USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 82 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 30 GLN : amide:sc= 0.646 K(o=1.2,f=-2) USER MOD Set 1.2: A 34 GLN : amide:sc= 0.586 K(o=1.2,f=-2) USER MOD Set 2.1: A 17 MET CE :methyl -160:sc= -0.0942 (180deg=-0.572) USER MOD Set 2.2: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0337 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= -0.0185 (180deg=-0.367) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -2.79! C(o=-2.8!,f=-4.2!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 77:sc= 1.19 USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.0422 (180deg=-0.428) USER MOD Single : A 31 GLN : amide:sc= 0.593 K(o=0.59,f=-4.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00697 USER MOD Single : A 41 THR OG1 : rot -153:sc= -2.21! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 4 4.638 5.894 0.808 1.00 0.00 N ATOM 29 CA LEU A 4 4.394 4.469 0.542 1.00 0.00 C ATOM 30 C LEU A 4 3.375 3.786 1.470 1.00 0.00 C ATOM 31 O LEU A 4 2.398 3.202 1.034 1.00 0.00 O ATOM 32 CB LEU A 4 5.721 3.698 0.626 1.00 0.00 C ATOM 33 CG LEU A 4 6.432 3.842 -0.714 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.653 4.750 -0.609 1.00 0.00 C ATOM 35 CD2 LEU A 4 6.766 2.455 -1.260 1.00 0.00 C ATOM 0 HA LEU A 4 3.957 4.441 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.341 4.092 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.538 2.647 0.850 1.00 0.00 H new ATOM 0 HG LEU A 4 5.767 4.332 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.133 4.828 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.342 5.741 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.357 4.331 0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.275 2.554 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.416 1.934 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.846 1.886 -1.395 1.00 0.00 H new ATOM 37 N SER A 5 3.569 4.077 2.748 1.00 0.00 N ATOM 38 CA SER A 5 2.759 3.518 3.838 1.00 0.00 C ATOM 39 C SER A 5 1.357 4.127 3.930 1.00 0.00 C ATOM 40 O SER A 5 0.370 3.508 3.537 1.00 0.00 O ATOM 41 CB SER A 5 3.567 3.730 5.124 1.00 0.00 C ATOM 42 OG SER A 5 4.024 5.080 5.251 1.00 0.00 O ATOM 0 H SER A 5 4.299 4.714 3.068 1.00 0.00 H new ATOM 0 HA SER A 5 2.571 2.460 3.657 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.951 3.473 5.986 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.423 3.055 5.130 1.00 0.00 H new ATOM 0 HG SER A 5 4.533 5.176 6.083 1.00 0.00 H new ATOM 45 N GLU A 6 1.398 5.446 4.016 1.00 0.00 N ATOM 46 CA GLU A 6 0.264 6.355 4.215 1.00 0.00 C ATOM 47 C GLU A 6 -0.762 6.334 3.067 1.00 0.00 C ATOM 48 O GLU A 6 -1.925 5.995 3.279 1.00 0.00 O ATOM 49 CB GLU A 6 0.872 7.739 4.404 1.00 0.00 C ATOM 50 CG GLU A 6 1.075 8.094 5.875 1.00 0.00 C ATOM 51 CD GLU A 6 -0.253 8.370 6.599 1.00 0.00 C ATOM 52 OE1 GLU A 6 -0.855 7.389 7.086 1.00 0.00 O ATOM 53 OE2 GLU A 6 -0.606 9.567 6.682 1.00 0.00 O ATOM 0 H GLU A 6 2.281 5.952 3.945 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.316 6.040 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.831 7.785 3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.224 8.483 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.595 7.277 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.716 8.973 5.949 1.00 0.00 H new ATOM 55 N ARG A 7 -0.260 6.536 1.860 1.00 0.00 N ATOM 56 CA ARG A 7 -1.096 6.606 0.640 1.00 0.00 C ATOM 57 C ARG A 7 -1.714 5.255 0.252 1.00 0.00 C ATOM 58 O ARG A 7 -2.891 5.186 -0.088 1.00 0.00 O ATOM 59 CB ARG A 7 -0.199 7.191 -0.443 1.00 0.00 C ATOM 60 CG ARG A 7 -0.944 7.893 -1.584 1.00 0.00 C ATOM 61 CD ARG A 7 -1.620 9.180 -1.116 1.00 0.00 C ATOM 62 NE ARG A 7 -1.702 10.139 -2.241 1.00 0.00 N ATOM 63 CZ ARG A 7 -2.543 11.168 -2.329 1.00 0.00 C ATOM 64 NH1 ARG A 7 -3.479 11.399 -1.425 1.00 0.00 N ATOM 65 NH2 ARG A 7 -2.471 12.015 -3.356 1.00 0.00 N ATOM 0 H ARG A 7 0.737 6.658 1.682 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.969 7.237 0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.486 7.903 0.017 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.409 6.390 -0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.244 8.122 -2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.694 7.218 -1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.619 8.961 -0.739 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.057 9.619 -0.292 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.057 9.999 -3.018 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.577 10.777 -0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.103 12.199 -1.530 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.768 11.878 -4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.119 12.800 -3.416 1.00 0.00 H new ATOM 68 N LEU A 8 -0.938 4.177 0.429 1.00 0.00 N ATOM 69 CA LEU A 8 -1.434 2.795 0.237 1.00 0.00 C ATOM 70 C LEU A 8 -2.544 2.453 1.243 1.00 0.00 C ATOM 71 O LEU A 8 -3.641 2.055 0.849 1.00 0.00 O ATOM 72 CB LEU A 8 -0.255 1.829 0.382 1.00 0.00 C ATOM 73 CG LEU A 8 -0.641 0.379 0.065 1.00 0.00 C ATOM 74 CD1 LEU A 8 -0.904 0.198 -1.427 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.498 -0.549 0.495 1.00 0.00 C ATOM 0 H LEU A 8 0.042 4.230 0.706 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.868 2.705 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.550 2.141 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.133 1.884 1.399 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.554 0.134 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.176 -0.839 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.720 0.852 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.005 0.451 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.230 -1.582 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.406 -0.285 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.670 -0.442 1.566 1.00 0.00 H new ATOM 77 N LYS A 9 -2.245 2.690 2.526 1.00 0.00 N ATOM 78 CA LYS A 9 -3.190 2.518 3.648 1.00 0.00 C ATOM 79 C LYS A 9 -4.554 3.166 3.371 1.00 0.00 C ATOM 80 O LYS A 9 -5.594 2.494 3.388 1.00 0.00 O ATOM 81 CB LYS A 9 -2.520 3.144 4.872 1.00 0.00 C ATOM 82 CG LYS A 9 -3.388 3.129 6.130 1.00 0.00 C ATOM 83 CD LYS A 9 -2.732 4.000 7.190 1.00 0.00 C ATOM 84 CE LYS A 9 -3.683 4.237 8.357 1.00 0.00 C ATOM 85 NZ LYS A 9 -2.934 5.003 9.368 1.00 0.00 N ATOM 0 H LYS A 9 -1.324 3.013 2.824 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.401 1.460 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.591 2.612 5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.252 4.175 4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.388 3.500 5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.502 2.109 6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.821 3.521 