USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 614 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 72 TYR OH : rot 180:sc= 0.536 USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= -1.7 F(o=-3.1!,f=-1.2) USER MOD Set 2.1: A 52 SER OG : rot 76:sc= 0.495 USER MOD Set 2.2: A 57 HIS :FLIP no HE2:sc= 0.208 F(o=-1.2,f=0.7) USER MOD Set 3.1: A 38 ASN : amide:sc= 1.21 K(o=2.4,f=-3.3) USER MOD Set 3.2: A 41 LYS NZ :NH3+ -175:sc= -1.16! (180deg=-2.89!) USER MOD Set 3.3: A 51 TYR OH : rot -134:sc= 2.36 USER MOD Set 4.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 32 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.18) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.276 F(o=-1.4,f=-0.28) USER MOD Single : A 19 THR OG1 : rot 100:sc= -0.048 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc= -0.793 F(o=-4.2!,f=-0.79) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.0495 X(o=-0.05,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -164:sc= 1.1 USER MOD Single : A 68 LYS NZ :NH3+ -128:sc= 1.29 (180deg=0.365) USER MOD Single : A 71 ASN : amide:sc= 0.798 K(o=0.8,f=-0.013) USER MOD Single : A 74 LYS NZ :NH3+ 164:sc= -0.0887 (180deg=-0.364) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= -0.0118 (180deg=-0.177) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 -10.656 1.557 4.067 1.00 0.00 N ATOM 2 CA LYS A 5 -11.208 2.332 2.968 1.00 0.00 C ATOM 3 C LYS A 5 -10.055 3.005 2.228 1.00 0.00 C ATOM 4 O LYS A 5 -10.126 3.256 1.025 1.00 0.00 O ATOM 5 CB LYS A 5 -12.220 3.387 3.450 1.00 0.00 C ATOM 6 CG LYS A 5 -11.673 4.345 4.498 1.00 0.00 C ATOM 7 CD LYS A 5 -12.582 5.547 4.691 1.00 0.00 C ATOM 8 CE LYS A 5 -12.021 6.493 5.742 1.00 0.00 C ATOM 9 NZ LYS A 5 -12.725 7.803 5.755 1.00 0.00 N ATOM 0 HA LYS A 5 -11.750 1.658 2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.563 3.964 2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.092 2.877 3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.558 3.820 5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.681 4.683 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.697 6.076 3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.575 5.212 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.102 6.030 6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.960 6.655 5.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.308 8.414 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.626 8.259 4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.733 7.653 5.962 1.00 0.00 H new ATOM 23 N LEU A 6 -8.971 3.263 2.962 1.00 0.00 N ATOM 24 CA LEU A 6 -7.801 3.938 2.407 1.00 0.00 C ATOM 25 C LEU A 6 -6.892 2.958 1.674 1.00 0.00 C ATOM 26 O LEU A 6 -5.985 3.372 0.959 1.00 0.00 O ATOM 27 CB LEU A 6 -6.978 4.640 3.500 1.00 0.00 C ATOM 28 CG LEU A 6 -7.684 5.751 4.289 1.00 0.00 C ATOM 29 CD1 LEU A 6 -8.525 6.629 3.370 1.00 0.00 C ATOM 30 CD2 LEU A 6 -8.525 5.171 5.417 1.00 0.00 C ATOM 0 H LEU A 6 -8.881 3.012 3.947 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.180 4.682 1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.638 3.884 4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.088 5.065 3.035 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.916 6.381 4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.013 7.407 3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.883 7.090 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.281 6.019 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.014 5.980 5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.281 4.504 5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.884 4.613 6.099 1.00 0.00 H new ATOM 42 N ARG A 7 -7.130 1.666 1.871 1.00 0.00 N ATOM 43 CA ARG A 7 -6.317 0.617 1.254 1.00 0.00 C ATOM 44 C ARG A 7 -6.228 0.804 -0.256 1.00 0.00 C ATOM 45 O ARG A 7 -5.159 0.655 -0.846 1.00 0.00 O ATOM 46 CB ARG A 7 -6.912 -0.749 1.596 1.00 0.00 C ATOM 47 CG ARG A 7 -6.154 -1.937 1.037 1.00 0.00 C ATOM 48 CD ARG A 7 -6.759 -3.241 1.536 1.00 0.00 C ATOM 49 NE ARG A 7 -6.784 -3.304 2.998 1.00 0.00 N ATOM 50 CZ ARG A 7 -7.696 -3.973 3.707 1.00 0.00 C ATOM 51 NH1 ARG A 7 -8.701 -4.596 3.096 1.00 0.00 N ATOM 52 NH2 ARG A 7 -7.620 -3.988 5.037 1.00 0.00 N ATOM 0 H ARG A 7 -7.886 1.315 2.459 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.303 0.679 1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.961 -0.846 2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.937 -0.785 1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.179 -1.911 -0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.107 -1.879 1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.774 -3.342 1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.185 -4.081 1.146 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.057 -2.804 3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.778 -4.564 2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.394 -5.105 3.644 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.867 -3.489 5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.315 -4.498 5.582 1.00 0.00 H new ATOM 66 N TYR A 8 -7.351 1.156 -0.868 1.00 0.00 N ATOM 67 CA TYR A 8 -7.398 1.421 -2.303 1.00 0.00 C ATOM 68 C TYR A 8 -6.463 2.570 -2.668 1.00 0.00 C ATOM 69 O TYR A 8 -5.725 2.495 -3.649 1.00 0.00 O ATOM 70 CB TYR A 8 -8.832 1.757 -2.729 1.00 0.00 C ATOM 71 CG TYR A 8 -8.979 2.108 -4.196 1.00 0.00 C ATOM 72 CD1 TYR A 8 -8.930 1.123 -5.175 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.176 3.424 -4.600 1.00 0.00 C ATOM 74 CE1 TYR A 8 -9.072 1.440 -6.513 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.316 3.747 -5.937 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.264 2.753 -6.889 1.00 0.00 C ATOM 77 OH TYR A 8 -9.410 3.066 -8.220 1.00 0.00 O ATOM 0 H TYR A 8 -8.246 1.265 -0.392 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.069 0.526 -2.830 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -9.474 0.906 -2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.191 2.594 -2.129 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -8.779 0.093 -4.886 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.220 4.207 -3.857 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -9.033 0.662 -7.261 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.466 4.775 -6.234 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.538 4.033 -8.317 1.00 0.00 H new ATOM 87 N ALA A 9 -6.490 3.623 -1.862 1.00 0.00 N ATOM 88 CA ALA A 9 -5.671 4.799 -2.113 1.00 0.00 C ATOM 89 C ALA A 9 -4.197 4.496 -1.880 1.00 0.00 C ATOM 90 O ALA A 9 -3.357 4.813 -2.715 1.00 0.00 O ATOM 91 CB ALA A 9 -6.120 5.956 -1.233 1.00 0.00 C ATOM 0 H ALA A 9 -7.072 3.686 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.798 5.084 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.497 6.828 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.161 6.196 -1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.024 5.674 -0.184 1.00 0.00 H new ATOM 97 N ILE A 10 -3.893 3.860 -0.753 1.00 0.00 N ATOM 98 CA ILE A 10 -2.516 3.531 -0.401 1.00 0.00 C ATOM 99 C ILE A 10 -1.875 2.648 -1.467 1.00 0.00 C ATOM 100 O ILE A 10 -0.748 2.902 -1.894 1.00 0.00 O ATOM 101 CB ILE A 10 -2.430 2.836 0.976 1.00 0.00 C ATOM 102 CG1 ILE A 10 -2.985 3.758 2.068 1.00 0.00 C ATOM 103 CG2 ILE A 10 -0.991 2.438 1.289 1.00 0.00 C ATOM 104 CD1 ILE A 10 -2.967 3.147 3.452 1.00 0.00 C ATOM 0 H ILE A 10 -4.585 3.561 -0.065 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.968 4.472 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.033 1.929 0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.404 4.680 2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.010 4.030 1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.952 1.950 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.629 1.751 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.362 3.328 1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.375 3.859 4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.572 2.240 3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.942 2.901 3.728 1.00 0.00 H new ATOM 116 N LEU A 11 -2.603 1.626 -1.907 1.00 0.00 N ATOM 117 CA LEU A 11 -2.113 0.749 -2.965 1.00 0.00 C ATOM 118 C LEU A 11 -1.848 1.544 -4.238 1.00 0.00 C ATOM 119 O LEU A 11 -0.835 1.338 -4.905 1.00 0.00 O ATOM 120 CB LEU A 11 -3.117 -0.372 -3.252 1.00 0.00 C ATOM 121 CG LEU A 11 -3.269 -1.426 -2.151 1.00 0.00 C ATOM 122 CD1 LEU A 11 -4.352 -2.431 -2.523 1.00 0.00 C ATOM 123 CD2 LEU A 11 -1.946 -2.136 -1.904 1.00 0.00 C ATOM 0 H LEU A 11 -3.528 1.386 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.179 0.302 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.093 0.078 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.819 -0.875 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.565 -0.922 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.447 -3.173 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.302 -1.912 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.082 -2.928 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.074 -2.881 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.620 -2.627 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.195 -1.409 -1.595 1.00 0.00 H new ATOM 135 N LYS A 12 -2.748 2.469 -4.554 1.00 0.00 N ATOM 136 CA LYS A 12 -2.619 3.288 -5.750 1.00 0.00 C ATOM 137 C LYS A 12 -1.430 4.242 -5.622 1.00 0.00 C ATOM 138 O LYS A 12 -0.635 4.375 -6.548 1.00 0.00 O ATOM 139 CB LYS A 12 -3.900 4.087 -5.996 1.00 0.00 C ATOM 140 CG LYS A 12 -3.902 4.829 -7.323 1.00 0.00 C ATOM 141 CD LYS A 12 -4.995 5.882 -7.374 1.00 0.00 C ATOM 142 CE LYS A 12 -4.770 6.948 -6.318 1.00 0.00 C ATOM 143 NZ LYS A 12 -5.732 8.072 -6.437 1.00 0.00 N ATOM 0 H LYS A 12 -3.577 2.669 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.450 2.624 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.754 3.410 -5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.033 4.805 -5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.932 5.303 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.043 4.118 -8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.016 6.342 -8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.966 5.412 -7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.859 6.500 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.754 7.332 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.539 8.774 -5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.631 8.518 -7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.702 7.712 -6.329 1.00 0.00 H new ATOM 157 N GLU A 13 -1.319 4.898 -4.472 1.00 0.00 N ATOM 158 CA GLU A 13 -0.219 5.825 -4.211 1.00 0.00 C ATOM 159 C GLU A 13 1.133 5.126 -4.324 1.00 0.00 C ATOM 160 O GLU A 13 2.092 5.692 -4.846 1.00 0.00 O ATOM 161 CB GLU A 13 -0.373 6.471 -2.830 1.00 0.00 C ATOM 162 CG GLU A 13 -0.979 7.870 -2.860 1.00 0.00 C ATOM 163 CD GLU A 13 -2.348 7.924 -3.512 1.00 0.00 C ATOM 164 OE1 GLU A 13 -2.416 8.113 -4.744 1.00 0.00 O ATOM 165 OE2 GLU A 13 -3.360 7.801 -2.794 1.00 0.00 O ATOM 0 H GLU A 13 -1.980 4.805 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.258 6.608 -4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.998 5.830 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.606 6.521 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.056 8.245 -1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.304 8.538 -3.395 1.00 0.00 H new ATOM 172 N ILE A 14 1.210 3.893 -3.841 1.00 0.00 N ATOM 173 CA ILE A 14 2.424 3.102 -3.975 1.00 0.00 C ATOM 174 C ILE A 14 2.637 2.695 -5.433 1.00 0.00 C ATOM 175 O ILE A 14 3.708 2.903 -5.999 1.00 0.00 O ATOM 176 CB ILE A 14 2.378 1.836 -3.083 1.00 0.00 C ATOM 177 CG1 ILE A 14 2.334 2.229 -1.601 1.00 0.00 C ATOM 178 CG2 ILE A 14 3.580 0.940 -3.363 1.00 0.00 C ATOM 179 CD1 ILE A 14 2.185 1.048 -0.661 1.00 0.00 C ATOM 0 H ILE A 14 0.448 3.421 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 14 3.257 3.723 -3.646 1.00 0.00 H new ATOM 0 HB ILE A 14 1.472 1.278 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.247 2.769 -1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.503 2.916 -1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.531 0.056 -2.727 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.571 0.635 -4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.499 1.487 -3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.161 1.404 0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.258 0.520 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.029 0.370 -0.792 1.00 0.00 H new ATOM 191 N PHE A 15 1.591 2.145 -6.037 1.00 0.00 N ATOM 192 CA PHE A 15 1.662 1.618 -7.397 1.00 0.00 C ATOM 193 C PHE A 15 1.985 2.716 -8.414 1.00 0.00 C ATOM 194 O PHE A 15 2.900 2.571 -9.223 1.00 0.00 O ATOM 195 CB PHE A 15 0.337 0.936 -7.752 1.00 0.00 C ATOM 196 CG PHE A 15 0.319 0.281 -9.103 1.00 0.00 C ATOM 197 CD1 PHE A 15 1.244 -0.698 -9.428 1.00 0.00 C ATOM 198 CD2 PHE A 15 -0.628 0.644 -10.046 1.00 0.00 C ATOM 199 CE1 PHE A 15 1.226 -1.302 -10.670 1.00 0.00 C ATOM 200 CE2 PHE A 15 -0.650 0.043 -11.290 1.00 0.00 C ATOM 201 CZ PHE A 15 0.277 -0.931 -11.602 1.00 0.00 C ATOM 0 H PHE A 15 0.673 2.051 -5.602 1.00 0.00 H new ATOM 0 HA PHE A 15 2.471 0.889 -7.438 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.115 0.185 -6.994 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.462 1.677 -7.710 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.987 -0.992 -8.702 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.357 1.404 -9.807 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.953 -2.063 -10.912 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.392 0.335 -12.018 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.260 -1.402 -12.574 1.00 0.00 H new ATOM 211 N GLU A 16 1.245 3.810 -8.358 1.00 0.00 N ATOM 212 CA GLU A 16 1.411 4.903 -9.311 1.00 0.00 C ATOM 213 C GLU A 16 2.555 5.824 -8.909 1.00 0.00 C ATOM 214 O GLU A 16 3.276 6.344 -9.762 1.00 0.00 O ATOM 215 CB GLU A 16 0.111 5.700 -9.431 1.00 0.00 C ATOM 216 CG GLU A 16 -1.004 4.934 -10.119 1.00 0.00 C ATOM 217 CD GLU A 16 -0.667 4.608 -11.558 1.00 0.00 C ATOM 218 OE1 GLU A 16 -0.009 3.577 -11.807 1.00 0.00 O ATOM 219 OE2 GLU A 16 -1.049 5.393 -12.452 1.00 0.00 O ATOM 0 H GLU A 16 0.518 3.969 -7.660 1.00 0.00 H new ATOM 0 HA GLU A 16 1.656 4.467 -10.280 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.220 5.993 -8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.306 6.618 -9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.198 4.010 -9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.921 5.522 -10.086 1.00 0.00 H new ATOM 226 N GLY A 17 2.730 6.012 -7.609 1.00 0.00 N ATOM 227 CA GLY A 17 3.757 6.912 -7.124 1.00 0.00 C ATOM 228 C GLY A 17 5.151 6.338 -7.274 1.00 0.00 C ATOM 229 O GLY A 17 6.131 7.084 -7.326 1.00 0.00 O ATOM 0 H GLY A 17 2.179 5.557 -6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.696 7.855 -7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.572 7.137 -6.074 1.00 0.00 H new ATOM 233 N ASN A 18 5.232 5.004 -7.327 1.00 0.00 N ATOM 234 CA ASN A 18 6.503 4.282 -7.473 1.00 0.00 C ATOM 235 C ASN A 18 7.326 4.367 -6.184 1.00 0.00 C ATOM 236 O ASN A 18 8.461 3.891 -6.127 1.00 0.00 O ATOM 237 CB ASN A 18 7.307 4.813 -8.676 1.00 0.00 C ATOM 238 CG ASN A 18 8.510 3.947 -9.029 1.00 0.00 C ATOM 239 OD1 ASN A 18 8.381 2.639 -8.859 1.00 0.00 O flip ATOM 240 ND2 ASN A 18 9.541 4.454 -9.470 1.00 0.00 N flip ATOM 0 H ASN A 18 4.417 4.393 -7.270 1.00 0.00 H new ATOM 0 HA ASN A 18 6.275 3.233 -7.662 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.649 4.879 -9.543 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.649 5.825 -8.457 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.602 5.465 -9.587 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.334 3.863 -9.719 1.00 0.00 H new ATOM 247 N THR A 19 6.715 4.951 -5.146 1.00 0.00 N ATOM 248 CA THR A 19 7.322 5.110 -3.816 1.00 0.00 C ATOM 249 C THR A 19 8.674 5.854 -3.846 1.00 0.00 C ATOM 250 O THR A 19 9.272 6.054 -4.907 1.00 0.00 O ATOM 251 CB THR A 19 7.447 3.754 -3.062 1.00 0.00 C ATOM 252 OG1 THR A 19 7.874 2.700 -3.931 1.00 0.00 O ATOM 253 CG2 THR A 19 6.118 3.369 -2.434 1.00 0.00 C ATOM 0 H THR A 19 5.771 5.333 -5.206 1.00 0.00 H new ATOM 0 HA THR A 19 6.631 5.742 -3.258 1.00 0.00 H new ATOM 0 HB THR A 19 8.199 3.890 -2.285 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.834 2.545 -3.810 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.224 2.418 -1.911 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.813 4.140 -1.727 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.362 3.272 -3.213 1.00 0.00 H new ATOM 261 N PRO A 20 9.156 6.332 -2.678 1.00 0.00 N ATOM 262 CA PRO A 20 8.451 6.219 -1.399 1.00 0.00 C ATOM 263 C PRO A 20 7.422 7.332 -1.194 1.00 0.00 C ATOM 264 O PRO A 20 7.235 8.181 -2.065 1.00 0.00 O ATOM 265 CB PRO A 20 9.579 6.358 -0.384 1.00 0.00 C ATOM 266 CG PRO A 20 10.558 7.271 -1.041 1.00 0.00 C ATOM 267 CD PRO A 20 10.453 7.017 -2.524 1.00 0.00 C ATOM 0 HA PRO A 20 7.883 5.292 -1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.218 6.773 0.557 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.029 5.392 -0.155 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.333 8.312 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.570 7.076 -0.685 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.483 7.947 -3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.276 6.399 -2.882 1.00 0.00 H new ATOM 275 N LEU A 21 6.756 7.325 -0.042 1.00 0.00 N ATOM 276 CA LEU A 21 5.806 8.378 0.304 1.00 0.00 C ATOM 277 C LEU A 21 5.667 8.487 1.816 1.00 0.00 C ATOM 278 O LEU A 21 5.734 7.483 2.527 1.00 0.00 O ATOM 279 CB LEU A 21 4.428 8.133 -0.333 1.00 0.00 C ATOM 280 CG LEU A 21 3.606 6.967 0.239 1.00 0.00 C ATOM 281 CD1 LEU A 21 2.155 7.088 -0.195 1.00 0.00 C ATOM 282 CD2 LEU A 21 4.169 5.627 -0.213 1.00 0.00 C ATOM 0 H LEU A 21 6.857 6.600 0.669 1.00 0.00 H new ATOM 0 HA LEU A 21 6.196 9.315 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.840 9.045 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.571 7.959 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 21 3.663 7.015 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.582 6.257 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.743 8.029 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.098 7.065 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.568 4.820 0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.144 5.570 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.198 5.530 0.132 1.00 0.00 H new ATOM 294 N SER A 22 5.512 9.707 2.301 1.00 0.00 N ATOM 295 CA SER A 22 5.311 9.952 3.720 1.00 0.00 C ATOM 296 C SER A 22 3.831 9.820 4.088 1.00 0.00 C ATOM 297 O SER A 22 2.974 9.731 3.206 1.00 0.00 O ATOM 298 CB SER A 22 5.835 11.340 4.079 1.00 0.00 C ATOM 299 OG SER A 22 7.202 11.466 3.721 1.00 0.00 O ATOM 0 H SER A 22 5.522 10.551 1.728 1.00 0.00 H new ATOM 0 HA