USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 GLN : amide:sc= -0.653 K(o=-1.4,f=-4.4) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -0.716 X(o=-1.4,f=-1.8) USER MOD Set 2.1: A 44 LYS NZ :NH3+ -116:sc= -0.643 (180deg=-1.94!) USER MOD Set 2.2: A 48 MET CE :methyl -153:sc= -1.23 (180deg=-2.28!) USER MOD Set 3.1: A 41 GLN : amide:sc= -0.958 K(o=-0.96,f=0.32) USER MOD Set 3.2: A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 36 GLN : amide:sc= -13.7! C(o=-15!,f=-18!) USER MOD Set 4.2: A 46 THR OG1 : rot 147:sc= -1.29! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 16:sc= 0.485 USER MOD Single : A 16 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.34) USER MOD Single : A 17 SER OG : rot 180:sc= 0.101 USER MOD Single : A 21 THR OG1 : rot 20:sc= -1.13 USER MOD Single : A 22 GLN : amide:sc= -14.1! C(o=-14!,f=-9.6!) USER MOD Single : A 24 MET CE :methyl -126:sc= -0.131 (180deg=-0.626) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0522 K(o=-0.052,f=-1) USER MOD Single : A 31 TYR OH : rot -74:sc= -0.562 USER MOD Single : A 39 HIS : no HD1:sc= -0.338 X(o=-0.34,f=-0.07) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-0.67) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 157:sc=-0.00299 (180deg=-0.431) USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= 0.989 (180deg=0.894) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0509 X(o=-0.051,f=0) USER MOD Single : A 85 THR OG1 : rot -7:sc= 1.96 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.855 -11.745 -11.136 1.00 0.00 N ATOM 2 CA GLY A 1 33.159 -11.658 -9.682 1.00 0.00 C ATOM 3 C GLY A 1 34.089 -10.505 -9.350 1.00 0.00 C ATOM 4 O GLY A 1 35.308 -10.676 -9.334 1.00 0.00 O ATOM 0 H1 GLY A 1 32.217 -12.548 -11.310 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.397 -10.865 -11.448 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.738 -11.883 -11.668 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.229 -11.542 -9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.613 -12.593 -9.352 1.00 0.00 H new ATOM 10 N PRO A 2 33.539 -9.310 -9.079 1.00 0.00 N ATOM 11 CA PRO A 2 34.342 -8.129 -8.746 1.00 0.00 C ATOM 12 C PRO A 2 35.007 -8.248 -7.379 1.00 0.00 C ATOM 13 O PRO A 2 36.194 -7.959 -7.228 1.00 0.00 O ATOM 14 CB PRO A 2 33.320 -6.990 -8.747 1.00 0.00 C ATOM 15 CG PRO A 2 32.018 -7.651 -8.450 1.00 0.00 C ATOM 16 CD PRO A 2 32.094 -9.016 -9.075 1.00 0.00 C ATOM 0 HA PRO A 2 35.162 -7.983 -9.449 1.00 0.00 H new ATOM 0 HB2 PRO A 2 33.563 -6.239 -7.996 1.00 0.00 H new ATOM 0 HB3 PRO A 2 33.295 -6.481 -9.710 1.00 0.00 H new ATOM 0 HG2 PRO A 2 31.853 -7.723 -7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 2 31.187 -7.079 -8.862 1.00 0.00 H new ATOM 0 HD2 PRO A 2 31.535 -9.754 -8.499 1.00 0.00 H new ATOM 0 HD3 PRO A 2 31.680 -9.020 -10.083 1.00 0.00 H new ATOM 24 N LEU A 3 34.234 -8.675 -6.386 1.00 0.00 N ATOM 25 CA LEU A 3 34.747 -8.833 -5.030 1.00 0.00 C ATOM 26 C LEU A 3 34.373 -10.198 -4.463 1.00 0.00 C ATOM 27 O LEU A 3 33.347 -10.346 -3.801 1.00 0.00 O ATOM 28 CB LEU A 3 34.206 -7.725 -4.125 1.00 0.00 C ATOM 29 CG LEU A 3 32.696 -7.487 -4.227 1.00 0.00 C ATOM 30 CD1 LEU A 3 32.027 -7.697 -2.877 1.00 0.00 C ATOM 31 CD2 LEU A 3 32.409 -6.087 -4.752 1.00 0.00 C ATOM 0 H LEU A 3 33.249 -8.918 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 3 35.834 -8.762 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 3 34.452 -7.968 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 3 34.722 -6.796 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 3 32.283 -8.210 -4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 3 30.955 -7.523 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 3 32.201 -8.719 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 3 32.445 -7.000 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 3 31.331 -5.937 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 3 32.838 -5.349 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 3 32.852 -5.971 -5.741 1.00 0.00 H new ATOM 43 N GLY A 4 35.213 -11.194 -4.728 1.00 0.00 N ATOM 44 CA GLY A 4 34.952 -12.534 -4.237 1.00 0.00 C ATOM 45 C GLY A 4 33.868 -13.240 -5.028 1.00 0.00 C ATOM 46 O GLY A 4 33.915 -13.280 -6.257 1.00 0.00 O ATOM 0 H GLY A 4 36.069 -11.097 -5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 4 35.870 -13.120 -4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 4 34.658 -12.483 -3.189 1.00 0.00 H new ATOM 50 N SER A 5 32.889 -13.796 -4.322 1.00 0.00 N ATOM 51 CA SER A 5 31.789 -14.502 -4.967 1.00 0.00 C ATOM 52 C SER A 5 30.730 -13.520 -5.463 1.00 0.00 C ATOM 53 O SER A 5 30.385 -12.567 -4.766 1.00 0.00 O ATOM 54 CB SER A 5 31.160 -15.504 -3.997 1.00 0.00 C ATOM 55 OG SER A 5 32.125 -16.420 -3.511 1.00 0.00 O ATOM 0 H SER A 5 32.835 -13.771 -3.304 1.00 0.00 H new ATOM 0 HA SER A 5 32.189 -15.042 -5.826 1.00 0.00 H new ATOM 0 HB2 SER A 5 30.708 -14.970 -3.161 1.00 0.00 H new ATOM 0 HB3 SER A 5 30.359 -16.047 -4.499 1.00 0.00 H new ATOM 0 HG SER A 5 31.697 -17.048 -2.892 1.00 0.00 H new ATOM 61 N PRO A 6 30.194 -13.739 -6.679 1.00 0.00 N ATOM 62 CA PRO A 6 29.169 -12.863 -7.255 1.00 0.00 C ATOM 63 C PRO A 6 27.985 -12.661 -6.316 1.00 0.00 C ATOM 64 O PRO A 6 27.535 -11.536 -6.101 1.00 0.00 O ATOM 65 CB PRO A 6 28.728 -13.610 -8.517 1.00 0.00 C ATOM 66 CG PRO A 6 29.895 -14.461 -8.880 1.00 0.00 C ATOM 67 CD PRO A 6 30.543 -14.852 -7.581 1.00 0.00 C ATOM 0 HA PRO A 6 29.553 -11.862 -7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 6 27.840 -14.214 -8.330 1.00 0.00 H new ATOM 0 HB3 PRO A 6 28.478 -12.917 -9.320 1.00 0.00 H new ATOM 0 HG2 PRO A 6 29.577 -15.342 -9.438 1.00 0.00 H new ATOM 0 HG3 PRO A 6 30.593 -13.916 -9.516 1.00 0.00 H new ATOM 0 HD2 PRO A 6 30.161 -15.804 -7.212 1.00 0.00 H new ATOM 0 HD3 PRO A 6 31.622 -14.961 -7.687 1.00 0.00 H new ATOM 75 N ILE A 7 27.486 -13.759 -5.759 1.00 0.00 N ATOM 76 CA ILE A 7 26.355 -13.704 -4.842 1.00 0.00 C ATOM 77 C ILE A 7 26.709 -12.929 -3.578 1.00 0.00 C ATOM 78 O ILE A 7 27.030 -13.517 -2.545 1.00 0.00 O ATOM 79 CB ILE A 7 25.879 -15.116 -4.449 1.00 0.00 C ATOM 80 CG1 ILE A 7 25.720 -15.990 -5.695 1.00 0.00 C ATOM 81 CG2 ILE A 7 24.570 -15.038 -3.677 1.00 0.00 C ATOM 82 CD1 ILE A 7 26.894 -16.913 -5.941 1.00 0.00 C ATOM 0 H ILE A 7 27.847 -14.698 -5.927 1.00 0.00 H new ATOM 0 HA ILE A 7 25.549 -13.191 -5.366 1.00 0.00 H new ATOM 0 HB ILE A 7 26.631 -15.571 -3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 7 24.813 -16.587 -5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 7 25.585 -15.347 -6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 7 24.247 -16.043 -3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 7 24.716 -14.448 -2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 7 23.809 -14.567 -4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 7 26.712 -17.502 -6.840 1.00 0.00 H new ATOM 0 HD12 ILE A 7 27.800 -16.322 -6.072 1.00 0.00 H new ATOM 0 HD13 ILE A 7 27.016 -17.581 -5.089 1.00 0.00 H new ATOM 94 N GLY A 8 26.648 -11.604 -3.666 1.00 0.00 N ATOM 95 CA GLY A 8 26.966 -10.767 -2.524 1.00 0.00 C ATOM 96 C GLY A 8 26.848 -9.290 -2.837 1.00 0.00 C ATOM 97 O GLY A 8 25.840 -8.659 -2.518 1.00 0.00 O ATOM 0 H GLY A 8 26.384 -11.095 -4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 8 26.298 -11.015 -1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 8 27.980 -10.984 -2.189 1.00 0.00 H new ATOM 101 N ALA A 9 27.880 -8.735 -3.465 1.00 0.00 N ATOM 102 CA ALA A 9 27.887 -7.322 -3.823 1.00 0.00 C ATOM 103 C ALA A 9 26.918 -7.043 -4.967 1.00 0.00 C ATOM 104 O ALA A 9 26.167 -6.068 -4.933 1.00 0.00 O ATOM 105 CB ALA A 9 29.294 -6.880 -4.199 1.00 0.00 C ATOM 0 H ALA A 9 28.722 -9.243 -3.736 1.00 0.00 H new ATOM 0 HA ALA A 9 27.559 -6.749 -2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 9 29.285 -5.823 -4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 9 29.963 -7.036 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 9 29.644 -7.464 -5.050 1.00 0.00 H new ATOM 111 N LEU A 10 26.941 -7.905 -5.977 1.00 0.00 N ATOM 112 CA LEU A 10 26.064 -7.754 -7.132 1.00 0.00 C ATOM 113 C LEU A 10 24.601 -7.872 -6.722 1.00 0.00 C ATOM 114 O LEU A 10 23.747 -7.126 -7.202 1.00 0.00 O ATOM 115 CB LEU A 10 26.392 -8.808 -8.189 1.00 0.00 C ATOM 116 CG LEU A 10 25.514 -8.765 -9.442 1.00 0.00 C ATOM 117 CD1 LEU A 10 26.065 -7.764 -10.446 1.00 0.00 C ATOM 118 CD2 LEU A 10 25.411 -10.148 -10.067 1.00 0.00 C ATOM 0 H LEU A 10 27.558 -8.716 -6.019 1.00 0.00 H new ATOM 0 HA LEU A 10 26.228 -6.762 -7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 10 27.433 -8.688 -8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 10 26.303 -9.795 -7.735 1.00 0.00 H new ATOM 0 HG LEU A 10 24.514 -8.443 -9.151 1.00 0.00 H new ATOM 0 HD11 LEU A 10 25.428 -7.747 -11.330 1.00 0.00 H new ATOM 0 HD12 LEU A 10 26.087 -6.772 -9.996 1.00 0.00 H new ATOM 0 HD13 LEU A 10 27.076 -8.055 -10.733 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.783 -10.099 -10.957 1.00 0.00 H new ATOM 0 HD22 LEU A 10 26.406 -10.497 -10.343 1.00 0.00 H new ATOM 0 HD23 LEU A 10 24.970 -10.840 -9.349 1.00 0.00 H new ATOM 130 N ALA A 11 24.318 -8.814 -5.828 1.00 0.00 N ATOM 131 CA ALA A 11 22.958 -9.032 -5.351 1.00 0.00 C ATOM 132 C ALA A 11 22.654 -8.186 -4.115 1.00 0.00 C ATOM 133 O ALA A 11 21.658 -8.416 -3.428 1.00 0.00 O ATOM 134 CB ALA A 11 22.738 -10.506 -5.046 1.00 0.00 C ATOM 0 H ALA A 11 25.013 -9.439 -5.419 1.00 0.00 H new ATOM 0 HA ALA A 11 22.274 -8.724 -6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 11 21.719 -10.656 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 11 22.897 -11.092 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 11 23.441 -10.827 -4.278 1.00 0.00 H new ATOM 140 N SER A 12 23.509 -7.205 -3.837 1.00 