USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 576 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 50 THR OG1 : rot -100:sc= 1.23 USER MOD Set 1.2: A 59 ASN : amide:sc= 0.993 K(o=2.2,f=1) USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0.801 USER MOD Set 2.2: A 49 SER OG : rot -135:sc= 0.919 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 23 TYR OH : rot 30:sc= 0.635 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 30:sc= 1.2 USER MOD Single : A 48 GLN : amide:sc= 0.567 K(o=0.57,f=-0.82) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 140:sc= 0.59 USER MOD Single : A 66 ASN : amide:sc= 0.0335 K(o=0.034,f=-1.8) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 73 SER OG : rot 130:sc= 0.327 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -13:sc= 0.0451 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 16 1.620 3.438 -0.033 1.00 0.00 N ATOM 2 CA PHE A 16 0.896 2.217 0.302 1.00 0.00 C ATOM 3 C PHE A 16 1.484 1.549 1.539 1.00 0.00 C ATOM 4 O PHE A 16 0.778 0.874 2.287 1.00 0.00 O ATOM 5 CB PHE A 16 0.912 1.245 -0.879 1.00 0.00 C ATOM 6 CG PHE A 16 2.285 0.750 -1.238 1.00 0.00 C ATOM 7 CD1 PHE A 16 3.076 1.449 -2.138 1.00 0.00 C ATOM 8 CD2 PHE A 16 2.787 -0.414 -0.677 1.00 0.00 C ATOM 9 CE1 PHE A 16 4.338 0.995 -2.470 1.00 0.00 C ATOM 10 CE2 PHE A 16 4.049 -0.870 -1.006 1.00 0.00 C ATOM 11 CZ PHE A 16 4.824 -0.165 -1.903 1.00 0.00 C ATOM 0 HA PHE A 16 -0.136 2.491 0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.278 0.390 -0.643 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.474 1.736 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.701 2.358 -2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.185 -0.971 0.025 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.944 1.548 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.428 -1.778 -0.561 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.810 -0.521 -2.161 1.00 0.00 H new ATOM 21 N LYS A 17 2.782 1.742 1.748 1.00 0.00 N ATOM 22 CA LYS A 17 3.469 1.155 2.892 1.00 0.00 C ATOM 23 C LYS A 17 2.836 1.602 4.204 1.00 0.00 C ATOM 24 O LYS A 17 2.521 2.779 4.382 1.00 0.00 O ATOM 25 CB LYS A 17 4.954 1.523 2.872 1.00 0.00 C ATOM 26 CG LYS A 17 5.737 0.918 1.714 1.00 0.00 C ATOM 27 CD LYS A 17 7.206 1.306 1.779 1.00 0.00 C ATOM 28 CE LYS A 17 7.979 0.749 0.591 1.00 0.00 C ATOM 29 NZ LYS A 17 9.417 1.129 0.635 1.00 0.00 N ATOM 0 H LYS A 17 3.380 2.301 1.139 1.00 0.00 H new ATOM 0 HA LYS A 17 3.372 0.072 2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.046 2.608 2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.408 1.201 3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.644 -0.168 1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.311 1.255 0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.297 2.392 1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.642 0.934 2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.891 -0.337 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.535 1.116 -0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.907 0.730 -0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.503 2.165 0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.848 0.758 1.506 1.00 0.00 H new ATOM 43 N SER A 18 2.652 0.656 5.117 1.00 0.00 N ATOM 44 CA SER A 18 2.075 0.956 6.423 1.00 0.00 C ATOM 45 C SER A 18 0.573 1.187 6.322 1.00 0.00 C ATOM 46 O SER A 18 -0.224 0.373 6.790 1.00 0.00 O ATOM 47 CB SER A 18 2.755 2.167 7.030 1.00 0.00 C ATOM 48 OG SER A 18 2.285 2.445 8.320 1.00 0.00 O ATOM 0 H SER A 18 2.894 -0.325 4.978 1.00 0.00 H new ATOM 0 HA SER A 18 2.239 0.095 7.071 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.831 1.998 7.066 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.590 3.034 6.390 1.00 0.00 H new ATOM 0 HG SER A 18 2.750 3.231 8.675 1.00 0.00 H new ATOM 54 N ARG A 19 0.190 2.302 5.707 1.00 0.00 N ATOM 55 CA ARG A 19 -1.205 2.720 5.678 1.00 0.00 C ATOM 56 C ARG A 19 -2.087 1.656 5.037 1.00 0.00 C ATOM 57 O ARG A 19 -3.012 1.141 5.665 1.00 0.00 O ATOM 58 CB ARG A 19 -1.385 4.072 5.004 1.00 0.00 C ATOM 59 CG ARG A 19 -2.816 4.585 4.971 1.00 0.00 C ATOM 60 CD ARG A 19 -2.978 5.909 4.316 1.00 0.00 C ATOM 61 NE ARG A 19 -4.343 6.407 4.293 1.00 0.00 N ATOM 62 CZ ARG A 19 -4.742 7.515 3.638 1.00 0.00 C ATOM 63 NH1 ARG A 19 -3.881 8.263 2.985 1.00 0.00 N ATOM 64 NH2 ARG A 19 -6.021 7.845 3.690 1.00 0.00 N ATOM 0 H ARG A 19 0.828 2.932 5.222 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.525 2.839 6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.764 4.804 5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.015 4.004 3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.438 3.857 4.450 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.189 4.651 5.993 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.349 6.635 4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.612 5.841 3.291 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.049 5.881 4.809 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.894 8.008 2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.200 9.098 2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.676 7.266 4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.353 8.678 3.204 1.00 0.00 H new ATOM 78 N LEU A 20 -1.794 1.328 3.782 1.00 0.00 N ATOM 79 CA LEU A 20 -2.601 0.377 3.030 1.00 0.00 C ATOM 80 C LEU A 20 -2.493 -1.025 3.619 1.00 0.00 C ATOM 81 O LEU A 20 -3.475 -1.764 3.672 1.00 0.00 O ATOM 82 CB LEU A 20 -2.176 0.369 1.556 1.00 0.00 C ATOM 83 CG LEU A 20 -3.049 -0.487 0.629 1.00 0.00 C ATOM 84 CD1 LEU A 20 -4.479 0.035 0.630 1.00 0.00 C ATOM 85 CD2 LEU A 20 -2.468 -0.468 -0.777 1.00 0.00 C ATOM 0 H LEU A 20 -1.001 1.709 3.265 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.643 0.691 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.180 1.395 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.148 0.012 1.493 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.062 -1.516 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.091 -0.579 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.882 -0.009 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.490 1.067 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.088 -1.076 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.443 0.557 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.456 -0.871 -0.758 1.00 0.00 H new ATOM 97 N GLN A 21 -1.292 -1.383 4.061 1.00 0.00 N ATOM 98 CA GLN A 21 -1.064 -2.679 4.689 1.00 0.00 C ATOM 99 C GLN A 21 -1.937 -2.855 5.924 1.00 0.00 C ATOM 100 O GLN A 21 -2.498 -3.928 6.151 1.00 0.00 O ATOM 101 CB GLN A 21 0.410 -2.836 5.072 1.00 0.00 C ATOM 102 CG GLN A 21 1.348 -2.991 3.887 1.00 0.00 C ATOM 103 CD GLN A 21 2.804 -3.063 4.307 1.00 0.00 C ATOM 104 OE1 GLN A 21 3.133 -2.911 5.486 1.00 0.00 O ATOM 105 NE2 GLN A 21 3.687 -3.289 3.341 1.00 0.00 N ATOM 0 H GLN A 21 -0.462 -0.794 3.996 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.331 -3.449 3.965 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.717 -1.967 5.653 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.515 -3.706 5.720 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.087 -3.894 3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.210 -2.151 3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.371 -3.409 2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.681 -3.343 3.561 1.00 0.00 H new ATOM 114 N GLU A 22 -2.048 -1.797 6.719 1.00 0.00 N ATOM 115 CA GLU A 22 -2.888 -1.820 7.911 1.00 0.00 C ATOM 116 C GLU A 22 -4.362 -1.936 7.545 1.00 0.00 C ATOM 117 O GLU A 22 -5.119 -2.653 8.199 1.00 0.00 O ATOM 118 CB GLU A 22 -2.653 -0.565 8.756 1.00 0.00 C ATOM 119 CG GLU A 22 -3.440 -0.529 10.059 1.00 0.00 C ATOM 120 CD GLU A 22 -3.114 0.702 10.858 1.00 0.00 C ATOM 121 OE1 GLU A 22 -2.301 1.478 10.415 1.00 0.00 O ATOM 122 OE2 GLU A 22 -3.758 0.925 11.857 1.00 0.00 O ATOM 0 H GLU A 22 -1.567 -0.912 6.560 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.613 -2.698 8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.590 -0.490 8.985 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.914 0.312 8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.508 -0.553 9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.214 -1.418 10.648 1.00 0.00 H new ATOM 129 N TYR A 23 -4.763 -1.225 6.496 1.00 0.00 N ATOM 130 CA TYR A 23 -6.120 -1.332 5.973 1.00 0.00 C ATOM 131 C TYR A 23 -6.458 -2.773 5.612 1.00 0.00 C ATOM 132 O TYR A 23 -7.530 -3.274 5.956 1.00 0.00 O ATOM 133 CB TYR A 23 -6.293 -0.429 4.750 1.00 0.00 C ATOM 134 CG TYR A 23 -6.320 1.048 5.076 1.00 0.00 C ATOM 135 CD1 TYR A 23 -6.450 1.485 6.386 1.00 0.00 C ATOM 136 CD2 TYR A 23 -6.215 1.999 4.073 1.00 0.00 C ATOM 137 CE1 TYR A 23 -6.476 2.833 6.689 1.00 0.00 C ATOM 138 CE2 TYR A 23 -6.239 3.350 4.365 1.00 0.00 C ATOM 139 CZ TYR A 23 -6.369 3.762 5.674 1.00 0.00 C ATOM 140 OH TYR A 23 -6.392 5.107 5.971 1.00 0.00 O ATOM 0 H TYR A 23 -4.167 -0.569 5.991 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.807 -1.007 6.754 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.479 -0.622 4.051 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.220 -0.696 4.242 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.532 0.760 7.182 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.113 1.679 3.047 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.579 3.158 7.714 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.156 4.079 3.572 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.018 5.251 6.865 1.00 0.00 H new ATOM 150 N ALA A 24 -5.541 -3.435 4.916 1.00 0.00 N ATOM 151 CA ALA A 24 -5.708 -4.840 4.571 1.00 0.00 C ATOM 152 C ALA A 24 -5.950 -5.689 5.813 1.00 0.00 C ATOM 153 O ALA A 24 -6.831 -6.548 5.828 1.00 0.00 O ATOM 154 CB ALA A 24 -4.495 -5.348 3.807 1.00 0.00 C ATOM 0 H ALA A 24 -4.673 -3.019 4.579 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.586 -4.926 3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.637 -6.399 3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.374 -4.770 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.604 -5.239 4.425 1.00 0.00 H new ATOM 160 N GLN A 25 -5.162 -5.442 6.854 1.00 0.00 N ATOM 161 CA GLN A 25 -5.281 -6.190 8.099 1.00 0.00 C ATOM 162 C GLN A 25 -6.647 -5.982 8.739 1.00 0.00 C ATOM 163 O GLN A 25 -7.208 -6.897 9.343 1.00 0.00 O ATOM 164 CB GLN A 25 -4.183 -5.773 9.082 1.00 0.00 C ATOM 165 CG GLN A 25 -2.790 -6.240 8.694 1.00 0.00 C ATOM 166 CD GLN A 25 -1.723 -5.726 9.640 1.00 0.00 C ATOM 167 OE1 GLN A 25 -2.010 -4.966 10.569 1.00 0.00 O ATOM 168 NE2 GLN A 25 -0.480 -6.137 9.409 1.00 0.00 N ATOM 0 H GLN A 25 -4.433 -4.728 6.860 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.168 -7.248 7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.180 -4.686 9.166 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.425 -6.168 10.069 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.766 -7.330 8.681 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.566 -5.904 7.681 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.287 -6.766 8.629 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.281 -5.824 10.012 1.00 0.00 H new ATOM 177 N LYS A 26 -7.181 -4.773 8.602 1.00 0.00 N ATOM 178 CA LYS A 26 -8.482 -4.440 9.169 1.00 0.00 C ATOM 179 C LYS A 26 -9.581 -5.308 8.568 1.00 0.00 C ATOM 180 O LYS A 26 -10.583 -5.598 9.222 1.00 0.00 O ATOM 181 CB LYS A 26 -8.802 -2.960 8.950 1.00 0.00 C ATOM 182 CG LYS A 26 -7.988 -2.007 9.815 1.00 0.00 C ATOM 183 CD LYS A 26 -8.350 -0.557 9.532 1.00 0.00 C ATOM 184 CE LYS A 26 -7.527 0.396 10.386 1.00 0.00 C ATOM 185 NZ LYS A 26 -7.880 1.819 10.128 1.00 0.00 N ATOM 0 H LYS A 26 -6.731 -4.006 8.102 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.438 -4.636 10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.632 -2.715 7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.861 -2.796 9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.163 -2.229 10.868 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.925 -2.162 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.185 -0.338 8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.411 -0.400 9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.686 0.168 11.440 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.467 0.242 10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.297 2.436 10.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.705 2.044 9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.885 1.972 10.346 1.00 0.00 H new ATOM 199 N TYR A 27 -9.389 -5.717 7.319 1.00 0.00 N ATOM 200 CA TYR A 27 -10.386 -6.511 6.611 1.00 0.00 C ATOM 201 C TYR A 27 -9.932 -7.957 6.462 1.00 0.00 C ATOM 202 O TYR A 27 -10.404 -8.680 5.583 1.00 0.00 O ATOM 203 CB TYR A 27 -10.672 -5.907 5.235 1.00 0.00 C ATOM 204 CG TYR A 27 -11.231 -4.502 5.286 1.00 0.00 C ATOM 205 CD1 TYR A 27 -12.534 -4.270 5.698 1.00 0.00 C ATOM 206 CD2 TYR A 27 -10.454 -3.413 4.920 1.00 0.00 C ATOM 207 CE1 TYR A 27 -13.051 -2.990 5.747 1.00 0.00 C ATOM 208 CE2 TYR A 27 -10.958 -2.128 4.966 1.00 0.00 C ATOM 209 CZ TYR A 27 -12.259 -1.921 5.380 1.00 0.00 C ATOM 210 OH TYR A 27 -12.768 -0.643 5.426 1.00 0.00 O ATOM 0 H TYR A 27 -8.551 -5.511 6.775 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.302 -6.499 7.201 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.750 -5.900 4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.377 -6.549 4.707 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.156 -5.105 5.986 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.437 -3.573 4.593 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.068 -2.827 6.070 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.339 -1.291 4.680 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.081 -0.007 5.137 1.00 0.00 H new ATOM 220 N LYS A 28 -9.014 -8.378 7.326 1.00 0.00 N ATOM 221 CA LYS A 28 -8.538 -9.756 7.330 1.00 0.00 C ATOM 222 C LYS A 28 -8.057 -10.176 5.947 1.00 0.00 C ATOM 223 O LYS A 28 -8.219 -11.329 5.547 1.00 0.00 O ATOM 224 CB LYS A 28 -9.638 -10.701 7.814 1.00 0.00 C ATOM 225 CG LYS A 28 -10.136 -10.415 9.225 1.00 0.00 C ATOM 226 CD LYS A 28 -11.181 -11.433 9.658 1.00 0.00 C ATOM 227 CE LYS A 28 -11.745 -11.097 11.032 1.00 0.00 C ATOM 228 NZ LYS A 28 -12.811 -12.050 11.444 1.00 0.00 N ATOM 0 H LYS A 28 -8.584 -7.783 8.034 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.694 -9.815 8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.481 -10.641 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.265 -11.724 7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.297 -10.434 9.920 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.562 -9.413 9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.990 -11.460 8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.736 -12.428 9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.941 -11.112 11.768 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.148 -10.084 11.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.168 -11.786 12.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.590 -12.018 10.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.421 -13.013 11.480 1.00 0.00 H new ATOM 242 N LEU A 29 -7.465 -9.234 5.220 1.00 0.00 N ATOM 243 CA LEU A 29 -6.949 -9.508 3.884 1.00 0.00 C ATOM 244 C LEU A 29 -5.505 -9.989 3.939 1.00 0.00 C ATOM 245 O LEU A 29 -4.779 -9.696 4.888 1.00 0.00 O ATOM 246 CB LEU A 29 -7.063 -8.257 3.006 1.00 0.00 C ATOM 247 CG LEU A 29 -8.489 -7.726 2.804 1.00 0.00 C ATOM 248 CD1 LEU A 29 -8.458 -6.442 1.987 1.00 0.00 C ATOM 249 CD2 LEU A 29 -9.333 -8.787 2.112 1.00 0.00 C ATOM 0 H LEU A 29 -7.331 -8.273 5.534 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.550 -10.304 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.458 -7.466 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.633 -8.478 2.029 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.934 -7.501 3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.475 -6.074 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.868 -5.691 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.009 -6.641 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.346 -8.410 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.894 -9.026 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.364 -9.686 2.728 1.00 0.00 H new ATOM 261 N PRO A 30 -5.094 -10.729 2.914 1.00 0.00 N ATOM 262 CA PRO A 30 -3.734 -11.248 2.842 1.00 0.00 C ATOM 263 C PRO A 30 -2.718 -10.119 2.722 1.00 0.00 C ATOM 264 O PRO A 30 -3.043 -9.026 2.260 1.00 0.00 O ATOM 265 CB PRO A 30 -3.743 -12.153 1.599 1.00 0.00 C ATOM 266 CG PRO A 30 -4.833 -11.599 0.724 1.00 0.00 C ATOM 267 CD PRO A 30 -5.917 -11.168 1.779 1.00 0.00 C ATOM 0 HA PRO A 30 -3.442 -11.793 3.740 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.780 -12.134 1.090 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.941 -13.191 1.867 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.487 -10.755 0.127 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.216 -12.346 0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.553 -10.366 1.404 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.573 -11.995 2.049 1.00 0.00 H new ATOM 275 N THR A 31 -1.487 -10.392 3.141 1.00 0.00 N ATOM 276 CA THR A 31 -0.424 -9.395 3.094 1.00 0.00 C ATOM 277 C THR A 31 -0.253 -8.839 1.686 1.00 0.00 C ATOM 278 O THR