USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=22 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 Set 1.1: A 29 SER OG : rot 110:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot 68:sc= -1.07 USER MOD Single : A 30 ASN : amide:sc= -0.261 K(o=-0.26,f=-2.9!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= 0.242 (180deg=-0.149) USER MOD Single : A 41 MET CE :methyl -161:sc= -0.128 (180deg=-0.548) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.1! K(o=-2.1!,f=-2.9) USER MOD Single : A 51 THR OG1 : rot 41:sc= 0.0844 USER MOD Single : A 55 SER OG : rot 30:sc= 0.0616 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.297 F(o=-1.2,f=-0.3) USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= 1.16 (180deg=0.924) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= -0.0159 (180deg=-0.159) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 91:sc= 1.26 USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= 1.2 (180deg=0.924) USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= -0.0115 (180deg=-0.178) USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= -0.0492 (180deg=-0.282) USER MOD Single : A 101 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.2) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.113 F(o=-1.9!,f=-0.11) 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 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.24) USER MOD Single : A 120 LYS NZ :NH3+ -169:sc= -0.0095 (180deg=-0.163) USER MOD Single : A 123 SER OG : rot -160:sc= -0.48 USER MOD ----------------------------------------------------------------- ATOM 17 N ARG A 22 3.772 -14.022 -0.504 1.00 0.88 N ATOM 18 CA ARG A 22 4.049 -12.841 -1.297 1.00 0.73 C ATOM 19 C ARG A 22 3.498 -11.608 -0.593 1.00 0.55 C ATOM 20 O ARG A 22 2.349 -11.595 -0.153 1.00 0.56 O ATOM 21 CB ARG A 22 3.433 -12.972 -2.694 1.00 0.86 C ATOM 22 CG ARG A 22 3.793 -11.835 -3.642 1.00 1.33 C ATOM 23 CD ARG A 22 5.144 -12.050 -4.315 1.00 1.33 C ATOM 24 NE ARG A 22 6.250 -12.161 -3.359 1.00 1.91 N ATOM 25 CZ ARG A 22 7.439 -12.690 -3.652 1.00 2.43 C ATOM 26 NH1 ARG A 22 7.699 -13.123 -4.878 1.00 2.62 N ATOM 27 NH2 ARG A 22 8.369 -12.778 -2.713 1.00 3.31 N ATOM 0 HA ARG A 22 5.129 -12.738 -1.408 1.00 0.73 H new ATOM 0 HB2 ARG A 22 3.757 -13.915 -3.135 1.00 0.86 H new ATOM 0 HB3 ARG A 22 2.348 -13.021 -2.598 1.00 0.86 H new ATOM 0 HG2 ARG A 22 3.020 -11.742 -4.405 1.00 1.33 H new ATOM 0 HG3 ARG A 22 3.810 -10.896 -3.089 1.00 1.33 H new ATOM 0 HD2 ARG A 22 5.102 -12.956 -4.920 1.00 1.33 H new ATOM 0 HD3 ARG A 22 5.341 -11.221 -4.995 1.00 1.33 H new ATOM 0 HE ARG A 22 6.101 -11.812 -2.412 1.00 1.91 H new ATOM 0 HH11 ARG A 22 6.987 -13.053 -5.605 1.00 2.62 H new ATOM 0 HH12 ARG A 22 8.611 -13.526 -5.094 1.00 2.62 H new ATOM 0 HH21 ARG A 22 8.175 -12.442 -1.770 1.00 3.31 H new ATOM 0 HH22 ARG A 22 9.279 -13.182 -2.933 1.00 3.31 H new ATOM 41 N LEU A 23 4.322 -10.589 -0.462 1.00 0.51 N ATOM 42 CA LEU A 23 3.892 -9.350 0.156 1.00 0.43 C ATOM 43 C LEU A 23 3.742 -8.267 -0.900 1.00 0.37 C ATOM 44 O LEU A 23 4.570 -8.148 -1.805 1.00 0.40 O ATOM 45 CB LEU A 23 4.872 -8.907 1.246 1.00 0.58 C ATOM 46 CG LEU A 23 4.946 -9.817 2.478 1.00 1.05 C ATOM 47 CD1 LEU A 23 5.823 -11.033 2.214 1.00 1.76 C ATOM 48 CD2 LEU A 23 5.458 -9.041 3.677 1.00 1.55 C ATOM 0 H LEU A 23 5.293 -10.593 -0.775 1.00 0.51 H new ATOM 0 HA LEU A 23 2.925 -9.520 0.628 1.00 0.43 H new ATOM 0 HB2 LEU A 23 5.868 -8.836 0.808 1.00 0.58 H new ATOM 0 HB3 LEU A 23 4.596 -7.904 1.573 1.00 0.58 H new ATOM 0 HG LEU A 23 3.939 -10.173 2.695 1.00 1.05 H new ATOM 0 HD11 LEU A 23 5.856 -11.659 3.106 1.00 1.76 H new ATOM 0 HD12 LEU A 23 5.410 -11.606 1.384 1.00 1.76 H new ATOM 0 HD13 LEU A 23 6.832 -10.706 1.963 1.00 1.76 H new ATOM 0 HD21 LEU A 23 5.505 -9.700 4.544 1.00 1.55 H new ATOM 0 HD22 LEU A 23 6.454 -8.653 3.461 1.00 1.55 H new ATOM 0 HD23 LEU A 23 4.784 -8.211 3.888 1.00 1.55 H new ATOM 60 N VAL A 24 2.678 -7.494 -0.779 1.00 0.35 N ATOM 61 CA VAL A 24 2.333 -6.488 -1.767 1.00 0.37 C ATOM 62 C VAL A 24 2.254 -5.112 -1.117 1.00 0.38 C ATOM 63 O VAL A 24 1.707 -4.965 -0.028 1.00 0.42 O ATOM 64 CB VAL A 24 0.974 -6.814 -2.430 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.641 -5.811 -3.526 1.00 0.46 C ATOM 66 CG2 VAL A 24 0.972 -8.233 -2.982 1.00 0.45 C ATOM 0 H VAL A 24 2.029 -7.546 0.006 1.00 0.35 H new ATOM 0 HA VAL A 24 3.112 -6.487 -2.530 1.00 0.37 H new ATOM 0 HB VAL A 24 0.202 -6.741 -1.664 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.320 -6.066 -3.973 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.588 -4.810 -3.099 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.416 -5.838 -4.292 1.00 0.46 H new ATOM 0 HG21 VAL A 24 0.007 -8.442 -3.444 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.761 -8.335 -3.727 1.00 0.45 H new ATOM 0 HG23 VAL A 24 1.146 -8.939 -2.170 1.00 0.45 H new ATOM 76 N VAL A 25 2.811 -4.114 -1.782 1.00 0.39 N ATOM 77 CA VAL A 25 2.745 -2.742 -1.312 1.00 0.41 C ATOM 78 C VAL A 25 2.137 -1.859 -2.395 1.00 0.39 C ATOM 79 O VAL A 25 2.677 -1.742 -3.494 1.00 0.42 O ATOM 80 CB VAL A 25 4.136 -2.189 -0.927 1.00 0.46 C ATOM 81 CG1 VAL A 25 4.009 -0.804 -0.307 1.00 0.51 C ATOM 82 CG2 VAL A 25 4.854 -3.135 0.024 1.00 0.52 C ATOM 0 H VAL A 25 3.319 -4.232 -2.659 1.00 0.39 H new ATOM 0 HA VAL A 25 2.122 -2.733 -0.417 1.00 0.41 H new ATOM 0 HB VAL A 25 4.730 -2.108 -1.837 1.00 0.46 H new ATOM 0 HG11 VAL A 25 4.999 -0.432 -0.043 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.545 -0.126 -1.023 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.392 -0.862 0.590 1.00 0.51 H new ATOM 0 HG21 VAL A 25 5.830 -2.723 0.279 1.00 0.52 H new ATOM 0 HG22 VAL A 25 4.263 -3.257 0.932 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.984 -4.105 -0.457 1.00 0.52 H new ATOM 92 N LEU A 26 1.005 -1.261 -2.089 1.00 0.40 N ATOM 93 CA LEU A 26 0.313 -0.403 -3.034 1.00 0.38 C ATOM 94 C LEU A 26 0.354 1.039 -2.554 1.00 0.37 C ATOM 95 O LEU A 26 -0.192 1.373 -1.502 1.00 0.48 O ATOM 96 CB LEU A 26 -1.123 -0.895 -3.223 1.00 0.46 C ATOM 97 CG LEU A 26 -1.233 -2.205 -4.008 1.00 0.56 C ATOM 98 CD1 LEU A 26 -2.565 -2.886 -3.764 1.00 1.15 C ATOM 99 CD2 LEU A 26 -1.055 -1.936 -5.490 1.00 1.33 C ATOM 0 H LEU A 26 0.540 -1.353 -1.186 1.00 0.40 H new ATOM 0 HA LEU A 26 0.813 -0.444 -4.002 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.582 -1.030 -2.244 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.695 -0.124 -3.739 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.444 -2.873 -3.661 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -2.610 -3.813 -4.336 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -2.670 -3.109 -2.702 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -3.374 -2.226 -4.078 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -1.134 -2.873 -6.042 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -1.828 -1.247 -5.830 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -0.074 -1.494 -5.664 1.00 1.33 H new ATOM 111 N ILE A 27 