SER A 22 5.864 9.206 4.290 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.247 12.101 3.565 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.716 11.514 5.148 1.00 0.00 H new ATOM 0 HG SER A 22 7.521 12.362 3.957 1.00 0.00 H new ATOM 305 N GLU A 23 3.531 9.821 5.386 1.00 0.00 N ATOM 306 CA GLU A 23 2.161 9.635 5.856 1.00 0.00 C ATOM 307 C GLU A 23 1.239 10.752 5.347 1.00 0.00 C ATOM 308 O GLU A 23 0.168 10.485 4.798 1.00 0.00 O ATOM 309 CB GLU A 23 2.127 9.550 7.392 1.00 0.00 C ATOM 310 CG GLU A 23 2.688 10.777 8.099 1.00 0.00 C ATOM 311 CD GLU A 23 2.704 10.641 9.606 1.00 0.00 C ATOM 312 OE1 GLU A 23 1.624 10.701 10.229 1.00 0.00 O ATOM 313 OE2 GLU A 23 3.798 10.486 10.178 1.00 0.00 O ATOM 0 H GLU A 23 4.218 9.948 6.129 1.00 0.00 H new ATOM 0 HA GLU A 23 1.790 8.694 5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.096 9.399 7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.691 8.673 7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.703 10.959 7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.094 11.649 7.826 1.00 0.00 H new ATOM 320 N ASN A 24 1.681 11.999 5.480 1.00 0.00 N ATOM 321 CA ASN A 24 0.855 13.145 5.101 1.00 0.00 C ATOM 322 C ASN A 24 0.738 13.277 3.588 1.00 0.00 C ATOM 323 O ASN A 24 -0.057 14.072 3.091 1.00 0.00 O ATOM 324 CB ASN A 24 1.419 14.441 5.695 1.00 0.00 C ATOM 325 CG ASN A 24 1.072 14.632 7.161 1.00 0.00 C ATOM 326 OD1 ASN A 24 0.848 13.543 7.878 1.00 0.00 O flip ATOM 327 ND2 ASN A 24 0.997 15.760 7.645 1.00 0.00 N flip ATOM 0 H ASN A 24 2.602 12.243 5.845 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.142 12.972 5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.503 14.442 5.583 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.039 15.289 5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.176 16.578 7.062 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.756 15.878 8.629 1.00 0.00 H new ATOM 334 N ASP A 25 1.521 12.494 2.855 1.00 0.00 N ATOM 335 CA ASP A 25 1.454 12.516 1.398 1.00 0.00 C ATOM 336 C ASP A 25 0.202 11.797 0.919 1.00 0.00 C ATOM 337 O ASP A 25 -0.540 12.313 0.085 1.00 0.00 O ATOM 338 CB ASP A 25 2.697 11.879 0.772 1.00 0.00 C ATOM 339 CG ASP A 25 2.621 11.848 -0.744 1.00 0.00 C ATOM 340 OD1 ASP A 25 2.925 12.879 -1.379 1.00 0.00 O ATOM 341 OD2 ASP A 25 2.246 10.798 -1.307 1.00 0.00 O ATOM 0 H ASP A 25 2.204 11.842 3.241 1.00 0.00 H new ATOM 0 HA ASP A 25 1.414 13.558 1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.583 12.436 1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.812 10.863 1.150 1.00 0.00 H new ATOM 346 N ILE A 26 -0.042 10.609 1.468 1.00 0.00 N ATOM 347 CA ILE A 26 -1.233 9.850 1.116 1.00 0.00 C ATOM 348 C ILE A 26 -2.461 10.470 1.791 1.00 0.00 C ATOM 349 O ILE A 26 -3.527 10.574 1.184 1.00 0.00 O ATOM 350 CB ILE A 26 -1.073 8.338 1.466 1.00 0.00 C ATOM 351 CG1 ILE A 26 -2.267 7.499 0.964 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.859 8.136 2.960 1.00 0.00 C ATOM 353 CD1 ILE A 26 -3.484 7.503 1.872 1.00 0.00 C ATOM 0 H ILE A 26 0.565 10.157 2.152 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.375 9.901 0.037 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.184 7.984 0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.564 7.869 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.936 6.469 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.751 7.072 3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.043 8.662 3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.716 8.530 3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.268 6.886 1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.211 7.102 2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.848 8.524 1.988 1.00 0.00 H new ATOM 365 N GLY A 27 -2.298 10.928 3.030 1.00 0.00 N ATOM 366 CA GLY A 27 -3.381 11.621 3.704 1.00 0.00 C ATOM 367 C GLY A 27 -3.659 11.097 5.098 1.00 0.00 C ATOM 368 O GLY A 27 -4.281 11.781 5.910 1.00 0.00 O ATOM 0 H GLY A 27 -1.441 10.832 3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.140 12.682 3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.287 11.533 3.104 1.00 0.00 H new ATOM 372 N VAL A 28 -3.205 9.888 5.379 1.00 0.00 N ATOM 373 CA VAL A 28 -3.426 9.277 6.682 1.00 0.00 C ATOM 374 C VAL A 28 -2.202 9.449 7.569 1.00 0.00 C ATOM 375 O VAL A 28 -1.112 9.736 7.083 1.00 0.00 O ATOM 376 CB VAL A 28 -3.761 7.775 6.556 1.00 0.00 C ATOM 377 CG1 VAL A 28 -5.044 7.581 5.767 1.00 0.00 C ATOM 378 CG2 VAL A 28 -2.615 7.013 5.907 1.00 0.00 C ATOM 0 H VAL A 28 -2.681 9.308 4.724 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.278 9.784 7.135 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.906 7.375 7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.265 6.517 5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.865 8.085 6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.924 8.002 4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.877 5.958 5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.429 7.414 4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.716 7.121 6.514 1.00 0.00 H new ATOM 388 N THR A 29 -2.381 9.279 8.865 1.00 0.00 N ATOM 389 CA THR A 29 -1.276 9.397 9.795 1.00 0.00 C ATOM 390 C THR A 29 -0.468 8.106 9.820 1.00 0.00 C ATOM 391 O THR A 29 -0.921 7.076 9.313 1.00 0.00 O ATOM 392 CB THR A 29 -1.778 9.725 11.212 1.00 0.00 C ATOM 393 OG1 THR A 29 -2.679 8.706 11.666 1.00 0.00 O ATOM 394 CG2 THR A 29 -2.486 11.069 11.232 1.00 0.00 C ATOM 0 H THR A 29 -3.279 9.059 9.296 1.00 0.00 H new ATOM 0 HA THR A 29 -0.639 10.214 9.458 1.00 0.00 H new ATOM 0 HB THR A 29 -0.915 9.769 11.876 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.991 8.924 12.569 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.833 11.282 12.243 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.795 11.849 10.914 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.339 11.041 10.554 1.00 0.00 H new ATOM 402 N GLU A 30 0.728 8.171 10.397 1.00 0.00 N ATOM 403 CA GLU A 30 1.594 7.004 10.532 1.00 0.00 C ATOM 404 C GLU A 30 0.861 5.831 11.179 1.00 0.00 C ATOM 405 O GLU A 30 1.148 4.682 10.872 1.00 0.00 O ATOM 406 CB GLU A 30 2.841 7.346 11.349 1.00 0.00 C ATOM 407 CG GLU A 30 2.535 8.090 12.636 1.00 0.00 C ATOM 408 CD GLU A 30 3.671 8.018 13.633 1.00 0.00 C ATOM 409 OE1 GLU A 30 4.632 8.804 13.514 1.00 0.00 O ATOM 410 OE2 GLU A 30 3.602 7.175 14.553 1.00 0.00 O ATOM 0 H GLU A 30 1.123 9.029 10.782 1.00 0.00 H new ATOM 0 HA GLU A 30 1.894 6.708 9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.373 6.425 11.588 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.511 7.952 10.739 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.324 9.134 12.406 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.634 7.674 13.087 1.00 0.00 H new ATOM 417 N ASP A 31 -0.086 6.128 12.062 1.00 0.00 N ATOM 418 CA ASP A 31 -0.890 5.092 12.707 1.00 0.00 C ATOM 419 C ASP A 31 -1.646 4.271 11.671 1.00 0.00 C ATOM 420 O ASP A 31 -1.542 3.045 11.633 1.00 0.00 O ATOM 421 CB ASP A 31 -1.882 5.717 13.685 1.00 0.00 C ATOM 422 CG ASP A 31 -1.203 6.339 14.883 1.00 0.00 C ATOM 423 OD1 ASP A 31 -0.998 5.628 15.885 1.00 0.00 O ATOM 424 OD2 ASP A 31 -0.869 7.540 14.828 1.00 0.00 O ATOM 0 H ASP A 31 -0.317 7.079 12.349 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.213 4.435 13.253 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.466 6.478 13.168 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.582 4.954 14.024 1.00 0.00 H new ATOM 429 N GLN A 32 -2.391 4.964 10.820 1.00 0.00 N ATOM 430 CA GLN A 32 -3.166 4.317 9.770 1.00 0.00 C ATOM 431 C GLN A 32 -2.246 3.758 8.688 1.00 0.00 C ATOM 432 O GLN A 32 -2.522 2.713 8.102 1.00 0.00 O ATOM 433 CB GLN A 32 -4.161 5.306 9.148 1.00 0.00 C ATOM 434 CG GLN A 32 -5.476 5.453 9.911 1.00 0.00 C ATOM 435 CD GLN A 32 -5.294 5.857 11.363 1.00 0.00 C ATOM 436 OE1 GLN A 32 -5.185 5.010 12.246 1.00 0.00 O ATOM 437 NE2 GLN A 32 -5.272 7.155 11.625 1.00 0.00 N ATOM 0 H GLN A 32 -2.475 5.980 10.837 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.721 3.493 10.219 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.685 6.284 9.079 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.381 4.987 8.129 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.096 6.197 9.410 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.017 4.508 9.871 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.365 7.830 10.866 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.162 7.480 12.586 1.00 0.00 H new ATOM 446 N PHE A 33 -1.150 4.465 8.439 1.00 0.00 N ATOM 447 CA PHE A 33 -0.197 4.082 7.403 1.00 0.00 C ATOM 448 C PHE A 33 0.523 2.788 7.784 1.00 0.00 C ATOM 449 O PHE A 33 0.547 1.832 7.008 1.00 0.00 O ATOM 450 CB PHE A 33 0.811 5.218 7.183 1.00 0.00 C ATOM 451 CG PHE A 33 1.735 5.007 6.019 1.00 0.00 C ATOM 452 CD1 PHE A 33 1.331 5.324 4.731 1.00 0.00 C ATOM 453 CD2 PHE A 33 3.012 4.505 6.211 1.00 0.00 C ATOM 454 CE1 PHE A 33 2.181 5.142 3.657 1.00 0.00 C ATOM 455 CE2 PHE A 33 3.867 4.322 5.142 1.00 0.00 C ATOM 456 CZ PHE A 33 3.451 4.641 3.863 1.00 0.00 C ATOM 0 H PHE A 33 -0.898 5.314 8.945 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.738 3.904 6.473 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.264 6.149 7.034 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.407 5.340 8.088 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.339 5.718 4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.343 4.254 7.208 