USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 855 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 SER OG : rot 57:sc= 1.27 USER MOD Single : A 30 ASN : amide:sc= 0.119 K(o=0.12,f=-3.8!) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.0549 (180deg=-0.454) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.18) USER MOD Single : A 41 MET CE :methyl 159:sc= -2.57! (180deg=-3.67) USER MOD Single : A 44 LYS NZ :NH3+ -164:sc= -0.0613 (180deg=-0.34) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.0292 F(o=-1.3!,f=-0.029) USER MOD Single : A 51 THR OG1 : rot 47:sc= 0.137 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00735 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 1.16 (180deg=1.05) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= -0.012 (180deg=-0.218) USER MOD Single : A 81 THR OG1 : rot 128:sc= 1.16 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0237) USER MOD Single : A 90 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= 2.19 (180deg=1.62) USER MOD Single : A 93 LYS NZ :NH3+ -133:sc= -0.268 (180deg=-1.37) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0424) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0298 F(o=-1.8!,f=-0.03) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 136:sc= 1.24 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 147:sc= 0.298 (180deg=-0.0234) USER MOD Single : A 123 SER OG : rot -172:sc= -1.47! USER MOD ----------------------------------------------------------------- ATOM 17 N ARG A 22 3.867 -13.814 0.045 1.00 0.88 N ATOM 18 CA ARG A 22 3.510 -12.810 -0.942 1.00 0.73 C ATOM 19 C ARG A 22 3.071 -11.518 -0.265 1.00 0.55 C ATOM 20 O ARG A 22 1.924 -11.372 0.166 1.00 0.56 O ATOM 21 CB ARG A 22 2.416 -13.337 -1.879 1.00 0.86 C ATOM 22 CG ARG A 22 1.935 -12.323 -2.912 1.00 1.33 C ATOM 23 CD ARG A 22 3.093 -11.666 -3.654 1.00 1.33 C ATOM 24 NE ARG A 22 3.988 -12.640 -4.277 1.00 1.91 N ATOM 25 CZ ARG A 22 5.220 -12.350 -4.701 1.00 2.43 C ATOM 26 NH1 ARG A 22 5.692 -11.115 -4.583 1.00 2.62 N ATOM 27 NH2 ARG A 22 5.980 -13.293 -5.237 1.00 3.31 N ATOM 0 HA ARG A 22 4.394 -12.592 -1.542 1.00 0.73 H new ATOM 0 HB2 ARG A 22 2.792 -14.218 -2.399 1.00 0.86 H new ATOM 0 HB3 ARG A 22 1.565 -13.660 -1.280 1.00 0.86 H new ATOM 0 HG2 ARG A 22 1.281 -12.819 -3.629 1.00 1.33 H new ATOM 0 HG3 ARG A 22 1.341 -11.555 -2.416 1.00 1.33 H new ATOM 0 HD2 ARG A 22 2.697 -11.000 -4.421 1.00 1.33 H new ATOM 0 HD3 ARG A 22 3.662 -11.049 -2.958 1.00 1.33 H new ATOM 0 HE ARG A 22 3.652 -13.596 -4.394 1.00 1.91 H new ATOM 0 HH11 ARG A 22 5.113 -10.385 -4.168 1.00 2.62 H new ATOM 0 HH12 ARG A 22 6.634 -10.896 -4.908 1.00 2.62 H new ATOM 0 HH21 ARG A 22 5.624 -14.245 -5.327 1.00 3.31 H new ATOM 0 HH22 ARG A 22 6.921 -13.067 -5.560 1.00 3.31 H new ATOM 41 N LEU A 23 4.005 -10.590 -0.161 1.00 0.51 N ATOM 42 CA LEU A 23 3.726 -9.272 0.366 1.00 0.43 C ATOM 43 C LEU A 23 3.350 -8.345 -0.779 1.00 0.37 C ATOM 44 O LEU A 23 4.128 -8.159 -1.715 1.00 0.40 O ATOM 45 CB LEU A 23 4.951 -8.728 1.102 1.00 0.58 C ATOM 46 CG LEU A 23 5.475 -9.603 2.242 1.00 1.05 C ATOM 47 CD1 LEU A 23 6.769 -9.031 2.795 1.00 1.76 C ATOM 48 CD2 LEU A 23 4.434 -9.726 3.343 1.00 1.55 C ATOM 0 H LEU A 23 4.976 -10.731 -0.440 1.00 0.51 H new ATOM 0 HA LEU A 23 2.898 -9.332 1.072 1.00 0.43 H new ATOM 0 HB2 LEU A 23 5.754 -8.584 0.379 1.00 0.58 H new ATOM 0 HB3 LEU A 23 4.705 -7.745 1.505 1.00 0.58 H new ATOM 0 HG LEU A 23 5.676 -10.599 1.848 1.00 1.05 H new ATOM 0 HD11 LEU A 23 7.130 -9.664 3.605 1.00 1.76 H new ATOM 0 HD12 LEU A 23 7.518 -8.993 2.004 1.00 1.76 H new ATOM 0 HD13 LEU A 23 6.590 -8.025 3.173 1.00 1.76 H new ATOM 0 HD21 LEU A 23 4.825 -10.352 4.145 1.00 1.55 H new ATOM 0 HD22 LEU A 23 4.201 -8.736 3.736 1.00 1.55 H new ATOM 0 HD23 LEU A 23 3.528 -10.178 2.939 1.00 1.55 H new ATOM 60 N VAL A 24 2.155 -7.793 -0.719 1.00 0.35 N ATOM 61 CA VAL A 24 1.677 -6.902 -1.763 1.00 0.37 C ATOM 62 C VAL A 24 1.569 -5.485 -1.222 1.00 0.38 C ATOM 63 O VAL A 24 0.853 -5.237 -0.255 1.00 0.42 O ATOM 64 CB VAL A 24 0.303 -7.350 -2.304 1.00 0.42 C ATOM 65 CG1 VAL A 24 -0.111 -6.492 -3.488 1.00 0.46 C ATOM 66 CG2 VAL A 24 0.325 -8.821 -2.691 1.00 0.45 C ATOM 0 H VAL A 24 1.494 -7.945 0.043 1.00 0.35 H new ATOM 0 HA VAL A 24 2.394 -6.934 -2.583 1.00 0.37 H new ATOM 0 HB VAL A 24 -0.432 -7.220 -1.510 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -1.082 -6.823 -3.855 1.00 0.46 H new ATOM 0 HG12 VAL A 24 -0.177 -5.450 -3.176 1.00 0.46 H new ATOM 0 HG13 VAL A 24 0.629 -6.587 -4.283 1.00 0.46 H new ATOM 0 HG21 VAL A 24 -0.655 -9.112 -3.069 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.075 -8.982 -3.465 1.00 0.45 H new ATOM 0 HG23 VAL A 24 0.570 -9.424 -1.816 1.00 0.45 H new ATOM 76 N VAL A 25 2.289 -4.561 -1.829 1.00 0.39 N ATOM 77 CA VAL A 25 2.300 -3.188 -1.358 1.00 0.41 C ATOM 78 C VAL A 25 1.878 -2.233 -2.469 1.00 0.39 C ATOM 79 O VAL A 25 2.564 -2.094 -3.475 1.00 0.42 O ATOM 80 CB VAL A 25 3.700 -2.787 -0.837 1.00 0.46 C ATOM 81 CG1 VAL A 25 3.683 -1.383 -0.261 1.00 0.51 C ATOM 82 CG2 VAL A 25 4.191 -3.782 0.205 1.00 0.52 C ATOM 0 H VAL A 25 2.873 -4.735 -2.647 1.00 0.39 H new ATOM 0 HA VAL A 25 1.588 -3.119 -0.536 1.00 0.41 H new ATOM 0 HB VAL A 25 4.389 -2.801 -1.681 1.00 0.46 H new ATOM 0 HG11 VAL A 25 4.679 -1.125 0.098 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.382 -0.676 -1.034 1.00 0.51 H new ATOM 0 HG13 VAL A 25 2.976 -1.338 0.567 1.00 0.51 H new ATOM 0 HG21 VAL A 25 5.177 -3.482 0.559 1.00 0.52 H new ATOM 0 HG22 VAL A 25 3.496 -3.803 1.044 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.252 -4.775 -0.240 1.00 0.52 H new ATOM 92 N LEU A 26 0.737 -1.593 -2.298 1.00 0.40 N ATOM 93 CA LEU A 26 0.295 -0.578 -3.241 1.00 0.38 C ATOM 94 C LEU A 26 0.439 0.792 -2.608 1.00 0.37 C ATOM 95 O LEU A 26 -0.141 1.057 -1.559 1.00 0.48 O ATOM 96 CB LEU A 26 -1.160 -0.793 -3.678 1.00 0.46 C ATOM 97 CG LEU A 26 -1.423 -2.032 -4.535 1.00 0.56 C ATOM 98 CD1 LEU A 26 -1.719 -3.243 -3.669 1.00 1.15 C ATOM 99 CD2 LEU A 26 -2.567 -1.771 -5.497 1.00 1.33 C ATOM 0 H LEU A 26 0.100 -1.756 -1.518 1.00 0.40 H new ATOM 0 HA LEU A 26 0.921 -0.653 -4.131 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.782 -0.854 -2.785 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.486 0.086 -4.234 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.523 -2.246 -5.111 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -1.902 -4.109 -4.305 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -0.867 -3.443 -3.020 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -2.601 -3.048 -3.059 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -2.744 -2.661 -6.101 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -3.468 -1.530 -4.934 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -2.311 -0.935 -6.148 1.00 1.33 H new ATOM 111 N ILE A 27 1.218 1.660 -3.226 1.00 0.33 N ATOM 112 CA ILE A 27 1.431 2.979 -2.661 1.00 0.36 C ATOM 113 C ILE A 27 0.754 4.047 -3.509 1.00 0.39 C ATOM 114 O ILE A 27 0.673 3.934 -4.733 1.00 0.40 O ATOM 115 CB ILE A 27 2.939 3.299 -2.451 1.00 0.44 C ATOM 116 CG1 ILE A 27 3.726 3.336 -3.762 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.574 2.280 -1.517 1.00 1.32 C ATOM 118 CD1 ILE A 27 3.749 4.695 -4.436 1.00 1.36 C ATOM 0 H ILE A 27 1.706 1.481 -4.104 1.00 0.33 H new ATOM 0 HA ILE A 27 0.971 2.982 -1.673 1.00 0.36 H new ATOM 0 HB ILE A 27 2.983 4.294 -2.009 1.00 0.44 H new ATOM 0 HG12 ILE A 27 4.751 3.023 -3.566 1.00 0.93 H new ATOM 0 HG13 ILE A 27 3.297 2.609 -4.451 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.629 2.519 -1.381 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.069 2.307 -0.552 1.00 1.32 H new ATOM 0 HG23 ILE A 27 3.480 1.283 -1.948 1.00 1.32 H new ATOM 0 HD11 ILE A 27 4.327 4.634 -5.358 1.00 1.36 H new ATOM 0 HD12 ILE A 27 2.730 5.004 -4.667 1.00 1.36 H new ATOM 0 HD13 ILE A 27 4.207 5.425 -3.768 1.00 1.36 H new ATOM 130 N VAL A 28 0.248 5.062 -2.833 1.00 0.48 N ATOM 131 CA VAL A 28 -0.423 6.178 -3.469 1.00 0.56 C ATOM 132 C VAL A 28 0.601 7.251 -3.821 1.00 0.86 C ATOM 133 O VAL A 28 1.503 7.547 -3.034 1.00 1.37 O ATOM 134 CB VAL A 28 -1.526 6.744 -2.536 1.00 0.77 C ATOM 135 CG1 VAL A 28 -1.986 8.123 -2.980 1.00 1.12 C ATOM 136 CG2 VAL A 28 -2.711 5.792 -2.490 1.00 1.17 C ATOM 0 H VAL A 28 0.292 5.134 -1.817 1.00 0.48 H new ATOM 0 HA VAL A 28 -0.904 5.839 -4.387 1.00 0.56 H new ATOM 0 HB VAL A 28 -1.097 6.841 -1.539 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -2.758 8.485 -2.301 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -1.140 8.810 -2.967 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -2.390 8.064 -3.991 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -3.479 6.199 -1.832 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -3.119 5.671 -3.493 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.385 4.823 -2.111 1.00 1.17 H new ATOM 146 N SER A 29 0.460 7.808 -5.016 1.00 0.85 N ATOM 147 CA SER A 29 1.464 8.693 -5.589 1.00 1.25 C ATOM 148 C SER A 29 1.665 9.990 -4.817 1.00 0.83 C ATOM 149 O SER A 29 0.852 10.387 -3.976 1.00 1.53 O ATOM 150 CB SER A 29 1.117 9.030 -7.028 1.00 2.38 C ATOM 151 OG SER A 29 1.226 7.891 -7.864 1.00 3.23 O ATOM 0 H SER A 29 -0.352 7.659 -5.615 1.00 0.85 H new ATOM 0 HA SER A 29 2.400 8.138 -5.533 1.00 1.25 H new ATOM 0 HB2 SER A 29 0.102 9.424 -7.077 1.00 2.38 H new ATOM 0 HB3 SER A 29 1.781 9.815 -7.390 1.00 2.38 H new ATOM 0 HG SER A 29 0.649 7.177 -7.521 1.00 3.23 H new ATOM 157 N ASN A 30 2.762 10.645 -5.171 1.00 1.19 N ATOM 158 CA ASN A 30 3.221 11.875 -4.557 1.00 1.67 C ATOM 159 C ASN A 30 4.511 12.254 -5.263 1.00 1.19 C ATOM 160 O ASN A 30 4.784 11.696 -6.328 1.00 1.38 O ATOM 161 CB ASN A 30 3.451 11.709 -3.054 1.00 2.93 C ATOM 162 CG ASN A 30 3.397 13.028 -2.305 1.00 3.86 C ATOM 163 OD1 ASN A 30 4.408 13.713 -2.147 1.00 4.32 O ATOM 164 ND2 ASN A 30 2.212 13.393 -1.836 1.00 4.58 N ATOM 0 H ASN A 30 3.375 10.321 -5.919 1.00 1.19 H new ATOM 0 HA ASN A 30 2.467 12.656 -4.661 1.00 1.67 H new ATOM 0 HB2 ASN A 30 2.698 11.034 -2.648 1.00 2.93 H new ATOM 0 HB3 ASN A 30 4.421 11.241 -2.888 1.00 2.93 H new ATOM 0 HD21 ASN A 30 2.114 14.269 -1.323 1.00 4.58 H new ATOM 0 HD22 ASN A 30 1.398 12.797 -1.988 1.00 4.58 H new ATOM 171 N ASP A 31 5.251 13.223 -4.734 1.00 1.45 N ATOM 172 CA ASP A 31 6.570 13.576 -5.266 1.00 1.18 C ATOM 173 C ASP A 31 7.331 12.321 -5.706 1.00 0.94 C ATOM 174 O ASP A 31 7.388 11.325 -4.976 1.00 1.28 O ATOM 175 CB ASP A 31 7.383 14.323 -4.207 1.00 1.61 C ATOM 176 CG ASP A 31 8.679 14.884 -4.758 1.00 1.74 C ATOM 177 OD1 ASP A 31 9.583 14.097 -5.102 1.00 2.03 O ATOM 178 OD2 ASP A 31 8.803 16.124 -4.842 1.00 2.29 O ATOM 0 H ASP A 31 4.961 13.783 -3.932 1.00 1.45 H new ATOM 0 HA ASP A 31 6.426 14.221 -6.133 1.00 1.18 H new ATOM 0 HB2 ASP A 31 6.783 15.137 -3.800 1.00 1.61 H new ATOM 0 HB3 ASP A 31 7.606 13.647 -3.381 1.00 1.61 H new ATOM 183 N LYS A 32 7.911 12.381 -6.899 1.00 0.79 N ATOM 184 CA LYS A 32 8.493 11.207 -7.546 1.00 0.82 C ATOM 185 C LYS A 32 9.638 10.589 -6.745 1.00 0.66 C ATOM 186 O LYS A 32 9.988 9.430 -6.968 1.00 0.68 O ATOM 187 CB LYS A 32 8.959 11.553 -8.963 1.00 1.24 C ATOM 188 CG LYS A 32 9.871 12.765 -9.039 1.00 1.77 C ATOM 189 CD LYS A 32 10.206 13.112 -10.481 1.00 2.22 C ATOM 190 CE LYS A 32 10.930 14.445 -10.582 1.00 3.17 C ATOM 191 NZ LYS A 32 10.100 15.572 -10.075 1.00 3.77 N ATOM 0 H LYS A 32 7.992 13.239 -7.444 1.00 0.79 H new ATOM 0 HA LYS A 32 7.705 10.456 -7.596 1.00 0.82 H new ATOM 0 HB2 LYS A 32 9.481 10.693 -9.382 1.00 1.24 H new ATOM 0 HB3 LYS A 32 8.084 11.731 -9.588 1.00 1.24 H new ATOM 0 HG2 LYS A 32 9.389 13.617 -8.560 1.00 1.77 H new ATOM 0 HG3 LYS A 32 10.790 12.567 -8.487 1.00 1.77 H new ATOM 0 HD2 LYS A 32 10.828 12.326 -10.910 1.00 2.22 H new ATOM 0 HD3 LYS A 32 9.289 13.150 -11.069 1.00 2.22 H new ATOM 0 HE2 LYS A 32 11.860 14.396 -10.015 1.00 3.17 H new ATOM 0 HE3 LYS A 32 11.200 14.633 -11.621 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 10.462 16.469 -10.457 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 9.114 15.440 -10.377 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 10.144 15.596 -9.036 1.00 3.77 H new ATOM 205 N LYS A 33 10.211 11.341 -5.808 1.00 0.71 N ATOM 206 CA LYS A 33 11.256 10.795 -4.944 1.00 0.75 C ATOM 207 C LYS A 33 10.702 9.639 -4.125 1.00 0.68 C ATOM 208 O LYS A 33 11.373 8.623 -3.922 1.00 0.78 O ATOM 209 CB LYS A 33 11.810 11.868 -4.007 1.00 0.95 C ATOM 210 CG LYS A 33 12.530 12.993 -4.724 1.00 