A 31 -0.003 -9.584 0.740 1.00 0.00 O ATOM 279 CB THR A 31 0.919 -9.977 3.572 1.00 0.00 C ATOM 280 OG1 THR A 31 0.777 -10.480 4.907 1.00 0.00 O ATOM 281 CG2 THR A 31 2.002 -8.909 3.549 1.00 0.00 C ATOM 0 H THR A 31 -1.201 -11.296 3.517 1.00 0.00 H new ATOM 0 HA THR A 31 -0.719 -8.589 3.766 1.00 0.00 H new ATOM 0 HB THR A 31 1.207 -10.786 2.900 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.632 -10.852 5.209 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.944 -9.339 3.890 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.121 -8.534 2.533 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.718 -8.088 4.208 1.00 0.00 H new ATOM 289 N PRO A 32 -0.387 -7.523 1.555 1.00 0.00 N ATOM 290 CA PRO A 32 -0.248 -6.864 0.262 1.00 0.00 C ATOM 291 C PRO A 32 1.092 -7.195 -0.384 1.00 0.00 C ATOM 292 O PRO A 32 2.121 -7.238 0.289 1.00 0.00 O ATOM 293 CB PRO A 32 -0.379 -5.367 0.588 1.00 0.00 C ATOM 294 CG PRO A 32 -1.195 -5.314 1.850 1.00 0.00 C ATOM 295 CD PRO A 32 -0.511 -6.561 2.658 1.00 0.00 C ATOM 0 HA PRO A 32 -0.996 -7.190 -0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.599 -4.907 0.731 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.870 -4.828 -0.222 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.092 -4.365 2.377 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.259 -5.464 1.669 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.452 -6.299 3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.140 -6.931 3.468 1.00 0.00 H new ATOM 303 N VAL A 33 1.071 -7.428 -1.691 1.00 0.00 N ATOM 304 CA VAL A 33 2.284 -7.757 -2.431 1.00 0.00 C ATOM 305 C VAL A 33 2.622 -6.674 -3.446 1.00 0.00 C ATOM 306 O VAL A 33 1.786 -6.296 -4.266 1.00 0.00 O ATOM 307 CB VAL A 33 2.152 -9.107 -3.160 1.00 0.00 C ATOM 308 CG1 VAL A 33 3.411 -9.405 -3.962 1.00 0.00 C ATOM 309 CG2 VAL A 33 1.879 -10.226 -2.166 1.00 0.00 C ATOM 0 H VAL A 33 0.226 -7.395 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 33 3.089 -7.827 -1.699 1.00 0.00 H new ATOM 0 HB VAL A 33 1.310 -9.044 -3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.300 -10.363 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.567 -8.618 -4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.269 -9.448 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.789 -11.172 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.701 -10.288 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.951 -10.020 -1.632 1.00 0.00 H new ATOM 319 N TYR A 34 3.852 -6.176 -3.385 1.00 0.00 N ATOM 320 CA TYR A 34 4.275 -5.069 -4.236 1.00 0.00 C ATOM 321 C TYR A 34 5.219 -5.548 -5.332 1.00 0.00 C ATOM 322 O TYR A 34 6.251 -6.158 -5.053 1.00 0.00 O ATOM 323 CB TYR A 34 4.949 -3.979 -3.401 1.00 0.00 C ATOM 324 CG TYR A 34 5.576 -2.876 -4.225 1.00 0.00 C ATOM 325 CD1 TYR A 34 4.796 -1.881 -4.795 1.00 0.00 C ATOM 326 CD2 TYR A 34 6.947 -2.833 -4.428 1.00 0.00 C ATOM 327 CE1 TYR A 34 5.363 -0.872 -5.549 1.00 0.00 C ATOM 328 CE2 TYR A 34 7.526 -1.829 -5.180 1.00 0.00 C ATOM 329 CZ TYR A 34 6.730 -0.848 -5.739 1.00 0.00 C ATOM 330 OH TYR A 34 7.301 0.154 -6.486 1.00 0.00 O ATOM 0 H TYR A 34 4.575 -6.522 -2.754 1.00 0.00 H new ATOM 0 HA TYR A 34 3.386 -4.653 -4.709 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.211 -3.542 -2.728 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.718 -4.436 -2.778 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.726 -1.895 -4.647 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.573 -3.597 -3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.740 -0.106 -5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.595 -1.811 -5.330 1.00 0.00 H new ATOM 0 HH TYR A 34 8.272 0.024 -6.521 1.00 0.00 H new ATOM 340 N GLU A 35 4.860 -5.266 -6.580 1.00 0.00 N ATOM 341 CA GLU A 35 5.708 -5.604 -7.716 1.00 0.00 C ATOM 342 C GLU A 35 6.126 -4.357 -8.483 1.00 0.00 C ATOM 343 O GLU A 35 5.310 -3.469 -8.736 1.00 0.00 O ATOM 344 CB GLU A 35 4.989 -6.579 -8.651 1.00 0.00 C ATOM 345 CG GLU A 35 4.726 -7.952 -8.047 1.00 0.00 C ATOM 346 CD GLU A 35 4.077 -8.871 -9.044 1.00 0.00 C ATOM 347 OE1 GLU A 35 3.844 -8.448 -10.151 1.00 0.00 O ATOM 348 OE2 GLU A 35 3.917 -10.029 -8.736 1.00 0.00 O ATOM 0 H GLU A 35 3.986 -4.803 -6.830 1.00 0.00 H new ATOM 0 HA GLU A 35 6.607 -6.083 -7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.038 -6.140 -8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.584 -6.702 -9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.665 -8.387 -7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.085 -7.850 -7.172 1.00 0.00 H new ATOM 355 N ILE A 36 7.401 -4.293 -8.849 1.00 0.00 N ATOM 356 CA ILE A 36 7.939 -3.133 -9.553 1.00 0.00 C ATOM 357 C ILE A 36 8.363 -3.496 -10.970 1.00 0.00 C ATOM 358 O ILE A 36 9.050 -4.496 -11.187 1.00 0.00 O ATOM 359 CB ILE A 36 9.143 -2.528 -8.807 1.00 0.00 C ATOM 360 CG1 ILE A 36 9.655 -1.287 -9.540 1.00 0.00 C ATOM 361 CG2 ILE A 36 10.251 -3.560 -8.660 1.00 0.00 C ATOM 362 CD1 ILE A 36 10.629 -0.459 -8.733 1.00 0.00 C ATOM 0 H ILE A 36 8.082 -5.031 -8.670 1.00 0.00 H new ATOM 0 HA ILE A 36 7.140 -2.393 -9.595 1.00 0.00 H new ATOM 0 HB ILE A 36 8.819 -2.229 -7.810 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.138 -1.597 -10.467 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.805 -0.663 -9.817 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.094 -3.116 -8.131 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.879 -4.416 -8.097 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.575 -3.889 -9.647 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.947 0.403 -9.320 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.145 -0.117 -7.818 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.498 -1.065 -8.479 1.00 0.00 H new ATOM 374 N VAL A 37 7.947 -2.682 -11.934 1.00 0.00 N ATOM 375 CA VAL A 37 8.274 -2.921 -13.335 1.00 0.00 C ATOM 376 C VAL A 37 9.078 -1.766 -13.919 1.00 0.00 C ATOM 377 O VAL A 37 8.664 -0.610 -13.843 1.00 0.00 O ATOM 378 CB VAL A 37 7.005 -3.133 -14.183 1.00 0.00 C ATOM 379 CG1 VAL A 37 7.371 -3.339 -15.645 1.00 0.00 C ATOM 380 CG2 VAL A 37 6.207 -4.319 -13.661 1.00 0.00 C ATOM 0 H VAL A 37 7.381 -1.849 -11.770 1.00 0.00 H new ATOM 0 HA VAL A 37 8.876 -3.829 -13.366 1.00 0.00 H new ATOM 0 HB VAL A 37 6.385 -2.240 -14.105 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.463 -3.487 -16.230 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.901 -2.461 -16.014 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.011 -4.216 -15.740 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.314 -4.454 -14.272 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.819 -5.219 -13.710 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.915 -4.134 -12.627 1.00 0.00 H new ATOM 390 N LYS A 38 10.228 -2.087 -14.501 1.00 0.00 N ATOM 391 CA LYS A 38 11.056 -1.088 -15.163 1.00 0.00 C ATOM 392 C LYS A 38 11.361 -1.489 -16.600 1.00 0.00 C ATOM 393 O LYS A 38 11.968 -2.531 -16.849 1.00 0.00 O ATOM 394 CB LYS A 38 12.358 -0.873 -14.389 1.00 0.00 C ATOM 395 CG LYS A 38 13.259 0.212 -14.964 1.00 0.00 C ATOM 396 CD LYS A 38 14.526 0.374 -14.138 1.00 0.00 C ATOM 397 CE LYS A 38 15.417 1.473 -14.697 1.00 0.00 C ATOM 398 NZ LYS A 38 16.628 1.688 -13.859 1.00 0.00 N ATOM 0 H LYS A 38 10.608 -3.033 -14.527 1.00 0.00 H new ATOM 0 HA LYS A 38 10.497 -0.152 -15.182 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.115 -0.618 -13.357 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.911 -1.812 -14.364 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.522 -0.038 -15.992 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.719 1.158 -14.994 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.262 0.607 -13.106 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.074 -0.568 -14.122 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.719 1.214 -15.712 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.850 2.402 -14.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.208 2.445 -14.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.341 1.960 -12.