0.00 N ATOM 141 CA SER A 12 23.318 -6.333 -2.685 1.00 0.00 C ATOM 142 C SER A 12 22.020 -5.543 -2.816 1.00 0.00 C ATOM 143 O SER A 12 21.189 -5.540 -1.908 1.00 0.00 O ATOM 144 CB SER A 12 24.501 -5.372 -2.543 1.00 0.00 C ATOM 145 OG SER A 12 25.626 -6.029 -1.984 1.00 0.00 O ATOM 0 H SER A 12 24.338 -6.996 -4.393 1.00 0.00 H new ATOM 0 HA SER A 12 23.258 -6.956 -1.793 1.00 0.00 H new ATOM 0 HB2 SER A 12 24.762 -4.964 -3.520 1.00 0.00 H new ATOM 0 HB3 SER A 12 24.216 -4.530 -1.912 1.00 0.00 H new ATOM 0 HG SER A 12 25.499 -6.999 -2.040 1.00 0.00 H new ATOM 151 N ALA A 13 21.852 -4.876 -3.954 1.00 0.00 N ATOM 152 CA ALA A 13 20.656 -4.086 -4.207 1.00 0.00 C ATOM 153 C ALA A 13 19.420 -4.977 -4.287 1.00 0.00 C ATOM 154 O ALA A 13 18.320 -4.564 -3.919 1.00 0.00 O ATOM 155 CB ALA A 13 20.814 -3.283 -5.489 1.00 0.00 C ATOM 0 H ALA A 13 22.531 -4.868 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 13 20.523 -3.395 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 13 19.912 -2.697 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 13 21.669 -2.613 -5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 13 20.975 -3.962 -6.326 1.00 0.00 H new ATOM 161 N LEU A 14 19.611 -6.200 -4.770 1.00 0.00 N ATOM 162 CA LEU A 14 18.514 -7.152 -4.899 1.00 0.00 C ATOM 163 C LEU A 14 18.120 -7.713 -3.536 1.00 0.00 C ATOM 164 O LEU A 14 16.955 -8.033 -3.299 1.00 0.00 O ATOM 165 CB LEU A 14 18.908 -8.292 -5.839 1.00 0.00 C ATOM 166 CG LEU A 14 19.145 -7.881 -7.293 1.00 0.00 C ATOM 167 CD1 LEU A 14 20.283 -8.689 -7.898 1.00 0.00 C ATOM 168 CD2 LEU A 14 17.873 -8.055 -8.109 1.00 0.00 C ATOM 0 H LEU A 14 20.516 -6.555 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 14 17.656 -6.627 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.816 -8.760 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.125 -9.049 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 14 19.425 -6.828 -7.312 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.437 -8.383 -8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 14 21.196 -8.515 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 14 20.033 -9.749 -7.867 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.059 -7.758 -9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.564 -9.100 -8.082 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.083 -7.432 -7.689 1.00 0.00 H new ATOM 180 N ALA A 15 19.100 -7.831 -2.646 1.00 0.00 N ATOM 181 CA ALA A 15 18.856 -8.353 -1.307 1.00 0.00 C ATOM 182 C ALA A 15 17.833 -7.500 -0.564 1.00 0.00 C ATOM 183 O ALA A 15 17.029 -8.013 0.215 1.00 0.00 O ATOM 184 CB ALA A 15 20.157 -8.422 -0.522 1.00 0.00 C ATOM 0 H ALA A 15 20.070 -7.572 -2.828 1.00 0.00 H new ATOM 0 HA ALA A 15 18.450 -9.360 -1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.960 -8.814 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 15 20.858 -9.078 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 15 20.587 -7.424 -0.441 1.00 0.00 H new ATOM 190 N ASN A 16 17.869 -6.195 -0.811 1.00 0.00 N ATOM 191 CA ASN A 16 16.944 -5.269 -0.167 1.00 0.00 C ATOM 192 C ASN A 16 15.506 -5.563 -0.583 1.00 0.00 C ATOM 193 O ASN A 16 15.212 -5.724 -1.767 1.00 0.00 O ATOM 194 CB ASN A 16 17.304 -3.826 -0.522 1.00 0.00 C ATOM 195 CG ASN A 16 18.690 -3.441 -0.041 1.00 0.00 C ATOM 196 OD1 ASN A 16 18.860 -2.962 1.080 1.00 0.00 O ATOM 197 ND2 ASN A 16 19.689 -3.649 -0.890 1.00 0.00 N ATOM 0 H ASN A 16 18.529 -5.754 -1.452 1.00 0.00 H new ATOM 0 HA ASN A 16 17.027 -5.401 0.912 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.248 -3.696 -1.603 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.569 -3.152 -0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 16 20.644 -3.409 -0.623 1.00 0.00 H new ATOM 0 HD22 ASN A 16 19.502 -4.049 -1.810 1.00 0.00 H new ATOM 204 N SER A 17 14.614 -5.632 0.400 1.00 0.00 N ATOM 205 CA SER A 17 13.206 -5.906 0.135 1.00 0.00 C ATOM 206 C SER A 17 12.603 -4.827 -0.764 1.00 0.00 C ATOM 207 O SER A 17 12.421 -3.687 -0.337 1.00 0.00 O ATOM 208 CB SER A 17 12.427 -5.983 1.450 1.00 0.00 C ATOM 209 OG SER A 17 13.286 -6.284 2.536 1.00 0.00 O ATOM 0 H SER A 17 14.841 -5.502 1.386 1.00 0.00 H new ATOM 0 HA SER A 17 13.136 -6.864 -0.379 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.923 -5.034 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.652 -6.746 1.373 1.00 0.00 H new ATOM 0 HG SER A 17 12.764 -6.326 3.364 1.00 0.00 H new ATOM 215 N PRO A 18 12.279 -5.169 -2.026 1.00 0.00 N ATOM 216 CA PRO A 18 11.694 -4.214 -2.973 1.00 0.00 C ATOM 217 C PRO A 18 10.310 -3.740 -2.533 1.00 0.00 C ATOM 218 O PRO A 18 9.735 -4.271 -1.585 1.00 0.00 O ATOM 219 CB PRO A 18 11.600 -5.006 -4.280 1.00 0.00 C ATOM 220 CG PRO A 18 11.606 -6.436 -3.865 1.00 0.00 C ATOM 221 CD PRO A 18 12.455 -6.503 -2.628 1.00 0.00 C ATOM 0 HA PRO A 18 12.294 -3.308 -3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.691 -4.758 -4.827 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.440 -4.782 -4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.594 -6.788 -3.664 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.013 -7.070 -4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.125 -7.295 -1.956 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.500 -6.702 -2.867 1.00 0.00 H new ATOM 229 N PRO A 19 9.759 -2.725 -3.222 1.00 0.00 N ATOM 230 CA PRO A 19 8.438 -2.175 -2.898 1.00 0.00 C ATOM 231 C PRO A 19 7.324 -3.210 -3.026 1.00 0.00 C ATOM 232 O PRO A 19 6.381 -3.218 -2.236 1.00 0.00 O ATOM 233 CB PRO A 19 8.246 -1.054 -3.929 1.00 0.00 C ATOM 234 CG PRO A 19 9.210 -1.361 -5.023 1.00 0.00 C ATOM 235 CD PRO A 19 10.378 -2.034 -4.365 1.00 0.00 C ATOM 0 HA PRO A 19 8.390 -1.833 -1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.222 -1.032 -4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.446 -0.077 -3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.757 -2.010 -5.772 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.522 -0.451 -5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.874 -2.733 -5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.130 -1.314 -4.043 1.00 0.00 H new ATOM 243 N GLU A 20 7.436 -4.079 -4.026 1.00 0.00 N ATOM 244 CA GLU A 20 6.431 -5.114 -4.254 1.00 0.00 C ATOM 245 C GLU A 20 6.451 -6.153 -3.138 1.00 0.00 C ATOM 246 O GLU A 20 5.399 -6.639 -2.702 1.00 0.00 O ATOM 247 CB GLU A 20 6.669 -5.795 -5.604 1.00 0.00 C ATOM 248 CG GLU A 20 8.089 -6.304 -5.786 1.00 0.00 C ATOM 249 CD GLU A 20 8.230 -7.221 -6.984 1.00 0.00 C ATOM 250 OE1 GLU A 20 7.285 -7.991 -7.257 1.00 0.00 O ATOM 251 OE2 GLU A 20 9.285 -7.171 -7.651 1.00 0.00 O ATOM 0 H GLU A 20 8.210 -4.088 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 20 5.451 -4.636 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.976 -6.630 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.439 -5.090 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.763 -5.455 -5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.398 -6.837 -4.887 1.00 0.00 H new ATOM 258 N THR A 21 7.652 -6.491 -2.673 1.00 0.00 N ATOM 259 CA THR A 21 7.796 -7.474 -1.608 1.00 0.00 C ATOM 260 C THR A 21 7.136 -6.962 -0.344 1.00 0.00 C ATOM 261 O THR A 21 6.340 -7.662 0.282 1.00 0.00 O ATOM 262 CB THR A 21 9.275 -7.782 -1.354 1.00 0.00 C ATOM 263 OG1 THR A 21 9.836 -8.473 -2.456 1.00 0.00 O ATOM 264 CG2 THR A 21 9.514 -8.622 -0.117 1.00 0.00 C ATOM 0 H THR A 21 8.530 -6.101 -3.015 1.00 0.00 H new ATOM 0 HA THR A 21 7.305 -8.398 -1.914 1.00 0.00 H new ATOM 0 HB THR A 21 9.750 -6.812 -1.208 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.279 -8.331 -3.249 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.583 -8.801 0.000 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.136 -8.095 0.759 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.996 -9.575 -0.219 1.00 0.00 H new ATOM 272 N GLN A 22 7.430 -5.721 -0.001 1.00 0.00 N ATOM 273 CA GLN A 22 6.813 -5.105 1.160 1.00 0.00 C ATOM 274 C GLN A 22 5.350 -4.884 0.869 1.00 0.00 C ATOM 275 O GLN A 22 4.492 -5.157 1.704 1.00 0.00 O ATOM 276 CB GLN A 22 7.449 -3.761 1.516 1.00 0.00 C ATOM 277 CG GLN A 22 6.598 -2.935 2.485 1.00 0.00 C ATOM 278 CD GLN A 22 5.480 -2.161 1.792 1.00 0.00 C ATOM 279 OE1 GLN A 22 5.741 -1.183 1.094 1.00 0.00 O ATOM 280 NE2 GLN A 22 4.223 -2.594 1.974 1.00 0.00 N ATOM 0 H GLN A 22 8.086 -5.124 -0.505 1.00 0.00 H new ATOM 0 HA GLN A 22 6.957 -5.776 2.007 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.429 -3.935 1.960 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.610 -3.188 0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.163 -3.598 3.233 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.241 -2.234 3.017 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.044 -3.409 2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.446 -2.108 1.526 1.00 0.00 H new ATOM 289 N ARG A 23 5.086 -4.352 -0.326 1.00 0.00 N ATOM 290 CA ARG A 23 3.740 -4.044 -0.765 1.00 0.00 C ATOM 291 C ARG A 23 2.710 -4.837 0.022 1.00 0.00 C ATOM 292 O ARG A 23 2.208 -4.376 1.039 1.00 0.00 O ATOM 293 CB ARG A 23 3.591 -4.308 -2.265 1.00 0.00 C ATOM 294 CG ARG A 23 2.181 -4.079 -2.772 1.00 0.00 C ATOM 295 CD ARG A 23 1.581 -5.349 -3.352 1.00 0.00 C ATOM 296 NE ARG A 23 0.860 -5.100 -4.598 1.00 0.00 N ATOM 297 CZ ARG A 23 1.431 -5.107 -5.802 1.00 0.00 C ATOM 298 NH1 ARG A 23 2.732 -5.337 -5.931 1.00 0.00 N ATOM 299 NH2 ARG A 23 0.696 -4.880 -6.883 1.00 0.00 N ATOM 0 H ARG A 23 5.807 -4.125 -1.011 1.00 0.00 H new ATOM 0 HA ARG A 23 3.560 -2.985 -0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.277 -3.661 -2.812 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.885 -5.336 -2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.554 -3.720 -1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.190 -3.299 