1.45 C ATOM 211 CD LYS A 33 12.939 14.088 -3.756 1.00 1.86 C ATOM 212 CE LYS A 33 13.574 15.257 -4.483 1.00 2.71 C ATOM 213 NZ LYS A 33 13.827 16.406 -3.576 1.00 3.23 N ATOM 0 H LYS A 33 9.974 12.317 -5.628 1.00 0.71 H new ATOM 0 HA LYS A 33 12.067 10.438 -5.578 1.00 0.75 H new ATOM 0 HB2 LYS A 33 10.990 12.287 -3.424 1.00 0.95 H new ATOM 0 HB3 LYS A 33 12.497 11.401 -3.301 1.00 0.95 H new ATOM 0 HG2 LYS A 33 13.414 12.600 -5.227 1.00 1.45 H new ATOM 0 HG3 LYS A 33 11.882 13.409 -5.496 1.00 1.45 H new ATOM 0 HD2 LYS A 33 12.065 14.432 -3.203 1.00 1.86 H new ATOM 0 HD3 LYS A 33 13.641 13.687 -3.025 1.00 1.86 H new ATOM 0 HE2 LYS A 33 14.514 14.937 -4.933 1.00 2.71 H new ATOM 0 HE3 LYS A 33 12.923 15.575 -5.297 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 14.262 17.183 -4.113 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 12.928 16.729 -3.166 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 14.469 16.111 -2.813 1.00 3.23 H new ATOM 227 N LEU A 34 9.463 9.802 -3.675 1.00 0.61 N ATOM 228 CA LEU A 34 8.778 8.785 -2.897 1.00 0.64 C ATOM 229 C LEU A 34 8.491 7.562 -3.760 1.00 0.53 C ATOM 230 O LEU A 34 8.799 6.432 -3.380 1.00 0.62 O ATOM 231 CB LEU A 34 7.463 9.342 -2.351 1.00 0.70 C ATOM 232 CG LEU A 34 6.620 8.350 -1.553 1.00 0.82 C ATOM 233 CD1 LEU A 34 7.255 8.069 -0.204 1.00 1.39 C ATOM 234 CD2 LEU A 34 5.207 8.872 -1.379 1.00 1.38 C ATOM 0 H LEU A 34 8.909 10.642 -3.841 1.00 0.61 H new ATOM 0 HA LEU A 34 9.421 8.493 -2.067 1.00 0.64 H new ATOM 0 HB2 LEU A 34 7.686 10.199 -1.716 1.00 0.70 H new ATOM 0 HB3 LEU A 34 6.868 9.711 -3.187 1.00 0.70 H new ATOM 0 HG LEU A 34 6.575 7.414 -2.110 1.00 0.82 H new ATOM 0 HD11 LEU A 34 6.638 7.360 0.348 1.00 1.39 H new ATOM 0 HD12 LEU A 34 8.249 7.647 -0.351 1.00 1.39 H new ATOM 0 HD13 LEU A 34 7.334 8.998 0.361 1.00 1.39 H new ATOM 0 HD21 LEU A 34 4.621 8.152 -0.808 1.00 1.38 H new ATOM 0 HD22 LEU A 34 5.233 9.822 -0.846 1.00 1.38 H new ATOM 0 HD23 LEU A 34 4.750 9.017 -2.358 1.00 1.38 H new ATOM 246 N ILE A 35 7.914 7.816 -4.933 1.00 0.43 N ATOM 247 CA ILE A 35 7.509 6.758 -5.855 1.00 0.43 C ATOM 248 C ILE A 35 8.687 5.857 -6.215 1.00 0.46 C ATOM 249 O ILE A 35 8.603 4.632 -6.107 1.00 0.52 O ATOM 250 CB ILE A 35 6.909 7.351 -7.152 1.00 0.47 C ATOM 251 CG1 ILE A 35 5.717 8.259 -6.824 1.00 0.57 C ATOM 252 CG2 ILE A 35 6.487 6.242 -8.107 1.00 0.61 C ATOM 253 CD1 ILE A 35 5.103 8.919 -8.041 1.00 0.97 C ATOM 0 H ILE A 35 7.715 8.758 -5.270 1.00 0.43 H new ATOM 0 HA ILE A 35 6.750 6.164 -5.346 1.00 0.43 H new ATOM 0 HB ILE A 35 7.677 7.950 -7.642 1.00 0.47 H new ATOM 0 HG12 ILE A 35 4.953 7.671 -6.316 1.00 0.57 H new ATOM 0 HG13 ILE A 35 6.041 9.032 -6.127 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.068 6.681 -9.012 1.00 0.61 H new ATOM 0 HG22 ILE A 35 7.355 5.635 -8.366 1.00 0.61 H new ATOM 0 HG23 ILE A 35 5.736 5.615 -7.627 1.00 0.61 H new ATOM 0 HD11 ILE A 35 4.266 9.545 -7.732 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.853 9.534 -8.538 1.00 0.97 H new ATOM 0 HD13 ILE A 35 4.747 8.153 -8.730 1.00 0.97 H new ATOM 265 N GLU A 36 9.784 6.477 -6.627 1.00 0.51 N ATOM 266 CA GLU A 36 10.984 5.747 -7.011 1.00 0.62 C ATOM 267 C GLU A 36 11.532 4.934 -5.846 1.00 0.63 C ATOM 268 O GLU A 36 11.748 3.731 -5.974 1.00 0.64 O ATOM 269 CB GLU A 36 12.053 6.718 -7.513 1.00 0.79 C ATOM 270 CG GLU A 36 11.685 7.421 -8.808 1.00 0.87 C ATOM 271 CD GLU A 36 11.579 6.464 -9.975 1.00 1.64 C ATOM 272 OE1 GLU A 36 12.627 5.954 -10.426 1.00 2.22 O ATOM 273 OE2 GLU A 36 10.450 6.215 -10.448 1.00 2.42 O ATOM 0 H GLU A 36 9.868 7.491 -6.704 1.00 0.51 H new ATOM 0 HA GLU A 36 10.715 5.058 -7.812 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.239 7.468 -6.744 1.00 0.79 H new ATOM 0 HB3 GLU A 36 12.986 6.173 -7.659 1.00 0.79 H new ATOM 0 HG2 GLU A 36 10.735 7.939 -8.679 1.00 0.87 H new ATOM 0 HG3 GLU A 36 12.434 8.180 -9.031 1.00 0.87 H new ATOM 280 N GLU A 37 11.729 5.588 -4.706 1.00 0.68 N ATOM 281 CA GLU A 37 12.400 4.961 -3.574 1.00 0.77 C ATOM 282 C GLU A 37 11.583 3.797 -3.017 1.00 0.71 C ATOM 283 O GLU A 37 12.139 2.762 -2.655 1.00 0.79 O ATOM 284 CB GLU A 37 12.675 5.995 -2.479 1.00 0.91 C ATOM 285 CG GLU A 37 13.723 5.550 -1.471 1.00 1.41 C ATOM 286 CD GLU A 37 15.039 5.182 -2.128 1.00 1.84 C ATOM 287 OE1 GLU A 37 15.623 6.043 -2.824 1.00 2.30 O ATOM 288 OE2 GLU A 37 15.499 4.033 -1.951 1.00 2.53 O ATOM 0 H GLU A 37 11.434 6.551 -4.542 1.00 0.68 H new ATOM 0 HA GLU A 37 13.350 4.561 -3.927 1.00 0.77 H new ATOM 0 HB2 GLU A 37 13.002 6.925 -2.943 1.00 0.91 H new ATOM 0 HB3 GLU A 37 11.745 6.211 -1.953 1.00 0.91 H new ATOM 0 HG2 GLU A 37 13.892 6.350 -0.750 1.00 1.41 H new ATOM 0 HG3 GLU A 37 13.346 4.692 -0.914 1.00 1.41 H new ATOM 295 N ALA A 38 10.265 3.961 -2.970 1.00 0.61 N ATOM 296 CA ALA A 38 9.385 2.909 -2.471 1.00 0.60 C ATOM 297 C ALA A 38 9.481 1.666 -3.348 1.00 0.54 C ATOM 298 O ALA A 38 9.512 0.538 -2.853 1.00 0.59 O ATOM 299 CB ALA A 38 7.949 3.405 -2.406 1.00 0.60 C ATOM 0 H ALA A 38 9.784 4.809 -3.270 1.00 0.61 H new ATOM 0 HA ALA A 38 9.706 2.642 -1.464 1.00 0.60 H new ATOM 0 HB1 ALA A 38 7.306 2.609 -2.032 1.00 0.60 H new ATOM 0 HB2 ALA A 38 7.890 4.263 -1.737 1.00 0.60 H new ATOM 0 HB3 ALA A 38 7.620 3.699 -3.403 1.00 0.60 H new ATOM 305 N ARG A 39 9.550 1.885 -4.655 1.00 0.49 N ATOM 306 CA ARG A 39 9.638 0.797 -5.620 1.00 0.53 C ATOM 307 C ARG A 39 10.985 0.081 -5.501 1.00 0.56 C ATOM 308 O ARG A 39 11.079 -1.132 -5.707 1.00 0.59 O ATOM 309 CB ARG A 39 9.451 1.353 -7.032 1.00 0.60 C ATOM 310 CG ARG A 39 9.258 0.291 -8.100 1.00 0.88 C ATOM 311 CD ARG A 39 9.273 0.910 -9.487 1.00 0.95 C ATOM 312 NE ARG A 39 10.562 1.541 -9.772 1.00 1.37 N ATOM 313 CZ ARG A 39 10.722 2.827 -10.086 1.00 1.97 C ATOM 314 NH1 ARG A 39 9.670 3.626 -10.230 1.00 2.23 N ATOM 315 NH2 ARG A 39 11.943 3.310 -10.273 1.00 2.73 N ATOM 0 H ARG A 39 9.547 2.815 -5.074 1.00 0.49 H new ATOM 0 HA ARG A 39 8.851 0.072 -5.413 1.00 0.53 H new ATOM 0 HB2 ARG A 39 8.587 2.018 -7.037 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.320 1.958 -7.290 1.00 0.60 H new ATOM 0 HG2 ARG A 39 10.047 -0.457 -8.022 1.00 0.88 H new ATOM 0 HG3 ARG A 39 8.312 -0.226 -7.938 1.00 0.88 H new ATOM 0 HD2 ARG A 39 9.069 0.142 -10.233 1.00 0.95 H new ATOM 0 HD3 ARG A 39 8.477 1.651 -9.566 1.00 0.95 H new ATOM 0 HE ARG A 39 11.397 0.956 -9.727 1.00 1.37 H new ATOM 0 HH11 ARG A 39 8.728 3.257 -10.100 1.00 2.23 H new ATOM 0 HH12 ARG A 39 9.805 4.608 -10.470 1.00 2.23 H new ATOM 0 HH21 ARG A 39 12.754 2.699 -10.176 1.00 2.73 H new ATOM 0 HH22 ARG A 39 12.071 4.293 -10.513 1.00 2.73 H new ATOM 329 N LYS A 40 12.022 0.840 -5.151 1.00 0.59 N ATOM 330 CA LYS A 40 13.360 0.284 -4.962 1.00 0.67 C ATOM 331 C LYS A 40 13.368 -0.716 -3.808 1.00 0.65 C ATOM 332 O LYS A 40 14.071 -1.728 -3.847 1.00 0.71 O ATOM 333 CB LYS A 40 14.372 1.393 -4.660 1.00 0.78 C ATOM 334 CG LYS A 40 14.441 2.495 -5.704 1.00 0.83 C ATOM 335 CD LYS A 40 15.408 3.582 -5.265 1.00 1.29 C ATOM 336 CE LYS A 40 15.254 4.853 -6.081 1.00 1.82 C ATOM 337 NZ LYS A 40 16.063 5.968 -5.517 1.00 2.52 N ATOM 0 H LYS A 40 11.960 1.846 -4.992 1.00 0.59 H new ATOM 0 HA LYS A 40 13.640 -0.221 -5.886 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.124 1.839 -3.697 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.361 0.945 -4.559 1.00 0.78 H new ATOM 0 HG2 LYS A 40 14.761 2.080 -6.660 1.00 0.83 H new ATOM 0 HG3 LYS A 40 13.450 2.922 -5.857 1.00 0.83 H new ATOM 0 HD2 LYS A 40 15.244 3.807 -4.211 1.00 1.29 H new ATOM 0 HD3 LYS A 40 16.430 3.215 -5.357 1.00 1.29 H new ATOM 0 HE2 LYS A 40 15.560 4.665 -7.110 1.00 1.82 H new ATOM 0 HE3 LYS A 40 14.204 5.143 -6.109 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 16.001 6.794 -6.145 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 15.698 6.220 -4.576 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 17.056 5.669 -5.435 1.00 2.52 H new ATOM 351 N MET A 41 12.576 -0.424 -2.782 1.00 0.64 N ATOM 352 CA MET A 41 12.511 -1.268 -1.594 1.00 0.68 C ATOM 353 C MET A 41 11.781 -2.565 -1.900 1.00 0.63 C ATOM 354 O MET A 41 12.056 -3.596 -1.294 1.00 0.67 O ATOM 355 CB MET A 41 11.804 -0.538 -0.452 1.00 0.82 C ATOM 356 CG MET A 41 12.360 0.846 -0.187 1.00 0.99 C ATOM 357 SD MET A 41 11.567 1.669 1.204 1.00 1.64 S ATOM 358 CE MET A 41 12.159 3.337 0.948 1.00 2.61 C ATOM 0 H MET A 41 11.968 0.394 -2.749 1.00 0.64 H new ATOM 0 HA MET A 41 13.532 -1.498 -1.289 1.00 0.68 H new ATOM 0 HB2 MET A 41 10.742 -0.456 -0.685 1.00 0.82 H new ATOM 0 HB3 MET A 41 11.886 -1.135 0.457 1.00 0.82 H new ATOM 0 HG2 MET A 41 13.430 0.771 0.005 1.00 0.99 H new ATOM 0 HG3 MET A 41 12.239 1.458 -1.081 1.00 0.99 H new ATOM 0 HE1 MET A 41 11.502 4.039 1.462 1.00 2.61 H new ATOM 0 HE2 MET A 41 13.170 3.429 1.345 1.00 2.61 H new ATOM 0 HE3 MET A 41 12.166 3.561 -0.119 1.00 2.61 H new ATOM 368 N ALA A 42 10.862 -2.501 -2.852 1.00 0.60 N ATOM 369 CA ALA A 42 10.064 -3.655 -3.238 1.00 0.64 C ATOM 370 C ALA A 42 10.945 -4.815 -3.681 1.00 0.61 C ATOM 371 O ALA A 42 10.822 -5.929 -3.170 1.00 0.66 O ATOM 372 CB ALA A 42 9.104 -3.272 -4.346 1.00 0.75 C ATOM 0 H ALA A 42 10.649 -1.652 -3.376 1.00 0.60 H new ATOM 0 HA ALA A 42 9.496 -3.982 -2.367 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.510 -4.141 -4.629 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.443 -2.479 -3.997 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.667 -2.920 -5.210 1.00 0.75 H new ATOM 378 N GLU A 43 11.850 -4.543 -4.613 1.00 0.62 N ATOM 379 CA GLU A 43 12.736 -5.575 -5.138 1.00 0.75 C ATOM 380 C GLU A 43 13.771 -5.997 -4.094 1.00 0.71 C ATOM 381 O GLU A 43 14.333 -7.088 -4.167 1.00 0.79 O ATOM 382 CB GLU A 43 13.428 -5.086 -6.413 1.00 0.93 C ATOM 383 CG GLU A 43 14.222 -3.802 -6.232 1.00 1.33 C ATOM 384 CD GLU A 43 14.849 -3.323 -7.521 1.00 1.88 C ATOM 385 OE1 GLU A 43 15.968 -3.766 -7.841 1.00 2.39 O ATOM 386 OE2 GLU A 43 14.222 -2.504 -8.224 1.00 2.57 O ATOM 0 H GLU A 43 11.990 -3.618 -5.020 1.00 0.62 H new ATOM 0 HA GLU A 43 12.131 -6.448 -5.382 1.00 0.75 H new ATOM 0 HB2 GLU A 43 14.097 -5.867 -6.773 1.00 0.93 H new ATOM 0 HB3 GLU A 43 12.675 -4.930 -7.186 1.00 0.93 H new ATOM 0 HG2 GLU A 43 13.566 -3.025 -5.840 1.00 1.33 H new ATOM 0 HG3 GLU A 43 15.004 -3.963 -5.490 1.00 1.33 H new ATOM 393 N LYS A 44 14.006 -5.130 -3.117 1.00 0.68 N ATOM 394 CA LYS A 44 14.960 -5.415 -2.052 1.00 0.77 C ATOM 395 C LYS A 44 14.342 -6.330 -0.996 1.00 0.69 C ATOM 396 O LYS A 44 14.966 -7.293 -0.546 1.00 0.80 O ATOM 397 CB LYS A 44 15.426 -4.107 -1.402 1.00 0.92 C ATOM 398 CG LYS A 44 16.332 -4.307 -0.196 1.00 1.42 C ATOM 399 CD LYS A 44 16.784 -2.980 0.395 1.00 1.99 C ATOM 400 CE LYS A 44 17.751 -2.250 -0.527 1.00 2.49 C ATOM 401 NZ LYS A 44 18.999 -3.027 -0.756 1.00 2.98 N ATOM 0 H LYS A 44 13.548 -4.222 -3.040 1.00 0.68 H new ATOM 0 HA LYS A 44 15.818 -5.926 -2.489 1.00 0.77 H new ATOM 0 HB2 LYS A 44 15.954 -3.511 -2.146 1.00 0.92 H new ATOM 0 HB3 LYS A 44 14.551 -3.533 -1.096 1.00 0.92 H new ATOM 0 HG2 LYS A 44 15.804 -4.883 0.564 1.00 1.42 H new ATOM 0 HG3 LYS A 44 17.205 -4.891 -0.489 1.00 1.42 H new ATOM 0 HD2 LYS A 44 15.914 -2.350 0.581 1.00 1.99 H new ATOM 0 HD3 LYS A 44 17.263 -3.156 1.358 1.00 1.99 H new ATOM 0 HE2 LYS A 44 17.264 -2.057 -1.483 1.00 2.49 H new ATOM 0 HE3 LYS A 44 18.002 -1.281 -0.095 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 19.729 -2.402 -1.152 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 19.333 -3.421 0.147 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 18.808 -3.802 -1.423 1.00 2.98 H new ATOM 415 N ALA A 45 13.109 -6.028 -0.617 1.00 0.61 N ATOM 416 CA ALA A 45 12.421 -6.772 0.431 1.00 0.64 C ATOM 417 C ALA A 45 11.642 -7.951 -0.139 1.00 0.60 C ATOM 418 O ALA A 45 10.916 -8.635 0.584 1.00 0.71 O ATOM 419 CB ALA A 45 11.493 -5.847 1.199 1.00 0.76 C ATOM 0 H ALA A 45 12.561 -5.269 -1.021 1.00 0.61 H new ATOM 0 HA ALA A 45 13.174 -7.172 1.111 1.00 0.64 H new ATOM 0 HB1 ALA A 45 10.983 -6.410 1.980 1.00 0.76 H new ATOM 0 HB2 ALA A 45 12.073 -5.043 1.652 1.00 0.76 H new ATOM 0 HB3 ALA A 45 10.756 -5.423 0.517 1.00 0.76 H new ATOM 425 N ASN A 46 11.798 -8.168 -1.444 1.00 0.56 N ATOM 426 CA ASN A 46 11.153 -9.276 -2.150 1.00 0.65 C ATOM 427 C ASN A 46 9.635 -9.199 -2.054 1.00 0.62 C ATOM 428 O ASN A 46 8.959 -10.221 -1.928 1.00 0.80 O ATOM 429 CB ASN A 46 11.643 -10.634 -1.626 1.00 0.83 C ATOM 430 CG ASN A 46 13.093 -10.924 -1.978 1.00 1.46 C ATOM 431 OD1 ASN A 46 13.547 -10.429 -3.121 1.00 2.11 O flip ATOM 432 ND2 ASN A 46 13.797 -11.610 -1.234 1.00 2.22 N flip ATOM 0 H ASN A 46 12.376 -7.580 -2.044 1.00 0.56 H new ATOM 0 HA ASN A 46 11.434 -9.185 -3.199 1.00 0.65 H new ATOM 0 HB2 ASN A 46 11.526 -10.662 -0.543 1.00 0.83 H new ATOM 0 HB3 ASN A 46 11.012 -11.423 -2.035 1.00 0.83 H new ATOM 0 HD21 ASN A 46 13.413 -11.974 -0.362 1.00 2.22 H new ATOM 0 HD22 ASN A 46 14.763 -11.813 -1.491 1.00 2.22 H new ATOM 439 N LEU A 47 9.102 -7.989 -2.126 1.00 0.48 N ATOM 440 CA LEU A 47 7.664 -7.794 -2.077 1.00 0.48 C ATOM 441 C LEU A 47 7.171 -7.176 -3.373 1.00 0.45 C ATOM 442 O LEU A 47 7.923 -6.494 -4.070 1.00 0.53 O ATOM 443 CB LEU A 47 7.263 -6.939 -0.863 1.00 0.51 C ATOM 444 CG LEU A 47 7.938 -5.573 -0.724 1.00 0.58 C ATOM 445 CD1 LEU A 47 7.229 -4.521 -1.564 1.00 1.10 C ATOM 446 CD2 LEU A 47 7.961 -5.156 0.734 1.00 1.11 C ATOM 0 H LEU A 47 9.644 -7.130 -2.218 1.00 0.48 H new ATOM 0 HA LEU A 47 7.188 -8.768 -1.962 1.00 0.48 H new ATOM 0 HB2 LEU A 47 6.185 -6.782 -0.900 1.00 0.51 H new ATOM 0 HB3 LEU A 47 7.471 -7.513 0.040 1.00 0.51 H new ATOM 0 HG LEU A 47 8.961 -5.657 -1.089 1.00 0.58 H new ATOM 0 HD11 LEU A 47 7.731 -3.561 -1.445 1.00 1.10 H new ATOM 0 HD12 LEU A 47 7.254 -4.816 -2.613 1.00 1.10 H new ATOM 0 HD13 LEU A 47 6.193 -4.432 -1.237 1.00 1.10 H new ATOM 0 HD21 LEU A 47 8.443 -4.183 0.826 1.00 1.11 H new ATOM 0 HD22 LEU A 47 6.940 -5.093 1.110 1.00 1.11 H new ATOM 0 HD23 LEU A 47 8.517 -5.893 1.314 1.00 1.11 H new ATOM 458 N GLU A 48 5.915 -7.422 -3.693 1.00 0.43 N ATOM 459 CA GLU A 48 5.336 -6.939 -4.930 1.00 0.47 C ATOM 460 C GLU A 48 4.669 -5.594 -4.695 1.00 0.45 C ATOM 461 O GLU A 48 3.605 -5.516 -4.078 1.00 0.49 O ATOM 462 CB GLU A 48 4.329 -7.956 -5.466 1.00 0.58 C ATOM 463 CG GLU A 48 3.758 -7.589 -6.822 1.00 0.80 C ATOM 464 CD GLU A 48 2.885 -8.682 -7.393 1.00 1.27 C ATOM 465 OE1 GLU A 48 1.648 -8.520 -7.408 1.00 2.13 O ATOM 466 OE2 GLU A 48 3.432 -9.714 -7.828 1.00 1.74 O ATOM 0 H GLU A 48 5.273 -7.957 -3.108 1.00 0.43 H new ATOM 0 HA GLU A 48 6.124 -6.811 -5.672 1.00 0.47 H new ATOM 0 HB2 GLU A 48 4.812 -8.931 -5.536 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.512 -8.056 -4.752 1.00 0.58 H new ATOM 0 HG2 GLU A 48 3.176 -6.672 -6.732 1.00 0.80 H new ATOM 0 HG3 GLU A 48 4.575 -7.381 -7.513 1.00 0.80 H new ATOM 473 N LEU A 49 5.304 -4.537 -5.166 1.00 0.46 N ATOM 474 CA LEU A 49 4.800 -3.195 -4.940 1.00 0.50 C ATOM 475 C LEU A 49 4.268 -2.593 -6.233 1.00 0.45 C ATOM 476 O LEU A 49 4.899 -2.688 -7.287 1.00 0.54 O ATOM 477 CB LEU A 49 5.901 -2.315 -4.334 1.00 0.67 C ATOM 478 CG LEU A 49 5.448 -0.964 -3.769 1.00 0.75 C ATOM 479 CD1 LEU A 49 6.355 -0.539 -2.628 1.00 1.49 C ATOM 480 CD2 LEU A 49 5.450 0.105 -4.849 1.00 0.99 C ATOM 0 H LEU A 49 6.168 -4.581 -5.706 1.00 0.46 H new ATOM 0 HA LEU A 49 3.972 -3.246 -4.233 1.00 0.50 H new ATOM 0 HB2 LEU A 49 6.388 -2.875 -3.536 1.00 0.67 H new ATOM 0 HB3 LEU A 49 6.654 -2.132 -5.100 1.00 0.67 H new ATOM 0 HG LEU A 49 4.430 -1.080 -3.396 1.00 0.75 H new ATOM 0 HD11 LEU A 49 6.021 0.422 -2.237 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.317 -1.286 -1.836 1.00 1.49 H new ATOM 0 HD13 LEU A 49 7.378 -0.447 -2.992 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.125 1.054 -4.422 1.00 0.99 H new ATOM 0 HD22 LEU A 49 6.457 0.214 -5.251 1.00 0.99 H new ATOM 0 HD23 LEU A 49 4.769 -0.185 -5.649 1.00 0.99 H new ATOM 492 N ILE A 50 3.094 -1.991 -6.141 1.00 0.39 N ATOM 493 CA ILE A 50 2.463 -1.347 -7.278 1.00 0.43 C ATOM 494 C ILE A 50 2.332 0.147 -7.012 1.00 0.40 C ATOM 495 O ILE A 50 1.809 0.559 -5.974 1.00 0.37 O ATOM 496 CB ILE A 50 1.059 -1.934 -7.583 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.138 -3.424 -7.952 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.384 -1.154 -8.704 1.00 0.62 C ATOM 499 CD1 ILE A 50 1.280 -4.355 -6.764 1.00 1.31 C ATOM 0 H ILE A 50 2.554 -1.936 -5.278 1.00 0.39 H new ATOM 0 HA ILE A 50 3.097 -1.528 -8.146 1.00 0.43 H new ATOM 0 HB ILE A 50 0.462 -1.842 -6.676 1.00 0.50 H new ATOM 0 HG12 ILE A 50 0.240 -3.697 -8.507 1.00 0.60 H new ATOM 0 HG13 ILE A 50 1.985 -3.576 -8.621 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.599 -1.581 -8.903 1.00 0.62 H new ATOM 0 HG22 ILE A 50 0.274 -0.111 -8.406 1.00 0.62 H new ATOM 0 HG23 ILE A 50 0.994 -1.211 -9.606 1.00 0.62 H new ATOM 0 HD11 ILE A 50 1.328 -5.386 -7.114 1.00 1.31 H new ATOM 0 HD12 ILE A 50 2.193 -4.113 -6.219 1.00 1.31 H new ATOM 0 HD13 ILE A 50 0.421 -4.236 -6.104 1.00 1.31 H new ATOM 511 N THR A 51 2.828 0.952 -7.935 1.00 0.48 N ATOM 512 CA THR A 51 2.753 2.395 -7.808 1.00 0.52 C ATOM 513 C THR A 51 1.439 2.925 -8.381 1.00 0.56 C ATOM 514 O THR A 51 1.239 2.951 -9.597 1.00 0.66 O ATOM 515 CB THR A 51 3.952 3.058 -8.510 1.00 0.63 C ATOM 516 OG1 THR A 51 4.145 2.471 -9.805 1.00 1.19 O ATOM 517 CG2 THR A 51 5.219 2.887 -7.682 1.00 1.20 C ATOM 0 H THR A 51 3.289 0.628 -8.785 1.00 0.48 H new ATOM 0 HA THR A 51 2.787 2.646 -6.748 1.00 0.52 H new ATOM 0 HB THR A 51 3.742 4.122 -8.619 1.00 0.63 H new ATOM 0 HG1 THR A 51 3.285 2.418 -10.272 1.00 1.19 H new ATOM 0 HG21 THR A 51 6.055 3.362 -8.195 1.00 1.20 H new ATOM 0 HG22 THR A 51 5.081 3.351 -6.705 1.00 1.20 H new ATOM 0 HG23 THR A 51 5.429 1.825 -7.553 1.00 1.20 H new ATOM 525 N VAL A 52 0.543 3.335 -7.493 1.00 0.68 N ATOM 526 CA VAL A 52 -0.787 3.781 -7.881 1.00 0.78 C ATOM 527 C VAL A 52 -0.905 5.299 -7.814 1.00 0.85 C ATOM 528 O VAL A 52 -0.268 5.933 -6.975 1.00 1.66 O ATOM 529 CB VAL A 52 -1.865 3.161 -6.958 1.00 1.35 C ATOM 530 CG1 VAL A 52 -3.225 3.817 -7.180 1.00 1.77 C ATOM 531 CG2 VAL A 52 -1.952 1.659 -7.179 1.00 1.95 C ATOM 0 H VAL A 52 0.717 3.368 -6.488 1.00 0.68 H new ATOM 0 HA VAL A 52 -0.946 3.453 -8.908 1.00 0.78 H new ATOM 0 HB VAL A 52 -1.571 3.345 -5.925 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -3.961 3.361 -6.518 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -3.154 4.883 -6.964 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -3.532 3.676 -8.216 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -2.714 1.238 -6.523 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -2.216 1.459 -8.217 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -0.988 1.202 -6.955 1.00 1.95 H new ATOM 541 N PRO A 53 -1.687 5.892 -8.737 1.00 0.73 N ATOM 542 CA PRO A 53 -2.159 7.274 -8.661 1.00 0.90 C ATOM 543 C PRO A 53 -2.517 7.766 -7.273 1.00 0.88 C ATOM 544 O PRO A 53 -2.731 7.006 -6.327 1.00 1.64 O ATOM 545 CB PRO A 53 -3.403 7.219 -9.523 1.00 1.83 C ATOM 546 CG PRO A 53 -2.941 6.393 -10.642 1.00 2.29 C ATOM 547 CD PRO A 53 -2.156 5.272 -9.998 1.00 1.49 C ATOM 0 HA PRO A 53 -1.380 7.970 -8.973 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -4.246 6.768 -9.000 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -3.722 8.209 -9.848 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -3.780 6.006 -11.221 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -2.319 6.968 -11.328 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -2.777 4.396 -9.813 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -1.325 4.947 -10.624 1.00 1.49 H new ATOM 555 N GLY A 54 -2.591 9.069 -7.202 1.00 1.49 N ATOM 556 CA GLY A 54 -2.832 9.782 -5.976 1.00 2.14 C ATOM 557 C GLY A 54 -4.232 9.599 -5.401 1.00 1.80 C ATOM 558 O GLY A 54 -4.632 10.329 -4.489 1.00 2.08 O ATOM 0 H GLY A 54 -2.483 9.677 -8.013 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -2.103 9.458 -5.233 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -2.660 10.844 -6.149 1.00 2.14 H new ATOM 562 N SER A 55 -4.975 8.635 -5.923 1.00 1.36 N ATOM 563 CA SER A 55 -6.313 8.353 -5.439 1.00 0.97 C ATOM 564 C SER A 55 -6.353 7.010 -4.702 1.00 0.64 C ATOM 565 O SER A 55 -6.060 5.960 -5.279 1.00 0.50 O ATOM 566 CB SER A 55 -7.292 8.358 -6.616 1.00 1.19 C ATOM 567 OG SER A 55 -6.703 7.780 -7.774 1.00 1.75 O ATOM 0 H SER A 55 -4.669 8.032 -6.687 1.00 1.36 H new ATOM 0 HA SER A 55 -6.606 9.127 -4.730 1.00 0.97 H new ATOM 0 HB2 SER A 55 -8.192 7.805 -6.347 1.00 1.19 H new ATOM 0 HB3 SER A 55 -7.600 9.381 -6.833 1.00 1.19 H new ATOM 0 HG SER A 55 -7.349 7.794 -8.511 1.00 1.75 H new ATOM 573 N PRO A 56 -6.707 7.037 -3.401 1.00 0.66 N ATOM 574 CA PRO A 56 -6.840 5.825 -2.583 1.00 0.58 C ATOM 575 C PRO A 56 -7.918 4.891 -3.118 1.00 0.53 C ATOM 576 O PRO A 56 -7.858 3.679 -2.909 1.00 0.62 O ATOM 577 CB PRO A 56 -7.224 6.355 -1.198 1.00 0.70 C ATOM 578 CG PRO A 56 -6.808 7.785 -1.205 1.00 1.09 C ATOM 579 CD PRO A 56 -6.977 8.253 -2.620 1.00 0.87 C ATOM 0 HA PRO A 56 -5.923 5.235 -2.579 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -8.295 6.256 -1.020 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -6.717 5.800 -0.408 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -7.421 8.374 -0.523 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -5.774 7.893 -0.878 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -7.981 8.636 -2.802 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -6.281 9.055 -2.867 1.00 0.87 H new ATOM 587 N GLU A 57 -8.904 5.475 -3.794 1.00 0.62 N ATOM 588 CA GLU A 57 -9.918 4.712 -4.516 1.00 0.80 C ATOM 589 C GLU A 57 -9.264 3.662 -5.408 1.00 0.67 C ATOM 590 O GLU A 57 -9.563 2.476 -5.306 1.00 0.67 O ATOM 591 CB GLU A 57 -10.767 5.666 -5.365 1.00 1.14 C ATOM 592 CG GLU A 57 -11.679 4.985 -6.377 1.00 1.80 C ATOM 593 CD GLU A 57 -12.760 4.145 -5.738 1.00 1.95 C ATOM 594 OE1 GLU A 57 -13.705 4.724 -5.159 1.00 2.06 O ATOM 595 OE2 GLU A 57 -12.692 2.903 -5.841 1.00 2.70 O ATOM 0 H GLU A 57 -9.022 6.486 -3.857 1.00 0.62 H new ATOM 0 HA GLU A 57 -10.556 4.201 -3.795 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -11.378 6.275 -4.699 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -10.101 6.345 -5.897 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -12.143 5.745 -7.006 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -11.077 4.354 -7.031 1.00 1.80 H new ATOM 602 N GLU A 58 -8.350 4.107 -6.260 1.00 0.61 N ATOM 603 CA GLU A 58 -7.671 3.217 -7.191 1.00 0.56 C ATOM 604 C GLU A 58 -6.789 2.226 -6.434 1.00 0.50 C ATOM 605 O GLU A 58 -6.798 1.026 -6.712 1.00 0.54 O ATOM 606 CB GLU A 58 -6.815 4.038 -8.164 1.00 0.62 C ATOM 607 CG GLU A 58 -6.228 3.228 -9.312 1.00 1.18 C ATOM 608 CD GLU A 58 -7.190 3.053 -10.470 1.00 1.57 C ATOM 609 OE1 GLU A 58 -6.822 3.413 -11.608 1.00 2.30 O ATOM 610 OE2 GLU A 58 -8.320 2.567 -10.254 1.00 2.01 O ATOM 0 H GLU A 58 -8.061 5.083 -6.325 1.00 0.61 H new ATOM 0 HA GLU A 58 -8.421 2.659 -7.752 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -7.423 4.843 -8.576 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -6.001 4.505 -7.610 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -5.323 3.720 -9.670 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -5.932 2.246 -8.942 1.00 1.18 H new ATOM 617 N ALA A 59 -6.059 2.740 -5.451 1.00 0.52 N ATOM 618 CA ALA A 59 -5.062 1.956 -4.728 1.00 0.59 C ATOM 619 C ALA A 59 -5.677 0.827 -3.906 1.00 0.50 C ATOM 620 O ALA A 59 -5.392 -0.345 -4.143 1.00 0.50 O ATOM 621 CB ALA A 59 -4.240 2.864 -3.828 1.00 0.78 C ATOM 0 H ALA A 59 -6.140 3.706 -5.133 1.00 0.52 H new ATOM 0 HA ALA A 59 -4.420 1.491 -5.476 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -3.499 2.271 -3.292 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -3.734 3.616 -4.434 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -4.897 3.357 -3.111 1.00 0.78 H new ATOM 627 N ILE A 60 -6.528 1.177 -2.951 1.00 0.51 N ATOM 628 CA ILE A 60 -7.029 0.204 -1.986 1.00 0.52 C ATOM 629 C ILE A 60 -7.967 -0.801 -2.649 1.00 0.50 C ATOM 630 O ILE A 60 -8.027 -1.968 -2.258 1.00 0.52 O ATOM 631 CB ILE A 60 -7.757 0.895 -0.814 1.00 0.63 C ATOM 632 CG1 ILE A 60 -6.906 2.048 -0.274 1.00 0.79 C ATOM 633 CG2 ILE A 60 -8.055 -0.113 0.292 1.00 0.74 C ATOM 634 CD1 ILE A 60 -7.536 2.775 0.889 1.00 1.03 C ATOM 0 H ILE A 60 -6.886 2.124 -2.823 1.00 0.51 H new ATOM 0 HA ILE A 60 -6.162 -0.328 -1.594 1.00 0.52 H new ATOM 0 HB ILE A 60 -8.703 1.299 -1.175 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -5.936 1.658 0.035 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -6.722 2.760 -1.079 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -8.569 0.388 1.112 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -8.689 -0.908 -0.101 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -7.121 -0.540 0.656 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -6.876 3.578 1.217 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -8.493 3.196 0.580 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -7.695 2.077 1.711 1.00 1.03 H