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.183 0.809 -13.819 1.00 0.00 H new ATOM 412 N GLU A 39 10.938 -0.655 -17.545 1.00 0.00 N ATOM 413 CA GLU A 39 11.111 -0.952 -18.962 1.00 0.00 C ATOM 414 C GLU A 39 11.657 0.254 -19.715 1.00 0.00 C ATOM 415 O GLU A 39 11.477 1.396 -19.291 1.00 0.00 O ATOM 416 CB GLU A 39 9.784 -1.400 -19.581 1.00 0.00 C ATOM 417 CG GLU A 39 9.235 -2.702 -19.014 1.00 0.00 C ATOM 418 CD GLU A 39 7.942 -3.085 -19.680 1.00 0.00 C ATOM 419 OE1 GLU A 39 7.484 -2.343 -20.516 1.00 0.00 O ATOM 420 OE2 GLU A 39 7.469 -4.170 -19.436 1.00 0.00 O ATOM 0 H GLU A 39 10.473 0.232 -17.354 1.00 0.00 H new ATOM 0 HA GLU A 39 11.834 -1.763 -19.046 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.044 -0.613 -19.434 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.919 -1.514 -20.657 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.967 -3.498 -19.151 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.076 -2.596 -17.941 1.00 0.00 H new ATOM 427 N GLY A 40 12.328 -0.006 -20.832 1.00 0.00 N ATOM 428 CA GLY A 40 12.808 1.059 -21.703 1.00 0.00 C ATOM 429 C GLY A 40 14.320 1.214 -21.602 1.00 0.00 C ATOM 430 O GLY A 40 14.995 0.408 -20.963 1.00 0.00 O ATOM 0 H GLY A 40 12.552 -0.947 -21.155 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.530 0.842 -22.734 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.325 1.998 -21.434 1.00 0.00 H new ATOM 434 N PRO A 41 14.846 2.256 -22.239 1.00 0.00 N ATOM 435 CA PRO A 41 16.282 2.506 -22.239 1.00 0.00 C ATOM 436 C PRO A 41 16.754 3.015 -20.883 1.00 0.00 C ATOM 437 O PRO A 41 15.981 3.613 -20.132 1.00 0.00 O ATOM 438 CB PRO A 41 16.481 3.550 -23.351 1.00 0.00 C ATOM 439 CG PRO A 41 15.183 4.306 -23.409 1.00 0.00 C ATOM 440 CD PRO A 41 14.133 3.112 -23.195 1.00 0.00 C ATOM 0 HA PRO A 41 16.867 1.604 -22.418 1.00 0.00 H new ATOM 0 HB2 PRO A 41 17.315 4.214 -23.125 1.00 0.00 H new ATOM 0 HB3 PRO A 41 16.703 3.073 -24.306 1.00 0.00 H new ATOM 0 HG2 PRO A 41 15.111 5.065 -22.630 1.00 0.00 H new ATOM 0 HG3 PRO A 41 15.043 4.814 -24.363 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.183 3.469 -22.796 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.912 2.590 -24.126 1.00 0.00 H new ATOM 448 N SER A 42 18.022 2.775 -20.574 1.00 0.00 N ATOM 449 CA SER A 42 18.602 3.224 -19.313 1.00 0.00 C ATOM 450 C SER A 42 18.643 4.745 -19.236 1.00 0.00 C ATOM 451 O SER A 42 18.769 5.317 -18.153 1.00 0.00 O ATOM 452 CB SER A 42 19.996 2.649 -19.147 1.00 0.00 C ATOM 453 OG SER A 42 20.892 3.158 -20.096 1.00 0.00 O ATOM 0 H SER A 42 18.670 2.271 -21.180 1.00 0.00 H new ATOM 0 HA SER A 42 17.970 2.865 -18.501 1.00 0.00 H new ATOM 0 HB2 SER A 42 20.363 2.873 -18.145 1.00 0.00 H new ATOM 0 HB3 SER A 42 19.953 1.563 -19.235 1.00 0.00 H new ATOM 0 HG SER A 42 21.778 2.764 -19.954 1.00 0.00 H new ATOM 459 N HIS A 43 18.534 5.394 -20.389 1.00 0.00 N ATOM 460 CA HIS A 43 18.550 6.851 -20.453 1.00 0.00 C ATOM 461 C HIS A 43 17.151 7.426 -20.271 1.00 0.00 C ATOM 462 O HIS A 43 16.982 8.503 -19.700 1.00 0.00 O ATOM 463 CB HIS A 43 19.144 7.327 -21.782 1.00 0.00 C ATOM 464 CG HIS A 43 20.596 7.001 -21.944 1.00 0.00 C ATOM 465 ND1 HIS A 43 21.580 7.585 -21.176 1.00 0.00 N ATOM 466 CD2 HIS A 43 21.231 6.151 -22.786 1.00 0.00 C ATOM 467 CE1 HIS A 43 22.759 7.108 -21.537 1.00 0.00 C ATOM 468 NE2 HIS A 43 22.574 6.236 -22.513 1.00 0.00 N ATOM 0 H HIS A 43 18.433 4.934 -21.294 1.00 0.00 H new ATOM 0 HA HIS A 43 19.177 7.211 -19.637 1.00 0.00 H new ATOM 0 HB2 HIS A 43 18.586 6.875 -22.602 1.00 0.00 H new ATOM 0 HB3 HIS A 43 19.012 8.406 -21.863 1.00 0.00 H new ATOM 0 HD2 HIS A 43 20.767 5.523 -23.533 1.00 0.00 H new ATOM 0 HE1 HIS A 43 23.711 7.384 -21.108 1.00 0.00 H new ATOM 0 HE2 HIS A 43 23.310 5.711 -22.987 1.00 0.00 H new ATOM 476 N LYS A 44 16.151 6.701 -20.761 1.00 0.00 N ATOM 477 CA LYS A 44 14.758 7.084 -20.564 1.00 0.00 C ATOM 478 C LYS A 44 13.921 5.899 -20.102 1.00 0.00 C ATOM 479 O LYS A 44 13.142 5.339 -20.874 1.00 0.00 O ATOM 480 CB LYS A 44 14.176 7.671 -21.851 1.00 0.00 C ATOM 481 CG LYS A 44 14.821 8.976 -22.296 1.00 0.00 C ATOM 482 CD LYS A 44 14.139 9.537 -23.535 1.00 0.00 C ATOM 483 CE LYS A 44 14.779 10.845 -23.976 1.00 0.00 C ATOM 484 NZ LYS A 44 14.128 11.400 -25.193 1.00 0.00 N ATOM 0 H LYS A 44 16.280 5.844 -21.298 1.00 0.00 H new ATOM 0 HA LYS A 44 14.729 7.845 -19.784 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.281 6.937 -22.650 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.108 7.838 -21.709 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.767 9.705 -21.487 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.878 8.809 -22.504 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.198 8.810 -24.345 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.081 9.699 -23.328 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.714 11.572 -23.166 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.838 10.682 -24.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.594 12.291 -25.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.212 10.718 -25.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.123 11.580 -24.997 1.00 0.00 H new ATOM 498 N SER A 45 14.085 5.521 -18.839 1.00 0.00 N ATOM 499 CA SER A 45 13.391 4.362 -18.290 1.00 0.00 C ATOM 500 C SER A 45 11.991 4.732 -17.818 1.00 0.00 C ATOM 501 O SER A 45 11.788 5.779 -17.202 1.00 0.00 O ATOM 502 CB SER A 45 14.192 3.766 -17.148 1.00 0.00 C ATOM 503 OG SER A 45 15.410 3.228 -17.585 1.00 0.00 O ATOM 0 H SER A 45 14.693 6.001 -18.176 1.00 0.00 H new ATOM 0 HA SER A 45 13.293 3.619 -19.081 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.383 4.535 -16.399 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.605 2.987 -16.662 1.00 0.00 H new ATOM 0 HG SER A 45 15.725 3.726 -18.368 1.00 0.00 H new ATOM 509 N LEU A 46 11.025 3.868 -18.111 1.00 0.00 N ATOM 510 CA LEU A 46 9.666 4.040 -17.614 1.00 0.00 C ATOM 511 C LEU A 46 9.408 3.158 -16.399 1.00 0.00 C ATOM 512 O LEU A 46 9.755 1.977 -16.392 1.00 0.00 O ATOM 513 CB LEU A 46 8.652 3.729 -18.723 1.00 0.00 C ATOM 514 CG LEU A 46 8.719 4.653 -19.946 1.00 0.00 C ATOM 515 CD1 LEU A 46 7.704 4.211 -20.991 1.00 0.00 C ATOM 516 CD2 LEU A 46 8.457 6.088 -19.514 1.00 0.00 C ATOM 0 H LEU A 46 11.159 3.040 -18.691 1.00 0.00 H new ATOM 0 HA LEU A 46 9.548 5.079 -17.307 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.804 2.702 -19.055 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.648 3.783 -18.301 1.00 0.00 H new ATOM 0 HG LEU A 46 9.713 4.596 -20.390 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.759 4.873 -21.855 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.923 3.190 -21.302 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.701 4.253 -20.565 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.505 6.744 -20.383 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.468 6.157 -19.061 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.210 6.393 -18.788 1.00 0.00 H new ATOM 528 N PHE A 47 8.797 3.739 -15.372 1.00 0.00 N ATOM 529 CA PHE A 47 8.525 3.018 -14.134 1.00 0.00 C ATOM 530 C PHE A 47 7.030 2.795 -13.943 1.00 0.00 C ATOM 531 O PHE A 47 6.233 3.724 -14.075 1.00 0.00 O ATOM 532 CB PHE A 47 9.101 3.774 -12.937 1.00 0.00 C ATOM 533 CG PHE A 47 10.602 3.837 -12.924 1.00 0.00 C ATOM 534 CD1 PHE A 47 11.348 2.840 -12.314 1.00 0.00 C ATOM 535 CD2 PHE A 47 11.271 4.894 -13.525 1.00 0.00 C ATOM 536 CE1 PHE A 47 12.728 2.896 -12.301 1.00 0.00 C ATOM 537 CE2 PHE A 47 12.653 4.952 -13.514 1.00 0.00 C ATOM 538 CZ PHE A 47 13.380 3.954 -12.902 1.00 0.00 C ATOM 0 H PHE A 47 8.480 4.709 -15.373 1.00 0.00 H new ATOM 0 HA PHE A 47 9.008 2.043 -14.203 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.704 4.789 -12.935 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.759 3.296 -12.019 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.844 2.009 -11.843 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.707 5.679 -14.006 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.296 2.113 -11.821 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.162 5.780 -13.985 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.459 4.000 -12.893 1.00 0.00 H new ATOM 548 N GLN A 48 6.656 1.559 -13.634 1.00 0.00 N ATOM 549 CA GLN A 48 5.276 1.240 -13.285 1.00 0.00 C ATOM 550 C GLN A 48 5.214 0.169 -12.206 1.00 0.00 C ATOM 551 O GLN A 48 6.012 -0.769 -12.201 1.00 0.00 O ATOM 552 CB GLN A 48 4.505 0.773 -14.523 1.00 0.00 C ATOM 553 CG GLN A 48 3.001 0.691 -14.326 1.00 0.00 C ATOM 554 CD GLN A 48 2.270 0.316 -15.601 1.00 0.00 C ATOM 555 OE1 GLN A 48 2.890 0.055 -16.635 1.00 0.00 O ATOM 556 NE2 GLN A 48 0.943 0.294 -15.536 1.00 0.00 N ATOM 0 H GLN A 48 7.290 0.760 -13.618 1.00 0.00 H new ATOM 0 HA GLN A 48 4.814 2.148 -12.896 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.716 1.455 -15.347 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.875 -0.208 -14.819 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.778 -0.045 -13.553 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.631 1.652 -13.968 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.472 0.517 -14.659 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.396 0.054 -16.363 1.00 0.00 H new ATOM 565 N SER A 49 4.261 0.313 -11.291 1.00 0.00 N ATOM 566 CA SER A 49 4.172 -0.568 -10.132 1.00 0.00 C