1.012 1.889 -3.325 1.00 0.33 N ATOM 112 CA ILE A 27 1.250 3.263 -2.907 1.00 0.36 C ATOM 113 C ILE A 27 0.350 4.230 -3.668 1.00 0.39 C ATOM 114 O ILE A 27 0.304 4.218 -4.898 1.00 0.40 O ATOM 115 CB ILE A 27 2.741 3.654 -3.079 1.00 0.44 C ATOM 116 CG1 ILE A 27 2.965 5.120 -2.695 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.212 3.393 -4.505 1.00 1.32 C ATOM 118 CD1 ILE A 27 4.423 5.530 -2.681 1.00 1.36 C ATOM 0 H ILE A 27 1.391 1.654 -4.242 1.00 0.33 H new ATOM 0 HA ILE A 27 1.005 3.331 -1.847 1.00 0.36 H new ATOM 0 HB ILE A 27 3.332 3.031 -2.408 1.00 0.44 H new ATOM 0 HG12 ILE A 27 2.425 5.756 -3.396 1.00 0.93 H new ATOM 0 HG13 ILE A 27 2.537 5.297 -1.708 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.261 3.675 -4.599 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.099 2.334 -4.737 1.00 1.32 H new ATOM 0 HG23 ILE A 27 2.614 3.983 -5.199 1.00 1.32 H new ATOM 0 HD11 ILE A 27 4.503 6.580 -2.401 1.00 1.36 H new ATOM 0 HD12 ILE A 27 4.966 4.919 -1.959 1.00 1.36 H new ATOM 0 HD13 ILE A 27 4.851 5.386 -3.673 1.00 1.36 H new ATOM 130 N VAL A 28 -0.376 5.052 -2.925 1.00 0.48 N ATOM 131 CA VAL A 28 -1.287 6.017 -3.516 1.00 0.56 C ATOM 132 C VAL A 28 -0.669 7.410 -3.493 1.00 0.86 C ATOM 133 O VAL A 28 -0.736 8.115 -2.479 1.00 1.37 O ATOM 134 CB VAL A 28 -2.625 6.043 -2.744 1.00 0.77 C ATOM 135 CG1 VAL A 28 -3.610 7.012 -3.377 1.00 1.12 C ATOM 136 CG2 VAL A 28 -3.225 4.652 -2.659 1.00 1.17 C ATOM 0 H VAL A 28 -0.350 5.069 -1.905 1.00 0.48 H new ATOM 0 HA VAL A 28 -1.473 5.719 -4.548 1.00 0.56 H new ATOM 0 HB VAL A 28 -2.416 6.391 -1.732 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -4.541 7.007 -2.810 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -3.187 8.017 -3.371 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -3.809 6.709 -4.405 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -4.166 4.695 -2.111 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -3.407 4.272 -3.664 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.533 3.988 -2.140 1.00 1.17 H new ATOM 146 N SER A 29 -0.055 7.788 -4.607 1.00 0.85 N ATOM 147 CA SER A 29 0.533 9.111 -4.764 1.00 1.25 C ATOM 148 C SER A 29 1.034 9.301 -6.189 1.00 0.83 C ATOM 149 O SER A 29 1.017 8.368 -6.993 1.00 1.53 O ATOM 150 CB SER A 29 1.691 9.307 -3.780 1.00 2.38 C ATOM 151 OG SER A 29 2.654 8.274 -3.903 1.00 3.23 O ATOM 0 H SER A 29 0.049 7.187 -5.425 1.00 0.85 H new ATOM 0 HA SER A 29 -0.237 9.853 -4.554 1.00 1.25 H new ATOM 0 HB2 SER A 29 2.165 10.272 -3.961 1.00 2.38 H new ATOM 0 HB3 SER A 29 1.305 9.327 -2.761 1.00 2.38 H new ATOM 0 HG SER A 29 3.474 8.637 -4.299 1.00 3.23 H new ATOM 157 N ASN A 30 1.477 10.507 -6.499 1.00 1.19 N ATOM 158 CA ASN A 30 2.216 10.743 -7.727 1.00 1.67 C ATOM 159 C ASN A 30 3.404 11.635 -7.401 1.00 1.19 C ATOM 160 O ASN A 30 3.351 12.859 -7.548 1.00 1.38 O ATOM 161 CB ASN A 30 1.313 11.402 -8.778 1.00 2.93 C ATOM 162 CG ASN A 30 1.949 11.468 -10.158 1.00 3.86 C ATOM 163 OD1 ASN A 30 3.170 11.538 -10.301 1.00 4.32 O ATOM 164 ND2 ASN A 30 1.118 11.454 -11.186 1.00 4.58 N ATOM 0 H ASN A 30 1.339 11.335 -5.920 1.00 1.19 H new ATOM 0 HA ASN A 30 2.566 9.798 -8.142 1.00 1.67 H new ATOM 0 HB2 ASN A 30 0.377 10.847 -8.843 1.00 2.93 H new ATOM 0 HB3 ASN A 30 1.063 12.412 -8.451 1.00 2.93 H new ATOM 0 HD21 ASN A 30 1.483 11.502 -12.137 1.00 4.58 H new ATOM 0 HD22 ASN A 30 0.112 11.395 -11.028 1.00 4.58 H new ATOM 171 N ASP A 31 4.469 11.009 -6.929 1.00 1.45 N ATOM 172 CA ASP A 31 5.685 11.717 -6.563 1.00 1.18 C ATOM 173 C ASP A 31 6.887 11.110 -7.277 1.00 0.94 C ATOM 174 O ASP A 31 6.779 10.038 -7.868 1.00 1.28 O ATOM 175 CB ASP A 31 5.876 11.667 -5.047 1.00 1.61 C ATOM 176 CG ASP A 31 6.922 12.643 -4.561 1.00 1.74 C ATOM 177 OD1 ASP A 31 6.695 13.865 -4.681 1.00 2.03 O ATOM 178 OD2 ASP A 31 7.978 12.202 -4.064 1.00 2.29 O ATOM 0 H ASP A 31 4.516 10.000 -6.789 1.00 1.45 H new ATOM 0 HA ASP A 31 5.597 12.759 -6.871 1.00 1.18 H new ATOM 0 HB2 ASP A 31 4.927 11.884 -4.557 1.00 1.61 H new ATOM 0 HB3 ASP A 31 6.162 10.657 -4.754 1.00 1.61 H new ATOM 183 N LYS A 32 8.026 11.781 -7.230 1.00 0.79 N ATOM 184 CA LYS A 32 9.260 11.191 -7.732 1.00 0.82 C ATOM 185 C LYS A 32 9.998 10.464 -6.611 1.00 0.66 C ATOM 186 O LYS A 32 10.050 9.232 -6.586 1.00 0.68 O ATOM 187 CB LYS A 32 10.175 12.247 -8.365 1.00 1.24 C ATOM 188 CG LYS A 32 9.829 12.593 -9.808 1.00 1.77 C ATOM 189 CD LYS A 32 8.534 13.379 -9.925 1.00 2.22 C ATOM 190 CE LYS A 32 8.670 14.782 -9.355 1.00 3.17 C ATOM 191 NZ LYS A 32 7.449 15.592 -9.593 1.00 3.77 N ATOM 0 H LYS A 32 8.124 12.724 -6.854 1.00 0.79 H new ATOM 0 HA LYS A 32 8.989 10.474 -8.507 1.00 0.82 H new ATOM 0 HB2 LYS A 32 10.130 13.156 -7.765 1.00 1.24 H new ATOM 0 HB3 LYS A 32 11.204 11.890 -8.326 1.00 1.24 H new ATOM 0 HG2 LYS A 32 10.642 13.173 -10.244 1.00 1.77 H new ATOM 0 HG3 LYS A 32 9.746 11.674 -10.388 1.00 1.77 H new ATOM 0 HD2 LYS A 32 8.239 13.440 -10.973 1.00 2.22 H new ATOM 0 HD3 LYS A 32 7.739 12.849 -9.400 1.00 2.22 H new ATOM 0 HE2 LYS A 32 8.864 14.722 -8.284 1.00 3.17 H new ATOM 0 HE3 LYS A 32 9.529 15.277 -9.808 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 7.579 16.542 -9.191 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 7.278 15.670 -10.616 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 6.634 15.132 -9.140 1.00 3.77 H new ATOM 205 N LYS A 33 10.524 11.240 -5.668 1.00 0.71 N ATOM 206 CA LYS A 33 11.374 10.720 -4.599 1.00 0.75 C ATOM 207 C LYS A 33 10.655 9.686 -3.738 1.00 0.68 C ATOM 208 O LYS A 33 11.226 8.645 -3.407 1.00 0.78 O ATOM 209 CB LYS A 33 11.869 11.868 -3.715 1.00 0.95 C ATOM 210 CG LYS A 33 12.697 11.402 -2.528 1.00 1.45 C ATOM 211 CD LYS A 33 13.101 12.562 -1.638 1.00 1.86 C ATOM 212 CE LYS A 33 13.862 12.080 -0.414 1.00 2.71 C ATOM 213 NZ LYS A 33 14.256 13.203 0.475 1.00 3.23 N ATOM 0 H LYS A 33 10.374 12.248 -5.622 1.00 0.71 H new ATOM 0 HA LYS A 33 12.220 10.224 -5.075 1.00 0.75 H new ATOM 0 HB2 LYS A 33 12.466 12.551 -4.319 1.00 0.95 H new ATOM 0 HB3 LYS A 33 11.011 12.432 -3.351 1.00 0.95 H new ATOM 0 HG2 LYS A 33 12.125 10.679 -1.947 1.00 1.45 H new ATOM 0 HG3 LYS A 33 13.590 10.889 -2.886 1.00 1.45 H new ATOM 0 HD2 LYS A 33 13.721 13.258 -2.203 1.00 1.86 H new ATOM 0 HD3 LYS A 33 12.212 13.109 -1.324 1.00 1.86 H new ATOM 0 HE2 LYS A 33 13.244 11.376 0.143 1.00 2.71 H new ATOM 0 HE3 LYS A 33 14.753 11.539 -0.731 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 14.772 12.830 1.297 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 14.867 13.862 -0.048 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 13.404 13.704 0.799 1.00 3.23 H new ATOM 227 N LEU A 34 9.412 9.975 -3.369 1.00 0.61 N ATOM 228 CA LEU A 34 8.641 9.069 -2.526 1.00 0.64 C ATOM 229 C LEU A 34 8.492 7.710 -3.192 1.00 0.53 C ATOM 230 O LEU A 34 8.755 6.676 -2.580 1.00 0.62 O ATOM 231 CB LEU A 34 7.259 9.649 -2.229 1.00 0.70 C ATOM 232 CG LEU A 34 6.316 8.716 -1.473 1.00 0.82 C ATOM 233 CD1 LEU A 34 6.771 8.532 -0.037 1.00 1.39 C ATOM 234 CD2 LEU A 34 4.897 9.242 -1.525 1.00 1.38 