7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.439 4.955 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.566 4.787 8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.032 3.290 8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.547 5.189 10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.104 4.456 9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.621 5.906 8.958 1.00 0.00 H new ATOM 90 N LYS A 10 -4.512 4.447 3.031 1.00 0.00 N ATOM 91 CA LYS A 10 -5.668 5.294 2.686 1.00 0.00 C ATOM 92 C LYS A 10 -6.663 4.634 1.723 1.00 0.00 C ATOM 93 O LYS A 10 -7.855 4.542 2.013 1.00 0.00 O ATOM 94 CB LYS A 10 -5.042 6.540 2.068 1.00 0.00 C ATOM 95 CG LYS A 10 -6.038 7.662 1.805 1.00 0.00 C ATOM 96 CD LYS A 10 -5.310 8.796 1.093 1.00 0.00 C ATOM 97 CE LYS A 10 -6.255 9.977 0.881 1.00 0.00 C ATOM 98 NZ LYS A 10 -7.304 9.573 -0.052 1.00 0.00 N ATOM 0 H LYS A 10 -3.631 4.958 2.983 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.272 5.502 3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.260 6.909 2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.561 6.266 1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.865 7.300 1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.466 8.016 2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.448 9.111 1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.930 8.448 0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.692 10.287 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.708 10.833 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.778 10.419 -0.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.883 9.034 -0.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.999 8.979 0.443 1.00 0.00 H new ATOM 103 N ARG A 11 -6.132 4.136 0.613 1.00 0.00 N ATOM 104 CA ARG A 11 -6.919 3.444 -0.426 1.00 0.00 C ATOM 105 C ARG A 11 -7.515 2.102 0.029 1.00 0.00 C ATOM 106 O ARG A 11 -8.691 1.827 -0.219 1.00 0.00 O ATOM 107 CB ARG A 11 -5.998 3.278 -1.644 1.00 0.00 C ATOM 108 CG ARG A 11 -6.674 2.797 -2.933 1.00 0.00 C ATOM 109 CD ARG A 11 -7.365 3.923 -3.701 1.00 0.00 C ATOM 110 NE ARG A 11 -8.789 4.011 -3.356 1.00 0.00 N ATOM 111 CZ ARG A 11 -9.538 5.111 -3.364 1.00 0.00 C ATOM 112 NH1 ARG A 11 -9.014 6.327 -3.468 1.00 0.00 N ATOM 113 NH2 ARG A 11 -10.837 5.017 -3.145 1.00 0.00 N ATOM 0 H ARG A 11 -5.137 4.196 0.398 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.795 4.046 -0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.516 4.235 -1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.209 2.572 -1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.927 2.331 -3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.407 2.029 -2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.876 4.871 -3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.258 3.754 -4.772 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.250 3.143 -3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.003 6.442 -3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.622 7.146 -3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.260 4.105 -2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.417 5.856 -3.150 1.00 0.00 H new ATOM 116 N ARG A 12 -6.731 1.345 0.797 1.00 0.00 N ATOM 117 CA ARG A 12 -7.178 0.081 1.420 1.00 0.00 C ATOM 118 C ARG A 12 -8.356 0.313 2.406 1.00 0.00 C ATOM 119 O ARG A 12 -9.329 -0.440 2.383 1.00 0.00 O ATOM 120 CB ARG A 12 -5.946 -0.555 2.081 1.00 0.00 C ATOM 121 CG ARG A 12 -6.111 -2.062 2.273 1.00 0.00 C ATOM 122 CD ARG A 12 -4.810 -2.760 2.681 1.00 0.00 C ATOM 123 NE ARG A 12 -4.232 -2.260 3.946 1.00 0.00 N ATOM 124 CZ ARG A 12 -4.639 -2.506 5.191 1.00 0.00 C ATOM 125 NH1 ARG A 12 -5.831 -3.018 5.466 1.00 0.00 N ATOM 126 NH2 ARG A 12 -3.974 -1.967 6.195 1.00 0.00 N ATOM 0 H ARG A 12 -5.763 1.585 1.010 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.580 -0.604 0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.066 -0.362 1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.770 -0.084 3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.869 -2.245 3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.478 -2.503 1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.998 -3.829 2.777 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.077 -2.635 1.884 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.420 -1.650 3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.478 -3.240 4.709 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.101 -3.190 6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.165 -1.374 6.011 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.269 -2.143 7.155 1.00 0.00 H new ATOM 129 N ILE A 13 -8.331 1.463 3.075 1.00 0.00 N ATOM 130 CA ILE A 13 -9.439 1.945 3.940 1.00 0.00 C ATOM 131 C ILE A 13 -10.659 2.326 3.066 1.00 0.00 C ATOM 132 O ILE A 13 -11.766 1.827 3.281 1.00 0.00 O ATOM 133 CB ILE A 13 -9.007 3.160 4.783 1.00 0.00 C ATOM 134 CG1 ILE A 13 -7.754 2.857 5.632 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.148 3.621 5.699 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.070 4.105 6.203 1.00 0.00 C ATOM 0 H ILE A 13 -7.538 2.104 3.041 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.710 1.138 4.621 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.759 3.958 4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.036 2.201 6.456 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.037 2.310 5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.820 4.480 6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.010 3.902 5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.426 2.809 6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.199 3.808 6.787 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.755 4.753 5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.769 4.642 6.843 1.00 0.00 H new ATOM 138 N ALA A 14 -10.407 3.213 2.099 1.00 0.00 N ATOM 139 CA ALA A 14 -11.415 3.722 1.148 1.00 0.00 C ATOM 140 C ALA A 14 -12.203 2.617 0.409 1.00 0.00 C ATOM 141 O ALA A 14 -13.372 2.795 0.100 1.00 0.00 O ATOM 142 CB ALA A 14 -10.708 4.629 0.141 1.00 0.00 C ATOM 0 H ALA A 14 -9.479 3.609 1.947 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.160 4.269 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.435 5.017 -0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.237 5.459 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.947 4.058 -0.391 1.00 0.00 H new ATOM 144 N LEU A 15 -11.523 1.503 0.120 1.00 0.00 N ATOM 145 CA LEU A 15 -12.131 0.315 -0.498 1.00 0.00 C ATOM 146 C LEU A 15 -12.737 -0.741 0.438 1.00 0.00 C ATOM 147 O LEU A 15 -13.299 -1.727 -0.039 1.00 0.00 O ATOM 148 CB LEU A 15 -11.114 -0.379 -1.427 1.00 0.00 C ATOM 149 CG LEU A 15 -10.837 0.394 -2.718 1.00 0.00 C ATOM 150 CD1 LEU A 15 -9.781 -0.385 -3.508 1.00 0.00 C ATOM 151 CD2 LEU A 15 -12.085 0.577 -3.588 1.00 0.00 C ATOM 0 