ATOM 567 C SER A 49 2.766 -1.135 -9.978 1.00 0.00 C ATOM 568 O SER A 49 1.789 -0.522 -10.405 1.00 0.00 O ATOM 569 CB SER A 49 4.582 0.177 -8.877 1.00 0.00 C ATOM 570 OG SER A 49 5.915 0.603 -8.929 1.00 0.00 O ATOM 0 H SER A 49 3.539 1.032 -11.330 1.00 0.00 H new ATOM 0 HA SER A 49 4.855 -1.403 -10.287 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.931 1.040 -8.740 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.442 -0.469 -8.010 1.00 0.00 H new ATOM 0 HG SER A 49 6.354 0.408 -8.075 1.00 0.00 H new ATOM 576 N THR A 50 2.673 -2.310 -9.362 1.00 0.00 N ATOM 577 CA THR A 50 1.384 -2.949 -9.126 1.00 0.00 C ATOM 578 C THR A 50 1.269 -3.444 -7.691 1.00 0.00 C ATOM 579 O THR A 50 2.178 -4.095 -7.174 1.00 0.00 O ATOM 580 CB THR A 50 1.156 -4.132 -10.085 1.00 0.00 C ATOM 581 OG1 THR A 50 1.240 -3.675 -11.441 1.00 0.00 O ATOM 582 CG2 THR A 50 -0.213 -4.754 -9.848 1.00 0.00 C ATOM 0 H THR A 50 3.475 -2.838 -9.018 1.00 0.00 H new ATOM 0 HA THR A 50 0.621 -2.192 -9.308 1.00 0.00 H new ATOM 0 HB THR A 50 1.923 -4.884 -9.899 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.337 -3.552 -11.801 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.357 -5.588 -10.534 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.276 -5.114 -8.821 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.987 -4.006 -10.019 1.00 0.00 H new ATOM 590 N VAL A 51 0.149 -3.130 -7.049 1.00 0.00 N ATOM 591 CA VAL A 51 -0.146 -3.653 -5.720 1.00 0.00 C ATOM 592 C VAL A 51 -1.185 -4.764 -5.782 1.00 0.00 C ATOM 593 O VAL A 51 -2.270 -4.582 -6.336 1.00 0.00 O ATOM 594 CB VAL A 51 -0.650 -2.544 -4.776 1.00 0.00 C ATOM 595 CG1 VAL A 51 -0.994 -3.123 -3.412 1.00 0.00 C ATOM 596 CG2 VAL A 51 0.393 -1.445 -4.639 1.00 0.00 C ATOM 0 H VAL A 51 -0.571 -2.515 -7.428 1.00 0.00 H new ATOM 0 HA VAL A 51 0.788 -4.056 -5.327 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.553 -2.110 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.348 -2.327 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.774 -3.876 -3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.106 -3.582 -2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.020 -0.671 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.313 -1.865 -4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.595 -1.011 -5.618 1.00 0.00 H new ATOM 606 N ILE A 52 -0.847 -5.915 -5.212 1.00 0.00 N ATOM 607 CA ILE A 52 -1.734 -7.074 -5.240 1.00 0.00 C ATOM 608 C ILE A 52 -2.313 -7.356 -3.860 1.00 0.00 C ATOM 609 O ILE A 52 -1.577 -7.596 -2.903 1.00 0.00 O ATOM 610 CB ILE A 52 -1.005 -8.330 -5.748 1.00 0.00 C ATOM 611 CG1 ILE A 52 -0.493 -8.111 -7.174 1.00 0.00 C ATOM 612 CG2 ILE A 52 -1.926 -9.539 -5.690 1.00 0.00 C ATOM 613 CD1 ILE A 52 0.417 -9.210 -7.672 1.00 0.00 C ATOM 0 H ILE A 52 0.035 -6.071 -4.724 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.545 -6.834 -5.928 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.149 -8.519 -5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.346 -8.026 -7.847 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.042 -7.162 -7.216 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.395 -10.419 -6.053 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.243 -9.706 -4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.801 -9.360 -6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.738 -8.984 -8.689 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.290 -9.282 -7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.120 -10.159 -7.664 1.00 0.00 H new ATOM 625 N LEU A 53 -3.639 -7.327 -3.764 1.00 0.00 N ATOM 626 CA LEU A 53 -4.318 -7.526 -2.489 1.00 0.00 C ATOM 627 C LEU A 53 -5.603 -8.325 -2.668 1.00 0.00 C ATOM 628 O LEU A 53 -6.533 -7.880 -3.341 1.00 0.00 O ATOM 629 CB LEU A 53 -4.618 -6.173 -1.832 1.00 0.00 C ATOM 630 CG LEU A 53 -5.364 -6.249 -0.493 1.00 0.00 C ATOM 631 CD1 LEU A 53 -4.512 -6.974 0.539 1.00 0.00 C ATOM 632 CD2 LEU A 53 -5.705 -4.843 -0.021 1.00 0.00 C ATOM 0 H LEU A 53 -4.264 -7.168 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.656 -8.097 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.677 -5.646 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.208 -5.573 -2.525 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.290 -6.809 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.050 -7.023 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.299 -7.985 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.576 -6.435 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.235 -4.897 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.787 -4.270 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.338 -4.354 -0.762 1.00 0.00 H new ATOM 644 N ASP A 54 -5.648 -9.507 -2.063 1.00 0.00 N ATOM 645 CA ASP A 54 -6.814 -10.377 -2.166 1.00 0.00 C ATOM 646 C ASP A 54 -7.096 -10.750 -3.616 1.00 0.00 C ATOM 647 O ASP A 54 -8.251 -10.883 -4.019 1.00 0.00 O ATOM 648 CB ASP A 54 -8.042 -9.703 -1.549 1.00 0.00 C ATOM 649 CG ASP A 54 -9.151 -10.665 -1.148 1.00 0.00 C ATOM 650 OD1 ASP A 54 -8.888 -11.840 -1.055 1.00 0.00 O ATOM 651 OD2 ASP A 54 -10.208 -10.204 -0.786 1.00 0.00 O ATOM 0 H ASP A 54 -4.889 -9.885 -1.495 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.597 -11.292 -1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.729 -9.141 -0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.443 -8.982 -2.262 1.00 0.00 H new ATOM 656 N GLY A 55 -6.033 -10.920 -4.395 1.00 0.00 N ATOM 657 CA GLY A 55 -6.160 -11.346 -5.783 1.00 0.00 C ATOM 658 C GLY A 55 -6.550 -10.180 -6.684 1.00 0.00 C ATOM 659 O GLY A 55 -6.801 -10.362 -7.875 1.00 0.00 O ATOM 0 H GLY A 55 -5.072 -10.769 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.216 -11.772 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.910 -12.133 -5.857 1.00 0.00 H new ATOM 663 N VAL A 56 -6.599 -8.984 -6.107 1.00 0.00 N ATOM 664 CA VAL A 56 -6.955 -7.786 -6.858 1.00 0.00 C ATOM 665 C VAL A 56 -5.720 -6.957 -7.189 1.00 0.00 C ATOM 666 O VAL A 56 -4.962 -6.572 -6.299 1.00 0.00 O ATOM 667 CB VAL A 56 -7.955 -6.910 -6.081 1.00 0.00 C ATOM 668 CG1 VAL A 56 -8.318 -5.672 -6.889 1.00 0.00 C ATOM 669 CG2 VAL A 56 -9.206 -7.705 -5.738 1.00 0.00 C ATOM 0 H VAL A 56 -6.397 -8.819 -5.121 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.422 -8.122 -7.784 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.483 -6.591 -5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.026 -5.064 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.418 -5.090 -7.088 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.771 -5.974 -7.833 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.901 -7.070 -5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.679 -8.053 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.935 -8.563 -5.123 1.00 0.00 H new ATOM 679 N ARG A 57 -5.524 -6.688 -8.476 1.00 0.00 N ATOM 680 CA ARG A 57 -4.336 -5.978 -8.936 1.00 0.00 C ATOM 681 C ARG A 57 -4.612 -4.487 -9.089 1.00 0.00 C ATOM 682 O ARG A 57 -5.574 -4.088 -9.743 1.00 0.00 O ATOM 683 CB ARG A 57 -3.771 -6.575 -10.216 1.00 0.00 C ATOM 684 CG ARG A 57 -3.252 -7.998 -10.084 1.00 0.00 C ATOM 685 CD ARG A 57 -2.796 -8.605 -11.360 1.00 0.00 C ATOM 686 NE ARG A 57 -2.317 -9.972 -11.241 1.00 0.00 N ATOM 687 CZ ARG A 57 -1.894 -10.728 -12.273 1.00 0.00 C ATOM 688 NH1 ARG A 57 -1.923 -10.270 -13.505 1.00 0.00 N ATOM 689 NH2 ARG A 57 -1.470 -11.954 -12.017 1.00 0.00 N ATOM 0 H ARG A 57 -6.172 -6.951 -9.218 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.571 -6.099 -8.169 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.547 -6.556 -10.982 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.959 -5.939 -10.569 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.424 -8.005 -9.376 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.039 -8.621 -9.660 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.620 -8.583 -12.073 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.999 -7.989 -11.776 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.300 -10.389 -10.310 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.270 -9.329 -13.691 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.599 -10.856 -14.275 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.469 -12.304 -11.059 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.144 -12.550 -12.778 1.00 0.00 H new ATOM 703 N TYR A 58 -3.757 -3.669 -8.484 1.00 0.00 N ATOM 704 CA TYR A 58 -3.864 -2.220 -8.611 1.00 0.00 C ATOM 705 C TYR A 58 -2.697 -1.650 -9.407 1.00 0.00 C ATOM 706 O TYR A 58 -1.626 -1.388 -8.857 1.00 0.00 O ATOM 707 CB TYR A 58 -3.926 -1.564 -7.229 1.00 0.00 C ATOM 708 CG TYR A 58 -5.009 -2.125 -6.334 1.00 0.00 C ATOM 709 CD1 TYR A 58 -6.349 -1.976 -6.660 1.00 0.00 C ATOM 710 CD2 TYR A 58 -4.688 -2.799 -5.164 1.00 0.00 C ATOM 711 CE1 TYR A 58 -7.342 -2.486 -5.846 1.00 0.00 C ATOM 712 CE2 TYR A 58 -5.673 -3.313 -4.343 1.00 0.00 C ATOM 713 CZ TYR A 58 -7.000 -3.154 -4.688 1.00 0.00 C ATOM 714 OH TYR A 58 -7.985 -3.663 -3.873 1.00 0.00 O ATOM 0 H TYR A 58 -2.982 -3.985 -7.901 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.786 -2.000 -9.150 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.961 -1.685 -6.736 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.088 -0.493 -7.352 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.621 -1.453 -7.565 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.651 -2.924 -4.891 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.381 -2.362 -6.115 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.406 -3.836 -3.437 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.575 -4.104 -3.100 1.00 0.00 H new ATOM 724 N ASN A 59 -2.909 -1.461 -10.704 1.00 0.00 N ATOM 725 CA ASN A 59 -1.857 -0.973 -11.590 1.00 0.00 C ATOM 726 C ASN A 59 -1.741 0.544 -11.522 1.00 0.00 C ATOM 727 O ASN A 59 -2.741 1.257 -11.600 1.00 0.00 O ATOM 728 CB ASN A 59 -2.086 -1.419 -13.022 1.00 0.00 C ATOM 729 CG ASN A 59 -2.033 -2.911 -13.208 1.00 0.00 C ATOM 730 OD1 ASN A 59 -1.013 -3.554 -12.934 1.00 0.00 O ATOM 731 ND2 ASN A 59 -3.095 -3.451 -13.747 1.00 0.00 N ATOM 0 H ASN A 59 -3.801 -1.638 -11.167 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.918 -1.407 -11.245 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.058 -1.055 -13.355 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.335 -0.955 -13.662 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.107 -4.448 -13.961 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.911 -2.875 -13.953 1.00 0.00 H new ATOM 738 N SER A 60 -0.514 1.032 -11.380 1.00 0.00 N ATOM 739 CA SER A 60 -0.241 2.461 -11.482 1.00 0.00 C ATOM 740 C SER A 60 -0.330 2.938 -12.925 1.00 0.00 C ATOM 741 O SER A 60 -0.328 2.132 -13.857 1.00 0.00 O ATOM 742 CB SER A 60 1.127 2.774 -10.906 1.00 0.00 C ATOM 743 OG SER A 60 2.161 2.232 -11.682 1.00 0.00 O ATOM 0 H SER A 60 0.309 0.458 -11.194 1.00 0.00 H new ATOM 0 HA SER A 60 -0.999 2.993 -10.907 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.253 3.855 -10.838 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.191 2.381 -9.891 1.00 0.00 H new ATOM 0 HG SER A 60 2.900 2.874 -11.737 1.00 0.00 H new ATOM 749 N LEU A 61 -0.409 4.252 -13.105 1.00 0.00 N ATOM 750 CA LEU A 61 -0.437 4.842 -14.438 1.00 0.00 C ATOM 751 C LEU A 61 0.932 4.768 -15.103 1.00 0.00 C ATOM 752 O LEU A 61 1.949 5.083 -14.486 1.00 0.00 O ATOM 753 CB LEU A 61 -0.916 6.297 -14.364 1.00 0.00 C ATOM 754 CG LEU A 61 -2.365 6.485 -13.896 1.00 0.00 C ATOM 755 CD1 LEU A 61 -2.678 7.967 -13.750 1.00 0.00 C ATOM 756 CD2 LEU A 61 -3.309 5.830 -14.893 1.00 0.00 C ATOM 0 H LEU A 61 -0.455 4.929 -12.344 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.137 4.269 -15.046 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.259 6.845 -13.689 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.808 6.749 -15.350 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.498 6.012 -12.923 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.709 8.090 -13.417 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.005 8.411 -13.017 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.545 8.463 -14.711 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.339 5.963 -14.561 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.181 6.291 -15.872 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.085 4.766 -14.961 1.00 0.00 H new ATOM 768 N PRO A 62 0.951 4.349 -16.364 1.00 0.00 N ATOM 769 CA PRO A 62 2.195 4.233 -17.114 1.00 0.00 C ATOM 770 C PRO A 62 2.678 5.596 -17.594 1.00 0.00 C ATOM 771 O PRO A 62 1.893 6.533 -17.725 1.00 0.00 O ATOM 772 CB PRO A 62 1.842 3.298 -18.284 1.00 0.00 C ATOM 773 CG PRO A 62 0.382 3.545 -18.549 1.00 0.00 C ATOM 774 CD PRO A 62 -0.159 3.637 -17.012 1.00 0.00 C ATOM 0 HA PRO A 62 3.016 3.840 -16.513 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.446 3.520 -19.164 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.026 2.255 -18.026 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.208 4.463 -19.110 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.085 2.735 -19.110 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.099 4.184 -16.938 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.328 2.653 -16.575 1.00 0.00 H new ATOM 782 N GLY A 63 3.978 5.697 -17.854 1.00 0.00 N ATOM 783 CA GLY A 63 4.555 6.917 -18.405 1.00 0.00 C ATOM 784 C GLY A 63 5.291 7.711 -17.333 1.00 0.00 C ATOM 785 O GLY A 63 5.568 8.898 -17.506 1.00 0.00 O ATOM 0 H GLY A 63 4.651 4.948 -17.692 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.243 6.665 -19.212 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.766 7.531 -18.839 1.00 0.00 H new ATOM 789 N PHE A 64 5.606 7.048 -16.225 1.00 0.00 N ATOM 790 CA PHE A 64 6.307 7.692 -15.120 1.00 0.00 C ATOM 791 C PHE A 64 7.815 7.535 -15.260 1.00 0.00 C ATOM 792 O PHE A 64 8.301 6.521 -15.760 1.00 0.00 O ATOM 793 CB PHE A 64 5.839 7.115 -13.782 1.00 0.00 C ATOM 794 CG PHE A 64 4.427 7.482 -13.424 1.00 0.00 C ATOM 795 CD1 PHE A 64 3.795 8.551 -14.043 1.00 0.00 C ATOM 796 CD2 PHE A 64 3.728 6.759 -12.470 1.00 0.00 C ATOM 797 CE1 PHE A 64 2.495 8.890 -13.714 1.00 0.00 C ATOM 798 CE2 PHE A 64 2.429 7.093 -12.141 1.00 0.00 C ATOM 799 CZ PHE A 64 1.812 8.161 -12.764 1.00 0.00 C ATOM 0 H PHE A 64 5.387 6.064 -16.068 1.00 0.00 H new ATOM 0 HA PHE A 64 6.072 8.756 -15.148 1.00 0.00 H new ATOM 0 HB2 PHE A 64 5.925 6.029 -13.815 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.506 7.463 -12.994 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.324 9.125 -14.790 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.205 5.924 -11.978 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.015 9.726 -14.201 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.896 6.520 -11.397 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.797 8.424 -12.507 1.00 0.00 H new ATOM 809 N PHE A 65 8.554 8.547 -14.814 1.00 0.00 N ATOM 810 CA PHE A 65 10.008 8.534 -14.908 1.00 0.00 C ATOM 811 C PHE A 65 10.650 8.423 -13.531 1.00 0.00 C ATOM 812 O PHE A 65 11.834 8.710 -13.362 1.00 0.00 O ATOM 813 CB PHE A 65 10.508 9.791 -15.621 1.00 0.00 C ATOM 814 CG PHE A 65 10.043 9.906 -17.045 1.00 0.00 C ATOM 815 CD1 PHE A 65 10.663 9.182 -18.053 1.00 0.00 C ATOM 816 CD2 PHE A 65 8.985 10.738 -17.379 1.00 0.00 C ATOM 817 CE1 PHE A 65 10.237 9.288 -19.363 1.00 0.00 C ATOM 818 CE2 PHE A 65 8.556 10.844 -18.689 1.00 0.00 C ATOM 819 CZ PHE A 65 9.181 10.120 -19.681 1.00 0.00 C ATOM 0 H PHE A 65 8.168 9.387 -14.383 1.00 0.00 H new ATOM 0 HA PHE A 65 10.296 7.658 -15.489 1.00 0.00 H new ATOM 0 HB2 PHE A 65 10.174 10.669 -15.068 1.00 0.00 H new ATOM 0 HB3 PHE A 65 11.598 9.799 -15.603 1.00 0.00 H new ATOM 0 HD1 PHE A 65 11.488 8.528 -17.811 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.491 11.309 -16.607 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.730 8.720 -20.139 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.730 11.495 -18.935 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.846 10.203 -20.704 1.00 0.00 H new ATOM 829 N ASN A 66 9.860 8.004 -12.547 1.00 0.00 N ATOM 830 CA ASN A 66 10.345 7.866 -11.181 1.00 0.00 C ATOM 831 C ASN A 66 9.568 6.796 -10.425 1.00 0.00 C ATOM 832 O ASN A 66 8.384 6.576 -10.683 1.00 0.00 O ATOM 833 CB ASN A 66 10.283 9.185 -10.434 1.00 0.00 C ATOM 834 CG ASN A 66 11.092 9.201 -9.167 1.00 0.00 C ATOM 835 OD1 ASN A 66 12.045 8.430 -9.005 1.00 0.00 O ATOM 836 ND2 ASN A 66 10.670 10.020 -8.237 1.00 0.00 N ATOM 0 H ASN A 66 8.879 7.754 -12.672 1.00 0.00 H new ATOM 0 HA ASN A 66 11.389 7.557 -11.241 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.636 9.981 -11.090 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.243 9.408 -10.194 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.133 10.042 -7.328 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.879 10.637 -8.421 1.00 0.00 H new ATOM 843 N ARG A 67 10.239 6.131 -9.490 1.00 0.00 N ATOM 844 CA ARG A 67 9.624 5.055 -8.723 1.00 0.00 C ATOM 845 C ARG A 67 8.532 5.588 -7.804 1.00 0.00 C ATOM 846 O ARG A 67 7.484 4.964 -7.641 1.00 0.00 O ATOM 847 CB ARG A 67 10.651 4.239 -7.953 1.00 0.00 C ATOM 848 CG ARG A 67 11.541 3.356 -8.813 1.00 0.00 C ATOM 849 CD ARG A 67 12.587 2.620 -8.057 1.00 0.00 C ATOM 850 NE ARG A 67 13.446 1.783 -8.878 1.00 0.00 N ATOM 851 CZ ARG A 67 14.509 1.094 -8.419 1.00 0.00 C ATOM 852 NH1 ARG A 67 14.869 1.169 -7.156 1.00 0.00 N ATOM 853 NH2 ARG A 67 