new ATOM 646 N ARG A 61 -8.681 -0.348 -3.667 1.00 0.51 N ATOM 647 CA ARG A 61 -9.597 -1.211 -4.396 1.00 0.57 C ATOM 648 C ARG A 61 -8.806 -2.264 -5.172 1.00 0.55 C ATOM 649 O ARG A 61 -9.177 -3.440 -5.207 1.00 0.67 O ATOM 650 CB ARG A 61 -10.446 -0.376 -5.349 1.00 0.63 C ATOM 651 CG ARG A 61 -11.714 -1.062 -5.825 1.00 0.68 C ATOM 652 CD ARG A 61 -12.366 -0.270 -6.943 1.00 0.85 C ATOM 653 NE ARG A 61 -11.527 -0.257 -8.140 1.00 1.75 N ATOM 654 CZ ARG A 61 -10.853 0.805 -8.575 1.00 2.33 C ATOM 655 NH1 ARG A 61 -10.963 1.975 -7.953 1.00 2.28 N ATOM 656 NH2 ARG A 61 -10.065 0.693 -9.636 1.00 3.35 N ATOM 0 H ARG A 61 -8.644 0.613 -4.007 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.257 -1.716 -3.691 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -10.716 0.556 -4.853 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -9.842 -0.112 -6.217 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -11.480 -2.068 -6.174 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -12.411 -1.167 -4.993 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -13.337 -0.704 -7.181 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -12.546 0.752 -6.611 1.00 0.85 H new ATOM 0 HE ARG A 61 -11.453 -1.120 -8.678 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -11.567 2.063 -7.136 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -10.443 2.784 -8.293 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -9.978 -0.204 -10.114 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -9.546 1.504 -9.974 1.00 3.35 H new ATOM 670 N LEU A 62 -7.701 -1.836 -5.775 1.00 0.47 N ATOM 671 CA LEU A 62 -6.818 -2.741 -6.501 1.00 0.50 C ATOM 672 C LEU A 62 -6.070 -3.640 -5.526 1.00 0.43 C ATOM 673 O LEU A 62 -5.747 -4.785 -5.842 1.00 0.45 O ATOM 674 CB LEU A 62 -5.831 -1.947 -7.364 1.00 0.59 C ATOM 675 CG LEU A 62 -4.919 -2.785 -8.265 1.00 0.69 C ATOM 676 CD1 LEU A 62 -5.738 -3.591 -9.262 1.00 1.22 C ATOM 677 CD2 LEU A 62 -3.924 -1.891 -8.992 1.00 1.03 C ATOM 0 H LEU A 62 -7.395 -0.863 -5.775 1.00 0.47 H new ATOM 0 HA LEU A 62 -7.422 -3.367 -7.158 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -6.397 -1.257 -7.990 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -5.206 -1.342 -6.707 1.00 0.59 H new ATOM 0 HG LEU A 62 -4.365 -3.482 -7.637 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -5.070 -4.178 -9.891 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -6.411 -4.259 -8.724 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -6.321 -2.914 -9.886 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -3.283 -2.502 -9.628 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -4.464 -1.170 -9.606 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -3.312 -1.360 -8.263 1.00 1.03 H new ATOM 689 N ALA A 63 -5.812 -3.116 -4.335 1.00 0.41 N ATOM 690 CA ALA A 63 -5.166 -3.880 -3.278 1.00 0.42 C ATOM 691 C ALA A 63 -5.983 -5.119 -2.930 1.00 0.46 C ATOM 692 O ALA A 63 -5.439 -6.213 -2.791 1.00 0.49 O ATOM 693 CB ALA A 63 -4.961 -3.008 -2.048 1.00 0.49 C ATOM 0 H ALA A 63 -6.043 -2.157 -4.076 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.191 -4.209 -3.636 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.477 -3.592 -1.265 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.332 -2.156 -2.307 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -5.927 -2.651 -1.690 1.00 0.49 H new ATOM 699 N GLN A 64 -7.294 -4.938 -2.806 1.00 0.52 N ATOM 700 CA GLN A 64 -8.200 -6.045 -2.520 1.00 0.64 C ATOM 701 C GLN A 64 -8.257 -7.015 -3.703 1.00 0.62 C ATOM 702 O GLN A 64 -8.325 -8.231 -3.522 1.00 0.69 O ATOM 703 CB GLN A 64 -9.597 -5.509 -2.202 1.00 0.77 C ATOM 704 CG GLN A 64 -10.616 -6.591 -1.885 1.00 1.11 C ATOM 705 CD GLN A 64 -11.995 -6.027 -1.616 1.00 1.39 C ATOM 706 OE1 GLN A 64 -12.350 -5.722 -0.478 1.00 1.95 O ATOM 707 NE2 GLN A 64 -12.787 -5.882 -2.666 1.00 2.12 N ATOM 0 H GLN A 64 -7.754 -4.032 -2.899 1.00 0.52 H new ATOM 0 HA GLN A 64 -7.824 -6.587 -1.652 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -9.529 -4.828 -1.354 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -9.953 -4.926 -3.051 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -10.669 -7.291 -2.719 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -10.282 -7.157 -1.015 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -12.457 -6.146 -3.594 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -13.728 -5.506 -2.547 1.00 2.12 H new ATOM 716 N GLU A 65 -8.215 -6.458 -4.911 1.00 0.58 N ATOM 717 CA GLU A 65 -8.220 -7.252 -6.137 1.00 0.63 C ATOM 718 C GLU A 65 -7.019 -8.191 -6.173 1.00 0.55 C ATOM 719 O GLU A 65 -7.171 -9.411 -6.263 1.00 0.62 O ATOM 720 CB GLU A 65 -8.197 -6.322 -7.355 1.00 0.69 C ATOM 721 CG GLU A 65 -8.161 -7.047 -8.691 1.00 1.24 C ATOM 722 CD GLU A 65 -9.408 -7.865 -8.946 1.00 1.50 C ATOM 723 OE1 GLU A 65 -10.375 -7.323 -9.523 1.00 2.21 O ATOM 724 OE2 GLU A 65 -9.435 -9.052 -8.578 1.00 1.95 O ATOM 0 H GLU A 65 -8.177 -5.451 -5.067 1.00 0.58 H new ATOM 0 HA GLU A 65 -9.128 -7.854 -6.161 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -9.078 -5.681 -7.326 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -7.326 -5.670 -7.284 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -8.040 -6.318 -9.492 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -7.290 -7.701 -8.721 1.00 1.24 H new ATOM 731 N ILE A 66 -5.828 -7.612 -6.074 1.00 0.46 N ATOM 732 CA ILE A 66 -4.591 -8.380 -6.131 1.00 0.46 C ATOM 733 C ILE A 66 -4.521 -9.381 -4.980 1.00 0.43 C ATOM 734 O ILE A 66 -4.011 -10.486 -5.139 1.00 0.48 O ATOM 735 CB ILE A 66 -3.355 -7.453 -6.081 1.00 0.54 C ATOM 736 CG1 ILE A 66 -3.416 -6.423 -7.212 1.00 0.66 C ATOM 737 CG2 ILE A 66 -2.071 -8.268 -6.178 1.00 0.64 C ATOM 738 CD1 ILE A 66 -2.326 -5.375 -7.139 1.00 0.53 C ATOM 0 H ILE A 66 -5.693 -6.608 -5.953 1.00 0.46 H new ATOM 0 HA ILE A 66 -4.587 -8.920 -7.078 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.359 -6.925 -5.127 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -3.346 -6.942 -8.168 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -4.387 -5.928 -7.189 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -1.212 -7.599 -6.141 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -2.021 -8.969 -5.345 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -2.061 -8.820 -7.118 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -2.433 -4.680 -7.972 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -2.408 -4.830 -6.199 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -1.351 -5.860 -7.194 1.00 0.53 H new ATOM 750 N ALA A 67 -5.059 -8.991 -3.831 1.00 0.44 N ATOM 751 CA ALA A 67 -5.038 -9.836 -2.644 1.00 0.51 C ATOM 752 C ALA A 67 -5.782 -11.149 -2.872 1.00 0.55 C ATOM 753 O ALA A 67 -5.309 -12.223 -2.492 1.00 0.63 O ATOM 754 CB ALA A 67 -5.640 -9.093 -1.466 1.00 0.60 C ATOM 0 H ALA A 67 -5.517 -8.090 -3.696 1.00 0.44 H new ATOM 0 HA ALA A 67 -3.998 -10.078 -2.427 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -5.620 -9.733 -0.584 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.062 -8.189 -1.272 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.671 -8.823 -1.695 1.00 0.60 H new ATOM 760 N GLU A 68 -6.948 -11.054 -3.496 1.00 0.60 N ATOM 761 CA GLU A 68 -7.766 -12.226 -3.771 1.00 0.73 C ATOM 762 C GLU A 68 -7.150 -13.066 -4.886 1.00 0.73 C ATOM 763 O GLU A 68 -7.163 -14.297 -4.836 1.00 0.87 O ATOM 764 CB GLU A 68 -9.180 -11.793 -4.171 1.00 0.83 C ATOM 765 CG GLU A 68 -10.134 -12.955 -4.409 1.00 1.10 C ATOM 766 CD GLU A 68 -11.435 -12.518 -5.049 1.00 1.71 C ATOM 767 OE1 GLU A 68 -12.408 -12.240 -4.314 1.00 2.46 O ATOM 768 OE2 GLU A 68 -11.489 -12.447 -6.294 1.00 2.22 O ATOM 0 H GLU A 68 -7.349 -10.175 -3.822 1.00 0.60 H new ATOM 0 HA GLU A 68 -7.814 -12.832 -2.866 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.589 -11.154 -3.389 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -9.123 -11.191 -5.078 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -9.649 -13.693 -5.048 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -10.347 -13.446 -3.459 1.00 1.10 H new ATOM 775 N LYS A 69 -6.583 -12.389 -5.874 1.00 0.65 N ATOM 776 CA LYS A 69 -6.107 -13.045 -7.086 1.00 0.71 C ATOM 777 C LYS A 69 -4.655 -13.512 -6.956 1.00 0.73 C ATOM 778 O LYS A 69 -4.088 -14.061 -7.900 1.00 0.92 O ATOM 779 CB LYS A 69 -6.256 -12.091 -8.273 1.00 0.73 C ATOM 780 CG LYS A 69 -7.686 -11.616 -8.489 1.00 0.77 C ATOM 781 CD LYS A 69 -8.576 -12.728 -9.017 1.00 1.29 C ATOM 782 CE LYS A 69 -10.030 -12.290 -9.111 1.00 1.73 C ATOM 783 NZ LYS A 69 -10.210 -11.106 -9.992 1.00 2.41 N ATOM 0 H LYS A 69 -6.440 -11.379 -5.861 1.00 0.65 H new ATOM 0 HA LYS A 69 -6.715 -13.935 -7.249 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -5.613 -11.225 -8.117 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -5.906 -12.590 -9.177 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -8.091 -11.242 -7.549 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -7.690 -10.783 -9.192 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -8.225 -13.038 -10.001 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -8.499 -13.597 -8.363 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -10.632 -13.116 -9.490 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -10.401 -12.057 -8.113 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -11.225 -10.908 -10.105 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -9.742 -10.281 -9.565 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -9.789 -11.299 -10.923 1.00 2.41 H new ATOM 797 N ALA A 70 -4.059 -13.298 -5.792 1.00 0.67 N ATOM 798 CA ALA A 70 -2.689 -13.731 -5.548 1.00 0.71 C ATOM 799 C ALA A 70 -2.656 -15.153 -5.006 1.00 0.69 C ATOM 800 O ALA A 70 -3.277 -15.448 -3.984 1.00 0.68 O ATOM 801 CB ALA A 70 -1.991 -12.798 -4.574 1.00 0.78 C ATOM 0 H ALA A 70 -4.501 -12.828 -5.002 1.00 0.67 H new ATOM 0 HA ALA A 70 -2.162 -13.705 -6.502 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -0.970 -13.142 -4.408 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -1.971 -11.789 -4.987 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -2.530 -12.791 -3.627 1.00 0.78 H new ATOM 807 N PRO A 71 -1.942 -16.056 -5.688 1.00 0.84 N ATOM 808 CA PRO A 71 -1.788 -17.431 -5.229 1.00 0.90 C ATOM 809 C PRO A 71 -0.704 -17.568 -4.157 1.00 0.81 C ATOM 810 O PRO A 71 0.493 -17.432 -4.437 1.00 0.93 O ATOM 811 CB PRO A 71 -1.392 -18.175 -6.504 1.00 1.19 C ATOM 812 CG PRO A 71 -0.672 -17.163 -7.330 1.00 1.34 C ATOM 813 CD PRO A 71 -1.253 -15.818 -6.970 1.00 1.08 C ATOM 0 HA PRO A 71 -2.692 -17.816 -4.758 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -0.753 -19.030 -6.281 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -2.268 -18.560 -7.026 1.00 1.19 H new ATOM 0 HG2 PRO A 71 0.399 -17.189 -7.128 1.00 1.34 H new ATOM 0 HG3 PRO A 71 -0.801 -17.368 -8.393 1.00 1.34 H new ATOM 0 HD2 PRO A 71 -0.475 -15.061 -6.870 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -1.945 -15.465 -7.735 1.00 1.08 H new ATOM 821 N GLY A 72 -1.131 -17.815 -2.929 1.00 0.75 N ATOM 822 CA GLY A 72 -0.197 -18.055 -1.847 1.00 0.77 C ATOM 823 C GLY A 72 -0.562 -17.273 -0.606 1.00 0.63 C ATOM 824 O GLY A 72 -1.645 -16.688 -0.547 1.00 0.62 O ATOM 0 H GLY A 72 -2.114 -17.854 -2.660 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -0.178 -19.119 -1.613 1.00 0.77 H new ATOM 0 HA3 GLY A 72 0.808 -17.780 -2.167 1.00 0.77 H new ATOM 828 N PRO A 73 0.310 -17.248 0.413 1.00 0.61 N ATOM 829 CA PRO A 73 0.081 -16.448 1.613 1.00 0.58 C ATOM 830 C PRO A 73 0.153 -14.966 1.283 1.00 0.48 C ATOM 831 O PRO A 73 1.196 -14.468 0.858 1.00 0.54 O ATOM 832 CB PRO A 73 1.226 -16.848 2.555 1.00 0.71 C ATOM 833 CG PRO A 73 1.839 -18.069 1.952 1.00 0.90 C ATOM 834 CD PRO A 73 1.577 -17.983 0.476 1.00 0.73 C ATOM 0 HA PRO A 73 -0.901 -16.620 2.053 1.00 0.58 H new ATOM 0 HB2 PRO A 73 1.958 -16.046 2.644 1.00 0.71 H new ATOM 0 HB3 PRO A 73 0.854 -17.052 3.559 1.00 0.71 H new ATOM 0 HG2 PRO A 73 2.909 -18.109 2.156 1.00 0.90 H new ATOM 0 HG3 PRO A 73 1.400 -18.974 2.373 1.00 0.90 H new ATOM 0 HD2 PRO A 73 2.376 -17.457 -0.047 1.00 0.73 H new ATOM 0 HD3 PRO A 73 1.495 -18.970 0.022 1.00 0.73 H new ATOM 842 N VAL A 74 -0.949 -14.263 1.487 1.00 0.48 N ATOM 843 CA VAL A 74 -1.060 -12.886 1.040 1.00 0.46 C ATOM 844 C VAL A 74 -1.154 -11.919 2.211 1.00 0.44 C ATOM 845 O VAL A 74 -1.994 -12.073 3.100 1.00 0.56 O ATOM 846 CB VAL A 74 -2.288 -12.694 0.124 1.00 0.62 C ATOM 847 CG1 VAL A 74 -2.411 -11.247 -0.324 1.00 1.50 C ATOM 848 