H LEU A 15 -10.526 1.397 0.309 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.984 0.730 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.177 -0.517 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.485 -1.372 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.495 1.394 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.560 0.141 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.871 -0.470 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.159 -1.381 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.823 1.132 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.481 -0.400 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.841 1.129 -3.029 1.00 0.00 H new ATOM 153 N LYS A 16 -12.672 -0.507 1.749 1.00 0.00 N ATOM 154 CA LYS A 16 -13.086 -1.472 2.799 1.00 0.00 C ATOM 155 C LYS A 16 -12.399 -2.843 2.672 1.00 0.00 C ATOM 156 O LYS A 16 -12.976 -3.911 2.924 1.00 0.00 O ATOM 157 CB LYS A 16 -14.610 -1.664 2.865 1.00 0.00 C ATOM 158 CG LYS A 16 -15.329 -0.557 3.636 1.00 0.00 C ATOM 159 CD LYS A 16 -15.335 0.770 2.877 1.00 0.00 C ATOM 160 CE LYS A 16 -16.267 0.721 1.669 1.00 0.00 C ATOM 161 NZ LYS A 16 -17.097 1.889 1.886 1.00 0.00 N ATOM 0 H LYS A 16 -12.325 0.373 2.131 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.754 -1.015 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.007 -1.707 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.828 -2.624 3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.356 -0.864 3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.845 -0.418 4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -15.648 1.571 3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.323 1.006 2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -15.720 0.778 0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -16.853 -0.198 1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -17.790 1.971 1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -17.598 1.795 2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -16.500 2.740 1.907 1.00 0.00 H new ATOM 166 N MET A 17 -11.099 -2.763 2.428 1.00 0.00 N ATOM 167 CA MET A 17 -10.281 -3.947 2.114 1.00 0.00 C ATOM 168 C MET A 17 -9.201 -4.146 3.177 1.00 0.00 C ATOM 169 O MET A 17 -8.691 -3.210 3.793 1.00 0.00 O ATOM 170 CB MET A 17 -9.701 -3.739 0.712 1.00 0.00 C ATOM 171 CG MET A 17 -9.260 -5.073 0.094 1.00 0.00 C ATOM 172 SD MET A 17 -8.750 -4.979 -1.661 1.00 0.00 S ATOM 173 CE MET A 17 -10.255 -4.398 -2.438 1.00 0.00 C ATOM 0 H MET A 17 -10.576 -1.887 2.439 1.00 0.00 H new ATOM 0 HA MET A 17 -10.878 -4.859 2.122 1.00 0.00 H new ATOM 0 HB2 MET A 17 -10.447 -3.267 0.073 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.850 -3.060 0.764 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.429 -5.470 0.678 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.080 -5.786 0.181 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.225 -4.625 -3.504 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.113 -4.894 -1.985 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.344 -3.321 -2.299 1.00 0.00 H new ATOM 175 N THR A 18 -8.884 -5.421 3.380 1.00 0.00 N ATOM 176 CA THR A 18 -7.877 -5.867 4.368 1.00 0.00 C ATOM 177 C THR A 18 -6.647 -6.402 3.630 1.00 0.00 C ATOM 178 O THR A 18 -6.768 -6.965 2.542 1.00 0.00 O ATOM 179 CB THR A 18 -8.467 -6.898 5.339 1.00 0.00 C ATOM 180 OG1 THR A 18 -7.446 -7.289 6.256 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.135 -8.106 4.673 1.00 0.00 C ATOM 0 H THR A 18 -9.316 -6.188 2.865 1.00 0.00 H new ATOM 0 HA THR A 18 -7.568 -5.018 4.978 1.00 0.00 H new ATOM 0 HB THR A 18 -9.290 -6.415 5.865 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.807 -7.947 6.886 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.521 -8.777 5.440 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.956 -7.766 4.042 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.404 -8.635 4.062 1.00 0.00 H new ATOM 184 N GLN A 19 -5.469 -6.258 4.229 1.00 0.00 N ATOM 185 CA GLN A 19 -4.198 -6.628 3.571 1.00 0.00 C ATOM 186 C GLN A 19 -4.114 -8.023 2.950 1.00 0.00 C ATOM 187 O GLN A 19 -3.706 -8.120 1.792 1.00 0.00 O ATOM 188 CB GLN A 19 -3.066 -6.442 4.551 1.00 0.00 C ATOM 189 CG GLN A 19 -2.157 -5.328 4.040 1.00 0.00 C ATOM 190 CD GLN A 19 -1.251 -4.747 5.108 1.00 0.00 C ATOM 191 OE1 GLN A 19 -1.211 -5.133 6.272 1.00 0.00 O ATOM 192 NE2 GLN A 19 -0.504 -3.749 4.702 1.00 0.00 N ATOM 0 H GLN A 19 -5.357 -5.887 5.173 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.130 -5.958 2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.457 -6.189 5.537 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.503 -7.369 4.659 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.544 -5.715 3.226 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.772 -4.530 3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.549 -3.440 3.731 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.122 -3.281 5.357 1.00 0.00 H new ATOM 194 N THR A 20 -4.568 -9.047 3.656 1.00 0.00 N ATOM 195 CA THR A 20 -4.692 -10.413 3.079 1.00 0.00 C ATOM 196 C THR A 20 -5.471 -10.484 1.763 1.00 0.00 C ATOM 197 O THR A 20 -4.987 -11.061 0.784 1.00 0.00 O ATOM 198 CB THR A 20 -5.229 -11.436 4.098 1.00 0.00 C ATOM 199 OG1 THR A 20 -5.459 -12.679 3.420 1.00 0.00 O ATOM 200 CG2 THR A 20 -6.489 -10.995 4.846 1.00 0.00 C ATOM 0 H THR A 20 -4.861 -8.977 4.630 1.00 0.00 H new ATOM 0 HA THR A 20 -3.667 -10.688 2.828 1.00 0.00 H new ATOM 0 HB THR A 20 -4.468 -11.539 4.871 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.800 -13.341 4.057 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.793 -11.778 5.541 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.282 -10.079 5.400 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.291 -10.813 4.131 1.00 0.00 H new ATOM 203 N GLU A 21 -6.529 -9.679 1.676 1.00 0.00 N ATOM 204 CA GLU A 21 -7.394 -9.559 0.482 1.00 0.00 C ATOM 205 C GLU A 21 -6.599 -8.959 -0.689 1.00 0.00 C ATOM 206 O GLU A 21 -6.454 -9.596 -1.735 1.00 0.00 O ATOM 207 CB GLU A 21 -8.589 -8.664 0.799 1.00 0.00 C ATOM 208 CG GLU A 21 -9.870 -9.187 0.156 1.00 0.00 C ATOM 209 CD GLU A 21 -11.086 -8.554 0.824 1.00 0.00 C ATOM 210 OE1 GLU A 21 -11.330 -8.907 2.001 1.00 0.00 O ATOM 211 OE2 GLU A 21 -11.678 -7.649 0.195 1.00 0.00 O ATOM 0 H GLU A 21 -6.823 -9.076 2.444 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.747 -10.551 0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.722 -8.603 1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.390 -7.652 0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.871 -8.959 -0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.917 -10.272 0.250 1.00 0.00 H new ATOM 213 N LEU A 22 -5.894 -7.880 -0.361 1.00 0.00 N ATOM 214 CA LEU A 22 -4.993 -7.172 -1.278 1.00 0.00 C ATOM 215 C LEU A 22 -3.855 -8.092 -1.771 