C ATOM 0 H LEU A 34 8.918 10.826 -3.639 1.00 0.61 H new ATOM 0 HA LEU A 34 9.182 8.946 -1.588 1.00 0.64 H new ATOM 0 HB2 LEU A 34 7.382 10.564 -1.649 1.00 0.70 H new ATOM 0 HB3 LEU A 34 6.789 9.930 -3.172 1.00 0.70 H new ATOM 0 HG LEU A 34 6.339 7.740 -1.959 1.00 0.82 H new ATOM 0 HD11 LEU A 34 6.083 7.863 0.480 1.00 1.39 H new ATOM 0 HD12 LEU A 34 7.773 8.102 -0.025 1.00 1.39 H new ATOM 0 HD13 LEU A 34 6.785 9.498 0.467 1.00 1.39 H new ATOM 0 HD21 LEU A 34 4.238 8.565 -0.981 1.00 1.38 H new ATOM 0 HD22 LEU A 34 4.859 10.231 -1.068 1.00 1.38 H new ATOM 0 HD23 LEU A 34 4.572 9.309 -2.563 1.00 1.38 H new ATOM 246 N ILE A 35 8.084 7.723 -4.454 1.00 0.43 N ATOM 247 CA ILE A 35 7.897 6.491 -5.204 1.00 0.43 C ATOM 248 C ILE A 35 9.226 5.756 -5.368 1.00 0.46 C ATOM 249 O ILE A 35 9.266 4.523 -5.351 1.00 0.52 O ATOM 250 CB ILE A 35 7.242 6.762 -6.579 1.00 0.47 C ATOM 251 CG1 ILE A 35 5.803 7.257 -6.378 1.00 0.57 C ATOM 252 CG2 ILE A 35 7.263 5.513 -7.448 1.00 0.61 C ATOM 253 CD1 ILE A 35 5.029 7.446 -7.669 1.00 0.97 C ATOM 0 H ILE A 35 7.877 8.573 -4.978 1.00 0.43 H new ATOM 0 HA ILE A 35 7.219 5.853 -4.637 1.00 0.43 H new ATOM 0 HB ILE A 35 7.815 7.534 -7.093 1.00 0.47 H new ATOM 0 HG12 ILE A 35 5.270 6.545 -5.748 1.00 0.57 H new ATOM 0 HG13 ILE A 35 5.828 8.204 -5.839 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.797 5.730 -8.409 1.00 0.61 H new ATOM 0 HG22 ILE A 35 8.294 5.198 -7.608 1.00 0.61 H new ATOM 0 HG23 ILE A 35 6.713 4.714 -6.950 1.00 0.61 H new ATOM 0 HD11 ILE A 35 4.022 7.797 -7.442 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.537 8.181 -8.294 1.00 0.97 H new ATOM 0 HD13 ILE A 35 4.971 6.496 -8.201 1.00 0.97 H new ATOM 265 N GLU A 36 10.313 6.515 -5.499 1.00 0.51 N ATOM 266 CA GLU A 36 11.647 5.928 -5.526 1.00 0.62 C ATOM 267 C GLU A 36 11.902 5.150 -4.245 1.00 0.63 C ATOM 268 O GLU A 36 12.074 3.934 -4.273 1.00 0.64 O ATOM 269 CB GLU A 36 12.732 6.997 -5.675 1.00 0.79 C ATOM 270 CG GLU A 36 12.723 7.731 -7.001 1.00 0.87 C ATOM 271 CD GLU A 36 13.927 8.636 -7.150 1.00 1.64 C ATOM 272 OE1 GLU A 36 14.974 8.160 -7.638 1.00 2.22 O ATOM 273 OE2 GLU A 36 13.844 9.819 -6.766 1.00 2.42 O ATOM 0 H GLU A 36 10.295 7.531 -5.587 1.00 0.51 H new ATOM 0 HA GLU A 36 11.690 5.263 -6.388 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.618 7.725 -4.872 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.706 6.527 -5.543 1.00 0.79 H new ATOM 0 HG2 GLU A 36 12.708 7.008 -7.817 1.00 0.87 H new ATOM 0 HG3 GLU A 36 11.811 8.323 -7.083 1.00 0.87 H new ATOM 280 N GLU A 37 11.892 5.859 -3.119 1.00 0.68 N ATOM 281 CA GLU A 37 12.208 5.266 -1.822 1.00 0.77 C ATOM 282 C GLU A 37 11.289 4.093 -1.505 1.00 0.71 C ATOM 283 O GLU A 37 11.717 3.107 -0.907 1.00 0.79 O ATOM 284 CB GLU A 37 12.108 6.319 -0.718 1.00 0.91 C ATOM 285 CG GLU A 37 13.165 7.407 -0.819 1.00 1.41 C ATOM 286 CD GLU A 37 14.570 6.873 -0.626 1.00 1.84 C ATOM 287 OE1 GLU A 37 15.134 7.051 0.473 1.00 2.30 O ATOM 288 OE2 GLU A 37 15.119 6.270 -1.570 1.00 2.53 O ATOM 0 H GLU A 37 11.667 6.853 -3.079 1.00 0.68 H new ATOM 0 HA GLU A 37 13.230 4.891 -1.871 1.00 0.77 H new ATOM 0 HB2 GLU A 37 11.120 6.779 -0.754 1.00 0.91 H new ATOM 0 HB3 GLU A 37 12.196 5.827 0.251 1.00 0.91 H new ATOM 0 HG2 GLU A 37 13.094 7.888 -1.794 1.00 1.41 H new ATOM 0 HG3 GLU A 37 12.965 8.173 -0.070 1.00 1.41 H new ATOM 295 N ALA A 38 10.037 4.200 -1.920 1.00 0.61 N ATOM 296 CA ALA A 38 9.067 3.151 -1.672 1.00 0.60 C ATOM 297 C ALA A 38 9.421 1.894 -2.459 1.00 0.54 C ATOM 298 O ALA A 38 9.488 0.796 -1.901 1.00 0.59 O ATOM 299 CB ALA A 38 7.666 3.631 -2.025 1.00 0.60 C ATOM 0 H ALA A 38 9.671 5.004 -2.430 1.00 0.61 H new ATOM 0 HA ALA A 38 9.089 2.904 -0.611 1.00 0.60 H new ATOM 0 HB1 ALA A 38 6.949 2.833 -1.834 1.00 0.60 H new ATOM 0 HB2 ALA A 38 7.414 4.499 -1.415 1.00 0.60 H new ATOM 0 HB3 ALA A 38 7.630 3.906 -3.079 1.00 0.60 H new ATOM 305 N ARG A 39 9.677 2.061 -3.750 1.00 0.49 N ATOM 306 CA ARG A 39 9.955 0.926 -4.616 1.00 0.53 C ATOM 307 C ARG A 39 11.345 0.359 -4.352 1.00 0.56 C ATOM 308 O ARG A 39 11.537 -0.852 -4.396 1.00 0.59 O ATOM 309 CB ARG A 39 9.817 1.305 -6.087 1.00 0.60 C ATOM 310 CG ARG A 39 9.919 0.101 -7.006 1.00 0.88 C ATOM 311 CD ARG A 39 9.772 0.472 -8.468 1.00 0.95 C ATOM 312 NE ARG A 39 9.911 -0.699 -9.330 1.00 1.37 N ATOM 313 CZ ARG A 39 9.667 -0.697 -10.637 1.00 1.97 C ATOM 314 NH1 ARG A 39 9.263 0.415 -11.239 1.00 2.23 N ATOM 315 NH2 ARG A 39 9.834 -1.805 -11.343 1.00 2.73 N ATOM 0 H ARG A 39 9.698 2.967 -4.218 1.00 0.49 H new ATOM 0 HA ARG A 39 9.217 0.157 -4.387 1.00 0.53 H new ATOM 0 HB2 ARG A 39 8.858 1.798 -6.244 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.592 2.025 -6.348 1.00 0.60 H new ATOM 0 HG2 ARG A 39 10.881 -0.388 -6.854 1.00 0.88 H new ATOM 0 HG3 ARG A 39 9.148 -0.622 -6.739 1.00 0.88 H new ATOM 0 HD2 ARG A 39 8.798 0.933 -8.632 1.00 0.95 H new ATOM 0 HD3 ARG A 39 10.525 1.214 -8.735 1.00 0.95 H new ATOM 0 HE ARG A 39 10.215 -1.574 -8.902 1.00 1.37 H new ATOM 0 HH11 ARG A 39 9.139 1.271 -10.699 1.00 2.23 H new ATOM 0 HH12 ARG A 39 9.077 0.413 -12.242 1.00 2.23 H new ATOM 0 HH21 ARG A 39 10.150 -2.659 -10.884 1.00 2.73 H new ATOM 0 HH22 ARG A 39 9.647 -1.804 -12.346 1.00 2.73 H new ATOM 329 N LYS A 40 12.307 1.232 -4.072 1.00 0.59 N ATOM 330 CA LYS A 40 13.669 0.802 -3.754 1.00 0.67 C ATOM 331 C LYS A 40 13.665 -0.166 -2.580 1.00 0.65 C ATOM 332 O LYS A 40 14.451 -1.115 -2.536 1.00 0.71 O ATOM 333 CB LYS A 40 14.547 2.008 -3.430 1.00 0.78 C ATOM 334 CG LYS A 40 14.858 2.874 -4.644 1.00 0.83 C ATOM 335 CD LYS A 40 15.427 4.241 -4.274 1.00 1.29 C ATOM 336 CE LYS A 40 16.724 4.147 -3.486 1.00 1.82 C ATOM 337 NZ LYS A 40 16.489 3.949 -2.030 1.00 2.52 N ATOM 0 H LYS A 40 12.171 2.243 -4.058 1.00 0.59 H new ATOM 0 HA LYS A 40 14.077 0.292 -4.627 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.050 2.618 -2.676 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.483 1.660 -2.992 1.00 0.78 H new ATOM 0 HG2 LYS A 40 15.570 2.351 -5.283 1.00 0.83 H new ATOM 0 HG3 LYS A 40 13.948 3.012 -5.227 1.00 0.83 H new ATOM 0 HD2 LYS A 40 15.601 4.815 -5.184 1.00 1.29 H new ATOM 0 HD3 LYS A 40 14.690 4.789 -3.687 1.00 1.29 H new ATOM 0 HE2 LYS A 40 17.321 3.320 -3.871 1.00 1.82 H new ATOM 0 HE3 LYS A 40 17.305 5.057 -3.637 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 17.335 4.240 -1.499 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 15.676 4.523 -1.728 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 16.292 2.945 -1.844 1.00 2.52 H new ATOM 351 N MET A 41 12.772 0.077 -1.633 1.00 0.64 N ATOM 352 CA MET A 41 12.603 -0.821 -0.506 1.00 0.68 C ATOM 353 C MET A 41 12.038 -2.152 -0.976 1.00 0.63 C ATOM 354 O MET A 41 12.536 -3.215 -0.614 1.00 0.67 O ATOM 355 CB MET A 41 11.678 -0.209 0.545 1.00 0.82 C ATOM 356 CG MET A 41 12.296 0.951 1.302 1.00 0.99 C ATOM 357 SD MET A 41 13.771 0.472 2.226 1.00 1.64 S ATOM 358 CE MET A 41 13.081 -0.723 3.371 1.00 2.61 C ATOM 0 H MET A 41 12.154 0.889 -1.624 1.00 0.64 H new ATOM 0 HA MET A 41 13.581 -0.985 -0.054 1.00 0.68 H new ATOM 0 HB2 MET A 41 10.765 0.132 0.057 1.00 0.82 H new ATOM 0 HB3 MET A 41 11.389 -0.983 1.256 1.00 0.82 H new ATOM 0 HG2 MET A 41 12.554 1.743 0.598 1.00 0.99 H new ATOM 0 HG3 MET A 41 11.559 1.364 1.991 1.00 0.99 H new ATOM 0 HE1 MET A 41 13.763 -0.858 4.211 1.00 2.61 H new ATOM 0 HE2 MET A 41 12.120 -0.362 3.738 1.00 2.61 H new ATOM 0 HE3 MET A 41 12.940 -1.676 2.861 1.00 2.61 H new ATOM 368 N ALA A 42 11.006 -2.078 -1.806 1.00 0.60 N ATOM 369 CA ALA A 42 10.327 -3.264 -2.305 1.00 0.64 C ATOM 370 C ALA A 42 11.245 -4.122 -3.169 1.00 0.61 C ATOM 371 O ALA A 42 11.274 -5.342 -3.025 1.00 0.66 O ATOM 372 CB ALA A 42 9.090 -2.864 -3.091 1.00 0.75 C ATOM 0 H ALA A 42 10.619 -1.199 -2.150 1.00 0.60 H new ATOM 0 HA ALA A 42 10.031 -3.863 -1.444 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.589 -3.759 -3.460 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.411 -2.309 -2.444 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.381 -2.237 -3.934 1.00 0.75 H new ATOM 378 N GLU A 43 11.994 -3.482 -4.059 1.00 0.62 N ATOM 379 CA GLU A 43 12.896 -4.190 -4.964 1.00 0.75 C ATOM 380 C GLU A 43 13.928 -5.003 -4.188 1.00 0.71 C ATOM 381 O GLU A 43 14.182 -6.165 -4.502 1.00 0.79 O ATOM 382 CB GLU A 43 13.617 -3.204 -5.886 1.00 0.93 C ATOM 383 CG GLU A 43 12.697 -2.400 -6.792 1.00 1.33 C ATOM 384 CD GLU A 43 11.934 -3.257 -7.781 1.00 1.88 C ATOM 385 OE1 GLU A 43 12.534 -4.192 -8.352 1.00 2.39 O ATOM 386 OE2 GLU A 43 10.739 -2.985 -8.015 1.00 2.57 O ATOM 0 H GLU A 43 11.995 -2.469 -4.175 1.00 0.62 H new ATOM 0 HA GLU A 43 12.291 -4.870 -5.564 1.00 0.75 H new ATOM 0 HB2 GLU A 43 14.199 -2.514 -5.275 1.00 0.93 H new ATOM 0 HB3 GLU A 43 14.324 -3.756 -6.505 1.00 0.93 H new ATOM 0 HG2 GLU A 43 11.987 -1.846 -6.178 1.00 1.33 H new ATOM 0 HG3 GLU A 43 13.288 -1.665 -7.338 1.00 1.33 H new ATOM 393 N LYS A 44 14.507 -4.392 -3.161 1.00 0.68 N ATOM 394 CA LYS A 44 15.566 -5.034 -2.385 1.00 0.77 C ATOM 395 C LYS A 44 15.002 -5.994 -1.341 1.00 0.69 C ATOM 396 O LYS A 44 15.745 -6.771 -0.739 1.00 0.80 O ATOM 397 CB LYS A 44 16.449 -3.983 -1.703 1.00 0.92 C ATOM 398 CG LYS A 44 17.565 -3.434 -2.586 1.00 1.42 C ATOM 399 CD LYS A 44 17.029 -2.644 -3.770 1.00 1.99 C ATOM 400 CE LYS A 44 18.155 -2.139 -4.656 1.00 2.49 C ATOM 401 NZ LYS A 44 17.654 -1.256 -5.741 1.00 2.98 N ATOM 0 H LYS A 44 14.263 -3.454 -2.845 1.00 0.68 H new ATOM 0 HA LYS A 44 16.171 -5.613 -3.083 1.00 0.77 H new ATOM 0 HB2 LYS A 44 15.821 -3.155 -1.374 1.00 0.92 H new ATOM 0 HB3 LYS A 44 16.891 -4.422 -0.809 1.00 0.92 H new ATOM 0 HG2 LYS A 44 18.215 -2.794 -1.990 1.00 1.42 H new ATOM 0 HG3 LYS A 44 18.177 -4.260 -2.950 1.00 1.42 H new ATOM 0 HD2 LYS A 44 16.358 -3.273 -4.355 1.00 1.99 H new ATOM 0 HD3 LYS A 44 16.441 -1.800 -3.410 1.00 1.99 H new ATOM 0 HE2 LYS A 44 18.878 -1.594 -4.049 1.00 2.49 H new ATOM 0 HE3 LYS A 44 18.681 -2.988 -5.093 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 18.453 -0.933 -6.323 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 16.984 -1.783 -6.336 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 17.174 -0.433 -5.325 1.00 2.98 H new ATOM 415 N ALA A 45 13.697 -5.944 -1.131 1.00 0.61 N ATOM 416 CA ALA A 45 13.047 -6.810 -0.158 1.00 0.64 C ATOM 417 C ALA A 45 12.019 -7.709 -0.831 1.00 0.60 C ATOM 418 O ALA A 45 11.087 -8.179 -0.188 1.00 0.71 O ATOM 419 CB ALA A 45 12.397 -5.983 0.941 1.00 0.76 C ATOM 0 H ALA A 45 13.065 -5.312 -1.622 1.00 0.61 H new ATOM 0 HA ALA A 45 13.809 -7.446 0.293 1.00 0.64 H new ATOM 0 HB1 ALA A 45 11.916 -6.647 1.659 1.00 0.76 H new ATOM 0 HB2 ALA A 45 13.158 -5.390 1.448 1.00 0.76 H new ATOM 0 HB3 ALA A 45 11.651 -5.319 0.504 1.00 0.76 H new ATOM 425 N ASN A 46 12.211 -7.906 -2.141 1.00 0.56 N ATOM 426 CA ASN A 46 11.341 -8.724 -3.013 1.00 0.65 C ATOM 427 C ASN A 46 9.848 -8.576 -2.688 1.00 0.62 C ATOM 428 O ASN A 46 9.105 -9.552 -2.585 1.00 0.80 O ATOM 429 CB ASN A 46 11.795 -10.209 -3.089 1.00 0.83 C ATOM 430 CG ASN A 46 11.346 -11.147 -1.961 1.00 1.46 C ATOM 431 OD1 ASN A 46 11.087 -12.323 -2.207 1.00 2.11 O ATOM 432 ND2 ASN A 46 11.270 -10.671 -0.734 1.00 2.22 N ATOM 0 H ASN A 46 12.996 -7.492 -2.643 1.00 0.56 H new ATOM 0 HA ASN A 46 11.464 -8.317 -4.016 1.00 0.65 H new ATOM 0 HB2 ASN A 46 11.437 -10.622 -4.032 1.00 0.83 H new ATOM 0 HB3 ASN A 46 12.884 -10.226 -3.127 1.00 0.83 H new ATOM 0 HD21 ASN A 46 10.992 -11.282 0.034 1.00 2.22 H new ATOM 0 HD22 ASN A 46 11.489 -9.692 -0.552 1.00 2.22 H new ATOM 439 N LEU A 47 9.412 -7.332 -2.558 1.00 0.48 N ATOM 440 CA LEU A 47 8.010 -7.028 -2.311 1.00 0.48 C ATOM 441 C LEU A 47 7.349 -6.576 -3.607 1.00 0.45 C ATOM 442 O LEU A 47 7.984 -5.922 -4.437 1.00 0.53 O ATOM 443 CB LEU A 47 7.874 -5.926 -1.253 1.00 0.51 C ATOM 444 CG LEU A 47 8.588 -6.189 0.077 1.00 0.58 C ATOM 445 CD1 LEU A 47 8.438 -4.994 1.003 1.00 1.10 C ATOM 446 CD2 LEU A 47 8.042 -7.440 0.746 1.00 1.11 C ATOM 0 H LEU A 47 10.014 -6.511 -2.620 1.00 0.48 H new ATOM 0 HA LEU A 47 7.518 -7.928 -1.942 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.258 -4.996 -1.672 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.814 -5.771 -1.051 1.00 0.51 H new ATOM 0 HG LEU A 47 9.647 -6.344 -0.131 1.00 0.58 H new ATOM 0 HD11 LEU A 47 8.950 -5.196 1.944 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.875 -4.113 0.534 1.00 1.10 H new ATOM 0 HD13 LEU A 47 7.381 -4.815 1.197 1.00 1.10 H new ATOM 0 HD21 LEU A 47 8.564 -7.606 1.688 1.00 1.11 H new ATOM 0 HD22 LEU A 47 6.977 -7.314 0.939 1.00 1.11 H new ATOM 0 HD23 LEU A 47 8.193 -8.298 0.091 1.00 1.11 H new ATOM 458 N GLU A 48 6.086 -6.930 -3.786 1.00 0.43 N ATOM 459 CA GLU A 48 5.343 -6.520 -4.966 1.00 0.47 C ATOM 460 C GLU A 48 4.757 -5.134 -4.746 1.00 0.45 C ATOM 461 O GLU A 48 3.719 -4.989 -4.113 1.00 0.49 O ATOM 462 CB GLU A 48 4.225 -7.529 -5.261 1.00 0.58 C ATOM 463 CG GLU A 48 3.388 -7.190 -6.486 1.00 0.80 C ATOM 464 CD GLU A 48 4.222 -7.074 -7.748 1.00 1.27 C ATOM 465 OE1 GLU A 48 4.679 -5.960 -8.066 1.00 2.13 O ATOM 466 OE2 GLU A 48 4.425 -8.101 -8.433 1.00 1.74 O ATOM 0 H GLU A 48 5.554 -7.501 -3.129 1.00 0.43 H new ATOM 0 HA GLU A 48 6.018 -6.488 -5.822 1.00 0.47 H new ATOM 0 HB2 GLU A 48 4.668 -8.515 -5.399 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.569 -7.592 -4.393 1.00 0.58 H new ATOM 0 HG2 GLU A 48 2.628 -7.959 -6.626 1.00 0.80 H new ATOM 0 HG3 GLU A 48 2.863 -6.250 -6.314 1.00 0.80 H new ATOM 473 N LEU A 49 5.424 -4.118 -5.260 1.00 0.46 N ATOM 474 CA LEU A 49 4.961 -2.755 -5.076 1.00 0.50 C ATOM 475 C LEU A 49 4.452 -2.185 -6.388 1.00 0.45 C ATOM 476 O LEU A 49 5.165 -2.170 -7.394 1.00 0.54 O ATOM 477 CB LEU A 49 6.075 -1.877 -4.493 1.00 0.67 C ATOM 478 CG LEU A 49 5.646 -0.472 -4.050 1.00 0.75 C ATOM 479 CD1 LEU A 49 6.507 0.001 -2.896 1.00 1.49 C ATOM 480 CD2 LEU A 49 5.741 0.517 -5.202 1.00 0.99 C ATOM 0 H LEU A 49 6.282 -4.209 -5.804 1.00 0.46 H new ATOM 0 HA LEU A 49 4.135 -2.765 -4.365 1.00 0.50 H new ATOM 0 HB2 LEU A 49 6.509 -2.392 -3.636 1.00 0.67 H new ATOM 0 HB3 LEU A 49 6.864 -1.779 -5.239 1.00 0.67 H new ATOM 0 HG LEU A 49 4.607 -0.525 -3.725 1.00 0.75 H new ATOM 0 HD11 LEU A 49 6.192 0.999 -2.592 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.399 -0.685 -2.056 1.00 1.49 H new ATOM 0 HD13 LEU A 49 7.551 0.030 -3.209 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.431 1.505 -4.860 1.00 0.99 H new ATOM 0 HD22 LEU A 49 6.770 0.563 -5.558 1.00 0.99 H new ATOM 0 HD23 LEU A 49 5.090 0.193 -6.014 1.00 0.99 H new ATOM 492 N ILE A 50 3.216 -1.719 -6.364 1.00 0.39 N ATOM 493 CA ILE A 50 2.587 -1.146 -7.540 1.00 0.43 C ATOM 494 C ILE A 50 2.177 0.298 -7.269 1.00 0.40 C ATOM 495 O ILE A 50 1.627 0.613 -6.210 1.00 0.37 O ATOM 496 CB ILE A 50 1.359 -1.976 -7.980 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.810 -3.324 -8.556 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.514 -1.207 -8.987 1.00 0.62 C ATOM 499 CD1 ILE A 50 0.667 -4.244 -8.933 1.00 1.31 C ATOM 0 H ILE A 50 2.623 -1.727 -5.534 1.00 0.39 H new ATOM 0 HA ILE A 50 3.314 -1.163 -8.352 1.00 0.43 H new ATOM 0 HB ILE A 50 0.738 -2.166 -7.104 1.00 0.50 H new ATOM 0 HG12 ILE A 50 2.424 -3.144 -9.438 1.00 0.60 H new ATOM 0 HG13 ILE A 50 2.442 -3.827 -7.825 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.343 -1.813 -9.280 1.00 0.62 H new ATOM 0 HG22 ILE A 50 0.165 -0.279 -8.535 1.00 0.62 H new ATOM 0 HG23 ILE A 50 1.115 -0.979 -9.867 1.00 0.62 H new ATOM 0 HD11 ILE A 50 1.067 -5.176 -9.332 1.00 1.31 H new ATOM 0 HD12 ILE A 50 0.064 -4.456 -8.050 1.00 1.31 H new ATOM 0 HD13 ILE A 50 0.046 -3.762 -9.688 1.00 1.31 H new ATOM 511 N THR A 51 2.472 1.171 -8.220 1.00 0.48 N ATOM 512 CA THR A 51 2.149 2.578 -8.101 1.00 0.52 C ATOM 513 C THR A 51 0.691 2.847 -8.470 1.00 0.56 C ATOM 514 O THR A 51 0.246 2.529 -9.575 1.00 0.66 O ATOM 515 CB THR A 51 3.080 3.419 -8.992 1.00 0.63 C ATOM 516 OG1 THR A 51 3.165 2.833 -10.300 1.00 1.19 O ATOM 517 CG2 THR A 51 4.470 3.508 -8.385 1.00 1.20 C ATOM 0 H THR A 51 2.940 0.922 -9.091 1.00 0.48 H new ATOM 0 HA THR A 51 2.295 2.865 -7.060 1.00 0.52 H new ATOM 0 HB THR A 51 2.666 4.424 -9.068 1.00 0.63 H new ATOM 0 HG1 THR A 51 2.277 2.526 -10.579 1.00 1.19 H new ATOM 0 HG21 THR A 51 5.112 4.107 -9.031 1.00 1.20 H new ATOM 0 HG22 THR A 51 4.408 3.974 -7.402 1.00 1.20 H new ATOM 0 HG23 THR A 51 4.889 2.506 -8.286 1.00 1.20 H new ATOM 525 N VAL A 52 -0.047 3.419 -7.534 1.00 0.68 N ATOM 526 CA VAL A 52 -1.449 3.743 -7.743 1.00 0.78 C ATOM 527 C VAL A 52 -1.634 5.252 -7.848 1.00 0.85 C ATOM 528 O VAL A 52 -0.944 6.011 -7.166 1.00 1.66 O ATOM 529 CB VAL A 52 -2.323 3.213 -6.581 1.00 1.35 C ATOM 530 CG1 VAL A 52 -3.755 3.722 -6.695 1.00 1.77 C ATOM 531 CG2 VAL A 52 -2.293 1.693 -6.544 1.00 1.95 C ATOM 0 H VAL A 52 0.306 3.671 -6.611 1.00 0.68 H new ATOM 0 HA VAL A 52 -1.762 3.265 -8.671 1.00 0.78 H new ATOM 0 HB VAL A 52 -1.909 3.590 -5.646 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -4.346 3.334 -5.866 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -3.757 4.812 -6.664 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -4.187 3.385 -7.637 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -2.913 1.337 -5.721 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -2.677 1.298 -7.485 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -1.268 1.353 -6.400 1.00 1.95 H new ATOM 541 N PRO A 53 -2.536 5.709 -8.737 1.00 0.73 N ATOM 542 CA PRO A 53 -2.970 7.106 -8.778 1.00 0.90 C ATOM 543 C PRO A 53 -3.494 7.571 -7.419 1.00 0.88 C ATOM 544 O PRO A 53 -3.856 6.760 -6.571 1.00 1.64 O ATOM 545 CB PRO A 53 -4.096 7.119 -9.823 1.00 1.83 C ATOM 546 CG PRO A 53 -4.445 5.688 -10.049 1.00 2.29 C ATOM 547 CD PRO A 53 -3.189 4.912 -9.787 1.00 1.49 C ATOM 0 HA PRO A 53 -2.151 7.781 -9.027 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -4.958 7.681 -9.464 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -3.768 7.594 -10.748 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -5.246 5.371 -9.381 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -4.797 5.528 -11.068 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -3.402 3.897 -9.453 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -2.569 4.830 -10.680 1.00 1.49 H new ATOM 555 N GLY A 54 -3.539 8.879 -7.244 1.00 1.49 N ATOM 556 CA GLY A 54 -3.838 9.499 -5.956 1.00 2.14 C ATOM 557 C GLY A 54 -5.238 9.235 -5.408 1.00 1.80 C ATOM 558 O GLY A 54 -5.670 9.915 -4.476 1.00 2.08 O ATOM 0 H GLY A 54 -3.369 9.550 -7.993 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -3.109 9.148 -5.226 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -3.701 10.576 -6.051 1.00 2.14 H new ATOM 562 N SER A 55 -5.953 8.276 -5.972 1.00 1.36 N ATOM 563 CA SER A 55 -7.256 7.900 -5.456 1.00 0.97 C ATOM 564 C SER A 55 -7.159 6.632 -4.618 1.00 0.64 C ATOM 565 O SER A 55 -6.613 5.618 -5.061 1.00 0.50 O ATOM 566 CB SER A 55 -8.239 7.678 -6.589 1.00 1.19 C ATOM 567 OG SER A 55 -7.665 6.865 -7.604 1.00 1.75 O ATOM 0 H SER A 55 -5.652 7.744 -6.788 1.00 1.36 H new ATOM 0 HA SER A 55 -7.612 8.717 -4.829 1.00 0.97 H new ATOM 0 HB2 SER A 55 -9.142 7.204 -6.205 1.00 1.19 H new ATOM 0 HB3 SER A 55 -8.537 8.638 -7.011 1.00 1.19 H new ATOM 0 HG SER A 55 -7.017 6.249 -7.202 1.00 1.75 H new ATOM 573 N PRO A 56 -7.719 6.674 -3.406 1.00 0.66 N ATOM 574 CA PRO A 56 -7.621 5.580 -2.434 1.00 0.58 C ATOM 575 C PRO A 56 -8.425 4.336 -2.817 1.00 0.53 C ATOM 576 O PRO A 56 -8.004 3.212 -2.536 1.00 0.62 O ATOM 577 CB PRO A 56 -8.181 6.216 -1.166 1.00 0.70 C ATOM 578 CG PRO A 56 -9.152 7.223 -1.659 1.00 1.09 C ATOM 579 CD PRO A 56 -8.502 7.810 -2.875 1.00 0.87 C ATOM 0 HA PRO A 56 -6.600 5.208 -2.347 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -8.665 5.475 -0.530 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -7.393 6.680 -0.573 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -10.110 6.764 -1.904 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -9.348 7.987 -0.906 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -9.238 8.166 -3.596 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -7.865 8.658 -2.624 1.00 0.87 H new ATOM 587 N GLU A 57 -9.575 4.534 -3.456 1.00 0.62 N ATOM 588 CA GLU A 57 -10.445 3.420 -3.823 1.00 0.80 C ATOM 589 C GLU A 57 -9.763 2.527 -4.858 1.00 0.67 C ATOM 590 O GLU A 57 -9.864 1.299 -4.800 1.00 0.67 O ATOM 591 CB GLU A 57 -11.776 3.938 -4.377 1.00 1.14 C ATOM 592 CG GLU A 57 -12.808 2.847 -4.611 1.00 1.80 C ATOM 593 CD GLU A 57 -13.977 3.314 -5.453 1.00 1.95 C ATOM 594 OE1 GLU A 57 -14.916 3.922 -4.901 1.00 2.06 O ATOM 595 OE2 GLU A 57 -13.967 3.066 -6.678 1.00 2.70 O ATOM 0 H GLU A 57 -9.925 5.452 -3.730 1.00 0.62 H new ATOM 0 HA GLU A 57 -10.642 2.832 -2.926 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -12.187 4.671 -3.683 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -11.590 4.457 -5.317 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -12.329 2.000 -5.101 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -13.178 2.491 -3.649 1.00 1.80 H new ATOM 602 N GLU A 58 -9.052 3.162 -5.786 1.00 0.61 N ATOM 603 CA GLU A 58 -8.345 