CG2 VAL A 74 -2.206 -13.614 -1.083 1.00 1.31 C ATOM 0 H VAL A 74 -1.778 -14.624 1.959 1.00 0.48 H new ATOM 0 HA VAL A 74 -0.153 -12.667 0.477 1.00 0.46 H new ATOM 0 HB VAL A 74 -3.178 -12.952 0.698 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -3.284 -11.138 -0.968 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -2.522 -10.604 0.549 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -1.516 -10.959 -0.875 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -3.081 -13.463 -1.716 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -1.304 -13.389 -1.652 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -2.175 -14.651 -0.749 1.00 1.31 H new ATOM 858 N LYS A 75 -0.273 -10.935 2.199 1.00 0.44 N ATOM 859 CA LYS A 75 -0.314 -9.848 3.157 1.00 0.52 C ATOM 860 C LYS A 75 -0.134 -8.536 2.403 1.00 0.42 C ATOM 861 O LYS A 75 0.892 -8.322 1.755 1.00 0.45 O ATOM 862 CB LYS A 75 0.781 -10.030 4.213 1.00 0.76 C ATOM 863 CG LYS A 75 0.682 -9.068 5.386 1.00 1.20 C ATOM 864 CD LYS A 75 -0.634 -9.223 6.129 1.00 1.52 C ATOM 865 CE LYS A 75 -0.675 -8.356 7.377 1.00 1.90 C ATOM 866 NZ LYS A 75 0.310 -8.801 8.397 1.00 2.58 N ATOM 0 H LYS A 75 0.490 -10.868 1.525 1.00 0.44 H new ATOM 0 HA LYS A 75 -1.272 -9.839 3.676 1.00 0.52 H new ATOM 0 HB2 LYS A 75 0.739 -11.052 4.591 1.00 0.76 H new ATOM 0 HB3 LYS A 75 1.754 -9.906 3.737 1.00 0.76 H new ATOM 0 HG2 LYS A 75 1.510 -9.244 6.072 1.00 1.20 H new ATOM 0 HG3 LYS A 75 0.778 -8.044 5.026 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -1.459 -8.953 5.470 1.00 1.52 H new ATOM 0 HD3 LYS A 75 -0.776 -10.268 6.406 1.00 1.52 H new ATOM 0 HE2 LYS A 75 -0.473 -7.320 7.105 1.00 1.90 H new ATOM 0 HE3 LYS A 75 -1.677 -8.383 7.805 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 0.094 -8.349 9.308 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 0.258 -9.834 8.502 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 1.268 -8.532 8.095 1.00 2.58 H new ATOM 880 N VAL A 76 -1.142 -7.679 2.456 1.00 0.42 N ATOM 881 CA VAL A 76 -1.150 -6.469 1.647 1.00 0.39 C ATOM 882 C VAL A 76 -1.069 -5.217 2.513 1.00 0.38 C ATOM 883 O VAL A 76 -1.580 -5.184 3.636 1.00 0.50 O ATOM 884 CB VAL A 76 -2.419 -6.396 0.770 1.00 0.53 C ATOM 885 CG1 VAL A 76 -2.316 -5.285 -0.266 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.689 -7.732 0.098 1.00 1.16 C ATOM 0 H VAL A 76 -1.963 -7.798 3.049 1.00 0.42 H new ATOM 0 HA VAL A 76 -0.270 -6.512 1.006 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.259 -6.164 1.425 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -3.226 -5.262 -0.866 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -2.190 -4.327 0.239 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -1.459 -5.470 -0.914 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.588 -7.656 -0.514 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.841 -8.000 -0.533 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -2.832 -8.500 0.859 1.00 1.16 H new ATOM 896 N LEU A 77 -0.429 -4.193 1.978 1.00 0.35 N ATOM 897 CA LEU A 77 -0.310 -2.913 2.640 1.00 0.41 C ATOM 898 C LEU A 77 -0.476 -1.817 1.610 1.00 0.39 C ATOM 899 O LEU A 77 0.227 -1.793 0.599 1.00 0.43 O ATOM 900 CB LEU A 77 1.048 -2.777 3.334 1.00 0.54 C ATOM 901 CG LEU A 77 1.318 -1.413 3.979 1.00 0.62 C ATOM 902 CD1 LEU A 77 0.338 -1.143 5.107 1.00 0.90 C ATOM 903 CD2 LEU A 77 2.749 -1.335 4.484 1.00 1.35 C ATOM 0 H LEU A 77 0.025 -4.230 1.065 1.00 0.35 H new ATOM 0 HA LEU A 77 -1.084 -2.833 3.403 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.124 -3.546 4.103 1.00 0.54 H new ATOM 0 HB3 LEU A 77 1.833 -2.978 2.604 1.00 0.54 H new ATOM 0 HG LEU A 77 1.178 -0.645 3.218 1.00 0.62 H new ATOM 0 HD11 LEU A 77 0.551 -0.169 5.548 1.00 0.90 H new ATOM 0 HD12 LEU A 77 -0.679 -1.149 4.715 1.00 0.90 H new ATOM 0 HD13 LEU A 77 0.438 -1.916 5.869 1.00 0.90 H new ATOM 0 HD21 LEU A 77 2.922 -0.359 4.939 1.00 1.35 H new ATOM 0 HD22 LEU A 77 2.916 -2.116 5.226 1.00 1.35 H new ATOM 0 HD23 LEU A 77 3.437 -1.474 3.650 1.00 1.35 H new ATOM 915 N VAL A 78 -1.418 -0.931 1.843 1.00 0.37 N ATOM 916 CA VAL A 78 -1.658 0.153 0.922 1.00 0.36 C ATOM 917 C VAL A 78 -1.328 1.491 1.585 1.00 0.36 C ATOM 918 O VAL A 78 -1.766 1.782 2.703 1.00 0.38 O ATOM 919 CB VAL A 78 -3.103 0.118 0.382 1.00 0.40 C ATOM 920 CG1 VAL A 78 -4.118 0.361 1.482 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.269 1.109 -0.751 1.00 1.01 C ATOM 0 H VAL A 78 -2.028 -0.941 2.660 1.00 0.37 H new ATOM 0 HA VAL A 78 -0.998 0.033 0.063 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.291 -0.882 -0.009 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -5.124 0.329 1.063 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -4.018 -0.410 2.246 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -3.943 1.339 1.929 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.294 1.071 -1.120 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -3.050 2.114 -0.390 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -2.583 0.856 -1.559 1.00 1.01 H new ATOM 931 N LEU A 79 -0.516 2.278 0.898 1.00 0.38 N ATOM 932 CA LEU A 79 0.035 3.505 1.455 1.00 0.40 C ATOM 933 C LEU A 79 -0.616 4.725 0.824 1.00 0.37 C ATOM 934 O LEU A 79 -0.240 5.123 -0.271 1.00 0.41 O ATOM 935 CB LEU A 79 1.550 3.584 1.197 1.00 0.46 C ATOM 936 CG LEU A 79 2.457 2.593 1.950 1.00 0.58 C ATOM 937 CD1 LEU A 79 2.385 2.827 3.450 1.00 1.23 C ATOM 938 CD2 LEU A 79 2.112 1.149 1.625 1.00 1.37 C ATOM 0 H LEU A 79 -0.220 2.086 -0.059 1.00 0.38 H new ATOM 0 HA LEU A 79 -0.162 3.493 2.527 1.00 0.40 H new ATOM 0 HB2 LEU A 79 1.716 3.445 0.129 1.00 0.46 H new ATOM 0 HB3 LEU A 79 1.880 4.594 1.442 1.00 0.46 H new ATOM 0 HG LEU A 79 3.478 2.774 1.614 1.00 0.58 H new ATOM 0 HD11 LEU A 79 3.034 2.115 3.961 1.00 1.23 H new ATOM 0 HD12 LEU A 79 2.711 3.842 3.676 1.00 1.23 H new ATOM 0 HD13 LEU A 79 1.358 2.691 3.791 1.00 1.23 H new ATOM 0 HD21 LEU A 79 2.775 0.483 2.177 1.00 1.37 H new ATOM 0 HD22 LEU A 79 1.079 0.949 1.909 1.00 1.37 H new ATOM 0 HD23 LEU A 79 2.234 0.978 0.555 1.00 1.37 H new ATOM 950 N ILE A 80 -1.578 5.321 1.502 1.00 0.41 N ATOM 951 CA ILE A 80 -2.156 6.569 1.027 1.00 0.43 C ATOM 952 C ILE A 80 -1.257 7.732 1.434 1.00 0.41 C ATOM 953 O ILE A 80 -0.943 7.911 2.610 1.00 0.42 O ATOM 954 CB ILE A 80 -3.599 6.790 1.535 1.00 0.54 C ATOM 955 CG1 ILE A 80 -4.027 8.252 1.346 1.00 1.23 C ATOM 956 CG2 ILE A 80 -3.728 6.366 2.981 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.404 8.561 1.893 1.00 1.40 C ATOM 0 H ILE A 80 -1.974 4.969 2.374 1.00 0.41 H new ATOM 0 HA ILE A 80 -2.219 6.513 -0.060 1.00 0.43 H new ATOM 0 HB ILE A 80 -4.269 6.168 0.942 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -3.299 8.900 1.834 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -4.006 8.492 0.283 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -4.751 6.530 3.318 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -3.481 5.309 3.074 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -3.045 6.953 3.595 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -5.636 9.612 1.722 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -6.144 7.940 1.388 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -5.425 8.354 2.963 1.00 1.40 H new ATOM 969 N THR A 81 -0.843 8.513 0.457 1.00 0.60 N ATOM 970 CA THR A 81 0.164 9.531 0.665 1.00 0.69 C ATOM 971 C THR A 81 -0.449 10.926 0.613 1.00 0.79 C ATOM 972 O THR A 81 -1.089 11.296 -0.370 1.00 1.20 O ATOM 973 CB THR A 81 1.269 9.402 -0.399 1.00 1.13 C ATOM 974 OG1 THR A 81 1.821 8.079 -0.365 1.00 2.07 O ATOM 975 CG2 THR A 81 2.372 10.417 -0.178 1.00 1.92 C ATOM 0 H THR A 81 -1.194 8.460 -0.499 1.00 0.60 H new ATOM 0 HA THR A 81 0.597 9.386 1.655 1.00 0.69 H new ATOM 0 HB THR A 81 0.821 9.593 -1.374 1.00 1.13 H new ATOM 0 HG1 THR A 81 1.812 7.698 -1.268 1.00 2.07 H new ATOM 0 HG21 THR A 81 3.135 10.298 -0.947 1.00 1.92 H new ATOM 0 HG22 THR A 81 1.957 11.423 -0.232 1.00 1.92 H new ATOM 0 HG23 THR A 81 2.819 10.261 0.804 1.00 1.92 H new ATOM 983 N GLY A 82 -0.246 11.693 1.673 1.00 0.73 N ATOM 984 CA GLY A 82 -0.798 13.027 1.743 1.00 1.09 C ATOM 985 C GLY A 82 -1.966 13.106 2.700 1.00 0.92 C ATOM 986 O GLY A 82 -1.973 12.435 3.735 1.00 1.03 O ATOM 0 H GLY A 82 0.295 11.412 2.491 1.00 0.73 H new ATOM 0 HA2 GLY A 82 -0.022 13.724 2.059 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -1.121 13.338 0.750 1.00 1.09 H new ATOM 990 N SER A 83 -2.947 13.924 2.366 1.00 1.03 N ATOM 991 CA SER A 83 -4.137 14.066 3.185 1.00 1.19 C ATOM 992 C SER A 83 -5.336 13.453 2.469 1.00 1.10 C ATOM 993 O SER A 83 -5.520 13.655 1.264 1.00 1.22 O ATOM 994 CB SER A 83 -4.391 15.544 3.495 1.00 1.61 C ATOM 995 OG SER A 83 -5.486 15.706 4.379 1.00 2.22 O ATOM 0 H SER A 83 -2.943 14.504 1.527 1.00 1.03 H new ATOM 0 HA SER A 83 -3.987 13.539 4.127 1.00 1.19 H new ATOM 0 HB2 SER A 83 -3.497 15.984 3.937 1.00 1.61 H new ATOM 0 HB3 SER A 83 -4.587 16.083 2.568 1.00 1.61 H new ATOM 0 HG SER A 83 -5.622 16.660 4.559 1.00 2.22 H new ATOM 1001 N ALA A 84 -6.139 12.698 3.208 1.00 1.02 N ATOM 1002 CA ALA A 84 -7.292 12.020 2.636 1.00 0.95 C ATOM 1003 C ALA A 84 -8.481 12.962 2.520 1.00 0.97 C ATOM 1004 O ALA A 84 -9.003 13.444 3.529 1.00 1.13 O ATOM 1005 CB ALA A 84 -7.663 10.807 3.474 1.00 0.97 C ATOM 0 H ALA A 84 -6.011 12.540 4.208 1.00 1.02 H new ATOM 0 HA ALA A 84 -7.023 11.688 1.633 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -8.527 10.311 3.033 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -6.822 10.114 3.503 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -7.906 11.126 4.488 1.00 0.97 H new ATOM 1011 N ASP A 85 -8.894 13.227 1.289 1.00 0.89 N ATOM 1012 CA ASP A 85 -10.063 14.058 1.027 1.00 0.93 C ATOM 1013 C ASP A 85 -11.329 13.318 1.444 1.00 0.81 C ATOM 1014 O ASP A 85 -11.348 12.092 1.426 1.00 0.71 O ATOM 1015 CB ASP A 85 -10.136 14.425 -0.458 1.00 1.02 C ATOM 1016 CG ASP A 85 -8.970 15.275 -0.914 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -9.050 16.516 -0.797 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -7.970 14.708 -1.405 1.00 1.92 O ATOM 0 H ASP A 85 -8.434 12.876 0.449 1.00 0.89 H new ATOM 0 HA ASP A 85 -9.977 14.976 1.608 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -10.167 13.511 -1.052 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -11.066 14.961 -0.649 1.00 1.02 H new ATOM 1023 N PRO A 86 -12.396 14.053 1.822 1.00 0.92 N ATOM 1024 CA PRO A 86 -13.649 13.471 2.336 1.00 0.95 C ATOM 1025 C PRO A 86 -14.118 12.222 1.585 1.00 0.85 C ATOM 1026 O PRO A 86 -14.424 11.196 2.204 1.00 0.88 O ATOM 1027 CB PRO A 86 -14.646 14.607 2.146 1.00 1.11 C ATOM 1028 CG PRO A 86 -13.834 15.841 2.325 1.00 1.30 C ATOM 1029 CD PRO A 86 -12.463 15.528 1.785 1.00 1.11 C ATOM 0 HA PRO A 86 -13.531 13.125 3.363 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -15.105 14.573 1.158 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -15.454 14.553 2.875 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -14.280 16.680 1.791 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -13.782 16.123 3.377 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -12.336 15.909 0.772 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -11.680 15.979 2.395 1.00 1.11 H new ATOM 1037 N ASP A 87 -14.166 12.304 0.259 1.00 0.82 N ATOM 1038 CA ASP A 87 -14.596 11.173 -0.562 1.00 0.86 C ATOM 1039 C ASP A 87 -13.685 9.974 -0.347 1.00 0.74 C ATOM 1040 O ASP A 87 -14.145 8.892 0.015 1.00 0.79 O ATOM 1041 CB ASP A 87 -14.610 11.540 -2.049 1.00 1.02 C ATOM 1042 CG ASP A 87 -15.743 12.475 -2.416 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -16.814 11.987 -2.835 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -15.573 13.705 -2.292 1.00 2.21 O ATOM 0 H ASP A 87 -13.914 13.138 -0.270 1.00 0.82 H new ATOM 0 HA ASP A 87 -15.609 10.915 -0.255 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -13.661 12.007 -2.311 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -14.691 10.629 -2.642 1.00 1.02 H new ATOM 1049 N GLU A 88 -12.391 10.183 -0.541 1.00 0.68 N ATOM 1050 CA GLU A 88 -11.409 9.109 -0.452 1.00 0.67 C ATOM 1051 C GLU A 88 -11.237 8.629 0.988 1.00 0.55 C ATOM 1052 O GLU A 88 -10.881 7.478 1.227 1.00 0.54 O ATOM 1053 CB GLU A 88 -10.078 9.578 -1.031 1.00 0.80 C ATOM 1054 CG GLU A 88 -10.189 10.064 -2.469 1.00 1.02 C ATOM 1055 CD GLU A 88 -10.728 9.004 -3.413 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -11.961 8.968 -3.643 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -9.922 8.210 -3.941 1.00 2.32 O ATOM 