1.00 0.00 C ATOM 216 O LEU A 22 -3.690 -8.268 -2.971 1.00 0.00 O ATOM 217 CB LEU A 22 -4.487 -5.941 -0.512 1.00 0.00 C ATOM 218 CG LEU A 22 -3.289 -5.241 -1.145 1.00 0.00 C ATOM 219 CD1 LEU A 22 -3.547 -4.782 -2.575 1.00 0.00 C ATOM 220 CD2 LEU A 22 -2.935 -4.036 -0.284 1.00 0.00 C ATOM 0 H LEU A 22 -5.931 -7.461 0.568 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.505 -6.859 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.304 -5.224 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.219 -6.245 0.500 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.470 -5.959 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.655 -4.292 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.789 -5.645 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.381 -4.081 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.079 -3.518 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.786 -3.357 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.685 -4.369 0.723 1.00 0.00 H new ATOM 222 N ALA A 23 -3.245 -8.798 -0.822 1.00 0.00 N ATOM 223 CA ALA A 23 -2.155 -9.752 -1.048 1.00 0.00 C ATOM 224 C ALA A 23 -2.540 -10.891 -2.013 1.00 0.00 C ATOM 225 O ALA A 23 -1.903 -11.062 -3.041 1.00 0.00 O ATOM 226 CB ALA A 23 -1.735 -10.315 0.305 1.00 0.00 C ATOM 0 H ALA A 23 -3.503 -8.721 0.162 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.329 -9.226 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.923 -11.029 0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.397 -9.502 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.584 -10.816 0.770 1.00 0.00 H new ATOM 228 N THR A 24 -3.721 -11.464 -1.776 1.00 0.00 N ATOM 229 CA THR A 24 -4.306 -12.570 -2.551 1.00 0.00 C ATOM 230 C THR A 24 -4.569 -12.146 -4.011 1.00 0.00 C ATOM 231 O THR A 24 -4.060 -12.773 -4.944 1.00 0.00 O ATOM 232 CB THR A 24 -5.584 -13.026 -1.825 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.281 -13.389 -0.479 1.00 0.00 O ATOM 234 CG2 THR A 24 -6.259 -14.215 -2.527 1.00 0.00 C ATOM 0 H THR A 24 -4.323 -11.162 -1.010 1.00 0.00 H new ATOM 0 HA THR A 24 -3.613 -13.409 -2.611 1.00 0.00 H new ATOM 0 HB THR A 24 -6.278 -12.185 -1.842 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.171 -12.579 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.156 -14.500 -1.978 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.531 -13.931 -3.543 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.569 -15.058 -2.558 1.00 0.00 H new ATOM 237 N LYS A 25 -5.279 -11.029 -4.165 1.00 0.00 N ATOM 238 CA LYS A 25 -5.548 -10.394 -5.476 1.00 0.00 C ATOM 239 C LYS A 25 -4.271 -9.992 -6.237 1.00 0.00 C ATOM 240 O LYS A 25 -4.139 -10.250 -7.433 1.00 0.00 O ATOM 241 CB LYS A 25 -6.434 -9.164 -5.256 1.00 0.00 C ATOM 242 CG LYS A 25 -7.897 -9.535 -5.036 1.00 0.00 C ATOM 243 CD LYS A 25 -8.715 -8.290 -4.675 1.00 0.00 C ATOM 244 CE LYS A 25 -10.203 -8.615 -4.523 1.00 0.00 C ATOM 245 NZ LYS A 25 -10.907 -7.428 -4.025 1.00 0.00 N ATOM 0 H LYS A 25 -5.693 -10.526 -3.380 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.051 -11.134 -6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.069 -8.606 -4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.355 -8.503 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.302 -9.995 -5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.976 -10.274 -4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.339 -7.864 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.585 -7.532 -5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.620 -8.924 -5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.337 -9.448 -3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.919 -7.643 -3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.514 -7.153 -3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.788 -6.645 -4.699 1.00 0.00 H new ATOM 250 N ALA A 26 -3.341 -9.387 -5.498 1.00 0.00 N ATOM 251 CA ALA A 26 -2.006 -8.984 -5.996 1.00 0.00 C ATOM 252 C ALA A 26 -1.030 -10.139 -6.301 1.00 0.00 C ATOM 253 O ALA A 26 0.020 -9.913 -6.903 1.00 0.00 O ATOM 254 CB ALA A 26 -1.354 -8.020 -5.005 1.00 0.00 C ATOM 0 H ALA A 26 -3.488 -9.154 -4.516 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.199 -8.507 -6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.372 -7.726 -5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.980 -7.134 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.245 -8.511 -4.038 1.00 0.00 H new ATOM 256 N GLY A 27 -1.388 -11.357 -5.885 1.00 0.00 N ATOM 257 CA GLY A 27 -0.571 -12.586 -6.044 1.00 0.00 C ATOM 258 C GLY A 27 0.661 -12.676 -5.107 1.00 0.00 C ATOM 259 O GLY A 27 1.666 -13.288 -5.473 1.00 0.00 O ATOM 0 H GLY A 27 -2.276 -11.531 -5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.207 -13.453 -5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.229 -12.646 -7.077 1.00 0.00 H new ATOM 261 N VAL A 28 0.495 -12.212 -3.874 1.00 0.00 N ATOM 262 CA VAL A 28 1.554 -12.141 -2.842 1.00 0.00 C ATOM 263 C VAL A 28 1.005 -12.391 -1.424 1.00 0.00 C ATOM 264 O VAL A 28 -0.181 -12.633 -1.236 1.00 0.00 O ATOM 265 CB VAL A 28 2.345 -10.826 -2.912 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.504 -10.933 -3.904 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.512 -9.564 -3.179 1.00 0.00 C ATOM 0 H VAL A 28 -0.403 -11.861 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 28 2.251 -12.949 -3.064 1.00 0.00 H new ATOM 0 HB VAL A 28 2.734 -10.691 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.046 -9.988 -3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.179 -11.729 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.114 -11.158 -4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.168 -8.694 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.998 -9.663 -4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.778 -9.438 -2.383 1.00 0.00 H new ATOM 269 N LYS A 29 1.907 -12.419 -0.450 1.00 0.00 N ATOM 270 CA LYS A 29 1.546 -12.633 0.975 1.00 0.00 C ATOM 271 C LYS A 29 1.263 -11.324 1.723 1.00 0.00 C ATOM 272 O LYS A 29 1.738 -10.253 1.348 1.00 0.00 O ATOM 273 CB LYS A 29 2.662 -13.429 1.671 1.00 0.00 C ATOM 274 CG LYS A 29 2.908 -14.811 1.044 1.00 0.00 C ATOM 275 CD LYS A 29 1.697 -15.748 1.159 1.00 0.00 C ATOM 276 CE LYS A 29 1.866 -16.994 0.296 1.00 0.00 C ATOM 277 NZ LYS A 29 1.843 -16.624 -1.135 1.00 0.00 N ATOM 0 H LYS A 29 2.907 -12.296 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 29 0.616 -13.201 0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.586 -12.852 1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.406 -13.556 2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.165 -14.686 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.767 -15.276 1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.561 -16.042 2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.795 -15.216 0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.807 -17.489 0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.068 -17.705 0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.619 -17.463 -1.