2.458 -6.852 1.00 0.56 C ATOM 604 C GLU A 58 -7.394 1.413 -6.271 1.00 0.50 C ATOM 605 O GLU A 58 -7.355 0.266 -6.726 1.00 0.54 O ATOM 606 CB GLU A 58 -7.551 3.459 -7.697 1.00 0.62 C ATOM 607 CG GLU A 58 -6.974 2.871 -8.975 1.00 1.18 C ATOM 608 CD GLU A 58 -8.026 2.653 -10.042 1.00 1.57 C ATOM 609 OE1 GLU A 58 -8.702 1.603 -10.016 1.00 2.30 O ATOM 610 OE2 GLU A 58 -8.181 3.534 -10.913 1.00 2.01 O ATOM 0 H GLU A 58 -8.950 4.176 -5.820 1.00 0.61 H new ATOM 0 HA GLU A 58 -9.080 1.952 -7.478 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -8.200 4.296 -7.955 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -6.737 3.861 -7.095 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -6.203 3.537 -9.361 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -6.490 1.921 -8.748 1.00 1.18 H new ATOM 617 N ALA A 59 -6.644 1.819 -5.250 1.00 0.52 N ATOM 618 CA ALA A 59 -5.650 0.957 -4.626 1.00 0.59 C ATOM 619 C ALA A 59 -6.290 -0.251 -3.960 1.00 0.50 C ATOM 620 O ALA A 59 -5.879 -1.384 -4.194 1.00 0.50 O ATOM 621 CB ALA A 59 -4.840 1.736 -3.604 1.00 0.78 C ATOM 0 H ALA A 59 -6.709 2.749 -4.836 1.00 0.52 H new ATOM 0 HA ALA A 59 -4.990 0.598 -5.416 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -4.102 1.078 -3.147 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -4.331 2.564 -4.098 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -5.505 2.126 -2.833 1.00 0.78 H new ATOM 627 N ILE A 60 -7.302 -0.007 -3.138 1.00 0.51 N ATOM 628 CA ILE A 60 -7.923 -1.078 -2.369 1.00 0.52 C ATOM 629 C ILE A 60 -8.618 -2.079 -3.282 1.00 0.50 C ATOM 630 O ILE A 60 -8.536 -3.288 -3.066 1.00 0.52 O ATOM 631 CB ILE A 60 -8.937 -0.538 -1.341 1.00 0.63 C ATOM 632 CG1 ILE A 60 -8.280 0.515 -0.442 1.00 0.79 C ATOM 633 CG2 ILE A 60 -9.494 -1.686 -0.504 1.00 0.74 C ATOM 634 CD1 ILE A 60 -7.087 -0.001 0.330 1.00 1.03 C ATOM 0 H ILE A 60 -7.708 0.916 -2.987 1.00 0.51 H new ATOM 0 HA ILE A 60 -7.118 -1.578 -1.830 1.00 0.52 H new ATOM 0 HB ILE A 60 -9.760 -0.064 -1.875 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -7.966 1.359 -1.056 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -9.022 0.892 0.262 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -10.209 -1.295 0.219 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.992 -2.403 -1.156 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -8.678 -2.181 0.023 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -6.676 0.801 0.943 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -7.398 -0.826 0.972 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -6.326 -0.351 -0.367 1.00 1.03 H new ATOM 646 N ARG A 61 -9.286 -1.580 -4.311 1.00 0.51 N ATOM 647 CA ARG A 61 -9.977 -2.450 -5.250 1.00 0.57 C ATOM 648 C ARG A 61 -8.980 -3.299 -6.028 1.00 0.55 C ATOM 649 O ARG A 61 -9.273 -4.437 -6.387 1.00 0.67 O ATOM 650 CB ARG A 61 -10.860 -1.634 -6.190 1.00 0.63 C ATOM 651 CG ARG A 61 -12.049 -1.006 -5.482 1.00 0.68 C ATOM 652 CD ARG A 61 -12.864 -0.117 -6.407 1.00 0.85 C ATOM 653 NE ARG A 61 -13.513 -0.868 -7.478 1.00 1.75 N ATOM 654 CZ ARG A 61 -14.447 -0.359 -8.283 1.00 2.33 C ATOM 655 NH1 ARG A 61 -14.817 0.913 -8.165 1.00 2.28 N ATOM 656 NH2 ARG A 61 -15.004 -1.124 -9.212 1.00 3.35 N ATOM 0 H ARG A 61 -9.364 -0.584 -4.516 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.622 -3.124 -4.686 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -10.262 -0.849 -6.653 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -11.219 -2.277 -6.994 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -12.688 -1.793 -5.081 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -11.696 -0.419 -4.634 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -13.622 0.408 -5.826 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -12.214 0.642 -6.842 1.00 0.85 H new ATOM 0 HE ARG A 61 -13.236 -1.839 -7.619 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -14.386 1.506 -7.456 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -15.532 1.296 -8.784 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -14.718 -2.098 -9.309 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -15.719 -0.738 -9.829 1.00 3.35 H new ATOM 670 N LEU A 62 -7.789 -2.753 -6.263 1.00 0.47 N ATOM 671 CA LEU A 62 -6.726 -3.518 -6.897 1.00 0.50 C ATOM 672 C LEU A 62 -6.140 -4.511 -5.901 1.00 0.43 C ATOM 673 O LEU A 62 -5.805 -5.638 -6.259 1.00 0.45 O ATOM 674 CB LEU A 62 -5.626 -2.595 -7.426 1.00 0.59 C ATOM 675 CG LEU A 62 -4.494 -3.302 -8.178 1.00 0.69 C ATOM 676 CD1 LEU A 62 -5.024 -3.992 -9.426 1.00 1.22 C ATOM 677 CD2 LEU A 62 -3.395 -2.317 -8.536 1.00 1.03 C ATOM 0 H LEU A 62 -7.540 -1.793 -6.025 1.00 0.47 H new ATOM 0 HA LEU A 62 -7.150 -4.060 -7.742 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -6.079 -1.859 -8.090 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -5.198 -2.047 -6.587 1.00 0.59 H new ATOM 0 HG LEU A 62 -4.072 -4.064 -7.522 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -4.203 -4.487 -9.944 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -5.773 -4.731 -9.143 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -5.476 -3.252 -10.087 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -2.600 -2.837 -9.070 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -3.804 -1.531 -9.171 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -2.992 -1.875 -7.625 1.00 1.03 H new ATOM 689 N ALA A 63 -6.031 -4.085 -4.645 1.00 0.41 N ATOM 690 CA ALA A 63 -5.556 -4.952 -3.571 1.00 0.42 C ATOM 691 C ALA A 63 -6.443 -6.182 -3.451 1.00 0.46 C ATOM 692 O ALA A 63 -5.952 -7.297 -3.280 1.00 0.49 O ATOM 693 CB ALA A 63 -5.522 -4.196 -2.250 1.00 0.49 C ATOM 0 H ALA A 63 -6.267 -3.139 -4.345 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.543 -5.274 -3.812 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -5.165 -4.858 -1.461 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.851 -3.341 -2.337 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -6.525 -3.847 -2.005 1.00 0.49 H new ATOM 699 N GLN A 64 -7.751 -5.964 -3.553 1.00 0.52 N ATOM 700 CA GLN A 64 -8.719 -7.051 -3.530 1.00 0.64 C ATOM 701 C GLN A 64 -8.445 -8.034 -4.665 1.00 0.62 C ATOM 702 O GLN A 64 -8.491 -9.245 -4.468 1.00 0.69 O ATOM 703 CB GLN A 64 -10.146 -6.496 -3.633 1.00 0.77 C ATOM 704 CG GLN A 64 -10.569 -5.683 -2.418 1.00 1.11 C ATOM 705 CD GLN A 64 -11.960 -5.083 -2.551 1.00 1.39 C ATOM 706 OE1 GLN A 64 -12.365 -4.773 -3.772 1.00 1.95 O flip ATOM 707 NE2 GLN A 64 -12.667 -4.900 -1.563 1.00 2.12 N flip ATOM 0 H GLN A 64 -8.165 -5.037 -3.653 1.00 0.52 H new ATOM 0 HA GLN A 64 -8.621 -7.583 -2.584 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -10.221 -5.871 -4.523 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -10.841 -7.325 -3.766 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -10.539 -6.320 -1.534 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -9.849 -4.881 -2.257 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -12.323 -5.151 -0.636 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -13.598 -4.497 -1.670 1.00 