0 H GLU A 88 -11.993 11.095 -0.763 1.00 0.68 H new ATOM 0 HA GLU A 88 -11.771 8.262 -1.035 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -9.683 10.383 -0.411 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -9.360 8.759 -0.985 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -10.840 10.937 -2.502 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -9.207 10.385 -2.815 1.00 1.02 H new ATOM 1064 N LYS A 89 -11.504 9.514 1.938 1.00 0.57 N ATOM 1065 CA LYS A 89 -11.495 9.160 3.353 1.00 0.62 C ATOM 1066 C LYS A 89 -12.588 8.131 3.620 1.00 0.59 C ATOM 1067 O LYS A 89 -12.413 7.193 4.400 1.00 0.64 O ATOM 1068 CB LYS A 89 -11.727 10.417 4.200 1.00 0.77 C ATOM 1069 CG LYS A 89 -11.543 10.218 5.698 1.00 1.34 C ATOM 1070 CD LYS A 89 -11.872 11.496 6.458 1.00 1.77 C ATOM 1071 CE LYS A 89 -11.527 11.391 7.936 1.00 2.39 C ATOM 1072 NZ LYS A 89 -12.287 10.310 8.617 1.00 2.81 N ATOM 0 H LYS A 89 -11.732 10.491 1.753 1.00 0.57 H new ATOM 0 HA LYS A 89 -10.529 8.732 3.621 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -11.043 11.196 3.864 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -12.738 10.780 4.017 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -12.186 9.408 6.043 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -10.515 9.920 5.906 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -11.325 12.330 6.017 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -12.934 11.718 6.349 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -10.459 11.205 8.045 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -11.737 12.343 8.424 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -12.083 10.331 9.637 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -13.306 10.453 8.465 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -12.005 9.388 8.227 1.00 2.81 H new ATOM 1086 N THR A 90 -13.710 8.307 2.935 1.00 0.62 N ATOM 1087 CA THR A 90 -14.832 7.394 3.043 1.00 0.69 C ATOM 1088 C THR A 90 -14.541 6.101 2.280 1.00 0.62 C ATOM 1089 O THR A 90 -14.957 5.015 2.692 1.00 0.69 O ATOM 1090 CB THR A 90 -16.115 8.056 2.506 1.00 0.86 C ATOM 1091 OG1 THR A 90 -16.267 9.353 3.107 1.00 1.33 O ATOM 1092 CG2 THR A 90 -17.343 7.209 2.810 1.00 1.17 C ATOM 0 H THR A 90 -13.864 9.084 2.293 1.00 0.62 H new ATOM 0 HA THR A 90 -14.981 7.150 4.095 1.00 0.69 H new ATOM 0 HB THR A 90 -16.026 8.150 1.424 1.00 0.86 H new ATOM 0 HG1 THR A 90 -15.698 9.999 2.639 1.00 1.33 H new ATOM 0 HG21 THR A 90 -18.232 7.703 2.418 1.00 1.17 H new ATOM 0 HG22 THR A 90 -17.235 6.231 2.341 1.00 1.17 H new ATOM 0 HG23 THR A 90 -17.442 7.086 3.888 1.00 1.17 H new ATOM 1100 N LYS A 91 -13.803 6.227 1.177 1.00 0.57 N ATOM 1101 CA LYS A 91 -13.372 5.066 0.404 1.00 0.64 C ATOM 1102 C LYS A 91 -12.465 4.187 1.250 1.00 0.63 C ATOM 1103 O LYS A 91 -12.623 2.969 1.299 1.00 0.73 O ATOM 1104 CB LYS A 91 -12.591 5.490 -0.844 1.00 0.73 C ATOM 1105 CG LYS A 91 -13.274 6.538 -1.701 1.00 1.06 C ATOM 1106 CD LYS A 91 -14.543 6.021 -2.343 1.00 1.51 C ATOM 1107 CE LYS A 91 -15.084 7.026 -3.343 1.00 1.83 C ATOM 1108 NZ LYS A 91 -14.090 7.331 -4.407 1.00 2.41 N ATOM 0 H LYS A 91 -13.492 7.122 0.800 1.00 0.57 H new ATOM 0 HA LYS A 91 -14.267 4.521 0.104 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -11.619 5.873 -0.533 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -12.405 4.607 -1.455 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -13.509 7.408 -1.088 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -12.587 6.872 -2.478 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -14.344 5.073 -2.843 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -15.291 5.825 -1.575 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -15.994 6.634 -3.797 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -15.356 7.945 -2.824 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -14.578 7.733 -5.233 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -13.396 8.017 -4.047 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -13.600 6.457 -4.686 1.00 2.41 H new ATOM 1122 N ALA A 92 -11.533 4.836 1.938 1.00 0.58 N ATOM 1123 CA ALA A 92 -10.475 4.150 2.649 1.00 0.67 C ATOM 1124 C ALA A 92 -11.033 3.352 3.805 1.00 0.68 C ATOM 1125 O ALA A 92 -10.697 2.185 3.976 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.439 5.151 3.141 1.00 0.74 C ATOM 0 H ALA A 92 -11.494 5.852 2.015 1.00 0.58 H new ATOM 0 HA ALA A 92 -9.992 3.455 1.962 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -8.648 4.624 3.674 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -9.012 5.681 2.290 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -9.914 5.866 3.812 1.00 0.74 H new ATOM 1132 N LYS A 93 -11.909 3.973 4.581 1.00 0.64 N ATOM 1133 CA LYS A 93 -12.466 3.314 5.749 1.00 0.71 C ATOM 1134 C LYS A 93 -13.326 2.119 5.352 1.00 0.70 C ATOM 1135 O LYS A 93 -13.347 1.100 6.044 1.00 0.79 O ATOM 1136 CB LYS A 93 -13.277 4.287 6.609 1.00 0.80 C ATOM 1137 CG LYS A 93 -14.395 4.998 5.867 1.00 1.09 C ATOM 1138 CD LYS A 93 -15.343 5.735 6.809 1.00 1.56 C ATOM 1139 CE LYS A 93 -14.624 6.750 7.692 1.00 2.00 C ATOM 1140 NZ LYS A 93 -14.087 6.139 8.940 1.00 2.44 N ATOM 0 H LYS A 93 -12.246 4.923 4.424 1.00 0.64 H new ATOM 0 HA LYS A 93 -11.627 2.953 6.343 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -13.705 3.740 7.449 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -12.602 5.034 7.026 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -13.964 5.708 5.161 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -14.960 4.271 5.284 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -16.107 6.246 6.223 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -15.858 5.010 7.440 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -13.806 7.201 7.130 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -15.313 7.554 7.952 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -14.337 6.736 9.754 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -14.496 5.191 9.067 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -13.052 6.063 8.872 1.00 2.44 H new ATOM 1154 N LYS A 94 -14.018 2.248 4.228 1.00 0.66 N ATOM 1155 CA LYS A 94 -14.894 1.193 3.743 1.00 0.71 C ATOM 1156 C LYS A 94 -14.079 0.056 3.138 1.00 0.67 C ATOM 1157 O LYS A 94 -14.222 -1.102 3.534 1.00 0.74 O ATOM 1158 CB LYS A 94 -15.870 1.748 2.702 1.00 0.78 C ATOM 1159 CG LYS A 94 -16.884 0.729 2.206 1.00 1.36 C ATOM 1160 CD LYS A 94 -17.816 0.282 3.320 1.00 1.79 C ATOM 1161 CE LYS A 94 -18.784 -0.785 2.839 1.00 2.57 C ATOM 1162 NZ LYS A 94 -19.791 -1.130 3.877 1.00 2.85 N ATOM 0 H LYS A 94 -13.988 3.077 3.634 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.462 0.804 4.588 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -16.402 2.596 3.133 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -15.303 2.126 1.851 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -17.468 1.161 1.393 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -16.362 -0.136 1.798 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -17.230 -0.106 4.153 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -18.375 1.140 3.695 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -19.294 -0.435 1.941 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -18.228 -1.680 2.561 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -20.432 -1.861 3.509 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -19.307 -1.489 4.725 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -20.339 -0.282 4.124 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.211 0.399 2.194 1.00 0.60 N ATOM 1177 CA ALA A 95 -12.404 -0.591 1.497 1.00 0.60 C ATOM 1178 C ALA A 95 -11.492 -1.334 2.465 1.00 0.57 C ATOM 1179 O ALA A 95 -11.310 -2.541 2.344 1.00 0.57 O ATOM 1180 CB ALA A 95 -11.594 0.066 0.392 1.00 0.63 C ATOM 0 H ALA A 95 -13.049 1.360 1.894 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.077 -1.320 1.045 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -10.996 -0.689 -0.119 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -12.269 0.539 -0.322 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -10.935 0.820 0.823 1.00 0.63 H new ATOM 1186 N ALA A 96 -10.937 -0.612 3.435 1.00 0.57 N ATOM 1187 CA ALA A 96 -10.067 -1.216 4.440 1.00 0.58 C ATOM 1188 C ALA A 96 -10.808 -2.280 5.233 1.00 0.56 C ATOM 1189 O ALA A 96 -10.254 -3.332 5.543 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.520 -0.159 5.386 1.00 0.64 C ATOM 0 H ALA A 96 -11.074 0.393 3.546 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.235 -1.686 3.916 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -8.875 -0.632 6.126 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -8.946 0.574 4.820 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -10.347 0.340 5.892 1.00 0.64 H new ATOM 1196 N GLU A 97 -12.065 -1.995 5.546 1.00 0.57 N ATOM 1197 CA GLU A 97 -12.889 -2.898 6.337 1.00 0.63 C ATOM 1198 C GLU A 97 -13.185 -4.176 5.557 1.00 0.55 C ATOM 1199 O GLU A 97 -13.135 -5.279 6.102 1.00 0.58 O ATOM 1200 CB GLU A 97 -14.188 -2.192 6.729 1.00 0.80 C ATOM 1201 CG GLU A 97 -15.069 -2.992 7.672 1.00 1.46 C ATOM 1202 CD GLU A 97 -16.297 -2.219 8.095 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -17.340 -2.336 7.425 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -16.222 -1.480 9.100 1.00 2.39 O ATOM 0 H GLU A 97 -12.539 -1.138 5.261 1.00 0.57 H new ATOM 0 HA GLU A 97 -12.348 -3.175 7.242 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -13.944 -1.239 7.198 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -14.753 -1.966 5.825 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -15.374 -3.918 7.185 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -14.494 -3.271 8.555 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.466 -4.018 4.273 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.757 -5.150 3.404 1.00 0.57 C ATOM 1213 C GLU A 98 -12.484 -5.940 3.115 1.00 0.52 C ATOM 1214 O GLU A 98 -12.487 -7.171 3.099 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.367 -4.652 2.095 1.00 0.66 C ATOM 1216 CG GLU A 98 -15.607 -3.794 2.281 1.00 1.40 C ATOM 1217 CD GLU A 98 -16.782 -4.573 2.832 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -17.621 -5.031 2.027 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -16.877 -4.730 4.063 1.00 2.66 O ATOM 0 H GLU A 98 -13.499 -3.112 3.806 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.468 -5.805 3.907 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -13.617 -4.077 1.552 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -14.621 -5.511 1.474 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -15.375 -2.970 2.955 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -15.886 -3.354 1.324 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.393 -5.215 2.910 1.00 0.46 N ATOM 1227 CA ALA A 99 -10.115 -5.814 2.552 1.00 0.49 C ATOM 1228 C ALA A 99 -9.454 -6.514 3.739 1.00 0.46 C ATOM 1229 O ALA A 99 -8.478 -7.250 3.568 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.192 -4.759 1.968 1.00 0.58 C ATOM 0 H ALA A 99 -11.369 -4.198 2.987 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.307 -6.579 1.799 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.239 -5.216 1.703 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -9.649 -4.329 1.076 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -9.025 -3.973 2.705 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.976 -6.274 4.941 1.00 0.47 N ATOM 1237 CA ARG A 100 -9.458 -6.906 6.158 1.00 0.53 C ATOM 1238 C ARG A 100 -9.450 -8.429 6.045 1.00 0.51 C ATOM 1239 O ARG A 100 -8.637 -9.098 6.682 1.00 0.56 O ATOM 1240 CB ARG A 100 -10.277 -6.483 7.379 1.00 0.64 C ATOM 1241 CG ARG A 100 -9.900 -5.116 7.919 1.00 1.22 C ATOM 1242 CD ARG A 100 -10.856 -4.651 9.004 1.00 1.52 C ATOM 1243 NE ARG A 100 -10.914 -5.578 10.132 1.00 2.17 N ATOM 1244 CZ ARG A 100 -11.373 -5.254 11.339 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -11.779 -4.012 11.591 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -11.424 -6.172 12.294 1.00 3.77 N ATOM 0 H ARG A 100 -10.762 -5.643 5.100 1.00 0.47 H new ATOM 0 HA ARG A 100 -8.429 -6.569 6.282 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -11.334 -6.481 7.114 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -10.148 -7.224 8.168 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -8.887 -5.151 8.319 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -9.896 -4.392 7.104 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -10.546 -3.669 