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.120 -15.894 -1.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.775 -16.255 -1.413 1.00 0.00 H new ATOM 282 N GLN A 30 0.506 -11.430 2.819 1.00 0.00 N ATOM 283 CA GLN A 30 0.136 -10.257 3.646 1.00 0.00 C ATOM 284 C GLN A 30 1.365 -9.529 4.203 1.00 0.00 C ATOM 285 O GLN A 30 1.525 -8.318 4.008 1.00 0.00 O ATOM 286 CB GLN A 30 -0.819 -10.658 4.784 1.00 0.00 C ATOM 287 CG GLN A 30 -1.357 -9.413 5.495 1.00 0.00 C ATOM 288 CD GLN A 30 -2.259 -9.712 6.684 1.00 0.00 C ATOM 289 OE1 GLN A 30 -3.470 -9.891 6.559 1.00 0.00 O ATOM 290 NE2 GLN A 30 -1.720 -9.568 7.872 1.00 0.00 N ATOM 0 H GLN A 30 0.132 -12.315 3.162 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.384 -9.560 2.988 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.648 -11.242 4.383 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.297 -11.295 5.498 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.515 -8.811 5.835 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.911 -8.809 4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.715 -9.420 7.961 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.306 -9.604 8.706 1.00 0.00 H new ATOM 292 N GLN A 31 2.285 -10.308 4.772 1.00 0.00 N ATOM 293 CA GLN A 31 3.574 -9.845 5.336 1.00 0.00 C ATOM 294 C GLN A 31 4.384 -8.979 4.357 1.00 0.00 C ATOM 295 O GLN A 31 4.970 -7.981 4.772 1.00 0.00 O ATOM 296 CB GLN A 31 4.426 -11.049 5.783 1.00 0.00 C ATOM 297 CG GLN A 31 3.802 -11.871 6.926 1.00 0.00 C ATOM 298 CD GLN A 31 2.712 -12.870 6.491 1.00 0.00 C ATOM 299 OE1 GLN A 31 2.294 -12.991 5.346 1.00 0.00 O ATOM 300 NE2 GLN A 31 2.201 -13.615 7.443 1.00 0.00 N ATOM 0 H GLN A 31 2.158 -11.316 4.861 1.00 0.00 H new ATOM 0 HA GLN A 31 3.327 -9.219 6.194 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.589 -11.703 4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.405 -10.690 6.101 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.595 -12.420 7.433 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.373 -11.184 7.655 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.541 -13.523 8.400 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.464 -14.286 7.226 1.00 0.00 H new ATOM 302 N SER A 32 4.313 -9.317 3.072 1.00 0.00 N ATOM 303 CA SER A 32 4.933 -8.558 1.964 1.00 0.00 C ATOM 304 C SER A 32 4.428 -7.104 1.851 1.00 0.00 C ATOM 305 O SER A 32 5.208 -6.159 1.770 1.00 0.00 O ATOM 306 CB SER A 32 4.595 -9.310 0.677 1.00 0.00 C ATOM 307 OG SER A 32 4.951 -10.691 0.796 1.00 0.00 O ATOM 0 H SER A 32 3.812 -10.146 2.753 1.00 0.00 H new ATOM 0 HA SER A 32 6.005 -8.488 2.148 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.530 -9.220 0.465 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.126 -8.862 -0.163 1.00 0.00 H new ATOM 0 HG SER A 32 4.727 -11.159 -0.035 1.00 0.00 H new ATOM 310 N ILE A 33 3.104 -6.937 1.954 1.00 0.00 N ATOM 311 CA ILE A 33 2.415 -5.627 1.847 1.00 0.00 C ATOM 312 C ILE A 33 2.545 -4.845 3.178 1.00 0.00 C ATOM 313 O ILE A 33 2.639 -3.614 3.162 1.00 0.00 O ATOM 314 CB ILE A 33 0.926 -5.815 1.515 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.642 -6.922 0.473 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.285 -4.480 1.128 1.00 0.00 C ATOM 317 CD1 ILE A 33 1.260 -6.743 -0.910 1.00 0.00 C ATOM 0 H ILE A 33 2.464 -7.714 2.116 1.00 0.00 H new ATOM 0 HA ILE A 33 2.888 -5.064 1.042 1.00 0.00 H new ATOM 0 HB ILE A 33 0.454 -6.174 2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.993 -7.870 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.438 -7.006 0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.769 -4.636 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.375 -3.779 1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.792 -4.073 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.985 -7.586 -1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.892 -5.819 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.345 -6.696 -0.820 1.00 0.00 H new ATOM 319 N GLN A 34 2.470 -5.561 4.302 1.00 0.00 N ATOM 320 CA GLN A 34 2.723 -4.965 5.632 1.00 0.00 C ATOM 321 C GLN A 34 4.076 -4.248 5.682 1.00 0.00 C ATOM 322 O GLN A 34 4.136 -3.125 6.173 1.00 0.00 O ATOM 323 CB GLN A 34 2.701 -5.949 6.805 1.00 0.00 C ATOM 324 CG GLN A 34 1.393 -6.746 6.844 1.00 0.00 C ATOM 325 CD GLN A 34 1.160 -7.477 8.171 1.00 0.00 C ATOM 326 OE1 GLN A 34 1.085 -8.693 8.220 1.00 0.00 O ATOM 327 NE2 GLN A 34 0.770 -6.757 9.197 1.00 0.00 N ATOM 0 H GLN A 34 2.237 -6.554 4.326 1.00 0.00 H new ATOM 0 HA GLN A 34 1.888 -4.274 5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.544 -6.635 6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.824 -5.404 7.741 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.559 -6.069 6.660 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.397 -7.474 6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.832 -5.740 9.159 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.405 -7.215 10.032 1.00 0.00 H new ATOM 329 N LEU A 35 5.085 -4.822 5.034 1.00 0.00 N ATOM 330 CA LEU A 35 6.412 -4.185 4.899 1.00 0.00 C ATOM 331 C LEU A 35 6.406 -2.778 4.265 1.00 0.00 C ATOM 332 O LEU A 35 7.174 -1.909 4.666 1.00 0.00 O ATOM 333 CB LEU A 35 7.314 -5.147 4.123 1.00 0.00 C ATOM 334 CG LEU A 35 7.864 -6.239 5.041 1.00 0.00 C ATOM 335 CD1 LEU A 35 8.512 -7.327 4.191 1.00 0.00 C ATOM 336 CD2 LEU A 35 8.869 -5.700 6.066 1.00 0.00 C ATOM 0 H LEU A 35 5.018 -5.736 4.586 1.00 0.00 H new ATOM 0 HA LEU A 35 6.792 -4.005 5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.752 -5.601 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.139 -4.595 3.673 1.00 0.00 H new ATOM 0 HG LEU A 35 7.028 -6.648 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.906 -8.109 4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.768 -7.754 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.325 -6.896 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.226 -6.519 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.712 -5.246 5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.384 -4.951 6.692 1.00 0.00 H new ATOM 338 N ILE A 36 5.472 -2.546 3.338 1.00 0.00 N ATOM 339 CA ILE A 36 5.227 -1.203 2.759 1.00 0.00 C ATOM 340 C ILE A 36 4.520 -0.304 3.786 1.00 0.00 C ATOM 341 O ILE A 36 5.043 0.740 4.179 1.00 0.00 O ATOM 342 CB ILE A 36 4.378 -1.268 1.484 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.839 -2.415 0.558 1.00 0.00 C ATOM 344 CG2 ILE A 36 4.406 0.102 0.784 1.00 0.00 C ATOM 345 CD1 ILE A 36 3.869 -2.683 -0.577 1.00 0.00 C ATOM 0 H ILE A 36 4.863 -3.273 2.963 1.00 0.00 H new ATOM 0 HA ILE A 36 6.200 -0.786 2.499 