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.853 5.391 2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.860 3.930 5.305 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.118 4.499 3.026 1.00 0.00 H new ATOM 466 N ASP A 34 1.087 2.765 8.988 1.00 0.00 N ATOM 467 CA ASP A 34 1.824 1.603 9.489 1.00 0.00 C ATOM 468 C ASP A 34 0.942 0.364 9.491 1.00 0.00 C ATOM 469 O ASP A 34 1.292 -0.656 8.896 1.00 0.00 O ATOM 470 CB ASP A 34 2.344 1.877 10.905 1.00 0.00 C ATOM 471 CG ASP A 34 2.969 0.658 11.558 1.00 0.00 C ATOM 472 OD1 ASP A 34 4.182 0.426 11.365 1.00 0.00 O ATOM 473 OD2 ASP A 34 2.255 -0.060 12.292 1.00 0.00 O ATOM 0 H ASP A 34 1.048 3.546 9.643 1.00 0.00 H new ATOM 0 HA ASP A 34 2.670 1.424 8.826 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.082 2.679 10.866 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.521 2.232 11.525 1.00 0.00 H new ATOM 478 N ASP A 35 -0.214 0.474 10.138 1.00 0.00 N ATOM 479 CA ASP A 35 -1.152 -0.638 10.233 1.00 0.00 C ATOM 480 C ASP A 35 -1.493 -1.183 8.853 1.00 0.00 C ATOM 481 O ASP A 35 -1.380 -2.383 8.606 1.00 0.00 O ATOM 482 CB ASP A 35 -2.434 -0.204 10.946 1.00 0.00 C ATOM 483 CG ASP A 35 -3.459 -1.321 11.029 1.00 0.00 C ATOM 484 OD1 ASP A 35 -3.368 -2.146 11.963 1.00 0.00 O ATOM 485 OD2 ASP A 35 -4.358 -1.378 10.164 1.00 0.00 O ATOM 0 H ASP A 35 -0.524 1.326 10.606 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.672 -1.427 10.812 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.189 0.136 11.952 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.869 0.646 10.420 1.00 0.00 H new ATOM 490 N ALA A 36 -1.875 -0.288 7.950 1.00 0.00 N ATOM 491 CA ALA A 36 -2.288 -0.681 6.612 1.00 0.00 C ATOM 492 C ALA A 36 -1.158 -1.366 5.850 1.00 0.00 C ATOM 493 O ALA A 36 -1.332 -2.472 5.350 1.00 0.00 O ATOM 494 CB ALA A 36 -2.791 0.522 5.838 1.00 0.00 C ATOM 0 H ALA A 36 -1.907 0.717 8.122 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.100 -1.401 6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.096 0.210 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.644 0.959 6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.995 1.263 5.760 1.00 0.00 H new ATOM 500 N VAL A 37 0.002 -0.716 5.776 1.00 0.00 N ATOM 501 CA VAL A 37 1.125 -1.239 4.998 1.00 0.00 C ATOM 502 C VAL A 37 1.574 -2.605 5.517 1.00 0.00 C ATOM 503 O VAL A 37 1.794 -3.537 4.736 1.00 0.00 O ATOM 504 CB VAL A 37 2.326 -0.263 4.996 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.528 -0.876 4.293 1.00 0.00 C ATOM 506 CG2 VAL A 37 1.945 1.048 4.330 1.00 0.00 C ATOM 0 H VAL A 37 0.189 0.171 6.243 1.00 0.00 H new ATOM 0 HA VAL A 37 0.769 -1.350 3.974 1.00 0.00 H new ATOM 0 HB VAL A 37 2.599 -0.066 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.357 -0.169 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.823 -1.791 4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.266 -1.109 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.801 1.722 4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.641 0.858 3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.118 1.505 4.874 1.00 0.00 H new ATOM 516 N ASN A 38 1.688 -2.730 6.833 1.00 0.00 N ATOM 517 CA ASN A 38 2.108 -3.988 7.443 1.00 0.00 C ATOM 518 C ASN A 38 1.060 -5.066 7.207 1.00 0.00 C ATOM 519 O ASN A 38 1.392 -6.214 6.899 1.00 0.00 O ATOM 520 CB ASN A 38 2.370 -3.811 8.942 1.00 0.00 C ATOM 521 CG ASN A 38 3.526 -2.872 9.218 1.00 0.00 C ATOM 522 OD1 ASN A 38 4.461 -2.769 8.421 1.00 0.00 O ATOM 523 ND2 ASN A 38 3.468 -2.181 10.340 1.00 0.00 N ATOM 0 H ASN A 38 1.497 -1.980 7.497 1.00 0.00 H new ATOM 0 HA ASN A 38 3.041 -4.300 6.973 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.470 -3.427 9.423 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.580 -4.783 9.389 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.216 -1.530 10.577 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.675 -2.298 10.971 1.00 0.00 H new ATOM 530 N PHE A 39 -0.203 -4.677 7.326 1.00 0.00 N ATOM 531 CA PHE A 39 -1.322 -5.576 7.078 1.00 0.00 C ATOM 532 C PHE A 39 -1.298 -6.060 5.629 1.00 0.00 C ATOM 533 O PHE A 39 -1.403 -7.256 5.361 1.00 0.00 O ATOM 534 CB PHE A 39 -2.639 -4.851 7.377 1.00 0.00 C ATOM 535 CG PHE A 39 -3.868 -5.710 7.286 1.00 0.00 C ATOM 536 CD1 PHE A 39 -4.184 -6.600 8.298 1.00 0.00 C ATOM 537 CD2 PHE A 39 -4.715 -5.613 6.195 1.00 0.00 C ATOM 538 CE1 PHE A 39 -5.322 -7.381 8.223 1.00 0.00 C ATOM 539 CE2 PHE A 39 -5.855 -6.390 6.115 1.00 0.00 C ATOM 540 CZ PHE A 39 -6.158 -7.276 7.130 1.00 0.00 C ATOM 0 H PHE A 39 -0.480 -3.733 7.596 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.238 -6.444 7.732 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.584 -4.426 8.379 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.744 -4.017 6.683 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.534 -6.685 9.156 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.482 -4.923 5.398 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.557 -8.072 9.019 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.508 -6.304 5.259 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.047 -7.886 7.069 1.00 0.00 H new ATOM 550 N LEU A 40 -1.130 -5.120 4.705 1.00 0.00 N ATOM 551 CA LEU A 40 -1.106 -5.429 3.278 1.00 0.00 C ATOM 552 C LEU A 40 -0.039 -6.467 2.953 1.00 0.00 C ATOM 553 O LEU A 40 -0.286 -7.407 2.195 1.00 0.00 O ATOM 554 CB LEU A 40 -0.850 -4.161 2.457 1.00 0.00 C ATOM 555 CG LEU A 40 -1.932 -3.086 2.550 1.00 0.00 C ATOM 556 CD1 LEU A 40 -1.528 -1.847 1.767 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.260 -3.626 2.051 1.00 0.00 C ATOM 0 H LEU A 40 -1.008 -4.131 4.920 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.081 -5.839 3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.097 -3.727 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.733 -4.444 1.411 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.046 -2.803 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.312 -1.094 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.599 -1.447 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.383 -2.110 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.020 -2.848 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.159 -3.938 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.557 -4.481 2.659 1.00 0.00 H new ATOM 569 N LYS A 41 1.142 -6.291 3.524 1.00 0.00 N ATOM 570 CA LYS A 41 2.252 -7.196 3.268 1.00 0.00 C ATOM 571 C LYS A 41 1.973 -8.580 3.847 1.00 0.00 C ATOM 572 O LYS A 41 2.292 -9.599 3.234 1.00 0.00 O ATOM 573 CB LYS A 41 3.546 -6.644 3.870 1.00 0.00 C ATOM 574 CG LYS A 41 4.785 -7.433 3.471 1.00 0.00 C ATOM 575 CD LYS A 41 6.013 -7.019 4.267 1.00 0.00 C ATOM 576 CE LYS A 41 6.084 -7.719 5.621 1.00 0.00 C ATOM 577 NZ LYS A 41 4.978 -7.321 6.534 1.00 0.00 N ATOM 0 H LYS A 41 1.357 -5.530 4.168 1.00 0.00 H new ATOM 0 HA LYS A 41 2.366 -7.282 2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.669 -5.607 3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.460 -6.642 4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.599 -8.497 3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.978 -7.289 2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.911 -7.249 3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.999 -5.940 4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.053 -8.798 5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.039 -7.490 6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.122 -7.760 7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.968 -6.286 6.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.070 -7.639 6.138 1.00 0.00 H new ATOM 591 N ARG A 42 1.362 -8.605 5.025 1.00 0.00 N ATOM 592 CA ARG A 42 1.136 -9.852 5.744 1.00 0.00 C ATOM 593 C ARG A 42 0.040 -10.686 5.083 1.00 0.00 C ATOM 594 O ARG A 42 0.155 -11.909 4.987 1.00 0.00 O ATOM 595 CB ARG A 42 0.767 -9.561 7.201 1.00 0.00 C ATOM 596 CG ARG A 42 0.692 -10.802 8.074 1.00 0.00 C ATOM 597 CD ARG A 42 0.192 -10.470 9.469 1.00 0.00 C ATOM 598 NE ARG A 42 -1.167 -9.928 9.443 1.00 0.00 N ATOM 599 CZ ARG A 42 -1.733 -9.277 10.457 1.00 0.00 C ATOM 600 NH1 ARG A 42 -1.063 -9.090 11.592 1.00 0.00 N ATOM 601 NH2 ARG A 42 -2.976 -8.822 10.335 1.00 0.00 N ATOM 0 H ARG A 42 1.014 -7.774 5.503 1.00 0.00 H new ATOM 0 HA ARG A 42 2.061 -10.428 5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.502 -8.876 7.622 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.196 -9.051 7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.028 -11.533 7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.678 -11.263 8.139 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.214 -11.368 10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.863 -9.747 9.934 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.716 -10.057 8.593 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.112 -9.446 11.687 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.501 -8.591 12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.491 -8.972 9.468 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.415 -8.323 11.109 1.00 0.00 H new ATOM 615 N GLU A 43 -1.013 -10.023 4.622 1.00 0.00 N ATOM 616 CA GLU A 43 -2.143 -10.723 4.022 1.00 0.00 C ATOM 617 C GLU A 43 -1.825 -11.146 2.589 1.00 0.00 C ATOM 618 O GLU A 43 -2.379 -12.128 2.089 1.00 0.00 O ATOM 619 CB GLU A 43 -3.397 -9.848 4.049 1.00 0.00 C ATOM 620 CG GLU A 43 -3.708 -9.258 5.419 1.00 0.00 C ATOM 621 CD GLU A 43 -3.746 -10.294 6.527 1.00 0.00 C ATOM 622 OE1 GLU A 43 -4.763 -11.009 6.648 1.00 0.00 O ATOM 623 OE2 GLU A 43 -2.762 -10.394 7.291 1.00 0.00 O ATOM 0 H GLU A 43 -1.109 -9.008 4.651 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.332 -11.620 4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.277 -9.035 3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.249 -10.441 3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.958 -8.505 5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.670 -8.747 5.376 1.00 0.00 H new ATOM 630 N GLY A 44 -0.941 -10.401 1.929 1.00 0.00 N ATOM 631 CA GLY A 44 -0.491 -10.790 0.604 1.00 0.00 C ATOM 632 C GLY A 44 -0.928 -9.832 -0.491 1.00 0.00 C ATOM 633 O GLY A 44 -1.172 -10.248 -1.624 1.00 0.00 O ATOM 0 H GLY A 44 -0.530 -9.539 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.597 -10.857 0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.872 -11.786 0.378 1.00 0.00 H new ATOM 637 N TYR A 45 -1.022 -8.549 -0.165 1.00 0.00 N ATOM 638 CA TYR A 45 -1.389 -7.542 -1.155 1.00 0.00 C ATOM 639 C TYR A 45 -0.147 -6.982 -1.839 1.00 0.00 C ATOM 640 O TYR A 45 -0.115 -6.815 -3.060 1.00 0.00 O ATOM 641 CB TYR A 45 -2.185 -6.405 -0.507 1.00 0.00 C ATOM 642 CG TYR A 45 -3.545 -6.819 0.008 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.633 -6.913 -0.850 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.742 -7.109 1.352 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.878 -7.284 -0.384 1.00 0.00 C ATOM 646 CE2 TYR A 45 -4.985 -7.478 1.827 1.00 0.00 C ATOM 647 CZ TYR A 45 -6.050 -7.566 0.955 1.00 0.00 C ATOM 648 OH TYR A 45 -7.291 -7.930 1.423 1.00 0.00 O ATOM 0 H TYR A 45 -0.851 -8.182 0.771 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.017 -8.024 -1.905 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.605 -5.995 0.320 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.313 -5.604 -1.235 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.503 -6.692 -1.899 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.909 -7.045 2.037 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.714 -7.353 -1.065 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.122 -7.697 2.876 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.241 -8.095 2.388 1.00 0.00 H new ATOM 658 N ILE A 46 0.878 -6.694 -1.047 1.00 0.00 N ATOM 659 CA ILE A 46 2.122 -6.144 -1.568 1.00 0.00 C ATOM 660 C ILE A 46 3.323 -6.745 -0.851 1.00 0.00 C ATOM 661 O ILE A 46 3.213 -7.206 0.286 1.00 0.00 O ATOM 662 CB ILE A 46 2.167 -4.594 -1.461 1.00 0.00 C ATOM 663 CG1 ILE A 46 1.659 -4.099 -0.098 1.00 0.00 C ATOM 664 CG2 ILE A 46 1.369 -3.953 -2.584 1.00 0.00 C ATOM 665 CD1 ILE A 46 2.660 -4.224 1.031 1.00 0.00 C ATOM 0 H ILE A 46 0.871 -6.833 -0.037 1.00 0.00 H new ATOM 0 HA ILE A 46 2.165 -6.409 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 46 3.211 -4.295 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.366 -3.053 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.762 -4.659 0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.414 -2.868 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.789 -4.251 -3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.331 -4.279 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.216 -3.851 1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.936 -5.271 1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.550 -3.640 0.795 1.00 0.00 H new ATOM 677 N ILE A 47 4.463 -6.750 -1.522 1.00 0.00 N ATOM 678 CA ILE A 47 5.699 -7.248 -0.934 1.00 0.00 C ATOM 679 C ILE A 47 6.832 -6.268 -1.206 1.00 0.00 C ATOM 680 O ILE A 47 6.645 -5.286 -1.923 1.00 0.00 O ATOM 681 CB ILE A 47 6.106 -8.655 -1.460 1.00 0.00 C ATOM 682 CG1 ILE A 47 6.443 -8.633 -2.966 1.00 0.00 C ATOM 683 CG2 ILE A 47 5.014 -9.678 -1.167 1.00 0.00 C ATOM 684 CD1 ILE A 47 5.246 -8.505 -3.891 1.00 0.00 C ATOM 0 H ILE A 47 4.560 -6.413 -2.480 1.00 0.00 H new ATOM 0 HA ILE A 47 5.516 -7.343 0.136 1.00 0.00 H new ATOM 0 HB ILE A 47 7.011 -8.950 -0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.122 -7.802 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.980 -9.548 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.320 -10.654 -1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.851 -9.739 -0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.089 -9.374 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.586 -8.499 -4.927 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.574 -9.349 -3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.718 -7.576 -3.677 1.00 0.00 H new ATOM 696 N GLY A 48 7.997 -6.525 -0.624 1.00 0.00 N ATOM 697 CA GLY A 48 9.142 -5.668 -0.862 1.00 0.00 C ATOM 698 C GLY A 48 9.258 -4.548 0.152 1.00 0.00 C ATOM 699 O GLY A 48 10.016 -3.597 -0.048 1.00 0.00 O ATOM 0 H GLY A 48 8.169 -7.308 0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.051 -6.269 -0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.068 -5.240 -1.862 1.00 0.00 H new ATOM 703 N VAL A 49 8.505 -4.654 1.236 1.00 0.00 N ATOM 704 CA VAL A 49 8.518 -3.638 2.277 1.00 0.00 C ATOM 705 C VAL A 49 9.736 -3.816 3.180 1.00 0.00 C ATOM 706 O VAL A 49 9.897 -4.857 3.820 1.00 0.00 O ATOM 707 CB VAL A 49 7.231 -3.688 3.124 1.00 0.00 C ATOM 708 CG1 VAL A 49 7.221 -2.575 4.157 1.00 0.00 C ATOM 709 CG2 VAL A 49 6.004 -3.596 2.234 1.00 0.00 C ATOM 0 H VAL A 49 7.876 -5.436 1.418 1.00 0.00 H new ATOM 0 HA VAL A 49 8.571 -2.665 1.789 1.00 0.00 H new ATOM 0 HB VAL A 49 7.208 -4.642 3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.303 -2.630 4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.081 -2.684 4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.272 -1.610 3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.105 -3.633 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.026 -2.658 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.999 -4.431 1.534 1.00 0.00 H new ATOM 719 N HIS A 50 10.585 -2.799 3.219 1.00 0.00 N ATOM 720 CA HIS A 50 11.822 -2.852 3.985 1.00 0.00 C ATOM 721 C HIS A 50 11.603 -2.326 5.401 1.00 0.00 C ATOM 722 O HIS A 50 11.135 -1.202 5.590 1.00 0.00 O ATOM 723 CB HIS A 50 12.907 -2.029 3.278 1.00 0.00 C ATOM 724 CG HIS A 50 14.260 -2.117 3.920 1.00 0.00 C ATOM 725 ND1 HIS A 50 15.137 -3.150 3.683 1.00 0.00 N ATOM 726 CD2 HIS A 50 14.887 -1.287 4.786 1.00 0.00 C ATOM 727 CE1 HIS A 50 16.243 -2.954 4.374 1.00 0.00 C ATOM 728 NE2 HIS A 50 16.118 -1.831 5.053 1.00 0.00 N ATOM 0 H HIS A 50 10.437 -1.919 2.724 1.00 0.00 H new ATOM 0 HA HIS A 50 12.146 -3.891 4.052 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.985 -2.364 2.244 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.596 -0.985 3.252 1.00 0.00 H new ATOM 0 HD2 HIS A 50 14.492 -0.367 5.192 1.00 0.00 H new ATOM 0 HE1 HIS A 50 17.106 -3.604 4.382 1.00 0.00 H new ATOM 0 HE2 HIS A 50 16.821 -1.432 5.675 1.00 0.00 H new ATOM 737 N TYR A 51 11.946 -3.138 6.392 1.00 0.00 N ATOM 738 CA TYR A 51 11.797 -2.751 7.789 1.00 0.00 C ATOM 739 C TYR A 51 13.138 -2.353 8.389 1.00 0.00 C ATOM 740 O TYR A 51 14.187 -2.807 7.936 1.00 0.00 O ATOM 741 CB TYR A 51 11.183 -3.896 8.600 1.00 0.00 C ATOM 742 CG TYR A 51 9.730 -4.155 8.277 1.00 0.00 C ATOM 743 CD1 TYR A 51 9.365 -4.858 7.135 1.00 0.00 C ATOM 744 CD2 TYR A 51 8.721 -3.697 9.114 1.00 0.00 C ATOM 745 CE1 TYR A 51 8.039 -5.090 6.834 1.00 0.00 C ATOM 746 CE2 TYR A 51 7.389 -3.928 8.822 1.00 0.00 C ATOM 747 CZ TYR A 51 7.054 -4.624 7.682 1.00 0.00 C ATOM 748 OH TYR A 51 5.729 -4.851 7.380 1.00 0.00 O ATOM 0 H TYR A 51 12.331 -4.072 6.254 1.00 0.00 H new ATOM 0 HA TYR A 51 11.130 -1.890 7.829 1.00 0.00 H new ATOM 0 HB2 TYR A 51 11.755 -4.806 8.418 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.275 -3.668 9.662 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.133 -5.229 6.472 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.981 -3.151 10.009 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.773 -5.633 5.940 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.617 -3.565 9.484 1.00 0.00 H new ATOM 0 HH TYR A 51 5.220 -4.022 7.499 1.00 0.00 H new ATOM 758 N SER A 52 13.096 -1.493 9.400 1.00 0.00 N ATOM 759 CA SER A 52 14.305 -1.091 10.103 1.00 0.00 C ATOM 760 C SER A 52 14.583 -2.064 11.235 1.00 0.00 C ATOM 761 O SER A 52 15.721 -2.465 11.471 1.00 0.00 O ATOM 762 CB SER A 52 14.147 0.324 10.650 1.00 0.00 C ATOM 763 OG SER A 52 13.504 1.161 9.703 1.00 0.00 O ATOM 0 H SER A 52 12.240 -1.063 9.749 1.00 0.00 H new ATOM 0 HA SER A 52 15.145 -1.103 9.409 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.568 0.299 11.573 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.126 0.734 10.899 1.00 0.00 H new ATOM 0 HG SER A 52 12.544 0.964 9.691 1.00 0.00 H new ATOM 769 N ASP A 53 13.509 -2.444 11.908 1.00 0.00 N ATOM 770 CA ASP A 53 13.551 -3.389 13.015 1.00 0.00 C ATOM 771 C ASP A 53 12.145 -3.556 13.560 1.00 0.00 C ATOM 772 O ASP A 53 11.763 -4.630 14.026 1.00 0.00 O ATOM 773 CB ASP A 53 14.486 -2.916 14.133 1.00 0.00 C ATOM 774 CG ASP A 53 14.556 -3.904 15.285 1.00 0.00 C ATOM 775 OD1 ASP A 53 14.995 -5.052 15.068 1.00 0.00 O ATOM 776 OD2 ASP A 53 14.161 -3.540 16.412 1.00 0.00 O ATOM 0 H ASP A 53 12.571 -2.101 11.699 1.00 0.00 H new ATOM 0 HA ASP A 53 13.938 -4.339 12.647 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.486 -2.764 13.727 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.143 -1.951 14.506 1.00 0.00 H new ATOM 781 N ASP A 54 11.370 -2.481 13.481 1.00 0.00 N ATOM 782 CA ASP A 54 9.977 -2.519 13.919 1.00 0.00 C ATOM 783 C ASP A 54 9.065 -1.820 12.914 1.00 0.00 C ATOM 784 O ASP A 