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.375 -6.074 -3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.902 -5.793 -2.624 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.141 -4.909 -4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.304 -5.510 -5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.160 -5.340 -6.857 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.304 -4.701 -6.791 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.131 -4.885 -7.806 1.00 0.00 H new ATOM 313 N MET A 24 2.418 -6.037 -0.434 1.00 0.00 N ATOM 314 CA MET A 24 1.455 -6.875 0.253 1.00 0.00 C ATOM 315 C MET A 24 1.891 -7.156 1.691 1.00 0.00 C ATOM 316 O MET A 24 1.054 -7.276 2.581 1.00 0.00 O ATOM 317 CB MET A 24 1.243 -8.186 -0.503 1.00 0.00 C ATOM 318 CG MET A 24 -0.015 -8.931 -0.087 1.00 0.00 C ATOM 319 SD MET A 24 -0.471 -10.228 -1.254 1.00 0.00 S ATOM 320 CE MET A 24 -0.959 -9.251 -2.673 1.00 0.00 C ATOM 0 H MET A 24 2.829 -6.452 -1.270 1.00 0.00 H new ATOM 0 HA MET A 24 0.509 -6.334 0.286 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.194 -7.976 -1.571 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.107 -8.831 -0.344 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.137 -9.371 0.898 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.839 -8.223 0.004 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.963 -9.538 -2.984 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.950 -8.194 -2.408 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.262 -9.426 -3.492 1.00 0.00 H new ATOM 330 N MET A 25 3.199 -7.291 1.914 1.00 0.00 N ATOM 331 CA MET A 25 3.706 -7.591 3.252 1.00 0.00 C ATOM 332 C MET A 25 3.263 -6.547 4.283 1.00 0.00 C ATOM 333 O MET A 25 2.697 -6.910 5.314 1.00 0.00 O ATOM 334 CB MET A 25 5.233 -7.681 3.224 1.00 0.00 C ATOM 335 CG MET A 25 5.757 -9.108 3.207 1.00 0.00 C ATOM 336 SD MET A 25 5.561 -9.937 4.796 1.00 0.00 S ATOM 337 CE MET A 25 4.999 -11.554 4.267 1.00 0.00 C ATOM 0 H MET A 25 3.917 -7.199 1.196 1.00 0.00 H new ATOM 0 HA MET A 25 3.286 -8.550 3.554 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.604 -7.156 2.344 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.635 -7.165 4.096 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.232 -9.675 2.438 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.812 -9.101 2.933 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.833 -12.185 5.140 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.067 -11.451 3.711 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.755 -12.011 3.628 1.00 0.00 H new ATOM 347 N LEU A 26 3.479 -5.255 4.010 1.00 0.00 N ATOM 348 CA LEU A 26 3.033 -4.229 4.953 1.00 0.00 C ATOM 349 C LEU A 26 1.519 -4.188 4.944 1.00 0.00 C ATOM 350 O LEU A 26 0.887 -4.241 5.993 1.00 0.00 O ATOM 351 CB LEU A 26 3.609 -2.847 4.635 1.00 0.00 C ATOM 352 CG LEU A 26 3.683 -1.889 5.825 1.00 0.00 C ATOM 353 CD1 LEU A 26 4.739 -2.351 6.817 1.00 0.00 C ATOM 354 CD2 LEU A 26 3.977 -0.473 5.350 1.00 0.00 C ATOM 0 H LEU A 26 3.944 -4.905 3.172 1.00 0.00 H new ATOM 0 HA LEU A 26 3.401 -4.493 5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.612 -2.973 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.002 -2.388 3.855 1.00 0.00 H new ATOM 0 HG LEU A 26 2.717 -1.889 6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.777 -1.657 7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.486 -3.347 7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.712 -2.380 6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.026 0.196 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.931 -0.457 4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.185 -0.143 4.678 1.00 0.00 H new ATOM 366 N GLY A 27 0.930 -4.136 3.743 1.00 0.00 N ATOM 367 CA GLY A 27 -0.491 -4.136 3.628 1.00 0.00 C ATOM 368 C GLY A 27 -1.075 -5.331 4.343 1.00 0.00 C ATOM 369 O GLY A 27 -2.183 -5.279 4.845 1.00 0.00 O ATOM 0 H GLY A 27 1.432 -4.094 2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.897 -3.217 4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.778 -4.157 2.577 1.00 0.00 H new ATOM 373 N GLU A 28 -0.318 -6.405 4.444 1.00 0.00 N ATOM 374 CA GLU A 28 -0.809 -7.562 5.159 1.00 0.00 C ATOM 375 C GLU A 28 -1.188 -7.143 6.578 1.00 0.00 C ATOM 376 O GLU A 28 -2.267 -7.474 7.072 1.00 0.00 O ATOM 377 CB GLU A 28 0.252 -8.665 5.192 1.00 0.00 C ATOM 378 CG GLU A 28 -0.255 -10.011 4.700 1.00 0.00 C ATOM 379 CD GLU A 28 -0.508 -10.988 5.831 1.00 0.00 C ATOM 380 OE1 GLU A 28 -1.203 -10.611 6.798 1.00 0.00 O ATOM 381 OE2 GLU A 28 -0.009 -12.131 5.750 1.00 0.00 O ATOM 0 H GLU A 28 0.618 -6.500 4.050 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.687 -7.958 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.101 -8.360 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.618 -8.775 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.178 -9.864 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.473 -10.439 4.011 1.00 0.00 H new ATOM 388 N ASN A 29 -0.294 -6.387 7.216 1.00 0.00 N ATOM 389 CA ASN A 29 -0.529 -5.913 8.580 1.00 0.00 C ATOM 390 C ASN A 29 -1.118 -4.501 8.616 1.00 0.00 C ATOM 391 O ASN A 29 -2.064 -4.229 9.357 1.00 0.00 O ATOM 392 CB ASN A 29 0.776 -5.946 9.378 1.00 0.00 C ATOM 393 CG ASN A 29 0.542 -5.873 10.874 1.00 0.00 C ATOM 394 OD1 ASN A 29 -0.578 -5.639 11.328 1.00 0.00 O ATOM 395 ND2 ASN A 29 1.601 -6.075 11.649 1.00 0.00 N ATOM 0 H ASN A 29 0.595 -6.091 6.813 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.260 -6.584 9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.319 -6.861 9.142 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.407 -5.112 9.071 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.505 -6.039 12.664 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.511 -6.266 11.230 1.00 0.00 H new ATOM 402 N LEU A 30 -0.546 -3.597 7.838 1.00 0.00 N ATOM 403 CA LEU A 30 -1.020 -2.223 7.825 1.00 0.00 C ATOM 404 C LEU A 30 -2.219 -2.028 6.886 1.00 0.00 C ATOM 405 O LEU A 30 -3.071 -1.194 7.163 1.00 0.00 O ATOM 406 CB LEU A 30 0.126 -1.265 7.490 1.00 0.00 C ATOM 407 CG LEU A 30 0.904 -0.750 8.702 1.00 0.00 C ATOM 408 CD1 LEU A 30 -0.023 -0.019 9.661 1.00 0.00 C ATOM 409 CD2 LEU A 30 1.608 -1.899 9.409 1.00 0.00 C ATOM 0 H LEU A 30 0.238 -3.786 7.214 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.378 -1.988 8.827 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.820 -1.771 6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.279 -0.412 6.946 1.00 0.00 H new ATOM 0 HG LEU A 30 1.659 -0.046 8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.549 0.340 10.517 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.481 0.828 9.150 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.802 -0.700 10.005 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.157 -1.515 10.269 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.869 -2.627 9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.303 -2.379 8.720 1.00 0.00 H new ATOM 421 N TYR A 31 -2.319 -2.808 5.797 1.00 0.00 N ATOM 422 CA TYR A 31 -3.469 -2.684 4.895 1.00 0.00 C ATOM 423 C TYR A 31 -4.734 -3.008 5.665 1.00 0.00 C ATOM 424 O TYR A 31 -5.704 -2.273 5.568 1.00 0.00 O ATOM 425 CB TYR A 31 -3.351 -3.560 3.634 1.00 0.00 C ATOM 426 CG TYR A 31 -4.665 -4.020 3.035 1.00 0.00 C ATOM 427 CD1 TYR A 31 -5.518 -3.132 2.395 1.00 0.00 C ATOM 428 CD2 TYR A 31 -5.039 -5.357 3.102 1.00 0.00 C ATOM 429 CE1 TYR A 31 -6.708 -3.562 1.841 1.00 0.00 C ATOM 430 CE2 TYR A 31 -6.226 -5.795 2.548 1.00 0.00 C ATOM 431 CZ TYR A 31 -7.057 -4.896 1.919 1.00 0.00 C ATOM 432 OH TYR A 31 -8.243 -5.330 1.369 1.00 0.00 O ATOM 0 H TYR A 31 -1.634 -3.514 5.526 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.500 -1.656 4.535 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.801 -3.003 2.876 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.755 -4.439 3.878 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.247 -2.089 2.329 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.390 -6.065 3.596 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.363 -2.858 1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.501 -6.838 2.608 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.990 -5.044 1.935 1.00 0.00 H new ATOM 442 N PRO A 32 -4.767 -4.069 6.501 1.00 0.00 N ATOM 443 CA PRO A 32 -5.958 -4.323 7.280 1.00 0.00 C ATOM 444 C PRO A 32 -6.251 -3.087 8.111 1.00 0.00 C ATOM 445 O PRO A 32 -7.411 -2.744 8.342 1.00 0.00 O ATOM 446 CB PRO A 32 -5.599 -5.519 8.166 1.00 0.00 C ATOM 447 CG PRO A 32 -4.115 -5.569 8.150 1.00 0.00 C ATOM 448 CD PRO A 32 -3.699 -5.032 6.808 1.00 0.00 C ATOM 0 HA PRO A 32 -6.842 -4.536 6.680 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.980 -5.390 9.179 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.030 -6.442 7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.695 -4.970 8.958 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.757 -6.589 8.291 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.721 -4.553 6.849 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.636 -5.820 6.058 1.00 0.00 H new ATOM 456 N LEU A 33 -5.182 -2.385 8.526 1.00 0.00 N ATOM 457 CA LEU A 33 -5.363 -1.163 9.282 1.00 0.00 C ATOM 458 C LEU A 33 -5.778 -0.029 8.353 1.00 0.00 C ATOM 459 O LEU A 33 -6.743 0.685 8.628 1.00 0.00 O ATOM 460 CB LEU A 33 -4.073 -0.795 10.021 1.00 0.00 C ATOM 461 CG LEU A 33 -4.271 -0.230 11.428 1.00 0.00 C ATOM 462 CD1 LEU A 33 -5.159 1.004 11.388 1.00 0.00 C ATOM 463 CD2 LEU A 33 -4.866 -1.286 12.347 1.00 0.00 C ATOM 0 H LEU A 33 -4.212 -2.645 8.350 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.151 -1.323 10.018 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.445 -1.683 10.088 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.528 -0.063 9.426 