 6.204 -1.234 1.00 0.00 H new ATOM 0 HB THR A 46 47.697 4.218 -2.341 1.00 0.00 H new ATOM 0 HG1 THR A 46 45.616 3.747 -2.543 1.00 0.00 H new ATOM 0 HG21 THR A 46 47.572 2.452 -0.617 1.00 0.00 H new ATOM 0 HG22 THR A 46 48.748 3.724 -0.208 1.00 0.00 H new ATOM 0 HG23 THR A 46 47.159 3.690 0.594 1.00 0.00 H new ATOM 688 N ILE A 47 45.161 6.975 -1.816 1.00 0.00 N ATOM 689 CA ILE A 47 44.305 7.699 -2.757 1.00 0.00 C ATOM 690 C ILE A 47 44.712 9.159 -2.907 1.00 0.00 C ATOM 691 O ILE A 47 44.559 9.736 -3.982 1.00 0.00 O ATOM 692 CB ILE A 47 42.813 7.634 -2.373 1.00 0.00 C ATOM 693 CG1 ILE A 47 42.640 7.589 -0.858 1.00 0.00 C ATOM 694 CG2 ILE A 47 42.150 6.427 -3.020 1.00 0.00 C ATOM 695 CD1 ILE A 47 41.205 7.795 -0.417 1.00 0.00 C ATOM 0 H ILE A 47 44.722 6.741 -0.926 1.00 0.00 H new ATOM 0 HA ILE A 47 44.444 7.192 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 47 42.328 8.538 -2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 47 42.993 6.627 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 47 43.267 8.356 -0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 47 41.097 6.396 -2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 47 42.234 6.503 -4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 47 42.643 5.516 -2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 47 41.149 7.752 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 47 40.855 8.769 -0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 47 40.577 7.013 -0.844 1.00 0.00 H new ATOM 707 N GLN A 48 45.223 9.756 -1.837 1.00 0.00 N ATOM 708 CA GLN A 48 45.634 11.157 -1.876 1.00 0.00 C ATOM 709 C GLN A 48 46.539 11.508 -0.699 1.00 0.00 C ATOM 710 O GLN A 48 47.662 11.978 -0.876 1.00 0.00 O ATOM 711 CB GLN A 48 44.401 12.066 -1.841 1.00 0.00 C ATOM 712 CG GLN A 48 43.794 12.359 -3.204 1.00 0.00 C ATOM 713 CD GLN A 48 42.312 12.037 -3.259 1.00 0.00 C ATOM 714 OE1 GLN A 48 41.985 10.771 -3.499 1.00 0.00 O flip ATOM 715 NE2 GLN A 48 41.470 12.916 -3.086 1.00 0.00 N flip ATOM 0 H GLN A 48 45.363 9.297 -0.937 1.00 0.00 H new ATOM 0 HA GLN A 48 46.189 11.310 -2.801 1.00 0.00 H new ATOM 0 HB2 GLN A 48 43.642 11.603 -1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 48 44.674 13.010 -1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 48 43.944 13.411 -3.447 1.00 0.00 H new ATOM 0 HG3 GLN A 48 44.317 11.779 -3.964 1.00 0.00 H new ATOM 0 HE21 GLN A 48 41.764 13.876 -2.904 1.00 0.00 H new ATOM 0 HE22 GLN A 48 40.477 12.686 -3.124 1.00 0.00 H new ATOM 724 N TYR A 49 46.017 11.303 0.502 1.00 0.00 N ATOM 725 CA TYR A 49 46.737 11.622 1.731 1.00 0.00 C ATOM 726 C TYR A 49 47.910 10.679 1.987 1.00 0.00 C ATOM 727 O TYR A 49 48.019 10.105 3.070 1.00 0.00 O ATOM 728 CB TYR A 49 45.768 11.572 2.910 1.00 0.00 C ATOM 729 CG TYR A 49 44.698 12.637 2.853 1.00 0.00 C ATOM 730 CD1 TYR A 49 44.923 13.907 3.372 1.00 0.00 C ATOM 731 CD2 TYR A 49 43.462 12.375 2.275 1.00 0.00 C ATOM 732 CE1 TYR A 49 43.946 14.882 3.317 1.00 0.00 C ATOM 733 CE2 TYR A 49 42.481 13.345 2.215 1.00 0.00 C ATOM 734 CZ TYR A 49 42.728 14.597 2.738 1.00 0.00 C ATOM 735 OH TYR A 49 41.754 15.567 2.679 1.00 0.00 O ATOM 0 H TYR A 49 45.087 10.913 0.654 1.00 0.00 H new ATOM 0 HA TYR A 49 47.151 12.624 1.618 1.00 0.00 H new ATOM 0 HB2 TYR A 49 45.293 10.591 2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 