9.360 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -11.854 -4.536 8.580 1.00 1.52 H new ATOM 0 HE ARG A 100 -10.583 -6.532 9.986 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -11.739 -3.304 10.858 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -12.130 -3.768 12.517 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -11.112 -7.124 12.103 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -11.775 -5.926 13.220 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.345 -8.965 5.222 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.418 -10.404 4.989 1.00 0.58 C ATOM 1262 C LYS A 101 -9.104 -10.932 4.407 1.00 0.63 C ATOM 1263 O LYS A 101 -8.688 -12.055 4.693 1.00 0.81 O ATOM 1264 CB LYS A 101 -11.583 -10.716 4.044 1.00 0.74 C ATOM 1265 CG LYS A 101 -11.817 -12.200 3.819 1.00 1.37 C ATOM 1266 CD LYS A 101 -13.066 -12.445 2.989 1.00 1.81 C ATOM 1267 CE LYS A 101 -13.353 -13.930 2.828 1.00 2.63 C ATOM 1268 NZ LYS A 101 -12.308 -14.620 2.027 1.00 3.24 N ATOM 0 H LYS A 101 -11.034 -8.421 4.702 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.587 -10.903 5.943 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -12.493 -10.272 4.448 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -11.395 -10.239 3.082 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -10.953 -12.634 3.316 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -11.912 -12.705 4.780 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -13.919 -11.959 3.463 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -12.945 -11.989 2.006 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -13.420 -14.394 3.812 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -14.322 -14.061 2.347 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -12.595 -15.605 1.857 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -12.190 -14.132 1.116 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -11.407 -14.607 2.546 1.00 3.24 H new ATOM 1282 N TRP A 102 -8.441 -10.105 3.608 1.00 0.57 N ATOM 1283 CA TRP A 102 -7.178 -10.486 2.989 1.00 0.71 C ATOM 1284 C TRP A 102 -6.005 -9.840 3.715 1.00 0.64 C ATOM 1285 O TRP A 102 -4.867 -9.895 3.251 1.00 0.73 O ATOM 1286 CB TRP A 102 -7.161 -10.090 1.516 1.00 0.84 C ATOM 1287 CG TRP A 102 -8.189 -10.806 0.697 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -8.024 -11.980 0.024 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -9.539 -10.396 0.466 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -9.190 -12.326 -0.611 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -10.134 -11.368 -0.356 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -10.302 -9.300 0.875 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -11.457 -11.278 -0.775 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -11.615 -9.211 0.459 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -12.180 -10.196 -0.360 1.00 2.21 C ATOM 0 H TRP A 102 -8.758 -9.164 3.373 1.00 0.57 H new ATOM 0 HA TRP A 102 -7.080 -11.569 3.063 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -7.326 -9.016 1.434 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -6.173 -10.293 1.104 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -7.109 -12.554 -0.005 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -9.330 -13.161 -1.180 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -9.872 -8.536 1.506 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -11.897 -12.036 -1.406 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -12.216 -8.369 0.770 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -13.210 -10.098 -0.670 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.305 -9.226 4.859 1.00 0.56 N ATOM 1307 CA ASN A 103 -5.295 -8.586 5.702 1.00 0.64 C ATOM 1308 C ASN A 103 -4.647 -7.404 4.991 1.00 0.56 C ATOM 1309 O ASN A 103 -3.448 -7.161 5.133 1.00 0.70 O ATOM 1310 CB ASN A 103 -4.213 -9.584 6.149 1.00 0.89 C ATOM 1311 CG ASN A 103 -4.690 -10.565 7.207 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -5.943 -10.988 7.122 1.00 1.58 O flip ATOM 1313 ND2 ASN A 103 -3.927 -10.947 8.093 1.00 2.00 N flip ATOM 0 H ASN A 103 -7.254 -9.158 5.227 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.812 -8.220 6.589 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -3.863 -10.141 5.280 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -3.358 -9.030 6.538 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -2.969 -10.599 8.126 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -4.253 -11.612 8.795 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.444 -6.672 4.224 1.00 0.46 N ATOM 1321 CA VAL A 104 -4.960 -5.476 3.549 1.00 0.45 C ATOM 1322 C VAL A 104 -4.974 -4.294 4.510 1.00 0.48 C ATOM 1323 O VAL A 104 -6.039 -3.782 4.859 1.00 0.63 O ATOM 1324 CB VAL A 104 -5.824 -5.130 2.319 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.234 -3.952 1.555 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -5.990 -6.339 1.408 1.00 0.99 C ATOM 0 H VAL A 104 -6.427 -6.885 4.054 1.00 0.46 H new ATOM 0 HA VAL A 104 -3.943 -5.678 3.214 1.00 0.45 H new ATOM 0 HB VAL A 104 -6.813 -4.841 2.676 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -5.861 -3.727 0.692 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -5.189 -3.080 2.208 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -4.229 -4.204 1.217 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -6.603 -6.066 0.549 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -5.011 -6.672 1.063 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.475 -7.145 1.958 1.00 0.99 H new ATOM 1336 N ARG A 105 -3.799 -3.874 4.949 1.00 0.45 N ATOM 1337 CA ARG A 105 -3.695 -2.770 5.893 1.00 0.48 C ATOM 1338 C ARG A 105 -3.518 -1.443 5.167 1.00 0.44 C ATOM 1339 O ARG A 105 -2.848 -1.371 4.137 1.00 0.51 O ATOM 1340 CB ARG A 105 -2.534 -2.989 6.861 1.00 0.59 C ATOM 1341 CG ARG A 105 -2.702 -4.206 7.752 1.00 1.28 C ATOM 1342 CD ARG A 105 -1.658 -4.233 8.854 1.00 1.72 C ATOM 1343 NE ARG A 105 -1.743 -3.048 9.710 1.00 2.38 N ATOM 1344 CZ ARG A 105 -1.164 -2.946 10.904 1.00 3.11 C ATOM 1345 NH1 ARG A 105 -0.458 -3.958 11.398 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -1.296 -1.826 11.604 1.00 4.06 N ATOM 0 H ARG A 105 -2.905 -4.278 4.669 1.00 0.45 H new ATOM 0 HA ARG A 105 -4.625 -2.735 6.460 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -1.611 -3.093 6.290 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -2.423 -2.104 7.487 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -3.699 -4.201 8.193 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -2.623 -5.112 7.152 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -1.791 -5.130 9.459 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -0.663 -4.292 8.412 1.00 1.72 H new ATOM 0 HE ARG A 105 -2.280 -2.250 9.370 1.00 2.38 H new ATOM 0 HH11 ARG A 105 -0.357 -4.820 10.861 1.00 3.33 H new ATOM 0 HH12 ARG A 105 -0.017 -3.873 12.314 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -1.839 -1.049 11.226 1.00 4.06 H new ATOM 0 HH22 ARG A 105 -0.855 -1.742 12.520 1.00 4.06 H new ATOM 1360 N VAL A 106 -4.120 -0.398 5.714 1.00 0.47 N ATOM 1361 CA VAL A 106 -4.023 0.935 5.136 1.00 0.48 C ATOM 1362 C VAL A 106 -3.190 1.840 6.036 1.00 0.50 C ATOM 1363 O VAL A 106 -3.494 2.002 7.218 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.416 1.571 4.937 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -5.303 2.932 4.263 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -6.322 0.650 4.136 1.00 1.58 C ATOM 0 H VAL A 106 -4.684 -0.448 6.562 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.544 0.833 4.162 1.00 0.48 H new ATOM 0 HB VAL A 106 -5.861 1.716 5.921 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -6.298 3.358 4.135 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -4.701 3.596 4.883 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -4.829 2.817 3.288 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -7.297 1.120 4.009 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -5.879 0.464 3.158 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -6.441 -0.295 4.666 1.00 1.58 H new ATOM 1376 N ARG A 107 -2.139 2.420 5.482 1.00 0.46 N ATOM 1377 CA ARG A 107 -1.300 3.345 6.229 1.00 0.58 C ATOM 1378 C ARG A 107 -1.123 4.643 5.464 1.00 0.49 C ATOM 1379 O ARG A 107 -1.082 4.650 4.236 1.00 0.48 O ATOM 1380 CB ARG A 107 0.060 2.720 6.544 1.00 0.74 C ATOM 1381 CG ARG A 107 0.015 1.728 7.692 1.00 1.02 C ATOM 1382 CD ARG A 107 1.388 1.158 7.996 1.00 0.90 C ATOM 1383 NE ARG A 107 1.369 0.307 9.184 1.00 1.58 N ATOM 1384 CZ ARG A 107 2.036 -0.839 9.297 1.00 2.15 C ATOM 1385 NH1 ARG A 107 2.782 -1.285 8.292 1.00 2.26 N ATOM 1386 NH2 ARG A 107 1.960 -1.537 10.422 1.00 3.00 N ATOM 0 H ARG A 107 -1.845 2.267 4.517 1.00 0.46 H new ATOM 0 HA ARG A 107 -1.799 3.564 7.173 1.00 0.58 H new ATOM 0 HB2 ARG A 107 0.436 2.217 5.653 1.00 0.74 H new ATOM 0 HB3 ARG A 107 0.769 3.512 6.785 1.00 0.74 H new ATOM 0 HG2 ARG A 107 -0.380 2.219 8.581 1.00 1.02 H new ATOM 0 HG3 ARG A 107 -0.669 0.916 7.445 1.00 1.02 H new ATOM 0 HD2 ARG A 107 1.740 0.581 7.141 1.00 0.90 H new ATOM 0 HD3 ARG A 107 2.096 1.973 8.144 1.00 0.90 H new ATOM 0 HE ARG A 107 0.807 0.612 9.979 1.00 1.58 H new ATOM 0 HH11 ARG A 107 2.846 -0.748 7.427 1.00 2.26 H new ATOM 0 HH12 ARG A 107 3.291 -2.164 8.385 1.00 2.26 H new ATOM 0 HH21 ARG A 107 1.392 -1.195 11.197 1.00 3.00 H new ATOM 0 HH22 ARG A 107 2.470 -2.416 10.512 1.00 3.00 H new ATOM 1400 N THR A 108 -1.038 5.742 6.196 1.00 0.56 N ATOM 1401 CA THR A 108 -0.916 7.055 5.592 1.00 0.51 C ATOM 1402 C THR A 108 0.532 7.538 5.620 1.00 0.52 C ATOM 1403 O THR A 108 1.215 7.428 6.639 1.00 0.66 O ATOM 1404 CB THR A 108 -1.818 8.070 6.320 1.00 0.59 C ATOM 1405 OG1 THR A 108 -3.138 7.521 6.457 1.00 0.86 O ATOM 1406 CG2 THR A 108 -1.893 9.389 5.562 1.00 0.68 C ATOM 0 H THR A 108 -1.052 5.748 7.216 1.00 0.56 H new ATOM 0 HA THR A 108 -1.235 6.975 4.553 1.00 0.51 H new ATOM 0 HB THR A 108 -1.388 8.267 7.302 1.00 0.59 H new ATOM 0 HG1 THR A 108 -3.713 8.164 6.921 1.00 0.86 H new ATOM 0 HG21 THR A 108 -2.537 10.083 6.102 1.00 0.68 H new ATOM 0 HG22 THR A 108 -0.894 9.815 5.474 1.00 0.68 H new ATOM 0 HG23 THR A 108 -2.302 9.214 4.567 1.00 0.68 H new ATOM 1414 N VAL A 109 0.997 8.053 4.493 1.00 0.47 N ATOM 1415 CA VAL A 109 2.339 8.598 4.391 1.00 0.55 C ATOM 1416 C VAL A 109 2.277 10.112 4.224 1.00 0.57 C ATOM 1417 O VAL A 109 1.834 10.613 3.193 1.00 0.62 O ATOM 1418 CB VAL A 109 3.110 7.986 3.201 1.00 0.67 C ATOM 1419 CG1 VAL A 109 4.526 8.539 3.128 1.00 1.51 C ATOM 1420 CG2 VAL A 109 3.132 6.469 3.296 1.00 1.05 C ATOM 0 H VAL A 109 0.458 8.104 3.629 1.00 0.47 H new ATOM 0 HA VAL A 109 2.868 8.346 5.310 1.00 0.55 H new ATOM 0 HB VAL A 109 2.590 8.264 2.284 1.00 0.67 H new ATOM 0 HG11 VAL A 109 5.048 8.092 2.282 1.00 1.51 H new ATOM 0 HG12 VAL A 109 4.488 9.621 3.001 1.00 1.51 H new ATOM 0 HG13 VAL A 109 5.058 8.300 4.049 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.680 6.059 2.448 1.00 1.05 H new ATOM 0 HG22 VAL A 109 3.621 6.170 4.223 1.00 1.05 H new ATOM 0 HG23 VAL A 109 2.110 6.089 3.286 1.00 1.05 H new ATOM 1430 N THR A 110 2.698 10.838 5.245 1.00 0.70 N ATOM 1431 CA THR A 110 2.703 12.289 5.189 1.00 0.84 C ATOM 1432 C THR A 110 4.109 12.794 4.873 1.00 0.84 C ATOM 1433 O THR A 110 4.290 13.866 4.289 1.00 0.97 O ATOM 1434 CB THR A 110 2.202 12.893 6.515 1.00 1.02 C ATOM 1435 OG1 THR A 110 0.960 12.273 6.885 1.00 1.55 O ATOM 1436 CG2 THR A 110 1.999 14.395 6.393 1.00 1.45 C ATOM 0 H THR A 110 3.041 10.447 6.122 1.00 0.70 H new ATOM 0 HA THR A 110 2.025 12.606 4.396 1.00 0.84 H new ATOM 0 HB THR A 110 2.956 12.709 7.280 1.00 1.02 H new ATOM 0 HG1 THR A 110 0.642 12.656 7.729 1.00 1.55 H new ATOM 0 HG21 THR A 110 1.645 14.793 7.344 1.00 1.45 H new ATOM 0 HG22 THR A 110 2.944 14.870 6.130 1.00 1.45 H new ATOM 0 HG23 THR A 110 1.262 14.601 5.617 1.00 1.45 H new ATOM 1444 N SER A 111 5.104 12.010 5.257 1.00 0.79 N ATOM 1445 CA SER A 111 6.487 12.306 4.926 1.00 0.85 C ATOM 1446 C SER A 111 7.181 11.024 4.465 1.00 0.76 C ATOM 1447 O SER A 111 6.909 9.943 4.987 1.00 0.69 O ATOM 1448 CB SER A 111 7.199 12.918 6.139 1.00 0.96 C ATOM 1449 OG SER A 111 7.125 12.068 7.273 1.00 1.52 O ATOM 0 H SER A 111 4.977 11.158 5.802 1.00 0.79 H new ATOM 0 HA SER A 111 6.525 13.033 4.115 1.00 0.85 H new ATOM 0 HB2 SER A 111 8.244 13.105 5.892 1.00 0.96 H new ATOM 0 HB3 SER A 111 6.750 13.882 6.377 1.00 0.96 H new ATOM 0 HG SER A 111 8.000 12.034 7.714 1.00 1.52 H new ATOM 