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.297 0.061 11.822 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.289 1.392 12.398 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.694 1.767 10.763 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.132 0.739 10.974 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.000 -0.867 13.344 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.831 -1.607 11.955 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.194 -2.142 12.401 1.00 0.00 H new ATOM 475 N VAL A 34 -5.062 0.121 7.230 1.00 0.00 N ATOM 476 CA VAL A 34 -5.405 1.155 6.271 1.00 0.00 C ATOM 477 C VAL A 34 -6.606 0.754 5.448 1.00 0.00 C ATOM 478 O VAL A 34 -7.582 1.498 5.373 1.00 0.00 O ATOM 479 CB VAL A 34 -4.216 1.539 5.395 1.00 0.00 C ATOM 480 CG1 VAL A 34 -4.662 2.436 4.246 1.00 0.00 C ATOM 481 CG2 VAL A 34 -3.185 2.235 6.275 1.00 0.00 C ATOM 0 H VAL A 34 -4.259 -0.453 6.975 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.676 2.048 6.834 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.773 0.649 4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.799 2.698 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.394 1.908 3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.112 3.344 4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.324 2.520 5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.628 3.127 6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.865 1.557 7.066 1.00 0.00 H new ATOM 491 N ASP A 35 -6.546 -0.453 4.878 1.00 0.00 N ATOM 492 CA ASP A 35 -7.666 -1.010 4.096 1.00 0.00 C ATOM 493 C ASP A 35 -8.705 0.053 3.738 1.00 0.00 C ATOM 494 O ASP A 35 -8.681 0.627 2.655 1.00 0.00 O ATOM 495 CB ASP A 35 -8.339 -2.139 4.899 1.00 0.00 C ATOM 496 CG ASP A 35 -8.093 -3.513 4.315 1.00 0.00 C ATOM 497 OD1 ASP A 35 -6.990 -4.059 4.521 1.00 0.00 O ATOM 498 OD2 ASP A 35 -9.005 -4.046 3.650 1.00 0.00 O ATOM 0 H ASP A 35 -5.735 -1.068 4.941 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.258 -1.398 3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.971 -2.116 5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.413 -1.956 4.941 1.00 0.00 H new ATOM 503 N GLN A 36 -9.585 0.292 4.700 1.00 0.00 N ATOM 504 CA GLN A 36 -10.667 1.266 4.635 1.00 0.00 C ATOM 505 C GLN A 36 -11.909 0.721 3.925 1.00 0.00 C ATOM 506 O GLN A 36 -12.948 1.382 3.891 1.00 0.00 O ATOM 507 CB GLN A 36 -10.189 2.545 3.979 1.00 0.00 C ATOM 508 CG GLN A 36 -10.390 2.551 2.490 1.00 0.00 C ATOM 509 CD GLN A 36 -9.511 3.563 1.791 1.00 0.00 C ATOM 510 OE1 GLN A 36 -9.965 4.654 1.450 1.00 0.00 O ATOM 511 NE2 GLN A 36 -8.243 3.219 1.588 1.00 0.00 N ATOM 0 H GLN A 36 -9.564 -0.210 5.588 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.964 1.483 5.661 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.720 3.391 4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.131 2.686 4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.180 1.557 2.094 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.435 2.768 2.269 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.909 2.303 1.887 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.604 3.871 1.133 1.00 0.00 H new ATOM 520 N LEU A 37 -11.805 -0.477 3.362 1.00 0.00 N ATOM 521 CA LEU A 37 -12.930 -1.088 2.660 1.00 0.00 C ATOM 522 C LEU A 37 -12.750 -2.600 2.574 1.00 0.00 C ATOM 523 O LEU A 37 -11.929 -3.178 3.287 1.00 0.00 O ATOM 524 CB LEU A 37 -13.050 -0.500 1.248 1.00 0.00 C ATOM 525 CG LEU A 37 -13.550 0.942 1.176 1.00 0.00 C ATOM 526 CD1 LEU A 37 -13.631 1.398 -0.274 1.00 0.00 C ATOM 527 CD2 LEU A 37 -14.904 1.073 1.861 1.00 0.00 C ATOM 0 H LEU A 37 -10.957 -1.044 3.377 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.842 -0.875 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.073 -0.552 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.724 -1.129 0.667 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.842 1.584 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.989 2.427 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.642 1.340 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.320 0.754 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.244 2.107 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.626 0.423 1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.812 0.783 2.908 1.00 0.00 H new ATOM 539 N GLU A 38 -13.504 -3.234 1.680 1.00 0.00 N ATOM 540 CA GLU A 38 -13.406 -4.670 1.483 1.00 0.00 C ATOM 541 C GLU A 38 -12.374 -4.981 0.402 1.00 0.00 C ATOM 542 O GLU A 38 -12.187 -4.201 -0.530 1.00 0.00 O ATOM 543 CB GLU A 38 -14.768 -5.249 1.092 1.00 0.00 C ATOM 544 CG GLU A 38 -15.918 -4.724 1.935 1.00 0.00 C ATOM 545 CD GLU A 38 -17.264 -4.900 1.260 1.00 0.00 C ATOM 546 OE1 GLU A 38 -17.302 -4.933 0.012 1.00 0.00 O ATOM 547 OE2 GLU A 38 -18.280 -5.006 1.979 1.00 0.00 O ATOM 0 H GLU A 38 -14.189 -2.772 1.082 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.088 -5.129 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -14.963 -5.021 0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.730 -6.335 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.926 -5.242 2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -15.757 -3.667 2.145 1.00 0.00 H new ATOM 554 N HIS A 39 -11.704 -6.122 0.547 1.00 0.00 N ATOM 555 CA HIS A 39 -10.671 -6.565 -0.397 1.00 0.00 C ATOM 556 C HIS A 39 -10.961 -6.131 -1.838 1.00 0.00 C ATOM 557 O HIS A 39 -10.037 -5.851 -2.601 1.00 0.00 O ATOM 558 CB HIS A 39 -10.529 -8.086 -0.340 1.00 0.00 C ATOM 559 CG HIS A 39 -11.760 -8.819 -0.777 1.00 0.00 C ATOM 560 ND1 HIS A 39 -11.763 -9.739 -1.803 1.00 0.00 N ATOM 561 CD2 HIS A 39 -13.034 -8.765 -0.319 1.00 0.00 C ATOM 562 CE1 HIS A 39 -12.984 -10.218 -1.961 1.00 0.00 C ATOM 563 NE2 HIS A 39 -13.773 -9.645 -1.072 1.00 0.00 N ATOM 0 H HIS A 39 -11.859 -6.768 1.321 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.739 -6.087 -0.094 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.693 -8.389 -0.970 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.283 -8.382 0.680 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -13.400 -8.146 0.487 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -13.285 -10.953 -2.693 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -14.771 -9.826 -0.962 1.00 0.00 H new ATOM 571 N ASP A 40 -12.242 -6.081 -2.206 1.00 0.00 N ATOM 572 CA ASP A 40 -12.646 -5.684 -3.556 1.00 0.00 C ATOM 573 C ASP A 40 -11.812 -4.507 -4.068 1.00 0.00 C ATOM 574 O ASP A 40 -10.892 -4.687 -4.865 1.00 0.00 O ATOM 575 CB ASP A 40 -14.131 -5.319 -3.578 1.00 0.00 C ATOM 576 CG ASP A 40 -15.014 -6.506 -3.908 1.00 0.00 C ATOM 577 OD1 ASP A 40 -14.579 -7.653 -3.676 1.00 0.00 O ATOM 578 OD2 ASP A 40 -16.141 -6.289 -4.401 1.00 0.00 O ATOM 0 H ASP A 40 -13.019 -6.311 -1.587 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.473 -6.533 -4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.417 -4.916 -2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.298 -4.531 -4.312 1.00 0.00 H new ATOM 583 N GLN A 41 -12.135 -3.305 -3.599 1.00 0.00 N ATOM 584 CA GLN A 41 -11.410 -2.105 -4.004 1.00 0.00 C ATOM 585 C GLN A 41 -10.478 -1.634 -2.889 1.00 0.00 C ATOM 586 O GLN A 41 -9.575 -0.830 -3.118 1.00 0.00 O ATOM 587 CB GLN A 41 -12.390 -0.989 -4.367 1.00 0.00 C ATOM 588 CG GLN A 41 -13.256 -0.537 -3.201 1.00 0.00 C ATOM 589 CD GLN A 41 -14.739 -0.614 -3.509 1.00 0.00 C ATOM 590 OE1 GLN A 41 -15.379 0.397 -3.794 1.00 0.00 O ATOM 591 NE2 GLN A 41 -15.292 -1.820 -3.450 1.00 0.00 N ATOM 0 H GLN A 41 -12.894 -3.136 -2.938 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.810 -2.351 -4.880 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.830 -0.134 -4.746 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -13.035 -1.332 -5.176 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -13.037 -1.155 -2.330 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -12.997 0.488 -2.937 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -14.722 -2.631 -3.209 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -16.286 -1.935 -3.645 1.00 0.00 H new ATOM 600 N ALA A 42 -10.711 -2.141 -1.684 1.00 0.00 N ATOM 601 CA ALA A 42 -9.909 -1.784 -0.522 1.00 0.00 C ATOM 602 C ALA A 42 -8.454 -2.191 -0.699 1.00 0.00 C ATOM 603 O ALA A 42 -7.539 -1.433 -0.379 1.00 0.00 O ATOM 604 CB ALA A 42 -10.486 -2.457 0.708 1.00 0.00 C ATOM 0 H ALA A 42 -11.457 -2.808 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.938 -0.701 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.889 -2.193 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.513 -2.124 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.471 -3.538 0.572 1.00 0.00 H new ATOM 610 N ALA A 43 -8.251 -3.401 -1.201 1.00 0.00 N ATOM 611 CA ALA A 43 -6.912 -3.928 -1.412 1.00 0.00 C ATOM 612 C ALA A 43 -6.190 -3.184 -2.522 1.00 0.00 C ATOM 613 O ALA A 43 -4.965 -3.055 -2.501 1.00 0.00 O ATOM 614 CB ALA A 43 -6.977 -5.415 -1.729 1.00 0.00 C ATOM 0 H ALA A 43 -9.001 -4.038 -1.470 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.346 -3.783 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.969 -5.798 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.442 -5.944 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.567 -5.569 -2.632 1.00 0.00 H new ATOM 620 N LYS A 44 -6.944 -2.719 -3.507 1.00 0.00 N ATOM 621 CA LYS A 44 -6.354 -2.019 -4.636 1.00 0.00 C ATOM 622 C LYS A 44 -5.815 -0.638 -4.260 1.00 0.00 C ATOM 623 O LYS A 44 -4.695 -0.305 -4.606 1.00 0.00 O ATOM 624 CB LYS A 44 -7.379 -1.881 -5.760 1.00 0.00 C ATOM 625 CG LYS A 44 -8.049 -3.192 -6.136 1.00 0.00 C ATOM 626 CD LYS A 44 -8.254 -3.304 -7.638 1.00 0.00 C ATOM 627 CE LYS A 44 -6.928 -3.407 -8.376 1.00 0.00 C ATOM 628 NZ LYS A 44 -6.524 -2.107 -8.978 1.00 0.00 N ATOM 0 H LYS A 44 -7.959 -2.813 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.507 -2.617 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.144 -1.165 -5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.887 -1.468 -6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.439 -4.026 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.011 -3.268 -5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.863 -4.180 -7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.805 -2.434 -7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.154 -3.743 -7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.006 -4.161 -9.