54 7.971 -2.301 12.634 1.00 0.00 O ATOM 785 CB ASP A 54 9.810 -1.899 15.316 1.00 0.00 C ATOM 786 CG ASP A 54 10.017 -0.397 15.346 1.00 0.00 C ATOM 787 OD1 ASP A 54 11.185 0.047 15.357 1.00 0.00 O ATOM 788 OD2 ASP A 54 9.018 0.343 15.376 1.00 0.00 O ATOM 0 H ASP A 54 11.678 -1.578 13.121 1.00 0.00 H new ATOM 0 HA ASP A 54 9.684 -3.567 13.978 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.811 -2.126 15.687 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.518 -2.368 15.999 1.00 0.00 H new ATOM 793 N ARG A 55 9.516 -0.704 12.355 1.00 0.00 N ATOM 794 CA ARG A 55 8.707 0.030 11.392 1.00 0.00 C ATOM 795 C ARG A 55 9.391 0.099 10.037 1.00 0.00 C ATOM 796 O ARG A 55 10.625 0.136 9.946 1.00 0.00 O ATOM 797 CB ARG A 55 8.364 1.428 11.910 1.00 0.00 C ATOM 798 CG ARG A 55 7.300 1.396 12.994 1.00 0.00 C ATOM 799 CD ARG A 55 6.783 2.778 13.349 1.00 0.00 C ATOM 800 NE ARG A 55 5.628 2.696 14.245 1.00 0.00 N ATOM 801 CZ ARG A 55 4.832 3.720 14.549 1.00 0.00 C ATOM 802 NH1 ARG A 55 5.078 4.932 14.059 1.00 0.00 N ATOM 803 NH2 ARG A 55 3.796 3.532 15.356 1.00 0.00 N ATOM 0 H ARG A 55 10.428 -0.291 12.550 1.00 0.00 H new ATOM 0 HA ARG A 55 7.772 -0.515 11.263 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.265 1.899 12.302 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.017 2.045 11.081 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.468 0.776 12.662 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.711 0.926 13.887 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.576 3.355 13.825 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.504 3.310 12.439 1.00 0.00 H new ATOM 0 HE ARG A 55 5.418 1.791 14.666 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.880 5.081 13.447 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.465 5.712 14.296 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.611 2.606 15.741 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.184 4.314 15.591 1.00 0.00 H new ATOM 817 N PRO A 56 8.591 0.092 8.967 1.00 0.00 N ATOM 818 CA PRO A 56 9.090 0.035 7.603 1.00 0.00 C ATOM 819 C PRO A 56 9.434 1.398 7.015 1.00 0.00 C ATOM 820 O PRO A 56 8.997 2.442 7.505 1.00 0.00 O ATOM 821 CB PRO A 56 7.916 -0.580 6.851 1.00 0.00 C ATOM 822 CG PRO A 56 6.706 -0.082 7.564 1.00 0.00 C ATOM 823 CD PRO A 56 7.111 0.121 9.005 1.00 0.00 C ATOM 0 HA PRO A 56 10.024 -0.523 7.541 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.913 -0.275 5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.964 -1.669 6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.354 0.851 7.125 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.888 -0.799 7.488 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.740 1.069 9.394 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.712 -0.665 9.646 1.00 0.00 H new ATOM 831 N HIS A 57 10.245 1.367 5.969 1.00 0.00 N ATOM 832 CA HIS A 57 10.536 2.538 5.161 1.00 0.00 C ATOM 833 C HIS A 57 10.515 2.129 3.702 1.00 0.00 C ATOM 834 O HIS A 57 11.181 1.168 3.310 1.00 0.00 O ATOM 835 CB HIS A 57 11.897 3.157 5.509 1.00 0.00 C ATOM 836 CG HIS A 57 11.953 3.788 6.866 1.00 0.00 C ATOM 837 ND1 HIS A 57 12.580 3.394 7.995 1.00 0.00 N flip ATOM 838 CD2 HIS A 57 11.300 4.961 7.183 1.00 0.00 C flip ATOM 839 CE1 HIS A 57 12.299 4.320 8.965 1.00 0.00 C flip ATOM 840 NE2 HIS A 57 11.525 5.254 8.450 1.00 0.00 N flip ATOM 0 H HIS A 57 10.723 0.522 5.656 1.00 0.00 H new ATOM 0 HA HIS A 57 9.779 3.296 5.363 1.00 0.00 H new ATOM 0 HB2 HIS A 57 12.662 2.383 5.448 1.00 0.00 H new ATOM 0 HB3 HIS A 57 12.144 3.909 4.760 1.00 0.00 H new ATOM 0 HD1 HIS A 57 13.157 2.560 8.106 1.00 0.00 H new ATOM 0 HD2 HIS A 57 10.700 5.547 6.502 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.654 4.289 9.985 1.00 0.00 H new ATOM 849 N LEU A 58 9.741 2.833 2.905 1.00 0.00 N ATOM 850 CA LEU A 58 9.613 2.497 1.503 1.00 0.00 C ATOM 851 C LEU A 58 10.694 3.205 0.702 1.00 0.00 C ATOM 852 O LEU A 58 11.214 4.238 1.124 1.00 0.00 O ATOM 853 CB LEU A 58 8.219 2.870 0.992 1.00 0.00 C ATOM 854 CG LEU A 58 7.060 2.200 1.737 1.00 0.00 C ATOM 855 CD1 LEU A 58 5.726 2.666 1.181 1.00 0.00 C ATOM 856 CD2 LEU A 58 7.172 0.686 1.654 1.00 0.00 C ATOM 0 H LEU A 58 9.192 3.640 3.202 1.00 0.00 H new ATOM 0 HA LEU A 58 9.740 1.421 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.100 3.951 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.153 2.609 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 58 7.116 2.491 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.916 2.179 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.641 3.747 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.662 2.408 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.339 0.230 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.145 0.376 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.112 0.365 2.104 1.00 0.00 H new ATOM 868 N TYR A 59 11.044 2.638 -0.438 1.00 0.00 N ATOM 869 CA TYR A 59 12.088 3.201 -1.277 1.00 0.00 C ATOM 870 C TYR A 59 11.625 3.251 -2.720 1.00 0.00 C ATOM 871 O TYR A 59 10.500 2.882 -3.023 1.00 0.00 O ATOM 872 CB TYR A 59 13.382 2.388 -1.155 1.00 0.00 C ATOM 873 CG TYR A 59 13.993 2.453 0.224 1.00 0.00 C ATOM 874 CD1 TYR A 59 14.662 3.592 0.653 1.00 0.00 C ATOM 875 CD2 TYR A 59 13.890 1.383 1.102 1.00 0.00 C ATOM 876 CE1 TYR A 59 15.208 3.663 1.919 1.00 0.00 C ATOM 877 CE2 TYR A 59 14.436 1.446 2.367 1.00 0.00 C ATOM 878 CZ TYR A 59 15.092 2.588 2.770 1.00 0.00 C ATOM 879 OH TYR A 59 15.627 2.657 4.034 1.00 0.00 O ATOM 0 H TYR A 59 10.620 1.786 -0.805 1.00 0.00 H new ATOM 0 HA TYR A 59 12.294 4.216 -0.939 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.176 1.348 -1.406 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.105 2.755 -1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 59 14.757 4.436 -0.015 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.374 0.487 0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 59 15.723 4.557 2.239 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.350 0.604 3.038 1.00 0.00 H new ATOM 0 HH TYR A 59 15.458 1.816 4.507 1.00 0.00 H new ATOM 889 N LYS A 60 12.506 3.692 -3.603 1.00 0.00 N ATOM 890 CA LYS A 60 12.162 3.873 -5.009 1.00 0.00 C ATOM 891 C LYS A 60 12.041 2.531 -5.727 1.00 0.00 C ATOM 892 O LYS A 60 11.511 2.448 -6.836 1.00 0.00 O ATOM 893 CB LYS A 60 13.220 4.747 -5.683 1.00 0.00 C ATOM 894 CG LYS A 60 13.234 6.177 -5.168 1.00 0.00 C ATOM 895 CD LYS A 60 14.618 6.801 -5.272 1.00 0.00 C ATOM 896 CE LYS A 60 15.566 6.218 -4.237 1.00 0.00 C ATOM 897 NZ LYS A 60 16.919 6.827 -4.310 1.00 0.00 N ATOM 0 H LYS A 60 13.470 3.933 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 60 11.192 4.366 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.203 4.302 -5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.042 4.757 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.522 6.775 -5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.905 6.192 -4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.020 6.634 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.544 7.880 -5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.153 6.373 -3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.646 5.141 -4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.532 6.399 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.326 6.658 -5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.848 7.851 -4.143 1.00 0.00 H new ATOM 911 N LEU A 61 12.553 1.486 -5.096 1.00 0.00 N ATOM 912 CA LEU A 61 12.421 0.134 -5.618 1.00 0.00 C ATOM 913 C LEU A 61 12.314 -0.859 -4.468 1.00 0.00 C ATOM 914 O LEU A 61 12.914 -0.661 -3.405 1.00 0.00 O ATOM 915 CB LEU A 61 13.587 -0.217 -6.560 1.00 0.00 C ATOM 916 CG LEU A 61 15.005 -0.018 -6.007 1.00 0.00 C ATOM 917 CD1 LEU A 61 15.436 -1.199 -5.149 1.00 0.00 C ATOM 918 CD2 LEU A 61 15.986 0.189 -7.147 1.00 0.00 C ATOM 0 H LEU A 61 13.067 1.549 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 61 11.506 0.076 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.481 -1.260 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.487 0.384 -7.464 1.00 0.00 H new ATOM 0 HG LEU A 61 14.999 0.870 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.444 -1.027 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.749 -1.309 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.423 -2.109 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.989 0.329 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.976 -0.685 -7.799 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.698 1.071 -7.719 1.00 0.00 H new ATOM 930 N GLY A 62 11.529 -1.905 -4.669 1.00 0.00 N ATOM 931 CA GLY A 62 11.321 -2.889 -3.630 1.00 0.00 C ATOM 932 C GLY A 62 9.859 -3.259 -3.487 1.00 0.00 C ATOM 933 O GLY A 62 9.478 -4.390 -3.787 1.00 0.00 O ATOM 0 H GLY A 62 11.030 -2.090 -5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.901 -3.784 -3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.691 -2.500 -2.682 1.00 0.00 H new ATOM 937 N PRO A 63 9.015 -2.319 -3.025 1.00 0.00 N ATOM 938 CA PRO A 63 7.575 -2.544 -2.901 1.00 0.00 C ATOM 939 C PRO A 63 6.924 -2.813 -4.252 1.00 0.00 C ATOM 940 O PRO A 63 7.048 -2.016 -5.188 1.00 0.00 O ATOM 941 CB PRO A 63 7.046 -1.233 -2.301 1.00 0.00 C ATOM 942 CG PRO A 63 8.241 -0.561 -1.715 1.00 0.00 C ATOM 943 CD PRO A 63 9.398 -0.969 -2.575 1.00 0.00 C ATOM 0 HA PRO A 63 7.351 -3.418 -2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.579 -0.611 -3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.290 -1.425 -1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.119 0.522 -1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.395 -0.868 -0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.537 -0.288 -3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.333 -0.980 -2.015 1.00 0.00 H new ATOM 951 N GLU A 64 6.255 -3.946 -4.355 1.00 0.00 N ATOM 952 CA GLU A 64 5.574 -4.325 -5.577 1.00 0.00 C ATOM 953 C GLU A 64 4.222 -4.940 -5.239 1.00 0.00 C ATOM 954 O GLU A 64 4.053 -5.525 -4.164 1.00 0.00 O ATOM 955 CB GLU A 64 6.436 -5.308 -6.374 1.00 0.00 C ATOM 956 CG GLU A 64 6.613 -4.927 -7.837 1.00 0.00 C ATOM 957 CD GLU A 64 5.342 -5.081 -8.647 1.00 0.00 C ATOM 958 OE1 GLU A 64 4.512 -4.146 -8.648 1.00 0.00 O ATOM 959 OE2 GLU A 64 5.170 -6.143 -9.283 1.00 0.00 O ATOM 0 H GLU A 64 6.169 -4.625 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 64 5.410 -3.440 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.418 -5.378 -5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.985 -6.299 -6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.954 -3.893 -7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.395 -5.547 -8.276 1.00 0.00 H new ATOM 966 N LEU A 65 3.268 -4.803 -6.146 1.00 0.00 N ATOM 967 CA LEU A 65 1.915 -5.293 -5.915 1.00 0.00 C ATOM 968 C LEU A 65 1.763 -6.714 -6.440 1.00 0.00 C ATOM 969 O LEU A 65 2.321 -7.063 -7.481 1.00 0.00 O ATOM 970 CB LEU A 65 0.874 -4.382 -6.581 1.00 0.00 C ATOM 971 CG LEU A 65 0.605 -3.042 -5.881 1.00 0.00 C ATOM 972 CD1 LEU A 65 1.787 -2.095 -6.020 1.00 0.00 C ATOM 973 CD2 LEU A 65 -0.661 -2.405 -6.434 1.00 0.00 C ATOM 0 H LEU A 65 3.405 -4.355 -7.052 1.00 0.00 H new ATOM 0 HA LEU A 65 1.742 -5.289 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.199 -4.177 -7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.067 -4.928 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 65 0.465 -3.239 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.563 -1.156 -5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.671 -2.548 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.976 -1.901 -7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.841 -1.456 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.544 -2.231 -7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.507 -3.071 -6.266 1.00 0.00 H new ATOM 985 N THR A 66 1.014 -7.533 -5.715 1.00 0.00 N ATOM 986 CA THR A 66 0.770 -8.906 -6.125 1.00 0.00 C ATOM 987 C THR A 66 -0.451 -8.976 -7.037 1.00 0.00 C ATOM 988 O THR A 66 -1.088 -7.955 -7.315 1.00 0.00 O ATOM 989 CB THR A 66 0.536 -9.825 -4.907 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.649 -9.415 -4.211 1.00 0.00 O ATOM 991 CG2 THR A 66 1.726 -9.787 -3.957 1.00 0.00 C ATOM 0 H THR A 66 0.565 -7.268 -4.838 1.00 0.00 H new ATOM 0 HA THR A 66 1.656 -9.249 -6.660 1.00 0.00 H new ATOM 0 HB THR A 66 0.416 -10.847 -5.268 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.663 -9.824 -3.321 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.535 -10.443 -3.108 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.621 -10.123 -4.481 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.875 -8.768 -3.601 1.00 0.00 H new ATOM 999 N GLU A 67 -0.773 -10.179 -7.494 1.00 0.00 N ATOM 1000 CA GLU A 67 -1.993 -10.414 -8.250 1.00 0.00 C ATOM 1001 C GLU A 67 -3.201 -9.984 -7.426 1.00 0.00 C ATOM 1002 O GLU A 67 -4.145 -9.382 -7.947 1.00 0.00 O ATOM 1003 CB GLU A 67 -2.078 -11.902 -8.632 1.00 0.00 C ATOM 1004 CG GLU A 67 -3.434 -12.369 -9.156 1.00 0.00 C ATOM 1005 CD GLU A 67 -4.380 -12.795 -8.043 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -4.014 -13.697 -7.259 1.00 0.00 O ATOM 1007 OE2 GLU A 67 -5.491 -12.241 -7.949 1.00 0.00 O ATOM 0 H GLU A 67 -0.201 -11.011 -7.352 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.983 -9.824 -9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.324 -12.108 -9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.821 -12.499 -7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.894 -11.564 -9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.286 -13.204 -9.841 1.00 0.00 H new ATOM 1014 N LYS A 68 -3.140 -10.266 -6.129 1.00 0.00 N ATOM 1015 CA LYS A 68 -4.241 -9.971 -5.232 1.00 0.00 C ATOM 1016 C LYS A 68 -4.459 -8.468 -5.133 1.00 0.00 C ATOM 1017 O LYS A 68 -5.593 -8.001 -5.155 1.00 0.00 O ATOM 1018 CB LYS A 68 -3.974 -10.554 -3.841 1.00 0.00 C ATOM 1019 CG LYS A 68 -5.243 -10.977 -3.123 1.00 0.00 C ATOM 1020 CD LYS A 68 -5.963 -12.060 -3.913 1.00 0.00 C ATOM 1021 CE LYS A 68 -5.132 -13.333 -3.987 1.00 0.00 C ATOM 1022 NZ LYS A 68 -5.566 -14.222 -5.095 1.00 0.00 N ATOM 0 H LYS A 68 -2.335 -10.700 -5.678 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.142 -10.431 -5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.312 -11.415 -3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.451 -9.813 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.999 -11.346 -2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.899 -10.116 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.924 -12.277 -3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.172 -11.700 -4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.082 -13.072 -4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.208 -13.870 -3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.736 -15.179 -4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.443 -13.852 -5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.823 -14.258 -5.822 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.362 -7.720 -5.043 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.447 -6.272 -4.955 1.00 0.00 C ATOM 1038 C GLY A 69 -4.098 -5.653 -6.177 1.00 0.00 C ATOM 1039 O GLY A 69 -5.004 -4.827 -6.053 1.00 0.00 O ATOM 0 H GLY A 69 -2.413 -8.093 -5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.016 -5.998 -4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.446 -5.859 -4.832 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.651 -6.072 -7.356 1.00 0.00 N ATOM 1044 CA GLU A 70 -4.169 -5.540 -8.615 1.00 0.00 C ATOM 1045 C GLU A 70 -5.656 -5.840 -8.787 1.00 0.00 C ATOM 1046 O GLU A 70 -6.435 -4.960 -9.167 1.00 0.00 O ATOM 1047 CB GLU A 70 -3.373 -6.109 -9.790 1.00 0.00 C ATOM 1048 CG GLU A 70 -2.073 -5.372 -10.060 1.00 0.00 C ATOM 1049 CD GLU A 70 -2.303 -4.051 -10.769 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -2.795 -3.102 -10.133 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -2.016 -3.970 -11.983 1.00 0.00 O ATOM 0 H GLU A 70 -2.927 -6.782 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.054 -4.456 -8.592 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.152 -7.158 -9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.992 -6.076 -10.687 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.556 -5.192 -9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.420 -6.000 -10.666 1.00 0.00 H new ATOM 1058 N ASN A 71 -6.055 -7.074 -8.499 1.00 0.00 N ATOM 1059 CA ASN A 71 -7.453 -7.471 -8.647 1.00 0.00 C ATOM 1060 C ASN A 71 -8.316 -6.866 -7.548 1.00 0.00 C ATOM 1061 O ASN A 71 -9.522 -6.680 -7.724 1.00 0.00 O ATOM 1062 CB ASN A 71 -7.600 -8.995 -8.645 1.00 0.00 C ATOM 1063 CG ASN A 71 -7.154 -9.623 -9.953 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -7.935 -9.737 -10.897 1.00 0.00 O ATOM 1065 ND2 ASN A 71 -5.903 -10.047 -10.013 1.00 0.00 N ATOM 0 H ASN A 71 -5.437 -7.813 -8.164 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.796 -7.090 -9.609 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.013 -9.412 -7.827 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.641 -9.256 -8.457 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.554 -10.487 -10.864 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.287 -9.934 -9.208 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.697 -6.558 -6.417 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.407 -5.957 -5.299 1.00 0.00 C ATOM 1074 C TYR A 72 -8.821 -4.530 -5.646 1.00 0.00 C ATOM 1075 O TYR A 72 -9.930 -4.101 -5.325 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.524 -5.966 -4.049 1.00 0.00 C ATOM 1077 CG TYR A 72 -8.238 -5.551 -2.785 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -9.037 -6.451 -2.091 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -8.105 -4.264 -2.281 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -9.686 -6.081 -0.930 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -8.753 -3.884 -1.123 1.00 0.00 C ATOM 1082 CZ TYR A 72 -9.540 -4.795 -0.452 1.00 0.00 C ATOM 1083 OH TYR A 72 -10.180 -4.420 0.707 1.00 0.00 O ATOM 0 H TYR A 72 -6.703 -6.715 -6.250 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.305 -6.541 -5.096 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.118 -6.968 -3.912 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.677 -5.299 -4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.152 -7.457 -2.466 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.485 -3.550 -2.803 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.303 -6.792 -0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.644 -2.878 -0.745 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.973 -3.483 0.907 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.922 -3.812 -6.315 1.00 0.00 N ATOM 1094 CA LEU A 73 -8.187 -2.444 -6.762 1.00 0.00 C ATOM 1095 C LEU A 73 -9.451 -2.389 -7.616 1.00 0.00 C ATOM 1096 O LEU A 73 -10.247 -1.456 -7.512 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.999 -1.913 -7.574 