15.195 0.358 -9.275 1.00 0.00 N ATOM 0 H ARG A 67 11.211 6.319 -9.245 1.00 0.00 H new ATOM 0 HA ARG A 67 9.157 4.378 -9.439 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.282 4.921 -7.383 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.128 3.611 -7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.916 2.635 -9.341 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.024 3.974 -9.570 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.206 3.340 -7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.103 1.996 -7.306 1.00 0.00 H new ATOM 0 HE ARG A 67 13.229 1.712 -9.872 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.341 1.755 -6.509 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.676 0.641 -6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.915 0.322 -10.255 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.004 -0.174 -8.956 1.00 0.00 H new ATOM 867 N LYS A 68 8.785 6.748 -7.204 1.00 0.00 N ATOM 868 CA LYS A 68 7.846 7.342 -6.260 1.00 0.00 C ATOM 869 C LYS A 68 6.486 7.575 -6.905 1.00 0.00 C ATOM 870 O LYS A 68 5.449 7.276 -6.316 1.00 0.00 O ATOM 871 CB LYS A 68 8.400 8.657 -5.711 1.00 0.00 C ATOM 872 CG LYS A 68 9.590 8.496 -4.773 1.00 0.00 C ATOM 873 CD LYS A 68 10.079 9.845 -4.265 1.00 0.00 C ATOM 874 CE LYS A 68 11.279 9.686 -3.341 1.00 0.00 C ATOM 875 NZ LYS A 68 11.793 11.000 -2.867 1.00 0.00 N ATOM 0 H LYS A 68 9.633 7.295 -7.355 1.00 0.00 H new ATOM 0 HA LYS A 68 7.715 6.641 -5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.695 9.290 -6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.604 9.180 -5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.308 7.867 -3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.400 7.986 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.349 10.478 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.272 10.350 -3.734 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.998 9.075 -2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.073 9.153 -3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.609 10.848 -2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.085 11.574 -3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.044 11.498 -2.345 1.00 0.00 H new ATOM 889 N ALA A 69 6.500 8.109 -8.122 1.00 0.00 N ATOM 890 CA ALA A 69 5.267 8.408 -8.841 1.00 0.00 C ATOM 891 C ALA A 69 4.414 7.158 -9.012 1.00 0.00 C ATOM 892 O ALA A 69 3.197 7.194 -8.822 1.00 0.00 O ATOM 893 CB ALA A 69 5.578 9.030 -10.192 1.00 0.00 C ATOM 0 H ALA A 69 7.352 8.344 -8.631 1.00 0.00 H new ATOM 0 HA ALA A 69 4.697 9.125 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.647 9.247 -10.716 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.137 9.955 -10.047 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.174 8.335 -10.784 1.00 0.00 H new ATOM 899 N ALA A 70 5.056 6.053 -9.373 1.00 0.00 N ATOM 900 CA ALA A 70 4.354 4.792 -9.582 1.00 0.00 C ATOM 901 C ALA A 70 3.806 4.243 -8.270 1.00 0.00 C ATOM 902 O ALA A 70 2.723 3.657 -8.238 1.00 0.00 O ATOM 903 CB ALA A 70 5.275 3.775 -10.239 1.00 0.00 C ATOM 0 H ALA A 70 6.063 6.005 -9.527 1.00 0.00 H new ATOM 0 HA ALA A 70 3.511 4.982 -10.246 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.736 2.839 -10.388 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.611 4.158 -11.203 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.138 3.598 -9.598 1.00 0.00 H new ATOM 909 N GLU A 71 4.558 4.437 -7.192 1.00 0.00 N ATOM 910 CA GLU A 71 4.152 3.954 -5.879 1.00 0.00 C ATOM 911 C GLU A 71 2.960 4.740 -5.346 1.00 0.00 C ATOM 912 O GLU A 71 2.129 4.205 -4.613 1.00 0.00 O ATOM 913 CB GLU A 71 5.320 4.036 -4.893 1.00 0.00 C ATOM 914 CG GLU A 71 6.438 3.039 -5.158 1.00 0.00 C ATOM 915 CD GLU A 71 7.589 3.244 -4.213 1.00 0.00 C ATOM 916 OE1 GLU A 71 7.536 4.165 -3.434 1.00 0.00 O ATOM 917 OE2 GLU A 71 8.469 2.417 -4.192 1.00 0.00 O ATOM 0 H GLU A 71 5.453 4.926 -7.203 1.00 0.00 H new ATOM 0 HA GLU A 71 3.852 2.912 -5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.734 5.044 -4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.940 3.877 -3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.055 2.024 -5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.786 3.144 -6.186 1.00 0.00 H new ATOM 924 N GLN A 72 2.884 6.014 -5.720 1.00 0.00 N ATOM 925 CA GLN A 72 1.784 6.871 -5.297 1.00 0.00 C ATOM 926 C GLN A 72 0.518 6.573 -6.089 1.00 0.00 C ATOM 927 O GLN A 72 -0.574 6.487 -5.527 1.00 0.00 O ATOM 928 CB GLN A 72 2.161 8.346 -5.459 1.00 0.00 C ATOM 929 CG GLN A 72 3.193 8.838 -4.460 1.00 0.00 C ATOM 930 CD GLN A 72 3.629 10.264 -4.734 1.00 0.00 C ATOM 931 OE1 GLN A 72 3.231 10.869 -5.734 1.00 0.00 O ATOM 932 NE2 GLN A 72 4.456 10.810 -3.849 1.00 0.00 N ATOM 0 H GLN A 72 3.572 6.475 -6.315 1.00 0.00 H new ATOM 0 HA GLN A 72 1.589 6.665 -4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.544 8.503 -6.467 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.260 8.952 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.779 8.774 -3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.064 8.183 -4.489 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.760 10.274 -3.036 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.787 11.766 -3.982 1.00 0.00 H new ATOM 941 N SER A 73 0.670 6.417 -7.401 1.00 0.00 N ATOM 942 CA SER A 73 -0.461 6.128 -8.274 1.00 0.00 C ATOM 943 C SER A 73 -1.080 4.776 -7.946 1.00 0.00 C ATOM 944 O SER A 73 -2.302 4.632 -7.916 1.00 0.00 O ATOM 945 CB SER A 73 -0.024 6.171 -9.725 1.00 0.00 C ATOM 946 OG SER A 73 -1.078 5.876 -10.601 1.00 0.00 O ATOM 0 H SER A 73 1.567 6.486 -7.882 1.00 0.00 H new ATOM 0 HA SER A 73 -1.221 6.892 -8.109 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.372 7.160 -9.955 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.786 5.459 -9.881 1.00 0.00 H new ATOM 0 HG SER A 73 -1.127 6.564 -11.297 1.00 0.00 H new ATOM 952 N ALA A 74 -0.228 3.787 -7.699 1.00 0.00 N ATOM 953 CA ALA A 74 -0.690 2.453 -7.329 1.00 0.00 C ATOM 954 C ALA A 74 -1.462 2.481 -6.017 1.00 0.00 C ATOM 955 O ALA A 74 -2.515 1.857 -5.891 1.00 0.00 O ATOM 956 CB ALA A 74 0.486 1.493 -7.236 1.00 0.00 C ATOM 0 H ALA A 74 0.786 3.883 -7.748 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.368 2.103 -8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.126 0.502 -6.959 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.989 1.440 -8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.187 1.848 -6.481 1.00 0.00 H new ATOM 962 N ALA A 75 -0.930 3.209 -5.041 1.00 0.00 N ATOM 963 CA ALA A 75 -1.603 3.375 -3.757 1.00 0.00 C ATOM 964 C ALA A 75 -2.956 4.053 -3.927 1.00 0.00 C ATOM 965 O ALA A 75 -3.936 3.672 -3.285 1.00 0.00 O ATOM 966 CB ALA A 75 -0.726 4.169 -2.799 1.00 0.00 C ATOM 0 H ALA A 75 -0.035 3.693 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.776 2.384 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.241 4.285 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.214 3.639 -2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.522 5.152 -3.223 1.00 0.00 H new ATOM 972 N GLU A 76 -3.004 5.058 -4.793 1.00 0.00 N ATOM 973 CA GLU A 76 -4.231 5.812 -5.026 1.00 0.00 C ATOM 974 C GLU A 76 -5.315 4.924 -5.625 1.00 0.00 C ATOM 975 O GLU A 76 -6.481 5.009 -5.239 1.00 0.00 O ATOM 976 CB GLU A 76 -3.960 7.005 -5.946 1.00 0.00 C ATOM 977 CG GLU A 76 -5.173 7.886 -6.204 1.00 0.00 C ATOM 978 CD GLU A 76 -5.617 8.585 -4.949 1.00 0.00 C ATOM 979 OE1 GLU A 76 -4.893 8.550 -3.984 1.00 0.00 O ATOM 980 OE2 GLU A 76 -6.626 9.250 -4.988 1.00 0.00 O ATOM 0 H GLU A 76 -2.206 5.371 -5.347 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.585 6.181 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.170 7.614 -5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.585 6.635 -6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.933 8.625 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.990 7.279 -6.593 1.00 0.00 H new ATOM 987 N VAL A 77 -4.925 4.075 -6.568 1.00 0.00 N ATOM 988 CA VAL A 77 -5.852 3.132 -7.181 1.00 0.00 C ATOM 989 C VAL A 77 -6.369 2.125 -6.161 1.00 0.00 C ATOM 990 O VAL A 77 -7.544 1.756 -6.181 1.00 0.00 O ATOM 991 CB VAL A 77 -5.196 2.373 -8.350 1.00 0.00 C ATOM 992 CG1 VAL A 77 -6.107 1.256 -8.838 1.00 0.00 C ATOM 993 CG2 VAL A 77 -4.868 3.327 -9.488 1.00 0.00 C ATOM 0 H VAL A 77 -3.971 4.020 -6.925 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.688 3.718 -7.564 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.266 1.929 -7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.628 0.730 -9.664 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.294 0.557 -8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.052 1.680 -9.177 