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.502 -2.196 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.209 -1.372 -8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.579 -1.843 -8.633 1.00 0.00 H new ATOM 642 N VAL A 45 -6.607 0.186 -3.590 1.00 0.00 N ATOM 643 CA VAL A 45 -6.145 1.528 -3.247 1.00 0.00 C ATOM 644 C VAL A 45 -5.079 1.565 -2.140 1.00 0.00 C ATOM 645 O VAL A 45 -4.037 2.202 -2.303 1.00 0.00 O ATOM 646 CB VAL A 45 -7.339 2.424 -2.834 1.00 0.00 C ATOM 647 CG1 VAL A 45 -8.484 2.257 -3.816 1.00 0.00 C ATOM 648 CG2 VAL A 45 -7.816 2.112 -1.422 1.00 0.00 C ATOM 0 H VAL A 45 -7.551 -0.040 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.671 1.909 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.995 3.458 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.317 2.892 -3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.152 2.543 -4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.806 1.216 -3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.654 2.761 -1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.134 1.071 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.002 2.280 -0.717 1.00 0.00 H new ATOM 658 N THR A 46 -5.351 0.921 -1.007 1.00 0.00 N ATOM 659 CA THR A 46 -4.419 0.943 0.121 1.00 0.00 C ATOM 660 C THR A 46 -3.148 0.131 -0.090 1.00 0.00 C ATOM 661 O THR A 46 -2.040 0.629 0.112 1.00 0.00 O ATOM 662 CB THR A 46 -5.149 0.422 1.365 1.00 0.00 C ATOM 663 OG1 THR A 46 -6.107 1.364 1.811 1.00 0.00 O ATOM 664 CG2 THR A 46 -4.237 0.113 2.535 1.00 0.00 C ATOM 0 H THR A 46 -6.201 0.381 -0.845 1.00 0.00 H new ATOM 0 HA THR A 46 -4.095 1.977 0.235 1.00 0.00 H new ATOM 0 HB THR A 46 -5.615 -0.509 1.044 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.871 0.893 2.204 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.831 -0.250 3.374 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.517 -0.651 2.243 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.706 1.018 2.831 1.00 0.00 H new ATOM 672 N GLY A 47 -3.317 -1.130 -0.446 1.00 0.00 N ATOM 673 CA GLY A 47 -2.177 -2.002 -0.619 1.00 0.00 C ATOM 674 C GLY A 47 -1.390 -1.818 -1.917 1.00 0.00 C ATOM 675 O GLY A 47 -0.205 -2.141 -1.963 1.00 0.00 O ATOM 0 H GLY A 47 -4.223 -1.566 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.498 -1.852 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.522 -3.035 -0.569 1.00 0.00 H new ATOM 679 N MET A 48 -2.032 -1.327 -2.981 1.00 0.00 N ATOM 680 CA MET A 48 -1.336 -1.149 -4.262 1.00 0.00 C ATOM 681 C MET A 48 -0.276 -0.067 -4.167 1.00 0.00 C ATOM 682 O MET A 48 0.862 -0.260 -4.595 1.00 0.00 O ATOM 683 CB MET A 48 -2.311 -0.801 -5.385 1.00 0.00 C ATOM 684 CG MET A 48 -3.124 -1.990 -5.873 1.00 0.00 C ATOM 685 SD MET A 48 -2.269 -2.940 -7.144 1.00 0.00 S ATOM 686 CE MET A 48 -3.601 -3.974 -7.748 1.00 0.00 C ATOM 0 H MET A 48 -3.014 -1.050 -2.985 1.00 0.00 H new ATOM 0 HA MET A 48 -0.856 -2.100 -4.494 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.992 -0.024 -5.037 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.753 -0.384 -6.223 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.351 -2.641 -5.029 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.076 -1.637 -6.268 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.189 -4.899 -8.152 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.281 -4.207 -6.928 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.145 -3.446 -8.531 1.00 0.00 H new ATOM 696 N LEU A 49 -0.649 1.071 -3.597 1.00 0.00 N ATOM 697 CA LEU A 49 0.281 2.179 -3.442 1.00 0.00 C ATOM 698 C LEU A 49 1.500 1.756 -2.637 1.00 0.00 C ATOM 699 O LEU A 49 2.522 2.441 -2.634 1.00 0.00 O ATOM 700 CB LEU A 49 -0.393 3.377 -2.778 1.00 0.00 C ATOM 701 CG LEU A 49 -1.135 4.316 -3.730 1.00 0.00 C ATOM 702 CD1 LEU A 49 -0.335 4.540 -5.005 1.00 0.00 C ATOM 703 CD2 LEU A 49 -2.516 3.767 -4.056 1.00 0.00 C ATOM 0 H LEU A 49 -1.586 1.250 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 49 0.606 2.475 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.098 3.010 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.365 3.951 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.255 5.278 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.884 5.211 -5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.629 4.984 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.176 3.586 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.028 4.449 -4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.417 2.790 -4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.094 3.667 -3.137 1.00 0.00 H new ATOM 715 N LEU A 50 1.379 0.635 -1.940 1.00 0.00 N ATOM 716 CA LEU A 50 2.460 0.135 -1.116 1.00 0.00 C ATOM 717 C LEU A 50 3.748 -0.042 -1.925 1.00 0.00 C ATOM 718 O LEU A 50 4.841 -0.078 -1.362 1.00 0.00 O ATOM 719 CB LEU A 50 2.053 -1.188 -0.490 1.00 0.00 C ATOM 720 CG LEU A 50 0.835 -1.098 0.418 1.00 0.00 C ATOM 721 CD1 LEU A 50 0.578 -2.426 1.118 1.00 0.00 C ATOM 722 CD2 LEU A 50 1.026 0.015 1.434 1.00 0.00 C ATOM 0 H LEU A 50 0.539 0.056 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 50 2.658 0.867 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.848 -1.906 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.893 -1.579 0.084 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.037 -0.870 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.298 -2.335 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.402 -3.202 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.445 -2.693 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.150 0.072 2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.909 -0.192 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.156 0.964 0.914 1.00 0.00 H new ATOM 734 N GLU A 51 3.618 -0.141 -3.247 1.00 0.00 N ATOM 735 CA GLU A 51 4.785 -0.294 -4.112 1.00 0.00 C ATOM 736 C GLU A 51 4.784 0.732 -5.247 1.00 0.00 C ATOM 737 O GLU A 51 5.773 0.866 -5.968 1.00 0.00 O ATOM 738 CB GLU A 51 4.857 -1.709 -4.691 1.00 0.00 C ATOM 739 CG GLU A 51 3.539 -2.218 -5.245 1.00 0.00 C ATOM 740 CD GLU A 51 3.356 -1.885 -6.713 1.00 0.00 C ATOM 741 OE1 GLU A 51 4.274 -2.180 -7.507 1.00 0.00 O ATOM 742 OE2 GLU A 51 2.295 -1.331 -7.069 1.00 0.00 O ATOM 0 H GLU A 51 2.724 -0.118 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 51 5.666 -0.119 -3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.604 -1.728 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.200 -2.391 -3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.486 -3.299 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.718 -1.786 -4.673 1.00 0.00 H new ATOM 749 N MET A 52 3.678 1.460 -5.403 1.00 0.00 N ATOM 750 CA MET A 52 3.579 2.469 -6.451 1.00 0.00 C ATOM 751 C MET A 52 4.539 3.621 -6.176 1.00 0.00 C ATOM 752 O MET A 52 5.581 3.738 -6.819 1.00 0.00 O ATOM 753 CB MET A 52 2.147 2.993 -6.559 1.00 0.00 C ATOM 754 CG MET A 52 1.146 1.943 -7.014 1.00 0.00 C ATOM 755 SD MET A 52 -0.150 2.626 -8.063 1.00 0.00 S ATOM 756 CE MET A 52 0.422 2.121 -9.683 1.00 0.00 C ATOM 0 H MET A 52 2.846 1.369 -4.821 1.00 0.00 H new ATOM 0 HA MET A 52 3.852 2.004 -7.398 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.837 3.381 -5.589 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.127 3.829 -7.258 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.671 1.158 -7.557 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.692 1.477 -6.140 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.278 2.471 -10.442 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.406 2.550 -9.872 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.487 1.034 -9.723 1.00 0.00 H new ATOM 766 N ASP A 53 4.186 4.468 -5.211 1.00 0.00 N ATOM 767 CA ASP A 53 5.033 5.605 -4.856 1.00 0.00 C ATOM 768 C ASP A 53 5.530 5.479 -3.421 1.00 0.00 C ATOM 769 O ASP A 53 4.763 5.148 -2.521 1.00 0.00 O ATOM 770 CB ASP A 53 4.268 6.915 -5.031 1.00 0.00 C ATOM 771 CG ASP A 53 4.427 7.498 -6.421 1.00 0.00 C ATOM 772 OD1 ASP A 53 5.547 7.428 -6.969 1.00 0.00 O ATOM 773 OD2 ASP A 53 3.434 8.027 -6.961 1.00 0.00 O ATOM 0 H ASP A 53 3.328 4.390 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 53 5.895 5.608 -5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.210 6.744 -4.831 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.619 7.638 -4.295 1.00 0.00 H new ATOM 778 N GLN A 54 6.821 5.743 -3.217 1.00 0.00 N ATOM 779 CA GLN A 54 7.427 5.652 -1.888 1.00 0.00 C ATOM 780 C GLN A 54 6.664 6.499 -0.872 1.00 0.00 C ATOM 781 O GLN A 54 6.437 6.076 0.262 1.00 0.00 O ATOM 782 CB GLN A 54 8.891 6.094 -1.942 1.00 0.00 C ATOM 783 CG GLN A 54 9.610 5.978 -0.609 1.00 0.00 C ATOM 784 CD GLN A 54 11.026 6.518 -0.662 1.00 0.00 C ATOM 785 OE1 GLN A 54 11.784 6.217 -1.583 1.00 0.00 O ATOM 786 NE2 GLN A 54 11.390 7.322 0.332 1.00 0.00 N ATOM 0 H GLN A 54 7.467 6.022 -3.955 1.00 0.00 H new ATOM 0 HA GLN A 54 7.378 4.611 -1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.417 5.492 -2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.937 7.129 -2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.047 6.519 0.152 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.635 4.932 -0.304 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.729 