1.00 0.00 C ATOM 1098 CG LEU A 73 -5.680 -1.779 -6.808 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -4.527 -1.567 -7.775 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -5.750 -0.627 -5.819 1.00 0.00 C ATOM 0 H LEU A 73 -6.995 -4.158 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.331 -1.821 -5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.839 -2.575 -8.425 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.265 -0.936 -7.977 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.510 -2.702 -6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.596 -1.473 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.459 -2.418 -8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.698 -0.657 -8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.803 -0.548 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.942 0.302 -6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.555 -0.808 -5.106 1.00 0.00 H new ATOM 1112 N LYS A 74 -9.629 -3.419 -8.439 1.00 0.00 N ATOM 1113 CA LYS A 74 -10.761 -3.499 -9.354 1.00 0.00 C ATOM 1114 C LYS A 74 -12.087 -3.387 -8.605 1.00 0.00 C ATOM 1115 O LYS A 74 -12.963 -2.611 -8.987 1.00 0.00 O ATOM 1116 CB LYS A 74 -10.707 -4.816 -10.136 1.00 0.00 C ATOM 1117 CG LYS A 74 -11.835 -4.985 -11.141 1.00 0.00 C ATOM 1118 CD LYS A 74 -11.678 -6.270 -11.938 1.00 0.00 C ATOM 1119 CE LYS A 74 -12.759 -6.414 -12.999 1.00 0.00 C ATOM 1120 NZ LYS A 74 -12.774 -5.262 -13.941 1.00 0.00 N ATOM 0 H LYS A 74 -8.996 -4.217 -8.490 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.696 -2.662 -10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.754 -4.876 -10.662 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.735 -5.647 -9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.792 -4.993 -10.619 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.850 -4.133 -11.820 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.698 -6.285 -12.414 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.717 -7.124 -11.262 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.598 -7.336 -13.557 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.732 -6.499 -12.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.321 -5.514 -14.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.212 -4.440 -13.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.799 -5.026 -14.216 1.00 0.00 H new ATOM 1134 N GLU A 75 -12.230 -4.153 -7.531 1.00 0.00 N ATOM 1135 CA GLU A 75 -13.474 -4.161 -6.775 1.00 0.00 C ATOM 1136 C GLU A 75 -13.507 -3.030 -5.749 1.00 0.00 C ATOM 1137 O GLU A 75 -14.565 -2.468 -5.473 1.00 0.00 O ATOM 1138 CB GLU A 75 -13.689 -5.521 -6.105 1.00 0.00 C ATOM 1139 CG GLU A 75 -13.873 -6.652 -7.110 1.00 0.00 C ATOM 1140 CD GLU A 75 -14.214 -7.980 -6.467 1.00 0.00 C ATOM 1141 OE1 GLU A 75 -15.402 -8.208 -6.153 1.00 0.00 O ATOM 1142 OE2 GLU A 75 -13.300 -8.810 -6.290 1.00 0.00 O ATOM 0 H GLU A 75 -11.506 -4.772 -7.167 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.294 -3.993 -7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.835 -5.745 -5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.566 -5.468 -5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.665 -6.382 -7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.958 -6.763 -7.692 1.00 0.00 H new ATOM 1149 N ASN A 76 -12.344 -2.667 -5.218 1.00 0.00 N ATOM 1150 CA ASN A 76 -12.249 -1.570 -4.250 1.00 0.00 C ATOM 1151 C ASN A 76 -12.355 -0.228 -4.947 1.00 0.00 C ATOM 1152 O ASN A 76 -12.168 0.816 -4.329 1.00 0.00 O ATOM 1153 CB ASN A 76 -10.959 -1.647 -3.435 1.00 0.00 C ATOM 1154 CG ASN A 76 -11.206 -1.372 -1.961 1.00 0.00 C ATOM 1155 OD1 ASN A 76 -11.168 -0.109 -1.576 1.00 0.00 O flip ATOM 1156 ND2 ASN A 76 -11.443 -2.289 -1.180 1.00 0.00 N flip ATOM 0 H ASN A 76 -11.453 -3.113 -5.438 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.085 -1.672 -3.559 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.514 -2.635 -3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.240 -0.926 -3.824 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.464 -3.252 -1.515 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.619 -2.088 -0.196 1.00 0.00 H new ATOM 1163 N GLY A 77 -12.626 -0.263 -6.246 1.00 0.00 N ATOM 1164 CA GLY A 77 -13.071 0.929 -6.937 1.00 0.00 C ATOM 1165 C GLY A 77 -14.377 1.442 -6.351 1.00 0.00 C ATOM 1166 O GLY A 77 -14.735 2.606 -6.526 1.00 0.00 O ATOM 0 H GLY A 77 -12.545 -1.095 -6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.307 1.703 -6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.204 0.711 -7.997 1.00 0.00 H new ATOM 1170 N THR A 78 -15.091 0.555 -5.653 1.00 0.00 N ATOM 1171 CA THR A 78 -16.286 0.936 -4.909 1.00 0.00 C ATOM 1172 C THR A 78 -15.873 1.601 -3.592 1.00 0.00 C ATOM 1173 O THR A 78 -16.673 2.284 -2.949 1.00 0.00 O ATOM 1174 CB THR A 78 -17.200 -0.285 -4.634 1.00 0.00 C ATOM 1175 OG1 THR A 78 -18.507 0.147 -4.240 1.00 0.00 O ATOM 1176 CG2 THR A 78 -16.624 -1.190 -3.551 1.00 0.00 C ATOM 0 H THR A 78 -14.857 -0.436 -5.590 1.00 0.00 H new ATOM 0 HA THR A 78 -16.858 1.641 -5.513 1.00 0.00 H new ATOM 0 HB THR A 78 -17.263 -0.854 -5.562 1.00 0.00 H new ATOM 0 HG1 THR A 78 -19.073 -0.635 -4.071 1.00 0.00 H new ATOM 0 HG21 THR A 78 -17.294 -2.034 -3.388 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.647 -1.558 -3.866 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.518 -0.626 -2.624 1.00 0.00 H new ATOM 1184 N TRP A 79 -14.609 1.376 -3.207 1.00 0.00 N ATOM 1185 CA TRP A 79 -13.974 2.068 -2.085 1.00 0.00 C ATOM 1186 C TRP A 79 -14.500 1.588 -0.736 1.00 0.00 C ATOM 1187 O TRP A 79 -13.823 0.838 -0.035 1.00 0.00 O ATOM 1188 CB TRP A 79 -14.150 3.573 -2.276 1.00 0.00 C ATOM 1189 CG TRP A 79 -13.600 4.443 -1.179 1.00 0.00 C ATOM 1190 CD1 TRP A 79 -14.289 4.944 -0.112 1.00 0.00 C ATOM 1191 CD2 TRP A 79 -12.261 4.945 -1.061 1.00 0.00 C ATOM 1192 NE1 TRP A 79 -13.463 5.718 0.663 1.00 0.00 N ATOM 1193 CE2 TRP A 79 -12.214 5.732 0.107 1.00 0.00 C ATOM 1194 CE3 TRP A 79 -11.095 4.798 -1.819 1.00 0.00 C ATOM 1195 CZ2 TRP A 79 -11.054 6.376 0.526 1.00 0.00 C ATOM 1196 CZ3 TRP A 79 -9.943 5.438 -1.398 1.00 0.00 C ATOM 1197 CH2 TRP A 79 -9.930 6.216 -0.234 1.00 0.00 C ATOM 0 H TRP A 79 -13.998 0.704 -3.671 1.00 0.00 H new ATOM 0 HA TRP A 79 -12.910 1.833 -2.076 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -13.673 3.859 -3.214 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -15.214 3.784 -2.382 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -15.333 4.758 0.092 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.737 6.205 1.517 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -11.094 4.196 -2.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -11.043 6.981 1.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.037 5.336 -1.978 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.013 6.699 0.069 1.00 0.00 H new ATOM 1208 N SER A 80 -15.697 2.001 -0.385 1.00 0.00 N ATOM 1209 CA SER A 80 -16.284 1.619 0.886 1.00 0.00 C ATOM 1210 C SER A 80 -17.790 1.444 0.754 1.00 0.00 C ATOM 1211 O SER A 80 -18.557 2.379 0.979 1.00 0.00 O ATOM 1212 CB SER A 80 -15.955 2.650 1.973 1.00 0.00 C ATOM 1213 OG SER A 80 -16.434 2.236 3.244 1.00 0.00 O ATOM 0 H SER A 80 -16.286 2.602 -0.961 1.00 0.00 H new ATOM 0 HA SER A 80 -15.852 0.663 1.182 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.876 2.799 2.020 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.398 3.611 1.711 1.00 0.00 H new ATOM 0 HG SER A 80 -16.208 2.913 3.915 1.00 0.00 H new ATOM 1219 N LYS A 81 -18.194 0.246 0.340 1.00 0.00 N ATOM 1220 CA LYS A 81 -19.603 -0.125 0.277 1.00 0.00 C ATOM 1221 C LYS A 81 -19.715 -1.589 -0.137 1.00 0.00 C ATOM 1222 O LYS A 81 -20.652 -1.998 -0.819 1.00 0.00 O ATOM 1223 CB LYS A 81 -20.365 0.774 -0.704 1.00 0.00 C ATOM 1224 CG LYS A 81 -21.877 0.733 -0.514 1.00 0.00 C ATOM 1225 CD LYS A 81 -22.584 1.792 -1.344 1.00 0.00 C ATOM 1226 CE LYS A 81 -22.154 3.197 -0.945 1.00 0.00 C ATOM 1227 NZ LYS A 81 -22.417 3.485 0.494 1.00 0.00 N ATOM 0 H LYS A 81 -17.556 -0.491 0.040 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.052 0.010 1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -20.019 1.801 -0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -20.126 0.471 -1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -22.250 -0.253 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -22.114 0.880 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -22.368 1.631 -2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -23.662 1.692 -1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -21.090 3.320 -1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.683 3.924 -1.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -22.301 4.503 0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -23.388 3.201 0.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -21.745 2.952 1.083 1.00 0.00 H new ATOM 1241 N ALA A 82 -18.750 -2.378 0.308 1.00 0.00 N ATOM 1242 CA ALA A 82 -18.697 -3.788 -0.043 1.00 0.00 C ATOM 1243 C ALA A 82 -19.562 -4.615 0.900 1.00 0.00 C ATOM 1244 O ALA A 82 -19.133 -4.985 1.994 1.00 0.00 O ATOM 1245 CB ALA A 82 -17.260 -4.287 -0.027 1.00 0.00 C ATOM 0 H ALA A 82 -17.992 -2.065 0.914 1.00 0.00 H new ATOM 0 HA ALA A 82 -19.092 -3.903 -1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.239 -5.344 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.670 -3.720 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.840 -4.154 0.970 1.00 0.00 H new TER 1251 ALA A 82