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.405 2.773 -10.305 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.784 3.799 -9.843 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.179 4.093 -9.133 1.00 0.00 H new ATOM 1003 N ALA A 78 -5.487 1.685 -5.270 1.00 0.00 N ATOM 1004 CA ALA A 78 -5.862 0.750 -4.217 1.00 0.00 C ATOM 1005 C ALA A 78 -6.851 1.383 -3.246 1.00 0.00 C ATOM 1006 O ALA A 78 -7.798 0.735 -2.800 1.00 0.00 O ATOM 1007 CB ALA A 78 -4.627 0.263 -3.476 1.00 0.00 C ATOM 0 H ALA A 78 -4.505 1.962 -5.257 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.350 -0.105 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.924 -0.434 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.958 -0.239 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.112 1.113 -3.029 1.00 0.00 H new ATOM 1013 N LEU A 79 -6.625 2.653 -2.923 1.00 0.00 N ATOM 1014 CA LEU A 79 -7.483 3.368 -1.988 1.00 0.00 C ATOM 1015 C LEU A 79 -8.858 3.633 -2.591 1.00 0.00 C ATOM 1016 O LEU A 79 -9.878 3.491 -1.919 1.00 0.00 O ATOM 1017 CB LEU A 79 -6.824 4.688 -1.566 1.00 0.00 C ATOM 1018 CG LEU A 79 -5.577 4.542 -0.684 1.00 0.00 C ATOM 1019 CD1 LEU A 79 -4.915 5.899 -0.488 1.00 0.00 C ATOM 1020 CD2 LEU A 79 -5.970 3.934 0.655 1.00 0.00 C ATOM 0 H LEU A 79 -5.854 3.207 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.618 2.740 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.552 5.243 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.560 5.288 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.861 3.881 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.031 5.785 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.623 6.305 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.617 6.580 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.084 3.830 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.692 4.583 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.416 2.953 0.492 1.00 0.00 H new ATOM 1032 N ARG A 80 -8.875 4.016 -3.864 1.00 0.00 N ATOM 1033 CA ARG A 80 -10.119 4.356 -4.544 1.00 0.00 C ATOM 1034 C ARG A 80 -11.014 3.134 -4.702 1.00 0.00 C ATOM 1035 O ARG A 80 -12.228 3.214 -4.518 1.00 0.00 O ATOM 1036 CB ARG A 80 -9.873 5.043 -5.880 1.00 0.00 C ATOM 1037 CG ARG A 80 -9.336 6.462 -5.780 1.00 0.00 C ATOM 1038 CD ARG A 80 -9.051 7.102 -7.090 1.00 0.00 C ATOM 1039 NE ARG A 80 -8.514 8.449 -6.998 1.00 0.00 N ATOM 1040 CZ ARG A 80 -8.141 9.199 -8.054 1.00 0.00 C ATOM 1041 NH1 ARG A 80 -8.210 8.725 -9.278 1.00 0.00 N ATOM 1042 NH2 ARG A 80 -7.681 10.415 -7.825 1.00 0.00 N ATOM 0 H ARG A 80 -8.041 4.099 -4.445 1.00 0.00 H new ATOM 0 HA ARG A 80 -10.643 5.073 -3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -9.169 4.443 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -10.808 5.062 -6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.058 7.074 -5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.421 6.451 -5.188 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -8.344 6.479 -7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.971 7.130 -7.674 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.412 8.856 -6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -8.550 7.777 -9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.924 9.305 -10.067 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.615 10.764 -6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.391 11.006 -8.604 1.00 0.00 H new ATOM 1056 N GLU A 81 -10.406 2.002 -5.043 1.00 0.00 N ATOM 1057 CA GLU A 81 -11.147 0.759 -5.218 1.00 0.00 C ATOM 1058 C GLU A 81 -11.750 0.286 -3.901 1.00 0.00 C ATOM 1059 O GLU A 81 -12.881 -0.199 -3.865 1.00 0.00 O ATOM 1060 CB GLU A 81 -10.239 -0.327 -5.800 1.00 0.00 C ATOM 1061 CG GLU A 81 -9.889 -0.134 -7.268 1.00 0.00 C ATOM 1062 CD GLU A 81 -11.123 -0.119 -8.127 1.00 0.00 C ATOM 1063 OE1 GLU A 81 -11.901 -1.038 -8.030 1.00 0.00 O ATOM 1064 OE2 GLU A 81 -11.346 0.862 -8.796 1.00 0.00 O ATOM 0 H GLU A 81 -9.402 1.921 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.962 0.952 -5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.316 -0.361 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.727 -1.294 -5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.344 0.802 -7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.226 -0.935 -7.594 1.00 0.00 H new ATOM 1071 N LEU A 82 -10.989 0.430 -2.822 1.00 0.00 N ATOM 1072 CA LEU A 82 -11.468 0.069 -1.493 1.00 0.00 C ATOM 1073 C LEU A 82 -12.604 0.981 -1.049 1.00 0.00 C ATOM 1074 O LEU A 82 -13.578 0.529 -0.449 1.00 0.00 O ATOM 1075 CB LEU A 82 -10.315 0.121 -0.483 1.00 0.00 C ATOM 1076 CG LEU A 82 -9.252 -0.972 -0.647 1.00 0.00 C ATOM 1077 CD1 LEU A 82 -8.079 -0.704 0.286 1.00 0.00 C ATOM 1078 CD2 LEU A 82 -9.872 -2.332 -0.357 1.00 0.00 C ATOM 0 H LEU A 82 -10.037 0.795 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.855 -0.949 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.828 1.093 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.731 0.053 0.522 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.880 -0.967 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.330 -1.486 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.637 0.263 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.429 -0.698 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.116 -3.109 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.254 -2.348 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.690 -2.515 -1.053 1.00 0.00 H new ATOM 1090 N ALA A 83 -12.474 2.268 -1.351 1.00 0.00 N ATOM 1091 CA ALA A 83 -13.515 3.238 -1.034 1.00 0.00 C ATOM 1092 C ALA A 83 -14.761 3.007 -1.880 1.00 0.00 C ATOM 1093 O ALA A 83 -15.870 3.355 -1.477 1.00 0.00 O ATOM 1094 CB ALA A 83 -12.996 4.655 -1.228 1.00 0.00 C ATOM 0 H ALA A 83 -11.657 2.664 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.791 3.105 0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.785 5.368 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.143 4.823 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.688 4.791 -2.265 1.00 0.00 H new ATOM 1100 N LYS A 84 -14.570 2.415 -3.054 1.00 0.00 N ATOM 1101 CA LYS A 84 -15.683 2.096 -3.941 1.00 0.00 C ATOM 1102 C LYS A 84 -16.414 0.843 -3.478 1.00 0.00 C ATOM 1103 O LYS A 84 -17.625 0.715 -3.662 1.00 0.00 O ATOM 1104 CB LYS A 84 -15.188 1.916 -5.378 1.00 0.00 C ATOM 1105 CG LYS A 84 -16.292 1.663 -6.396 1.00 0.00 C ATOM 1106 CD LYS A 84 -15.739 1.627 -7.813 1.00 0.00 C ATOM 1107 CE LYS A 84 -16.840 1.361 -8.829 1.00 0.00 C ATOM 1108 NZ LYS A 84 -16.318 1.345 -10.223 1.00 0.00 N ATOM 0 H LYS A 84 -13.654 2.146 -3.414 1.00 0.00 H new ATOM 0 HA LYS A 84 -16.384 2.930 -3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.635 2.808 -5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.486 1.082 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.787 0.718 -6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.048 2.445 -6.318 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.253 2.576 -8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.976 0.852 -7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.314 0.405 -8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.610 2.127 -8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.099 1.161 -10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.888 2.266 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.601 0.597 -10.317 1.00 0.00 H new ATOM 1122 N SER A 85 -15.672 -0.082 -2.877 1.00 0.00 N ATOM 1123 CA SER A 85 -16.250 -1.324 -2.380 1.00 0.00 C ATOM 1124 C SER A 85 -16.613 -1.210 -0.905 1.00 0.00 C ATOM 1125 O SER A 85 -17.234 -2.110 -0.337 1.00 0.00 O ATOM 1126 CB SER A 85 -15.287 -2.473 -2.600 1.00 0.00 C ATOM 1127 OG SER A 85 -14.112 -2.326 -1.852 1.00 0.00 O ATOM 0 H SER A 85 -14.668 0.006 -2.723 1.00 0.00 H new ATOM 0 HA SER A 85 -17.167 -1.519 -2.937 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.774 -3.410 -2.330 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.037 -2.538 -3.659 1.00 0.00 H new ATOM 0 HG SER A 85 -14.062 -1.414 -1.496 1.00 0.00 H new ATOM 1133 N SER A 86 -16.223 -0.100 -0.289 1.00 0.00 N ATOM 1134 CA SER A 86 -16.536 0.148 1.114 1.00 0.00 C ATOM 1135 C SER A 86 -18.040 0.157 1.350 1.00 0.00 C ATOM 1136 O SER A 86 -18.794 0.776 0.597 1.00 0.00 O ATOM 1137 CB SER A 86 -15.924 1.462 1.561 1.00 0.00 C ATOM 1138 OG SER A 86 -16.241 1.764 2.891 1.00 0.00 O ATOM 0 H SER A 86 -15.689 0.643 -0.739 1.00 0.00 H new ATOM 0 HA SER A 86 -16.109 -0.662 1.705 1.00 0.00 H new ATOM 0 HB2 SER A 86 -14.841 1.414 1.449 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.276 2.265 0.913 1.00 0.00 H new ATOM 0 HG SER A 86 -15.827 2.616 3.141 1.00 0.00 H new TER 1144 SER A 86