7.545 1.076 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.331 7.716 0.351 1.00 0.00 H new ATOM 795 N THR A 55 6.264 7.692 -1.284 1.00 0.00 N ATOM 796 CA THR A 55 5.517 8.588 -0.417 1.00 0.00 C ATOM 797 C THR A 55 4.114 8.041 -0.185 1.00 0.00 C ATOM 798 O THR A 55 3.562 8.155 0.910 1.00 0.00 O ATOM 799 CB THR A 55 5.441 9.988 -1.032 1.00 0.00 C ATOM 800 OG1 THR A 55 4.610 10.832 -0.255 1.00 0.00 O ATOM 801 CG2 THR A 55 4.906 9.991 -2.448 1.00 0.00 C ATOM 0 H THR A 55 6.445 8.063 -2.217 1.00 0.00 H new ATOM 0 HA THR A 55 6.034 8.657 0.540 1.00 0.00 H new ATOM 0 HB THR A 55 6.468 10.353 -1.049 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.575 11.722 -0.663 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.878 11.014 -2.824 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.555 9.388 -3.083 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.899 9.573 -2.457 1.00 0.00 H new ATOM 809 N GLU A 56 3.543 7.450 -1.231 1.00 0.00 N ATOM 810 CA GLU A 56 2.203 6.885 -1.152 1.00 0.00 C ATOM 811 C GLU A 56 2.195 5.590 -0.341 1.00 0.00 C ATOM 812 O GLU A 56 1.302 5.376 0.471 1.00 0.00 O ATOM 813 CB GLU A 56 1.638 6.653 -2.554 1.00 0.00 C ATOM 814 CG GLU A 56 1.611 7.916 -3.402 1.00 0.00 C ATOM 815 CD GLU A 56 0.816 7.752 -4.684 1.00 0.00 C ATOM 816 OE1 GLU A 56 1.119 6.820 -5.458 1.00 0.00 O ATOM 817 OE2 GLU A 56 -0.105 8.560 -4.916 1.00 0.00 O ATOM 0 H GLU A 56 3.989 7.351 -2.143 1.00 0.00 H new ATOM 0 HA GLU A 56 1.564 7.601 -0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.237 5.895 -3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.626 6.257 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.183 8.731 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.633 8.203 -3.649 1.00 0.00 H new ATOM 824 N VAL A 57 3.195 4.731 -0.542 1.00 0.00 N ATOM 825 CA VAL A 57 3.266 3.478 0.212 1.00 0.00 C ATOM 826 C VAL A 57 3.302 3.779 1.701 1.00 0.00 C ATOM 827 O VAL A 57 2.572 3.182 2.493 1.00 0.00 O ATOM 828 CB VAL A 57 4.521 2.643 -0.153 1.00 0.00 C ATOM 829 CG1 VAL A 57 5.764 3.511 -0.164 1.00 0.00 C ATOM 830 CG2 VAL A 57 4.715 1.483 0.818 1.00 0.00 C ATOM 0 H VAL A 57 3.954 4.875 -1.208 1.00 0.00 H new ATOM 0 HA VAL A 57 2.381 2.896 -0.047 1.00 0.00 H new ATOM 0 HB VAL A 57 4.362 2.238 -1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.630 2.902 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.646 4.306 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.910 3.950 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.603 0.917 0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.839 1.871 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.842 0.831 0.784 1.00 0.00 H new ATOM 840 N LEU A 58 4.152 4.725 2.063 1.00 0.00 N ATOM 841 CA LEU A 58 4.297 5.141 3.443 1.00 0.00 C ATOM 842 C LEU A 58 3.011 5.792 3.942 1.00 0.00 C ATOM 843 O LEU A 58 2.539 5.508 5.040 1.00 0.00 O ATOM 844 CB LEU A 58 5.478 6.117 3.556 1.00 0.00 C ATOM 845 CG LEU A 58 5.412 7.108 4.721 1.00 0.00 C ATOM 846 CD1 LEU A 58 5.414 6.368 6.051 1.00 0.00 C ATOM 847 CD2 LEU A 58 6.574 8.088 4.652 1.00 0.00 C ATOM 0 H LEU A 58 4.757 5.223 1.410 1.00 0.00 H new ATOM 0 HA LEU A 58 4.494 4.268 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.397 5.538 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.549 6.682 2.626 1.00 0.00 H new ATOM 0 HG LEU A 58 4.482 7.671 4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.367 7.088 6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.550 5.706 6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.327 5.779 6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.512 8.785 5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.515 7.541 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.528 8.641 3.714 1.00 0.00 H new ATOM 859 N HIS A 59 2.471 6.689 3.126 1.00 0.00 N ATOM 860 CA HIS A 59 1.258 7.426 3.462 1.00 0.00 C ATOM 861 C HIS A 59 -0.015 6.571 3.446 1.00 0.00 C ATOM 862 O HIS A 59 -0.844 6.682 4.349 1.00 0.00 O ATOM 863 CB HIS A 59 1.091 8.605 2.503 1.00 0.00 C ATOM 864 CG HIS A 59 1.998 9.756 2.807 1.00 0.00 C ATOM 865 ND1 HIS A 59 1.569 11.066 2.833 1.00 0.00 N ATOM 866 CD2 HIS A 59 3.320 9.791 3.101 1.00 0.00 C ATOM 867 CE1 HIS A 59 2.585 11.857 3.128 1.00 0.00 C ATOM 868 NE2 HIS A 59 3.658 11.108 3.296 1.00 0.00 N ATOM 0 H HIS A 59 2.861 6.926 2.214 1.00 0.00 H new ATOM 0 HA HIS A 59 1.385 7.771 4.488 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.279 8.264 1.485 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.057 8.948 2.539 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.984 8.942 3.169 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.544 12.933 3.216 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.589 11.452 3.533 1.00 0.00 H new ATOM 876 N LEU A 60 -0.207 5.770 2.397 1.00 0.00 N ATOM 877 CA LEU A 60 -1.432 4.978 2.274 1.00 0.00 C ATOM 878 C LEU A 60 -1.607 3.955 3.390 1.00 0.00 C ATOM 879 O LEU A 60 -2.694 3.830 3.925 1.00 0.00 O ATOM 880 CB LEU A 60 -1.483 4.262 0.919 1.00 0.00 C ATOM 881 CG LEU A 60 -2.335 4.952 -0.149 1.00 0.00 C ATOM 882 CD1 LEU A 60 -3.781 5.083 0.313 1.00 0.00 C ATOM 883 CD2 LEU A 60 -1.755 6.320 -0.484 1.00 0.00 C ATOM 0 H LEU A 60 0.457 5.653 1.632 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.253 5.690 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.466 4.161 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.868 3.254 1.073 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.322 4.337 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.367 5.576 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.193 4.092 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.819 5.674 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.371 6.800 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.740 6.938 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.739 6.202 -0.861 1.00 0.00 H new ATOM 895 N LEU A 61 -0.551 3.234 3.746 1.00 0.00 N ATOM 896 CA LEU A 61 -0.642 2.224 4.805 1.00 0.00 C ATOM 897 C LEU A 61 -0.251 2.807 6.162 1.00 0.00 C ATOM 898 O LEU A 61 0.240 2.089 7.034 1.00 0.00 O ATOM 899 CB LEU A 61 0.242 1.027 4.466 1.00 0.00 C ATOM 900 CG LEU A 61 -0.457 -0.339 4.549 1.00 0.00 C ATOM 901 CD1 LEU A 61 -1.506 -0.503 3.455 1.00 0.00 C ATOM 902 CD2 LEU A 61 0.563 -1.456 4.494 1.00 0.00 C ATOM 0 H LEU A 61 0.373 3.325 3.324 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.679 1.893 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.634 1.157 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.097 1.023 5.142 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.978 -0.390 5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.978 -1.481 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.262 0.276 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.029 -0.421 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.053 -2.418 4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.117 -1.397 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.254 -1.359 5.331 1.00 0.00 H new ATOM 914 N GLU A 62 -0.470 4.113 6.341 1.00 0.00 N ATOM 915 CA GLU A 62 -0.133 4.775 7.600 1.00 0.00 C ATOM 916 C GLU A 62 -1.027 5.987 7.869 1.00 0.00 C ATOM 917 O GLU A 62 -1.635 6.090 8.934 1.00 0.00 O ATOM 918 CB GLU A 62 1.332 5.217 7.602 1.00 0.00 C ATOM 919 CG GLU A 62 2.319 4.086 7.358 1.00 0.00 C ATOM 920 CD GLU A 62 2.328 3.066 8.481 1.00 0.00 C ATOM 921 OE1 GLU A 62 1.911 3.417 9.605 1.00 0.00 O ATOM 922 OE2 GLU A 62 2.751 1.916 8.235 1.00 0.00 O ATOM 0 H GLU A 62 -0.876 4.727 5.635 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.298 4.046 8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.472 5.979 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.559 5.683 8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.070 3.587 6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.320 4.501 7.242 1.00 0.00 H new ATOM 929 N SER A 63 -1.092 6.916 6.913 1.00 0.00 N ATOM 930 CA SER A 63 -1.899 8.122 7.081 1.00 0.00 C ATOM 931 C SER A 63 -3.313 7.929 6.543 1.00 0.00 C ATOM 932 O SER A 63 -3.524 7.183 5.590 1.00 0.00 O ATOM 933 CB SER A 63 -1.233 9.305 6.376 1.00 0.00 C ATOM 934 OG SER A 63 0.116 9.448 6.785 1.00 0.00 O ATOM 0 H SER A 63 -0.599 6.856 6.022 1.00 0.00 H new ATOM 0 HA SER A 63 -1.969 8.328 8.149 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.276 9.160 5.297 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.782 10.220 6.597 1.00 0.00 H new ATOM 0 HG SER A 63 0.520 10.210 6.319 1.00 0.00 H new ATOM 940 N PRO A 64 -4.304 8.609 7.151 1.00 0.00 N ATOM 941 CA PRO A 64 -5.705 8.515 6.732 1.00 0.00 C ATOM 942 C PRO A 64 -5.982 9.317 5.462 1.00 0.00 C ATOM 943 O PRO A 64 -6.692 8.860 4.566 1.00 0.00 O ATOM 944 CB PRO A 64 -6.462 9.112 7.916 1.00 0.00 C ATOM 945 CG PRO A 64 -5.511 10.093 8.510 1.00 0.00 C ATOM 946 CD PRO A 64 -4.133 9.524 8.297 1.00 0.00 C ATOM 0 HA PRO A 64 -5.996 7.492 6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.383 9.597 7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.741 8.344 8.637 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.608 11.068 8.032 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.713 10.237 9.571 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.406 10.307 8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.777 8.996 9.181 1.00 0.00 H new ATOM 954 N ASP A 65 -5.414 10.516 5.393 1.00 0.00 N ATOM 955 CA ASP A 65 -5.593 11.382 4.234 1.00 0.00 C ATOM 956 C ASP A 65 -5.025 10.726 2.978 1.00 0.00 C ATOM 957 O ASP A 65 -5.417 11.052 1.857 1.00 0.00 O ATOM 958 CB ASP A 65 -4.915 12.734 4.484 1.00 0.00 C ATOM 959 CG ASP A 65 -3.435 12.731 4.141 1.00 0.00 C ATOM 960 OD1 ASP A 65 -3.105 12.763 2.937 1.00 0.00 O ATOM 961 OD2 ASP A 65 -2.609 12.698 5.078 1.00 