1455 N PRO A 112 8.073 11.133 3.459 1.00 0.82 N ATOM 1456 CA PRO A 112 8.702 9.970 2.809 1.00 0.80 C ATOM 1457 C PRO A 112 9.471 9.064 3.772 1.00 0.70 C ATOM 1458 O PRO A 112 9.736 7.903 3.452 1.00 0.74 O ATOM 1459 CB PRO A 112 9.658 10.589 1.780 1.00 0.95 C ATOM 1460 CG PRO A 112 9.816 12.013 2.187 1.00 1.05 C ATOM 1461 CD PRO A 112 8.532 12.399 2.865 1.00 0.97 C ATOM 0 HA PRO A 112 7.944 9.319 2.375 1.00 0.80 H new ATOM 0 HB2 PRO A 112 10.618 10.073 1.777 1.00 0.95 H new ATOM 0 HB3 PRO A 112 9.252 10.512 0.771 1.00 0.95 H new ATOM 0 HG2 PRO A 112 10.664 12.134 2.861 1.00 1.05 H new ATOM 0 HG3 PRO A 112 10.005 12.647 1.321 1.00 1.05 H new ATOM 0 HD2 PRO A 112 8.691 13.165 3.623 1.00 0.97 H new ATOM 0 HD3 PRO A 112 7.806 12.798 2.156 1.00 0.97 H new ATOM 1469 N ASP A 113 9.818 9.584 4.946 1.00 0.67 N ATOM 1470 CA ASP A 113 10.522 8.789 5.949 1.00 0.66 C ATOM 1471 C ASP A 113 9.583 7.765 6.579 1.00 0.59 C ATOM 1472 O ASP A 113 10.027 6.766 7.141 1.00 0.63 O ATOM 1473 CB ASP A 113 11.132 9.675 7.042 1.00 0.74 C ATOM 1474 CG ASP A 113 10.099 10.249 7.990 1.00 1.73 C ATOM 1475 OD1 ASP A 113 9.807 9.609 9.021 1.00 2.48 O ATOM 1476 OD2 ASP A 113 9.583 11.353 7.716 1.00 2.44 O ATOM 0 H ASP A 113 9.625 10.546 5.226 1.00 0.67 H new ATOM 0 HA ASP A 113 11.332 8.267 5.440 1.00 0.66 H new ATOM 0 HB2 ASP A 113 11.855 9.092 7.612 1.00 0.74 H new ATOM 0 HB3 ASP A 113 11.680 10.493 6.574 1.00 0.74 H new ATOM 1481 N GLU A 114 8.284 8.010 6.483 1.00 0.57 N ATOM 1482 CA GLU A 114 7.304 7.066 6.990 1.00 0.60 C ATOM 1483 C GLU A 114 7.205 5.870 6.058 1.00 0.52 C ATOM 1484 O GLU A 114 7.067 4.736 6.503 1.00 0.52 O ATOM 1485 CB GLU A 114 5.934 7.721 7.138 1.00 0.73 C ATOM 1486 CG GLU A 114 5.920 8.881 8.113 1.00 1.18 C ATOM 1487 CD GLU A 114 4.532 9.427 8.330 1.00 1.99 C ATOM 1488 OE1 GLU A 114 4.075 10.248 7.512 1.00 2.63 O ATOM 1489 OE2 GLU A 114 3.885 9.043 9.326 1.00 2.70 O ATOM 0 H GLU A 114 7.888 8.850 6.061 1.00 0.57 H new ATOM 0 HA GLU A 114 7.632 6.733 7.975 1.00 0.60 H new ATOM 0 HB2 GLU A 114 5.601 8.073 6.162 1.00 0.73 H new ATOM 0 HB3 GLU A 114 5.215 6.971 7.468 1.00 0.73 H new ATOM 0 HG2 GLU A 114 6.334 8.556 9.068 1.00 1.18 H new ATOM 0 HG3 GLU A 114 6.566 9.675 7.739 1.00 1.18 H new ATOM 1496 N ALA A 115 7.300 6.132 4.762 1.00 0.55 N ATOM 1497 CA ALA A 115 7.218 5.078 3.764 1.00 0.58 C ATOM 1498 C ALA A 115 8.361 4.088 3.933 1.00 0.51 C ATOM 1499 O ALA A 115 8.136 2.882 4.028 1.00 0.51 O ATOM 1500 CB ALA A 115 7.229 5.667 2.364 1.00 0.70 C ATOM 0 H ALA A 115 7.434 7.067 4.378 1.00 0.55 H new ATOM 0 HA ALA A 115 6.278 4.545 3.907 1.00 0.58 H new ATOM 0 HB1 ALA A 115 7.167 4.863 1.631 1.00 0.70 H new ATOM 0 HB2 ALA A 115 6.376 6.335 2.243 1.00 0.70 H new ATOM 0 HB3 ALA A 115 8.152 6.226 2.212 1.00 0.70 H new ATOM 1506 N LYS A 116 9.584 4.607 4.007 1.00 0.51 N ATOM 1507 CA LYS A 116 10.765 3.764 4.167 1.00 0.51 C ATOM 1508 C LYS A 116 10.663 2.942 5.451 1.00 0.44 C ATOM 1509 O LYS A 116 11.131 1.806 5.515 1.00 0.49 O ATOM 1510 CB LYS A 116 12.040 4.620 4.173 1.00 0.64 C ATOM 1511 CG LYS A 116 12.148 5.568 5.356 1.00 1.38 C ATOM 1512 CD LYS A 116 13.324 6.524 5.221 1.00 1.43 C ATOM 1513 CE LYS A 116 14.650 5.786 5.131 1.00 1.80 C ATOM 1514 NZ LYS A 116 15.804 6.720 5.056 1.00 2.33 N ATOM 0 H LYS A 116 9.783 5.606 3.959 1.00 0.51 H new ATOM 0 HA LYS A 116 10.817 3.077 3.322 1.00 0.51 H new ATOM 0 HB2 LYS A 116 12.907 3.960 4.170 1.00 0.64 H new ATOM 0 HB3 LYS A 116 12.079 5.201 3.251 1.00 0.64 H new ATOM 0 HG2 LYS A 116 11.225 6.141 5.446 1.00 1.38 H new ATOM 0 HG3 LYS A 116 12.255 4.990 6.274 1.00 1.38 H new ATOM 0 HD2 LYS A 116 13.191 7.140 4.331 1.00 1.43 H new ATOM 0 HD3 LYS A 116 13.342 7.199 6.076 1.00 1.43 H new ATOM 0 HE2 LYS A 116 14.764 5.138 6.000 1.00 1.80 H new ATOM 0 HE3 LYS A 116 14.647 5.142 4.252 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 16.688 6.175 4.996 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 15.710 7.321 4.213 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 15.823 7.318 5.907 1.00 2.33 H new ATOM 1528 N ARG A 117 10.024 3.525 6.456 1.00 0.42 N ATOM 1529 CA ARG A 117 9.813 2.862 7.729 1.00 0.44 C ATOM 1530 C ARG A 117 8.753 1.773 7.613 1.00 0.43 C ATOM 1531 O ARG A 117 9.024 0.598 7.866 1.00 0.50 O ATOM 1532 CB ARG A 117 9.378 3.888 8.776 1.00 0.57 C ATOM 1533 CG ARG A 117 8.942 3.279 10.099 1.00 0.90 C ATOM 1534 CD ARG A 117 8.235 4.308 10.958 1.00 1.39 C ATOM 1535 NE ARG A 117 7.838 3.780 12.263 1.00 1.99 N ATOM 1536 CZ ARG A 117 7.203 4.497 13.189 1.00 2.83 C ATOM 1537 NH1 ARG A 117 6.910 5.771 12.954 1.00 3.30 N ATOM 1538 NH2 ARG A 117 6.865 3.946 14.351 1.00 3.61 N ATOM 0 H ARG A 117 9.639 4.469 6.409 1.00 0.42 H new ATOM 0 HA ARG A 117 10.751 2.397 8.031 1.00 0.44 H new ATOM 0 HB2 ARG A 117 10.203 4.576 8.960 1.00 0.57 H new ATOM 0 HB3 ARG A 117 8.555 4.478 8.371 1.00 0.57 H new ATOM 0 HG2 ARG A 117 8.278 2.435 9.914 1.00 0.90 H new ATOM 0 HG3 ARG A 117 9.811 2.891 10.630 1.00 0.90 H new ATOM 0 HD2 ARG A 117 8.891 5.166 11.103 1.00 1.39 H new ATOM 0 HD3 ARG A 117 7.351 4.668 10.432 1.00 1.39 H new ATOM 0 HE ARG A 117 8.060 2.808 12.476 1.00 1.99 H new ATOM 0 HH11 ARG A 117 7.171 6.199 12.066 1.00 3.30 H new ATOM 0 HH12 ARG A 117 6.424 6.321 13.662 1.00 3.30 H new ATOM 0 HH21 ARG A 117 7.092 2.969 14.537 1.00 3.61 H new ATOM 0 HH22 ARG A 117 6.379 4.500 15.056 1.00 3.61 H new ATOM 1552 N TRP A 118 7.551 2.169 7.211 1.00 0.43 N ATOM 1553 CA TRP A 118 6.405 1.275 7.238 1.00 0.51 C ATOM 1554 C TRP A 118 6.544 0.118 6.252 1.00 0.51 C ATOM 1555 O TRP A 118 6.065 -0.980 6.524 1.00 0.60 O ATOM 1556 CB TRP A 118 5.107 2.040 6.969 1.00 0.59 C ATOM 1557 CG TRP A 118 4.722 2.973 8.081 1.00 0.89 C ATOM 1558 CD1 TRP A 118 4.467 4.310 7.979 1.00 0.98 C ATOM 1559 CD2 TRP A 118 4.555 2.637 9.465 1.00 1.69 C ATOM 1560 NE1 TRP A 118 4.148 4.824 9.213 1.00 1.51 N ATOM 1561 CE2 TRP A 118 4.193 3.818 10.140 1.00 2.00 C ATOM 1562 CE3 TRP A 118 4.671 1.452 10.199 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 3.950 3.848 11.510 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 4.430 1.483 11.559 1.00 3.18 C ATOM 1565 CH2 TRP A 118 4.071 2.674 12.202 1.00 3.39 C ATOM 0 H TRP A 118 7.347 3.106 6.862 1.00 0.43 H new ATOM 0 HA TRP A 118 6.368 0.849 8.241 1.00 0.51 H new ATOM 0 HB2 TRP A 118 5.215 2.611 6.047 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.300 1.325 6.809 1.00 0.59 H new ATOM 0 HD1 TRP A 118 4.510 4.880 7.063 1.00 0.98 H new ATOM 0 HE1 TRP A 118 3.915 5.798 9.407 1.00 1.51 H new ATOM 0 HE3 TRP A 118 4.944 0.528 9.711 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 3.676 4.766 12.009 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 4.520 0.574 12.135 1.00 3.18 H new ATOM 0 HH2 TRP A 118 3.886 2.666 13.266 1.00 3.39 H new ATOM 1576 N ILE A 119 7.192 0.357 5.116 1.00 0.48 N ATOM 1577 CA ILE A 119 7.386 -0.702 4.128 1.00 0.54 C ATOM 1578 C ILE A 119 8.296 -1.793 4.686 1.00 0.53 C ATOM 1579 O ILE A 119 7.976 -2.978 4.599 1.00 0.58 O ATOM 1580 CB ILE A 119 7.962 -0.162 2.795 1.00 0.60 C ATOM 1581 CG1 ILE A 119 6.964 0.802 2.143 1.00 0.67 C ATOM 1582 CG2 ILE A 119 8.292 -1.309 1.841 1.00 0.69 C ATOM 1583 CD1 ILE A 119 7.476 1.440 0.870 1.00 0.81 C ATOM 0 H ILE A 119 7.587 1.261 4.858 1.00 0.48 H new ATOM 0 HA ILE A 119 6.404 -1.124 3.915 1.00 0.54 H new ATOM 0 HB ILE A 119 8.885 0.376 3.011 1.00 0.60 H new ATOM 0 HG12 ILE A 119 6.042 0.263 1.923 1.00 0.67 H new ATOM 0 HG13 ILE A 119 6.712 1.587 2.856 1.00 0.67 H new ATOM 0 HG21 ILE A 119 8.695 -0.905 0.912 1.00 0.69 H new ATOM 0 HG22 ILE A 119 9.031 -1.965 2.302 1.00 0.69 H new ATOM 0 HG23 ILE A 119 7.386 -1.876 1.627 1.00 0.69 H new ATOM 0 HD11 ILE A 119 6.715 2.109 0.467 1.00 0.81 H new ATOM 0 HD12 ILE A 119 8.381 2.008 1.086 1.00 0.81 H new ATOM 0 HD13 ILE A 119 7.701 0.664 0.139 1.00 0.81 H new ATOM 1595 N LYS A 120 9.407 -1.389 5.295 1.00 0.52 N ATOM 1596 CA LYS A 120 10.346 -2.347 5.872 1.00 0.57 C ATOM 1597 C LYS A 120 9.762 -3.001 7.119 1.00 0.56 C ATOM 1598 O LYS A 120 10.008 -4.174 7.387 1.00 0.61 O ATOM 1599 CB LYS A 120 11.675 -1.675 6.209 1.00 0.66 C ATOM 1600 CG LYS A 120 12.422 -1.154 4.994 1.00 1.08 C ATOM 1601 CD LYS A 120 13.808 -0.664 5.372 1.00 1.68 C ATOM 1602 CE LYS A 120 14.560 -0.123 4.169 1.00 2.25 C ATOM 1603 NZ LYS A 120 13.936 1.112 3.623 1.00 2.76 N ATOM 0 H LYS A 120 9.678 -0.412 5.402 1.00 0.52 H new ATOM 0 HA LYS A 120 10.527 -3.121 5.126 1.00 0.57 H new ATOM 0 HB2 LYS A 120 11.490 -0.847 6.893 1.00 0.66 H new ATOM 0 HB3 LYS A 120 12.309 -2.388 6.736 1.00 0.66 H new ATOM 0 HG2 LYS A 120 12.503 -1.944 4.247 1.00 1.08 H new ATOM 0 HG3 LYS A 120 11.858 -0.341 4.538 1.00 1.08 H new ATOM 0 HD2 LYS A 120 13.724 0.115 6.129 1.00 1.68 H new ATOM 0 HD3 LYS A 120 14.374 -1.482 5.817 1.00 1.68 H new ATOM 0 HE2 LYS A 120 15.591 0.088 4.453 1.00 2.25 H new ATOM 0 HE3 LYS A 120 14.593 -0.885 3.391 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 14.676 1.734 3.239 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 13.269 0.859 2.866 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 13.426 1.608 4.382 1.00 2.76 H new ATOM 1617 N GLU A 121 8.980 -2.235 7.871 1.00 0.56 N ATOM 1618 CA GLU A 121 8.309 -2.747 9.061 1.00 0.63 C ATOM 1619 C GLU A 121 7.296 -3.817 8.663 1.00 0.67 C ATOM 1620 O GLU A 121 7.036 -4.770 9.403 1.00 0.79 O ATOM 1621 CB GLU A 121 7.607 -1.596 9.790 1.00 0.71 C ATOM 1622 CG GLU A 121 6.975 -1.988 11.114 1.00 1.18 C ATOM 1623 CD GLU A 121 7.991 -2.486 12.118 1.00 1.87 C ATOM 1624 OE1 GLU A 121 8.021 -3.704 12.386 1.00 2.50 O ATOM 1625 OE2 GLU A 121 8.766 -1.661 12.646 1.00 2.57 O ATOM 0 H GLU A 121 8.794 -1.251 7.676 1.00 0.56 H new ATOM 0 HA GLU A 121 9.045 -3.193 9.729 1.00 0.63 H new ATOM 0 HB2 GLU A 121 8.330 -0.799 9.967 1.00 0.71 H new ATOM 0 HB3 GLU A 121 6.834 -1.187 9.139 1.00 0.71 H new ATOM 0 HG2 GLU A 121 6.449 -1.129 11.530 1.00 1.18 H new ATOM 0 HG3 GLU A 121 6.230 -2.764 10.941 1.00 1.18 H new ATOM 1632 N PHE A 122 6.741 -3.647 7.475 1.00 0.65 N ATOM 1633 CA PHE A 122 5.757 -4.566 6.934 1.00 0.76 C ATOM 1634 C PHE A 122 6.427 -5.815 6.373 1.00 0.78 C ATOM 1635 O PHE A 122 5.892 -6.920 6.482 1.00 0.89 O ATOM 1636 CB PHE A 122 4.955 -3.853 5.843 1.00 0.86 C ATOM 1637 CG PHE A 122 3.929 -4.709 5.162 1.00 1.36 C ATOM 1638 CD1 PHE A 122 2.728 -5.002 5.786 1.00 2.24 C ATOM 1639 CD2 PHE A 122 4.160 -5.205 3.889 1.00 1.98 C ATOM 1640 CE1 PHE A 122 1.779 -5.776 5.153 1.00 2.95 C ATOM 1641 CE2 PHE A 122 3.214 -5.981 3.253 1.00 2.74 C ATOM 1642 CZ PHE A 122 2.022 -6.266 3.885 1.00 3.02 C ATOM 0 H PHE A 122 6.961 -2.865 6.858 1.00 0.65 H new ATOM 0 HA PHE A 122 5.087 -4.882 7.733 1.00 0.76 H new ATOM 0 HB2 PHE A 122 4.455 -2.990 6.283 1.00 0.86 H new ATOM 0 HB3 PHE A 122 5.647 -3.472 5.092 1.00 0.86 H new ATOM 0 HD1 PHE A 122 2.533 -4.621 6.777 1.00 2.24 H new ATOM 0 HD2 PHE A 122 5.091 -4.981 3.389 1.00 1.98 H new ATOM 0 HE1 PHE A 122 0.846 -5.999 5.649 1.00 2.95 H new ATOM 0 HE2 PHE A 122 3.406 -6.365 2.262 1.00 2.74 H new ATOM 0 HZ PHE A 122 1.279 -6.872 3.388 1.00 3.02 H new ATOM 1652 N SER A 123 7.599 -5.635 5.781 1.00 0.72 N ATOM 1653 CA SER A 123 8.318 -6.735 5.161 1.00 0.79 C ATOM 1654 C SER A 123 9.088 -7.552 6.192 1.00 0.81 C ATOM 1655 O SER A 123 8.910 -8.768 6.289 1.00 1.02 O ATOM 1656 CB SER A 123 9.262 -6.200 4.086 1.00 0.82 C ATOM 1657 OG SER A 123 10.078 -5.159 4.595 1.00 1.40 O ATOM 0 H SER A 123 8.072 -4.734 5.718 1.00 0.72 H new ATOM 0 HA SER A 123 7.588 -7.399 4.697 1.00 0.79 H new ATOM 0 HB2 SER A 123 9.890 -7.009 3.714 1.00 0.82 H new ATOM 0 HB3 SER A 123 8.682 -5.831 3.240 1.00 0.82 H new ATOM 0 HG SER A 123 10.581 -4.749 3.861 1.00 1.40 H new ATOM 1663 N GLU A 124 9.932 -6.889 6.970 1.00 0.80 N ATOM 1664 CA GLU A 124 10.751 -7.575 7.952 1.00 1.00 C ATOM 1665 C GLU A 124 10.947 -6.705 9.193 1.00 1.48 C ATOM 1666 O GLU A 124 10.239 -6.872 10.188 1.00 2.09 O ATOM 1667 CB GLU A 124 12.099 -7.961 7.337 1.00 1.88 C ATOM 1668 CG GLU A 124 12.855 -9.019 8.122 1.00 2.61 C ATOM 1669 CD GLU A 124 14.197 -9.351 7.506 1.00 3.54 C ATOM 1670 OE1 GLU A 124 15.229 -9.089 8.154 1.00 4.12 O ATOM 1671 OE2 GLU A 124 14.229 -9.869 6.367 1.00 4.14 O ATOM 0 H GLU A 124 10.066 -5.878 6.938 1.00 0.80 H new ATOM 0 HA GLU A 124 10.238 -8.487 8.259 1.00 1.00 H new ATOM 0 HB2 GLU A 124 11.933 -8.325 6.323 1.00 1.88 H new ATOM 0 HB3 GLU A 124 12.720 -7.069 7.258 1.00 1.88 H new ATOM 0 HG2 GLU A 124 13.004 -8.671 9.144 1.00 2.61 H new ATOM 0 HG3 GLU A 124 12.251 -9.925 8.179 1.00 2.61 H new