49 46.330 11.681 3.838 1.00 0.00 H new ATOM 0 HD1 TYR A 49 45.876 14.135 3.825 1.00 0.00 H new ATOM 0 HD2 TYR A 49 43.265 11.395 1.865 1.00 0.00 H new ATOM 0 HE1 TYR A 49 44.136 15.863 3.726 1.00 0.00 H new ATOM 0 HE2 TYR A 49 41.526 13.125 1.761 1.00 0.00 H new ATOM 0 HH TYR A 49 40.957 15.204 2.239 1.00 0.00 H new ATOM 745 N SER A 50 48.793 10.529 1.005 1.00 0.00 N ATOM 746 CA SER A 50 49.954 9.659 1.157 1.00 0.00 C ATOM 747 C SER A 50 51.105 10.395 1.831 1.00 0.00 C ATOM 748 O SER A 50 52.241 10.356 1.358 1.00 0.00 O ATOM 749 CB SER A 50 50.404 9.134 -0.207 1.00 0.00 C ATOM 750 OG SER A 50 51.190 7.963 -0.069 1.00 0.00 O ATOM 0 H SER A 50 48.728 10.996 0.100 1.00 0.00 H new ATOM 0 HA SER A 50 49.664 8.819 1.789 1.00 0.00 H new ATOM 0 HB2 SER A 50 49.531 8.919 -0.823 1.00 0.00 H new ATOM 0 HB3 SER A 50 50.978 9.902 -0.724 1.00 0.00 H new ATOM 0 HG SER A 50 50.738 7.334 0.532 1.00 0.00 H new ATOM 756 N LYS A 51 50.805 11.064 2.938 1.00 0.00 N ATOM 757 CA LYS A 51 51.821 11.808 3.674 1.00 0.00 C ATOM 758 C LYS A 51 51.225 12.497 4.896 1.00 0.00 C ATOM 759 O LYS A 51 51.198 13.725 4.978 1.00 0.00 O ATOM 760 CB LYS A 51 52.480 12.845 2.762 1.00 0.00 C ATOM 761 CG LYS A 51 53.630 13.586 3.420 1.00 0.00 C ATOM 762 CD LYS A 51 54.511 12.643 4.222 1.00 0.00 C ATOM 763 CE LYS A 51 55.901 13.219 4.430 1.00 0.00 C ATOM 764 NZ LYS A 51 56.620 12.541 5.542 1.00 0.00 N ATOM 0 H LYS A 51 49.871 11.107 3.345 1.00 0.00 H new ATOM 0 HA LYS A 51 52.574 11.098 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 51 52.845 12.347 1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 51 51.728 13.567 2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 51 54.228 14.084 2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 51 53.237 14.364 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 51 54.049 12.447 5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 51 54.586 11.686 3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 51 56.477 13.119 3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 51 55.824 14.285 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 57.564 12.962 5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 56.083 12.658 6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 56.716 11.528 5.327 1.00 0.00 H new ATOM 778 N HIS A 52 50.751 11.701 5.849 1.00 0.00 N ATOM 779 CA HIS A 52 50.160 12.240 7.068 1.00 0.00 C ATOM 780 C HIS A 52 51.127 12.113 8.241 1.00 0.00 C ATOM 781 O HIS A 52 51.184 13.050 9.064 1.00 0.00 O ATOM 782 CB HIS A 52 48.849 11.522 7.391 1.00 0.00 C ATOM 783 CG HIS A 52 48.284 11.889 8.729 1.00 0.00 C ATOM 784 ND1 HIS A 52 48.507 11.168 9.881 1.00 0.00 N ATOM 785 CD2 HIS A 52 47.492 12.932 9.087 1.00 0.00 C ATOM 786 CE1 HIS A 52 47.859 11.780 10.882 1.00 0.00 C ATOM 787 NE2 HIS A 52 47.228 12.856 10.453 1.00 0.00 N ATOM 788 OXT HIS A 52 51.821 11.078 8.325 1.00 0.00 O ATOM 0 H HIS A 52 50.765 10.682 5.801 1.00 0.00 H new ATOM 0 HA HIS A 52 49.951 13.297 6.903 1.00 0.00 H new ATOM 0 HB2 HIS A 52 48.116 11.755 6.619 1.00 0.00 H new ATOM 0 HB3 HIS A 52 49.015 10.445 7.358 1.00 0.00 H new ATOM 0 HD2 HIS A 52 47.125 13.698 8.420 1.00 0.00 H new ATOM 0 HE1 HIS A 52 47.854 11.437 11.906 1.00 0.00 H new ATOM 0 HE2 HIS A 52 46.663 13.500 11.007 1.00 0.00 H new TER 796 HIS A 52