0.00 O ATOM 0 H ASP A 65 -4.825 10.910 6.127 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.660 11.543 4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.417 13.500 3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.038 13.007 5.532 1.00 0.00 H new ATOM 966 N ALA A 66 -4.092 9.805 3.183 1.00 0.00 N ATOM 967 CA ALA A 66 -3.450 9.097 2.083 1.00 0.00 C ATOM 968 C ALA A 66 -4.450 8.249 1.301 1.00 0.00 C ATOM 969 O ALA A 66 -4.374 8.152 0.076 1.00 0.00 O ATOM 970 CB ALA A 66 -2.330 8.222 2.620 1.00 0.00 C ATOM 0 H ALA A 66 -3.761 9.530 4.108 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.038 9.838 1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.853 7.694 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.593 8.845 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.740 7.498 3.325 1.00 0.00 H new ATOM 976 N LEU A 67 -5.377 7.630 2.022 1.00 0.00 N ATOM 977 CA LEU A 67 -6.390 6.773 1.415 1.00 0.00 C ATOM 978 C LEU A 67 -7.318 7.553 0.487 1.00 0.00 C ATOM 979 O LEU A 67 -7.611 7.115 -0.624 1.00 0.00 O ATOM 980 CB LEU A 67 -7.205 6.096 2.519 1.00 0.00 C ATOM 981 CG LEU A 67 -6.407 5.143 3.413 1.00 0.00 C ATOM 982 CD1 LEU A 67 -5.619 5.914 4.457 1.00 0.00 C ATOM 983 CD2 LEU A 67 -7.329 4.139 4.084 1.00 0.00 C ATOM 0 H LEU A 67 -5.449 7.706 3.037 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.880 6.024 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.655 6.867 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.023 5.541 2.059 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.703 4.600 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.060 5.216 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.925 6.593 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.305 6.488 5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.742 3.471 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.059 4.668 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.848 3.556 3.323 1.00 0.00 H new ATOM 995 N LYS A 68 -7.779 8.705 0.950 1.00 0.00 N ATOM 996 CA LYS A 68 -8.686 9.546 0.171 1.00 0.00 C ATOM 997 C LYS A 68 -8.107 9.892 -1.201 1.00 0.00 C ATOM 998 O LYS A 68 -8.841 10.028 -2.180 1.00 0.00 O ATOM 999 CB LYS A 68 -8.999 10.830 0.941 1.00 0.00 C ATOM 1000 CG LYS A 68 -10.382 10.836 1.575 1.00 0.00 C ATOM 1001 CD LYS A 68 -11.249 11.955 1.020 1.00 0.00 C ATOM 1002 CE LYS A 68 -10.825 13.312 1.560 1.00 0.00 C ATOM 1003 NZ LYS A 68 -10.081 14.107 0.544 1.00 0.00 N ATOM 0 H LYS A 68 -7.540 9.084 1.866 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.603 8.980 0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.250 10.968 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.915 11.680 0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.868 9.877 1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.287 10.950 2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.185 11.960 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.292 11.770 1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.707 13.867 1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.199 13.172 2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.147 15.118 0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.082 13.817 0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.493 13.941 -0.396 1.00 0.00 H new ATOM 1017 N ALA A 69 -6.797 10.073 -1.251 1.00 0.00 N ATOM 1018 CA ALA A 69 -6.110 10.450 -2.483 1.00 0.00 C ATOM 1019 C ALA A 69 -6.133 9.371 -3.562 1.00 0.00 C ATOM 1020 O ALA A 69 -6.486 9.636 -4.711 1.00 0.00 O ATOM 1021 CB ALA A 69 -4.669 10.727 -2.146 1.00 0.00 C ATOM 0 H ALA A 69 -6.180 9.964 -0.446 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.634 11.318 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.132 11.011 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.614 11.539 -1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.216 9.831 -1.722 1.00 0.00 H new ATOM 1027 N LYS A 70 -5.712 8.166 -3.199 1.00 0.00 N ATOM 1028 CA LYS A 70 -5.641 7.062 -4.151 1.00 0.00 C ATOM 1029 C LYS A 70 -6.997 6.436 -4.393 1.00 0.00 C ATOM 1030 O LYS A 70 -7.288 5.972 -5.492 1.00 0.00 O ATOM 1031 CB LYS A 70 -4.665 5.999 -3.654 1.00 0.00 C ATOM 1032 CG LYS A 70 -3.357 6.573 -3.146 1.00 0.00 C ATOM 1033 CD LYS A 70 -2.509 7.124 -4.282 1.00 0.00 C ATOM 1034 CE LYS A 70 -2.805 8.592 -4.544 1.00 0.00 C ATOM 1035 NZ LYS A 70 -2.444 8.994 -5.931 1.00 0.00 N ATOM 0 H LYS A 70 -5.414 7.927 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.288 7.471 -5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.137 5.428 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.456 5.301 -4.464 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.562 7.366 -2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.800 5.799 -2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.453 7.003 -4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.696 6.548 -5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.865 8.784 -4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.252 9.206 -3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.842 9.933 -6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.409 9.030 -6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.828 8.301 -6.604 1.00 0.00 H new ATOM 1049 N VAL A 71 -7.815 6.405 -3.359 1.00 0.00 N ATOM 1050 CA VAL A 71 -9.140 5.803 -3.477 1.00 0.00 C ATOM 1051 C VAL A 71 -9.958 6.469 -4.577 1.00 0.00 C ATOM 1052 O VAL A 71 -10.557 5.791 -5.409 1.00 0.00 O ATOM 1053 CB VAL A 71 -9.929 5.857 -2.157 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -9.238 5.030 -1.087 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -10.115 7.294 -1.702 1.00 0.00 C ATOM 0 H VAL A 71 -7.595 6.782 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.972 4.757 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.917 5.429 -2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.811 5.081 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.171 3.993 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.236 5.422 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.675 7.310 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.140 7.756 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.664 7.849 -2.463 1.00 0.00 H new ATOM 1065 N ALA A 72 -9.979 7.796 -4.581 1.00 0.00 N ATOM 1066 CA ALA A 72 -10.728 8.541 -5.585 1.00 0.00 C ATOM 1067 C ALA A 72 -10.241 8.213 -6.994 1.00 0.00 C ATOM 1068 O ALA A 72 -11.044 7.981 -7.899 1.00 0.00 O ATOM 1069 CB ALA A 72 -10.617 10.035 -5.323 1.00 0.00 C ATOM 0 H ALA A 72 -9.487 8.377 -3.902 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.775 8.245 -5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.181 10.580 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.020 10.262 -4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.570 10.335 -5.365 1.00 0.00 H new ATOM 1075 N GLU A 73 -8.925 8.201 -7.175 1.00 0.00 N ATOM 1076 CA GLU A 73 -8.332 7.908 -8.476 1.00 0.00 C ATOM 1077 C GLU A 73 -8.456 6.427 -8.831 1.00 0.00 C ATOM 1078 O GLU A 73 -8.892 6.078 -9.928 1.00 0.00 O ATOM 1079 CB GLU A 73 -6.859 8.325 -8.490 1.00 0.00 C ATOM 1080 CG GLU A 73 -6.629 9.725 -9.035 1.00 0.00 C ATOM 1081 CD GLU A 73 -6.385 9.735 -10.531 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -5.602 8.887 -11.010 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -6.975 10.590 -11.223 1.00 0.00 O ATOM 0 H GLU A 73 -8.247 8.391 -6.437 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.879 8.480 -9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.465 8.270 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.294 7.613 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.495 10.346 -8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.774 10.172 -8.528 1.00 0.00 H new ATOM 1090 N ALA A 74 -8.059 5.561 -7.904 1.00 0.00 N ATOM 1091 CA ALA A 74 -8.113 4.120 -8.128 1.00 0.00 C ATOM 1092 C ALA A 74 -9.546 3.633 -8.322 1.00 0.00 C ATOM 1093 O ALA A 74 -9.826 2.859 -9.236 1.00 0.00 O ATOM 1094 CB ALA A 74 -7.449 3.376 -6.977 1.00 0.00 C ATOM 0 H ALA A 74 -7.696 5.832 -6.990 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.566 3.909 -9.047 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.499 2.303 -7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.406 3.683 -6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.967 3.609 -6.046 1.00 0.00 H new ATOM 1100 N MET A 75 -10.452 4.082 -7.459 1.00 0.00 N ATOM 1101 CA MET A 75 -11.847 3.680 -7.545 1.00 0.00 C ATOM 1102 C MET A 75 -12.443 4.054 -8.898 1.00 0.00 C ATOM 1103 O MET A 75 -13.244 3.313 -9.463 1.00 0.00 O ATOM 1104 CB MET A 75 -12.652 4.335 -6.425 1.00 0.00 C ATOM 1105 CG MET A 75 -12.347 3.774 -5.045 1.00 0.00 C ATOM 1106 SD MET A 75 -13.590 2.597 -4.484 1.00 0.00 S ATOM 1107 CE MET A 75 -14.488 3.591 -3.295 1.00 0.00 C ATOM 0 H MET A 75 -10.243 4.723 -6.694 1.00 0.00 H new ATOM 0 HA MET A 75 -11.894 2.596 -7.437 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.452 5.406 -6.424 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.715 4.209 -6.632 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.372 3.286 -5.063 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.280 4.594 -4.330 1.00 0.00 H new ATOM 0 HE1 MET A 75 -15.293 2.999 -2.860 1.00 0.00 H new ATOM 0 HE2 MET A 75 -13.809 3.916 -2.506 1.00 0.00 H new ATOM 0 HE3 MET A 75 -14.909 4.464 -3.794 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.051 5.210 -9.414 1.00 0.00 N ATOM 1118 CA GLU A 76 -12.556 5.679 -10.697 1.00 0.00 C ATOM 1119 C GLU A 76 -12.276 4.671 -11.808 1.00 0.00 C ATOM 1120 O GLU A 76 -13.130 4.418 -12.657 1.00 0.00 O ATOM 1121 CB GLU A 76 -11.929 7.031 -11.048 1.00 0.00 C ATOM 1122 CG GLU A 76 -12.939 8.064 -11.520 1.00 0.00 C ATOM 1123 CD GLU A 76 -13.273 