1.00 0.00 H new ATOM 0 HB ILE A 36 3.345 -1.494 1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.817 -2.170 0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.961 -3.324 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.803 0.059 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.001 0.861 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.434 0.357 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.247 -3.499 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.897 -2.957 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.766 -1.785 -1.187 1.00 0.00 H new ATOM 347 N GLU A 37 3.363 -0.778 4.254 1.00 0.00 N ATOM 348 CA GLU A 37 2.523 -0.077 5.246 1.00 0.00 C ATOM 349 C GLU A 37 3.226 0.296 6.567 1.00 0.00 C ATOM 350 O GLU A 37 2.976 1.355 7.132 1.00 0.00 O ATOM 351 CB GLU A 37 1.253 -0.893 5.494 1.00 0.00 C ATOM 352 CG GLU A 37 0.008 0.009 5.527 1.00 0.00 C ATOM 353 CD GLU A 37 -0.013 0.965 6.734 1.00 0.00 C ATOM 354 OE1 GLU A 37 -0.317 0.443 7.833 1.00 0.00 O ATOM 355 OE2 GLU A 37 0.261 2.162 6.521 1.00 0.00 O ATOM 0 H GLU A 37 2.972 -1.671 3.955 1.00 0.00 H new ATOM 0 HA GLU A 37 2.277 0.890 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.141 -1.643 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.341 -1.430 6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.035 0.593 4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.885 -0.615 5.550 1.00 0.00 H new ATOM 357 N ALA A 38 4.145 -0.565 7.011 1.00 0.00 N ATOM 358 CA ALA A 38 5.000 -0.366 8.194 1.00 0.00 C ATOM 359 C ALA A 38 6.132 0.665 7.988 1.00 0.00 C ATOM 360 O ALA A 38 6.819 1.044 8.938 1.00 0.00 O ATOM 361 CB ALA A 38 5.576 -1.735 8.580 1.00 0.00 C ATOM 0 H ALA A 38 4.324 -1.453 6.543 1.00 0.00 H new ATOM 0 HA ALA A 38 4.386 0.053 8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.217 -1.627 9.455 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.761 -2.421 8.810 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.160 -2.131 7.750 1.00 0.00 H new ATOM 363 N GLY A 39 6.324 1.092 6.733 1.00 0.00 N ATOM 364 CA GLY A 39 7.366 2.056 6.323 1.00 0.00 C ATOM 365 C GLY A 39 8.786 1.487 6.177 1.00 0.00 C ATOM 366 O GLY A 39 9.751 2.247 6.244 1.00 0.00 O ATOM 0 H GLY A 39 5.749 0.773 5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.072 2.496 5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.393 2.865 7.053 1.00 0.00 H new ATOM 368 N VAL A 40 8.906 0.201 5.830 1.00 0.00 N ATOM 369 CA VAL A 40 10.236 -0.437 5.636 1.00 0.00 C ATOM 370 C VAL A 40 10.616 -0.553 4.154 1.00 0.00 C ATOM 371 O VAL A 40 11.732 -0.244 3.753 1.00 0.00 O ATOM 372 CB VAL A 40 10.280 -1.806 6.348 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.593 -2.563 6.114 1.00 0.00 C ATOM 374 CG2 VAL A 40 10.080 -1.660 7.856 1.00 0.00 C ATOM 0 H VAL A 40 8.114 -0.423 5.676 1.00 0.00 H new ATOM 0 HA VAL A 40 10.986 0.211 6.090 1.00 0.00 H new ATOM 0 HB VAL A 40 9.463 -2.379 5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.562 -3.517 6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.725 -2.741 5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.427 -1.969 6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.117 -2.643 8.325 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.869 -1.032 8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.111 -1.201 8.052 1.00 0.00 H new ATOM 376 N THR A 41 9.674 -1.035 3.345 1.00 0.00 N ATOM 377 CA THR A 41 9.965 -1.417 1.952 1.00 0.00 C ATOM 378 C THR A 41 9.523 -0.320 0.979 1.00 0.00 C ATOM 379 O THR A 41 8.521 -0.410 0.279 1.00 0.00 O ATOM 380 CB THR A 41 9.335 -2.778 1.667 1.00 0.00 C ATOM 381 OG1 THR A 41 9.710 -3.695 2.704 1.00 0.00 O ATOM 382 CG2 THR A 41 9.820 -3.369 0.330 1.00 0.00 C ATOM 0 H THR A 41 8.702 -1.172 3.624 1.00 0.00 H new ATOM 0 HA THR A 41 11.040 -1.518 1.804 1.00 0.00 H new ATOM 0 HB THR A 41 8.255 -2.634 1.622 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.699 -4.609 2.352 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.347 -4.337 0.167 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.555 -2.694 -0.484 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.902 -3.494 0.359 1.00 0.00 H new ATOM 385 N LYS A 42 10.353 0.710 1.008 1.00 0.00 N ATOM 386 CA LYS A 42 10.203 1.915 0.163 1.00 0.00 C ATOM 387 C LYS A 42 10.261 1.756 -1.363 1.00 0.00 C ATOM 388 O LYS A 42 10.078 2.732 -2.097 1.00 0.00 O ATOM 389 CB LYS A 42 11.180 2.979 0.660 1.00 0.00 C ATOM 390 CG LYS A 42 10.664 3.525 1.989 1.00 0.00 C ATOM 391 CD LYS A 42 11.727 4.389 2.653 1.00 0.00 C ATOM 392 CE LYS A 42 11.166 4.943 3.958 1.00 0.00 C ATOM 393 NZ LYS A 42 12.299 5.475 4.726 1.00 0.00 N ATOM 0 H LYS A 42 11.166 0.747 1.623 1.00 0.00 H new ATOM 0 HA LYS A 42 9.162 2.211 0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.174 2.551 0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.269 3.783 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.760 4.112 1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.392 2.700 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.624 3.801 2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.018 5.205 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.434 5.726 3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.654 4.161 4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.955 5.864 5.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.979 4.711 4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.766 6.227 4.180 1.00 0.00 H new ATOM 398 N ARG A 43 10.659 0.570 -1.823 1.00 0.00 N ATOM 399 CA ARG A 43 10.503 0.119 -3.221 1.00 0.00 C ATOM 400 C ARG A 43 10.112 -1.367 -3.266 1.00 0.00 C ATOM 401 O ARG A 43 10.912 -2.211 -2.855 1.00 0.00 O ATOM 402 CB ARG A 43 11.789 0.375 -4.021 1.00 0.00 C ATOM 403 CG ARG A 43 11.796 1.762 -4.683 1.00 0.00 C ATOM 404 CD ARG A 43 10.873 1.770 -5.898 1.00 0.00 C ATOM 405 NE ARG A 43 10.801 3.113 -6.499 1.00 0.00 N ATOM 406 CZ ARG A 43 10.434 3.374 -7.759 1.00 0.00 C ATOM 407 NH1 ARG A 43 10.135 2.395 -8.589 1.00 0.00 N ATOM 408 NH2 ARG A 43 10.342 4.630 -8.182 1.00 0.00 N ATOM 0 H ARG A 43 11.110 -0.125 -1.228 1.00 0.00 H new ATOM 0 HA ARG A 43 9.701 0.695 -3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.650 0.286 -3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.896 -0.392 -4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.472 2.517 -3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.810 2.024 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.234 1.056 -6.638 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.875 1.446 -5.603 1.00 0.00 H new ATOM 0 HE ARG A 43 11.050 3.906 -5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.182 1.426 -8.273 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.856 2.606 -9.547 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.551 5.399 -7.546 