7.925 -12.992 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -12.421 8.287 -13.831 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -14.386 7.453 -13.306 1.00 0.00 O ATOM 0 H GLU A 76 -11.386 5.840 -8.965 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.636 5.793 -10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.407 7.418 -10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.181 6.884 -11.827 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.853 7.967 -10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.545 9.063 -11.334 1.00 0.00 H new ATOM 1132 N VAL A 77 -11.073 4.107 -11.810 1.00 0.00 N ATOM 1133 CA VAL A 77 -10.688 3.142 -12.834 1.00 0.00 C ATOM 1134 C VAL A 77 -11.325 1.769 -12.618 1.00 0.00 C ATOM 1135 O VAL A 77 -11.660 1.084 -13.584 1.00 0.00 O ATOM 1136 CB VAL A 77 -9.155 2.991 -12.925 1.00 0.00 C ATOM 1137 CG1 VAL A 77 -8.578 2.467 -11.619 1.00 0.00 C ATOM 1138 CG2 VAL A 77 -8.773 2.084 -14.087 1.00 0.00 C ATOM 0 H VAL A 77 -10.350 4.300 -11.117 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.064 3.543 -13.775 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.729 3.978 -13.106 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.496 2.370 -11.712 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.812 3.162 -10.813 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.011 1.492 -11.395 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.688 1.990 -14.134 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.216 1.099 -13.941 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.141 2.513 -15.019 1.00 0.00 H new ATOM 1148 N LEU A 78 -11.482 1.357 -11.364 1.00 0.00 N ATOM 1149 CA LEU A 78 -12.069 0.051 -11.073 1.00 0.00 C ATOM 1150 C LEU A 78 -13.580 0.148 -10.866 1.00 0.00 C ATOM 1151 O LEU A 78 -14.353 -0.467 -11.600 1.00 0.00 O ATOM 1152 CB LEU A 78 -11.406 -0.585 -9.846 1.00 0.00 C ATOM 1153 CG LEU A 78 -11.200 0.345 -8.644 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -12.104 -0.061 -7.493 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -9.742 0.333 -8.206 1.00 0.00 C ATOM 0 H LEU A 78 -11.216 1.899 -10.542 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.888 -0.586 -11.939 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.013 -1.432 -9.527 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.436 -0.982 -10.145 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.462 1.359 -8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.943 0.611 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.145 -0.003 -7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.873 -1.083 -7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.613 0.998 -7.352 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.455 -0.680 -7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.112 0.672 -9.028 1.00 0.00 H new ATOM 1167 N ARG A 79 -13.993 0.913 -9.865 1.00 0.00 N ATOM 1168 CA ARG A 79 -15.385 1.088 -9.551 1.00 0.00 C ATOM 1169 C ARG A 79 -16.162 1.676 -10.731 1.00 0.00 C ATOM 1170 O ARG A 79 -17.344 1.384 -10.908 1.00 0.00 O ATOM 1171 CB ARG A 79 -15.464 1.972 -8.302 1.00 0.00 C ATOM 1172 CG ARG A 79 -16.390 3.172 -8.401 1.00 0.00 C ATOM 1173 CD ARG A 79 -17.448 3.157 -7.308 1.00 0.00 C ATOM 1174 NE ARG A 79 -18.722 2.624 -7.785 1.00 0.00 N ATOM 1175 CZ ARG A 79 -19.844 2.634 -7.069 1.00 0.00 C ATOM 1176 NH1 ARG A 79 -19.854 3.149 -5.846 1.00 0.00 N ATOM 1177 NH2 ARG A 79 -20.959 2.128 -7.577 1.00 0.00 N ATOM 0 H ARG A 79 -13.361 1.427 -9.251 1.00 0.00 H new ATOM 0 HA ARG A 79 -15.854 0.125 -9.351 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.787 1.356 -7.463 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.461 2.329 -8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.806 4.089 -8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.875 3.178 -9.377 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.095 2.556 -6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.596 4.170 -6.934 1.00 0.00 H new ATOM 0 HE ARG A 79 -18.753 2.221 -8.721 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.999 3.540 -5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.717 3.154 -5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -20.957 1.731 -8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.819 2.136 -7.028 1.00 0.00 H new ATOM 1191 N SER A 80 -15.503 2.513 -11.531 1.00 0.00 N ATOM 1192 CA SER A 80 -16.162 3.134 -12.675 1.00 0.00 C ATOM 1193 C SER A 80 -15.756 2.471 -13.990 1.00 0.00 C ATOM 1194 O SER A 80 -16.429 2.633 -15.007 1.00 0.00 O ATOM 1195 CB SER A 80 -15.843 4.630 -12.719 1.00 0.00 C ATOM 1196 OG SER A 80 -17.011 5.393 -12.967 1.00 0.00 O ATOM 0 H SER A 80 -14.524 2.774 -11.409 1.00 0.00 H new ATOM 0 HA SER A 80 -17.236 2.997 -12.553 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.398 4.938 -11.773 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.105 4.825 -13.497 1.00 0.00 H new ATOM 0 HG SER A 80 -16.781 6.345 -12.989 1.00 0.00 H new ATOM 1202 N ALA A 81 -14.656 1.722 -13.968 1.00 0.00 N ATOM 1203 CA ALA A 81 -14.179 1.041 -15.166 1.00 0.00 C ATOM 1204 C ALA A 81 -13.862 2.039 -16.274 1.00 0.00 C ATOM 1205 O ALA A 81 -14.130 1.784 -17.449 1.00 0.00 O ATOM 1206 CB ALA A 81 -15.211 0.030 -15.643 1.00 0.00 C ATOM 0 H ALA A 81 -14.082 1.573 -13.138 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.259 0.514 -14.914 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.843 -0.471 -16.538 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -15.387 -0.708 -14.860 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -16.144 0.544 -15.873 1.00 0.00 H new ATOM 1212 N GLN A 82 -13.289 3.176 -15.895 1.00 0.00 N ATOM 1213 CA GLN A 82 -12.936 4.213 -16.858 1.00 0.00 C ATOM 1214 C GLN A 82 -11.516 4.013 -17.379 1.00 0.00 C ATOM 1215 O GLN A 82 -10.691 4.927 -17.331 1.00 0.00 O ATOM 1216 CB GLN A 82 -13.070 5.597 -16.219 1.00 0.00 C ATOM 1217 CG GLN A 82 -14.472 6.177 -16.313 1.00 0.00 C ATOM 1218 CD GLN A 82 -14.610 7.194 -17.430 1.00 0.00 C ATOM 1219 OE1 GLN A 82 -14.353 6.890 -18.595 1.00 0.00 O ATOM 1220 NE2 GLN A 82 -15.015 8.408 -17.079 1.00 0.00 N ATOM 0 H GLN A 82 -13.059 3.403 -14.928 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.624 4.142 -17.701 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -12.782 5.533 -15.170 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -12.370 6.280 -16.701 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -15.185 5.369 -16.473 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -14.731 6.648 -15.364 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -15.217 8.615 -16.101 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -15.125 9.134 -17.787 1.00 0.00 H new ATOM 1229 N GLN A 83 -11.238 2.814 -17.878 1.00 0.00 N ATOM 1230 CA GLN A 83 -9.918 2.495 -18.410 1.00 0.00 C ATOM 1231 C GLN A 83 -9.727 3.111 -19.793 1.00 0.00 C ATOM 1232 O GLN A 83 -8.785 3.871 -20.021 1.00 0.00 O ATOM 1233 CB GLN A 83 -9.726 0.979 -18.483 1.00 0.00 C ATOM 1234 CG GLN A 83 -9.309 0.356 -17.162 1.00 0.00 C ATOM 1235 CD GLN A 83 -9.927 -1.011 -16.941 1.00 0.00 C ATOM 1236 OE1 GLN A 83 -10.429 -1.311 -15.857 1.00 0.00 O ATOM 1237 NE2 GLN A 83 -9.894 -1.849 -17.971 1.00 0.00 N ATOM 0 H GLN A 83 -11.909 2.047 -17.925 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.171 2.916 -17.737 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.657 0.519 -18.815 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.972 0.752 -19.237 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.223 0.269 -17.133 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.598 1.018 -16.345 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.468 -1.559 -18.851 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.295 -2.783 -17.882 1.00 0.00 H new ATOM 1246 N HIS A 84 -10.628 2.780 -20.712 1.00 0.00 N ATOM 1247 CA HIS A 84 -10.560 3.301 -22.072 1.00 0.00 C ATOM 1248 C HIS A 84 -9.248 2.911 -22.743 1.00 0.00 C ATOM 1249 O HIS A 84 -8.268 3.653 -22.687 1.00 0.00 O ATOM 1250 CB HIS A 84 -10.710 4.823 -22.066 1.00 0.00 C ATOM 1251 CG HIS A 84 -12.084 5.288 -21.697 1.00 0.00 C ATOM 1252 ND1 HIS A 84 -12.492 6.600 -21.807 1.00 0.00 N ATOM 1253 CD2 HIS A 84 -13.152 4.605 -21.216 1.00 0.00 C ATOM 1254 CE1 HIS A 84 -13.747 6.707 -21.411 1.00 0.00 C ATOM 1255 NE2 HIS A 84 -14.171 5.511 -21.048 1.00 0.00 N ATOM 0 H HIS A 84 -11.414 2.153 -20.539 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.380 2.863 -22.641 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.991 5.248 -21.365 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.458 5.209 -23.054 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -13.194 3.547 -21.005 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -14.327 7.618 -21.388 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -15.105 5.294 -20.699 1.00 0.00 H new ATOM 1263 N THR A 85 -9.239 1.742 -23.376 1.00 0.00 N ATOM 1264 CA THR A 85 -8.048 1.246 -24.062 1.00 0.00 C ATOM 1265 C THR A 85 -6.860 1.157 -23.106 1.00 0.00 C ATOM 1266 O THR A 85 -6.268 2.213 -22.795 1.00 0.00 O ATOM 1267 CB THR A 85 -7.702 2.146 -25.251 1.00 0.00 C ATOM 1268 OG1 THR A 85 -7.062 3.334 -24.820 1.00 0.00 O ATOM 1269 CG2 THR A 85 -8.910 2.546 -26.072 1.00 0.00 C ATOM 1270 OXT THR A 85 -6.533 0.032 -22.676 1.00 0.00 O ATOM 0 H THR A 85 -10.044 1.118 -23.429 1.00 0.00 H new ATOM 0 HA THR A 85 -8.266 0.243 -24.430 1.00 0.00 H new ATOM 0 HB THR A 85 -7.038 1.549 -25.876 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.073 3.375 -23.841 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.594 3.183 -26.898 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.393 1.653 -26.467 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.614 3.091 -25.443 1.00 0.00 H new TER 1278 THR A 85