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.062 4.825 -9.143 1.00 0.00 H new ATOM 411 N PRO A 44 8.827 -1.664 -3.517 1.00 0.00 N ATOM 412 CA PRO A 44 8.373 -3.057 -3.748 1.00 0.00 C ATOM 413 C PRO A 44 8.567 -3.484 -5.204 1.00 0.00 C ATOM 414 O PRO A 44 8.381 -2.690 -6.119 1.00 0.00 O ATOM 415 CB PRO A 44 6.877 -3.071 -3.431 1.00 0.00 C ATOM 416 CG PRO A 44 6.661 -1.812 -2.611 1.00 0.00 C ATOM 417 CD PRO A 44 7.677 -0.815 -3.155 1.00 0.00 C ATOM 0 HA PRO A 44 8.948 -3.744 -3.127 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.277 -3.062 -4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.596 -3.964 -2.872 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.643 -1.439 -2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.820 -1.999 -1.549 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.288 -0.275 -4.019 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.948 -0.069 -2.408 1.00 0.00 H new ATOM 418 N ARG A 45 8.987 -4.735 -5.382 1.00 0.00 N ATOM 419 CA ARG A 45 8.948 -5.408 -6.695 1.00 0.00 C ATOM 420 C ARG A 45 7.498 -5.593 -7.198 1.00 0.00 C ATOM 421 O ARG A 45 7.116 -5.060 -8.230 1.00 0.00 O ATOM 422 CB ARG A 45 9.655 -6.772 -6.646 1.00 0.00 C ATOM 423 CG ARG A 45 11.193 -6.700 -6.579 1.00 0.00 C ATOM 424 CD ARG A 45 11.754 -6.110 -5.268 1.00 0.00 C ATOM 425 NE ARG A 45 11.348 -6.942 -4.122 1.00 0.00 N ATOM 426 CZ ARG A 45 10.717 -6.548 -3.016 1.00 0.00 C ATOM 427 NH1 ARG A 45 10.572 -5.280 -2.660 1.00 0.00 N ATOM 428 NH2 ARG A 45 10.387 -7.473 -2.122 1.00 0.00 N ATOM 0 H ARG A 45 9.363 -5.314 -4.631 1.00 0.00 H new ATOM 0 HA ARG A 45 9.478 -4.761 -7.394 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.293 -7.322 -5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.370 -7.345 -7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.596 -7.704 -6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.552 -6.099 -7.415 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.841 -6.056 -5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.391 -5.091 -5.134 1.00 0.00 H new ATOM 0 HE ARG A 45 11.576 -7.934 -4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.955 -4.539 -3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.077 -5.045 -1.799 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.617 -8.452 -2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.903 -7.204 -1.265 1.00 0.00 H new ATOM 431 N PHE A 46 6.686 -6.213 -6.343 1.00 0.00 N ATOM 432 CA PHE A 46 5.225 -6.443 -6.544 1.00 0.00 C ATOM 433 C PHE A 46 4.316 -5.197 -6.474 1.00 0.00 C ATOM 434 O PHE A 46 3.095 -5.301 -6.350 1.00 0.00 O ATOM 435 CB PHE A 46 4.718 -7.514 -5.562 1.00 0.00 C ATOM 436 CG PHE A 46 5.247 -7.347 -4.128 1.00 0.00 C ATOM 437 CD1 PHE A 46 4.633 -6.410 -3.279 1.00 0.00 C ATOM 438 CD2 PHE A 46 6.342 -8.119 -3.683 1.00 0.00 C ATOM 439 CE1 PHE A 46 5.111 -6.232 -1.961 1.00 0.00 C ATOM 440 CE2 PHE A 46 6.822 -7.950 -2.367 1.00 0.00 C ATOM 441 CZ PHE A 46 6.188 -7.017 -1.517 1.00 0.00 C ATOM 0 H PHE A 46 7.022 -6.588 -5.456 1.00 0.00 H new ATOM 0 HA PHE A 46 5.148 -6.778 -7.578 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.629 -7.487 -5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.006 -8.498 -5.933 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.796 -5.826 -3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.809 -8.834 -4.345 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.656 -5.504 -1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.664 -8.527 -2.014 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.539 -6.904 -0.502 1.00 0.00 H new ATOM 443 N LEU A 47 4.891 -4.045 -6.798 1.00 0.00 N ATOM 444 CA LEU A 47 4.216 -2.743 -6.721 1.00 0.00 C ATOM 445 C LEU A 47 3.017 -2.621 -7.675 1.00 0.00 C ATOM 446 O LEU A 47 1.898 -2.355 -7.250 1.00 0.00 O ATOM 447 CB LEU A 47 5.335 -1.729 -7.024 1.00 0.00 C ATOM 448 CG LEU A 47 4.952 -0.256 -6.928 1.00 0.00 C ATOM 449 CD1 LEU A 47 4.810 0.169 -5.469 1.00 0.00 C ATOM 450 CD2 LEU A 47 6.084 0.497 -7.612 1.00 0.00 C ATOM 0 H LEU A 47 5.854 -3.982 -7.127 1.00 0.00 H new ATOM 0 HA LEU A 47 3.760 -2.576 -5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.160 -1.914 -6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.709 -1.921 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 47 3.991 -0.051 -7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.536 1.223 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.035 -0.429 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.757 0.017 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.879 1.567 -7.583 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.022 0.293 -7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.163 0.171 -8.649 1.00 0.00 H new ATOM 452 N PHE A 48 3.242 -3.036 -8.924 1.00 0.00 N ATOM 453 CA PHE A 48 2.229 -3.044 -9.997 1.00 0.00 C ATOM 454 C PHE A 48 1.008 -3.917 -9.666 1.00 0.00 C ATOM 455 O PHE A 48 -0.144 -3.547 -9.855 1.00 0.00 O ATOM 456 CB PHE A 48 2.913 -3.586 -11.252 1.00 0.00 C ATOM 457 CG PHE A 48 2.164 -3.178 -12.520 1.00 0.00 C ATOM 458 CD1 PHE A 48 2.300 -1.857 -13.007 1.00 0.00 C ATOM 459 CD2 PHE A 48 1.335 -4.123 -13.182 1.00 0.00 C ATOM 460 CE1 PHE A 48 1.593 -1.470 -14.171 1.00 0.00 C ATOM 461 CE2 PHE A 48 0.637 -3.733 -14.348 1.00 0.00 C ATOM 462 CZ PHE A 48 0.774 -2.415 -14.825 1.00 0.00 C ATOM 0 H PHE A 48 4.151 -3.384 -9.230 1.00 0.00 H new ATOM 0 HA PHE A 48 1.853 -2.030 -10.131 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.937 -3.215 -11.298 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.970 -4.673 -11.196 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.937 -1.150 -12.496 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.239 -5.128 -12.799 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.679 -0.464 -14.554 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.005 -4.438 -14.867 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.238 -2.120 -15.715 1.00 0.00 H new ATOM 464 N GLU A 49 1.344 -5.078 -9.103 1.00 0.00 N ATOM 465 CA GLU A 49 0.404 -6.111 -8.640 1.00 0.00 C ATOM 466 C GLU A 49 -0.562 -5.560 -7.577 1.00 0.00 C ATOM 467 O GLU A 49 -1.764 -5.498 -7.839 1.00 0.00 O ATOM 468 CB GLU A 49 1.236 -7.302 -8.136 1.00 0.00 C ATOM 469 CG GLU A 49 1.854 -8.151 -9.254 1.00 0.00 C ATOM 470 CD GLU A 49 2.882 -7.455 -10.147 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.683 -6.649 -9.611 1.00 0.00 O ATOM 472 OE2 GLU A 49 2.824 -7.693 -11.367 1.00 0.00 O ATOM 0 H GLU A 49 2.318 -5.340 -8.949 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.237 -6.443 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.034 -6.928 -7.494 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.602 -7.939 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.329 -9.021 -8.800 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.048 -8.522 -9.887 1.00 0.00 H new ATOM 474 N ILE A 50 0.008 -4.878 -6.587 1.00 0.00 N ATOM 475 CA ILE A 50 -0.743 -4.188 -5.525 1.00 0.00 C ATOM 476 C ILE A 50 -1.642 -3.091 -6.118 1.00 0.00 C ATOM 477 O ILE A 50 -2.817 -3.014 -5.777 1.00 0.00 O ATOM 478 CB ILE A 50 0.208 -3.582 -4.477 1.00 0.00 C ATOM 479 CG1 ILE A 50 1.062 -4.703 -3.874 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.556 -2.782 -3.406 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.213 -4.141 -3.049 1.00 0.00 C ATOM 0 H ILE A 50 1.019 -4.784 -6.493 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.372 -4.928 -5.031 1.00 0.00 H new ATOM 0 HB ILE A 50 0.869 -2.863 -4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.439 -5.340 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.457 -5.331 -4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.151 -2.371 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.104 -1.968 -3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.257 -3.440 -2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.799 -4.962 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.849 -3.525 -3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.815 -3.534 -2.236 1.00 0.00 H new ATOM 483 N ALA A 51 -1.077 -2.298 -7.013 1.00 0.00 N ATOM 484 CA ALA A 51 -1.772 -1.160 -7.642 1.00 0.00 C ATOM 485 C ALA A 51 -3.118 -1.522 -8.266 1.00 0.00 C ATOM 486 O ALA A 51 -4.153 -1.103 -7.759 1.00 0.00 O ATOM 487 CB ALA A 51 -0.835 -0.556 -8.683 1.00 0.00 C ATOM 0 H ALA A 51 -0.116 -2.417 -7.334 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.012 -0.439 -6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.324 0.290 -9.166 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.080 -0.217 -8.196 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.590 -1.309 -9.432 1.00 0.00 H new ATOM 489 N MET A 52 -3.097 -2.488 -9.174 1.00 0.00 N ATOM 490 CA MET A 52 -4.292 -2.961 -9.898 1.00 0.00 C ATOM 491 C MET A 52 -5.232 -3.770 -8.992 1.00 0.00 C ATOM 492 O MET A 52 -6.443 -3.547 -9.003 1.00 0.00 O ATOM 493 CB MET A 52 -3.805 -3.756 -11.110 1.00 0.00 C ATOM 494 CG MET A 52 -3.090 -2.838 -12.116 1.00 0.00 C ATOM 495 SD MET A 52 -4.200 -1.651 -12.951 1.00 0.00 S ATOM 496 CE MET A 52 -2.992 -0.474 -13.545 1.00 0.00 C ATOM 0 H MET A 52 -2.243 -2.978 -9.439 1.00 0.00 H new ATOM 0 HA MET A 52 -4.893 -2.116 -10.233 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.126 -4.544 -10.784 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.651 -4.244 -11.594 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.307 -2.285 -11.596 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.599 -3.454 -12.870 1.00 0.00 H new ATOM 0 HE1 MET A 52 -3.499 0.327 -14.084 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.447 -0.054 -12.700 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.293 -0.976 -14.214 1.00 0.00 H new ATOM 498 N ALA A 53 -4.642 -4.541 -8.089 1.00 0.00 N ATOM 499 CA ALA A 53 -5.336 -5.249 -6.990 1.00 0.00 C ATOM 500 C ALA A 53 -6.114 -4.293 -6.064 1.00 0.00 C ATOM 501 O ALA A 53 -7.185 -4.633 -5.562 1.00 0.00 O ATOM 502 CB ALA A 53 -4.325 -6.040 -6.165 1.00 0.00 C ATOM 0 H ALA A 53 -3.635 -4.705 -8.090 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.061 -5.920 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.841 -6.559 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.825 -6.768 -6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.586 -5.358 -5.744 1.00 0.00 H new ATOM 504 N LEU A 54 -5.509 -3.142 -5.768 1.00 0.00 N ATOM 505 CA LEU A 54 -6.127 -2.096 -4.932 1.00 0.00 C ATOM 506 C LEU A 54 -6.776 -0.947 -5.751 1.00 0.00 C ATOM 507 O LEU A 54 -7.213 0.069 -5.205 1.00 0.00 O ATOM 508 CB LEU A 54 -5.037 -1.593 -3.980 1.00 0.00 C ATOM 509 CG LEU A 54 -5.582 -1.017 -2.671 1.00 0.00 C ATOM 510 CD1 LEU A 54 -6.352 -2.064 -1.848 1.00 0.00 C ATOM 511 CD2 LEU A 54 -4.458 -0.422 -1.834 1.00 0.00 C ATOM 0 H LEU A 54 -4.574 -2.902 -6.099 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.965 -2.518 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.359 -2.415 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.449 -0.828 -4.487 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.284 -0.229 -2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.719 -1.607 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.195 -2.436 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.688 -2.893 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.868 -0.018 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.729 -1.198 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.971 0.377 -2.394 1.00 0.00 H new ATOM 513 N ASN A 55 -6.866 -1.164 -7.065 1.00 0.00 N ATOM 514 CA ASN A 55 -7.507 -0.282 -8.058 1.00 0.00 C ATOM 515 C ASN A 55 -7.000 1.169 -8.068 1.00 0.00 C ATOM 516 O ASN A 55 -7.705 2.123 -8.389 1.00 0.00 O ATOM 517 CB ASN A 55 -9.038 -0.382 -7.947 1.00 0.00 C ATOM 518 CG ASN A 55 -9.551 -1.710 -8.529 1.00 0.00 C ATOM 519 OD1 ASN A 55 -10.062 -1.774 -9.637 1.00 0.00 O ATOM 520 ND2 ASN A 55 -9.468 -2.785 -7.777 1.00 0.00 N ATOM 0 H ASN A 55 -6.475 -2.003 -7.493 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.202 -0.654 -9.036 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.336 -0.301 -6.902 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.499 0.452 -8.476 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.831 -3.675 -8.118 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.041 -2.729 -6.852 1.00 0.00 H new ATOM 522 N CYS A 56 -5.695 1.266 -7.882 1.00 0.00 N ATOM 523 CA CYS A 56 -4.961 2.547 -7.839 1.00 0.00 C ATOM 524 C CYS A 56 -3.655 2.483 -8.651 1.00 0.00 C ATOM 525 O CYS A 56 -3.327 1.467 -9.277 1.00 0.00 O ATOM 526 CB CYS A 56 -4.722 2.967 -6.386 1.00 0.00 C ATOM 527 SG CYS A 56 -3.461 2.001 -5.471 1.00 0.00 S ATOM 0 H CYS A 56 -5.094 0.452 -7.753 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.574 3.314 -8.313 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.426 4.016 -6.375 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.667 2.897 -5.847 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.357 2.461 -4.259 1.00 0.00 H new ATOM 529 N ASP A 57 -2.847 3.518 -8.473 1.00 0.00 N ATOM 530 CA ASP A 57 -1.652 3.762 -9.296 1.00 0.00 C ATOM 531 C ASP A 57 -0.359 3.499 -8.484 1.00 0.00 C ATOM 532 O ASP A 57 -0.241 4.033 -7.372 1.00 0.00 O ATOM 533 CB ASP A 57 -1.780 5.213 -9.758 1.00 0.00 C ATOM 534 CG ASP A 57 -0.769 5.664 -10.807 1.00 0.00 C ATOM 535 OD1 ASP A 57 0.434 5.664 -10.466 1.00 0.00 O ATOM 536 OD2 ASP A 57 -1.228 6.119 -11.880 1.00 0.00 O ATOM 0 H ASP A 57 -2.996 4.222 -7.750 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.585 3.090 -10.151 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.783 5.360 -10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.687 5.862 -8.887 1.00 0.00 H new