2.12 H new ATOM 716 N GLU A 65 -8.133 -7.503 -5.844 1.00 0.58 N ATOM 717 CA GLU A 65 -7.801 -8.336 -6.995 1.00 0.63 C ATOM 718 C GLU A 65 -6.490 -9.080 -6.769 1.00 0.55 C ATOM 719 O GLU A 65 -6.427 -10.295 -6.939 1.00 0.62 O ATOM 720 CB GLU A 65 -7.701 -7.488 -8.265 1.00 0.69 C ATOM 721 CG GLU A 65 -9.010 -6.829 -8.668 1.00 1.24 C ATOM 722 CD GLU A 65 -10.137 -7.827 -8.833 1.00 1.50 C ATOM 723 OE1 GLU A 65 -10.071 -8.664 -9.757 1.00 2.21 O ATOM 724 OE2 GLU A 65 -11.106 -7.768 -8.049 1.00 1.95 O ATOM 0 H GLU A 65 -8.103 -6.500 -6.027 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.601 -9.066 -7.118 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -6.947 -6.715 -8.116 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -7.355 -8.118 -9.085 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -9.289 -6.093 -7.914 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -8.868 -6.289 -9.604 1.00 1.24 H new ATOM 731 N ILE A 66 -5.448 -8.350 -6.377 1.00 0.46 N ATOM 732 CA ILE A 66 -4.136 -8.950 -6.156 1.00 0.46 C ATOM 733 C ILE A 66 -4.205 -10.058 -5.108 1.00 0.43 C ATOM 734 O ILE A 66 -3.638 -11.135 -5.298 1.00 0.48 O ATOM 735 CB ILE A 66 -3.095 -7.891 -5.728 1.00 0.54 C ATOM 736 CG1 ILE A 66 -2.933 -6.839 -6.829 1.00 0.66 C ATOM 737 CG2 ILE A 66 -1.756 -8.550 -5.417 1.00 0.64 C ATOM 738 CD1 ILE A 66 -1.941 -5.749 -6.490 1.00 0.53 C ATOM 0 H ILE A 66 -5.487 -7.345 -6.207 1.00 0.46 H new ATOM 0 HA ILE A 66 -3.820 -9.383 -7.105 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.450 -7.399 -4.823 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -2.616 -7.333 -7.747 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -3.903 -6.385 -7.030 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -1.036 -7.788 -5.118 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -1.883 -9.268 -4.606 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.390 -9.066 -6.304 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -1.881 -5.042 -7.317 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -2.267 -5.228 -5.590 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -0.960 -6.191 -6.318 1.00 0.53 H new ATOM 750 N ALA A 67 -4.913 -9.799 -4.014 1.00 0.44 N ATOM 751 CA ALA A 67 -5.071 -10.785 -2.952 1.00 0.51 C ATOM 752 C ALA A 67 -5.902 -11.971 -3.429 1.00 0.55 C ATOM 753 O ALA A 67 -5.582 -13.125 -3.134 1.00 0.63 O ATOM 754 CB ALA A 67 -5.710 -10.148 -1.728 1.00 0.60 C ATOM 0 H ALA A 67 -5.387 -8.913 -3.840 1.00 0.44 H new ATOM 0 HA ALA A 67 -4.081 -11.152 -2.679 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -5.821 -10.897 -0.944 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.077 -9.337 -1.368 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.690 -9.753 -1.994 1.00 0.60 H new ATOM 760 N GLU A 68 -6.964 -11.672 -4.169 1.00 0.60 N ATOM 761 CA GLU A 68 -7.848 -12.694 -4.718 1.00 0.73 C ATOM 762 C GLU A 68 -7.080 -13.667 -5.603 1.00 0.73 C ATOM 763 O GLU A 68 -7.128 -14.880 -5.406 1.00 0.87 O ATOM 764 CB GLU A 68 -8.950 -12.038 -5.549 1.00 0.83 C ATOM 765 CG GLU A 68 -9.894 -13.028 -6.206 1.00 1.10 C ATOM 766 CD GLU A 68 -10.724 -12.395 -7.299 1.00 1.71 C ATOM 767 OE1 GLU A 68 -10.300 -12.444 -8.476 1.00 2.46 O ATOM 768 OE2 GLU A 68 -11.803 -11.845 -6.993 1.00 2.22 O ATOM 0 H GLU A 68 -7.236 -10.718 -4.405 1.00 0.60 H new ATOM 0 HA GLU A 68 -8.283 -13.242 -3.882 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.527 -11.371 -4.908 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -8.491 -11.421 -6.321 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -9.317 -13.853 -6.623 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -10.556 -13.451 -5.450 1.00 1.10 H new ATOM 775 N LYS A 69 -6.355 -13.117 -6.565 1.00 0.65 N ATOM 776 CA LYS A 69 -5.720 -13.917 -7.604 1.00 0.71 C ATOM 777 C LYS A 69 -4.358 -14.427 -7.152 1.00 0.73 C ATOM 778 O LYS A 69 -3.571 -14.923 -7.962 1.00 0.92 O ATOM 779 CB LYS A 69 -5.574 -13.081 -8.877 1.00 0.73 C ATOM 780 CG LYS A 69 -6.812 -12.257 -9.196 1.00 0.77 C ATOM 781 CD LYS A 69 -6.681 -11.531 -10.521 1.00 1.29 C ATOM 782 CE LYS A 69 -7.878 -10.632 -10.776 1.00 1.73 C ATOM 783 NZ LYS A 69 -9.163 -11.380 -10.744 1.00 2.41 N ATOM 0 H LYS A 69 -6.190 -12.114 -6.649 1.00 0.65 H new ATOM 0 HA LYS A 69 -6.350 -14.783 -7.806 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -4.719 -12.414 -8.770 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -5.359 -13.743 -9.716 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -7.685 -12.909 -9.224 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -6.981 -11.532 -8.400 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -5.768 -10.935 -10.523 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -6.590 -12.257 -11.329 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -7.902 -9.841 -10.026 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -7.766 -10.148 -11.746 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -9.927 -10.773 -11.103 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -9.086 -12.229 -11.340 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -9.376 -11.662 -9.766 1.00 2.41 H new ATOM 797 N ALA A 70 -4.087 -14.309 -5.862 1.00 0.67 N ATOM 798 CA ALA A 70 -2.816 -14.734 -5.307 1.00 0.71 C ATOM 799 C ALA A 70 -2.878 -16.179 -4.845 1.00 0.69 C ATOM 800 O ALA A 70 -3.756 -16.547 -4.064 1.00 0.68 O ATOM 801 CB ALA A 70 -2.423 -13.845 -4.143 1.00 0.78 C ATOM 0 H ALA A 70 -4.736 -13.920 -5.178 1.00 0.67 H new ATOM 0 HA ALA A 70 -2.066 -14.651 -6.093 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -1.467 -14.177 -3.738 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -2.333 -12.814 -4.486 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -3.186 -13.903 -3.367 1.00 0.78 H new ATOM 807 N PRO A 71 -1.954 -17.019 -5.322 1.00 0.84 N ATOM 808 CA PRO A 71 -1.850 -18.394 -4.858 1.00 0.90 C ATOM 809 C PRO A 71 -1.239 -18.456 -3.463 1.00 0.81 C ATOM 810 O PRO A 71 -0.045 -18.199 -3.280 1.00 0.93 O ATOM 811 CB PRO A 71 -0.931 -19.052 -5.888 1.00 1.19 C ATOM 812 CG PRO A 71 -0.100 -17.939 -6.431 1.00 1.34 C ATOM 813 CD PRO A 71 -0.950 -16.698 -6.355 1.00 1.08 C ATOM 0 HA PRO A 71 -2.819 -18.888 -4.778 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -0.310 -19.821 -5.428 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -1.506 -19.537 -6.677 1.00 1.19 H new ATOM 0 HG2 PRO A 71 0.815 -17.819 -5.851 1.00 1.34 H new ATOM 0 HG3 PRO A 71 0.198 -18.143 -7.459 1.00 1.34 H new ATOM 0 HD2 PRO A 71 -0.359 -15.825 -6.080 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -1.420 -16.476 -7.313 1.00 1.08 H new ATOM 821 N GLY A 72 -2.065 -18.769 -2.483 1.00 0.75 N ATOM 822 CA GLY A 72 -1.588 -18.885 -1.124 1.00 0.77 C ATOM 823 C GLY A 72 -1.791 -17.608 -0.332 1.00 0.63 C ATOM 824 O GLY A 72 -2.526 -16.718 -0.765 1.00 0.62 O ATOM 0 H GLY A 72 -3.062 -18.946 -2.604 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -2.108 -19.704 -0.628 1.00 0.77 H new ATOM 0 HA3 GLY A 72 -0.528 -19.139 -1.134 1.00 0.77 H new ATOM 828 N PRO A 73 -1.143 -17.488 0.834 1.00 0.61 N ATOM 829 CA PRO A 73 -1.287 -16.331 1.711 1.00 0.58 C ATOM 830 C PRO A 73 -0.454 -15.141 1.247 1.00 0.48 C ATOM 831 O PRO A 73 0.706 -15.293 0.854 1.00 0.54 O ATOM 832 CB PRO A 73 -0.780 -16.833 3.073 1.00 0.71 C ATOM 833 CG PRO A 73 -0.397 -18.269 2.876 1.00 0.90 C ATOM 834 CD PRO A 73 -0.220 -18.471 1.400 1.00 0.73 C ATOM 0 HA PRO A 73 -2.316 -15.973 1.732 1.00 0.58 H new ATOM 0 HB2 PRO A 73 0.074 -16.246 3.411 1.00 0.71 H new ATOM 0 HB3 PRO A 73 -1.554 -16.738 3.835 1.00 0.71 H new ATOM 0 HG2 PRO A 73 0.524 -18.501 3.411 1.00 0.90 H new ATOM 0 HG3 PRO A 73 -1.168 -18.932 3.267 1.00 0.90 H new ATOM 0 HD2 PRO A 73 0.808 -18.290 1.086 1.00 0.73 H new ATOM 0 HD3 PRO A 73 -0.472 -19.487 1.096 1.00 0.73 H new ATOM 842 N VAL A 74 -1.054 -13.961 1.281 1.00 0.48 N ATOM 843 CA VAL A 74 -0.352 -12.734 0.936 1.00 0.46 C ATOM 844 C VAL A 74 -0.563 -11.674 2.003 1.00 0.44 C ATOM 845 O VAL A 74 -1.462 -11.786 2.835 1.00 0.56 O ATOM 846 CB VAL A 74 -0.801 -12.158 -0.423 1.00 0.62 C ATOM 847 CG1 VAL A 74 -0.294 -13.019 -1.564 1.00 1.50 C ATOM 848 CG2 VAL A 74 -2.315 -12.020 -0.481 1.00 1.31 C ATOM 0 H VAL A 74 -2.030 -13.827 1.545 1.00 0.48 H new ATOM 0 HA VAL A 74 0.703 -12.998 0.868 1.00 0.46 H new ATOM 0 HB VAL A 74 -0.368 -11.163 -0.529 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -0.622 -12.595 -2.513 1.00 1.50 H new ATOM 0 HG12 VAL A 74 0.795 -13.052 -1.538 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -0.691 -14.029 -1.462 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -2.606 -11.612 -1.449 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -2.775 -12.999 -0.347 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -2.650 -11.350 0.311 1.00 1.31 H new ATOM 858 N LYS A 75 0.283 -10.662 1.981 1.00 0.44 N ATOM 859 CA LYS A 75 0.158 -9.532 2.886 1.00 0.52 C ATOM 860 C LYS A 75 0.211 -8.247 2.081 1.00 0.42 C ATOM 861 O LYS A 75 1.205 -7.981 1.412 1.00 0.45 O ATOM 862 CB LYS A 75 1.285 -9.542 3.923 1.00 0.76 C ATOM 863 CG LYS A 75 1.398 -10.842 4.701 1.00 1.20 C ATOM 864 CD LYS A 75 2.548 -10.796 5.693 1.00 1.52 C ATOM 865 CE LYS A 75 2.702 -12.114 6.434 1.00 1.90 C ATOM 866 NZ LYS A 75 1.487 -12.458 7.220 1.00 2.58 N ATOM 0 H LYS A 75 1.073 -10.598 1.339 1.00 0.44 H new ATOM 0 HA LYS A 75 -0.793 -9.602 3.414 1.00 0.52 H new ATOM 0 HB2 LYS A 75 2.231 -9.350 3.418 1.00 0.76 H new ATOM 0 HB3 LYS A 75 1.126 -8.723 4.625 1.00 0.76 H new ATOM 0 HG2 LYS A 75 0.465 -11.033 5.232 1.00 1.20 H new ATOM 0 HG3 LYS A 75 1.546 -11.671 4.008 1.00 1.20 H new ATOM 0 HD2 LYS A 75 3.474 -10.564 5.167 1.00 1.52 H new ATOM 0 HD3 LYS A 75 2.379 -9.993 6.410 1.00 1.52 H new ATOM 0 HE2 LYS A 75 2.908 -12.910 5.718 1.00 1.90 H new ATOM 0 HE3 LYS A 75 3.561 -12.056 7.102 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 1.697 -13.257 7.851 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 1.196 -11.636 7.787 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 0.717 -12.722 6.572 1.00 2.58 H new ATOM 880 N VAL A 76 -0.852 -7.459 2.121 1.00 0.42 N ATOM 881 CA VAL A 76 -0.909 -6.249 1.319 1.00 0.39 C ATOM 882 C VAL A 76 -0.876 -4.998 2.197 1.00 0.38 C ATOM 883 O VAL A 76 -1.644 -4.869 3.152 1.00 0.50 O ATOM 884 CB VAL A 76 -2.172 -6.211 0.433 1.00 0.53 C ATOM 885 CG1 VAL A 76 -2.111 -5.045 -0.543 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.359 -7.527 -0.311 1.00 1.16 C ATOM 0 H VAL A 76 -1.678 -7.633 2.694 1.00 0.42 H new ATOM 0 HA VAL A 76 -0.028 -6.261 0.677 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.034 -6.068 1.084 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -3.011 -5.037 -1.158 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -2.043 -4.109 0.012 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -1.235 -5.152 -1.183 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.256 -7.472 -0.927 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.493 -7.712 -0.946 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -2.462 -8.340 0.408 1.00 1.16 H new ATOM 896 N LEU A 77 0.031 -4.093 1.870 1.00 0.35 N ATOM 897 CA LEU A 77 0.144 -2.815 2.554 1.00 0.41 C ATOM 898 C LEU A 77 -0.189 -1.683 1.593 1.00 0.39 C ATOM 899 O LEU A 77 0.371 -1.604 0.504 1.00 0.43 O ATOM 900 CB LEU A 77 1.563 -2.630 3.103 1.00 0.54 C ATOM 901 CG LEU A 77 1.864 -1.261 3.721 1.00 0.62 C ATOM 902 CD1 LEU A 77 1.032 -1.034 4.974 1.00 0.90 C ATOM 903 CD2 LEU A 77 3.348 -1.137 4.033 1.00 1.35 C ATOM 0 H LEU A 77 0.711 -4.224 1.121 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.560 -2.799 3.386 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.743 -3.396 3.857 1.00 0.54 H new ATOM 0 HB3 LEU A 77 2.272 -2.806 2.294 1.00 0.54 H new ATOM 0 HG LEU A 77 1.595 -0.493 2.996 1.00 0.62 H new ATOM 0 HD11 LEU A 77 1.265 -0.055 5.393 1.00 0.90 H new ATOM 0 HD12 LEU A 77 -0.027 -1.078 4.720 1.00 0.90 H new ATOM 0 HD13 LEU A 77 1.261 -1.807 5.708 1.00 0.90 H new ATOM 0 HD21 LEU A 77 3.547 -0.159 4.472 1.00 1.35 H new ATOM 0 HD22 LEU A 77 3.638 -1.917 4.737 1.00 1.35 H new ATOM 0 HD23 LEU A 77 3.923 -1.246 3.114 1.00 1.35 H new ATOM 915 N VAL A 78 -1.109 -0.822 1.988 1.00 0.37 N ATOM 916 CA VAL A 78 -1.482 0.318 1.167 1.00 0.36 C ATOM 917 C VAL A 78 -1.042 1.610 1.839 1.00 0.36 C ATOM 918 O VAL A 78 -1.303 1.820 3.023 1.00 0.38 O ATOM 919 CB VAL A 78 -3.002 0.357 0.909 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.380 1.544 0.036 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.463 -0.945 0.270 1.00 1.01 C ATOM 0 H VAL A 78 -1.613 -0.889 2.872 1.00 0.37 H new ATOM 0 HA VAL A 78 -0.978 0.215 0.206 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.506 0.474 1.868 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.457 1.546 -0.129 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -3.088 2.469 0.533 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -2.866 1.469 -0.922 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.538 -0.903 0.094 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -2.945 -1.088 -0.678 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.237 -1.777 0.936 1.00 1.01 H new ATOM 931 N LEU A 79 -0.360 2.464 1.091 1.00 0.38 N ATOM 932 CA LEU A 79 0.165 3.708 1.638 1.00 0.40 C ATOM 933 C LEU A 79 -0.458 4.916 0.951 1.00 0.37 C ATOM 934 O LEU A 79 -0.199 5.174 -0.222 1.00 0.41 O ATOM 935 CB LEU A 79 1.689 3.753 1.484 1.00 0.46 C ATOM 936 CG LEU A 79 2.455 2.627 2.181 1.00 0.58 C ATOM 937 CD1 LEU A 79 3.946 2.754 1.913 1.00 1.23 C ATOM 938 CD2 LEU A 79 2.179 2.638 3.677 1.00 1.37 C ATOM 0 H LEU A 79 -0.156 2.319 0.102 1.00 0.38 H new ATOM 0 HA LEU A 79 -0.092 3.744 2.697 1.00 0.40 H new ATOM 0 HB2 LEU A 79 1.930 3.729 0.421 1.00 0.46 H new ATOM 0 HB3 LEU A 79 2.048 4.707 1.871 1.00 0.46 H new ATOM 0 HG LEU A 79 2.111 1.675 1.776 1.00 0.58 H new ATOM 0 HD11 LEU A 79 4.476 1.945 2.416 1.00 1.23 H new ATOM 0 HD12 LEU A 79 4.129 2.696 0.840 1.00 1.23 H new ATOM 0 HD13 LEU A 79 4.303 3.712 2.291 1.00 1.23 H new ATOM 0 HD21 LEU A 79 2.733 1.830 4.155 1.00 1.37 H new ATOM 0 HD22 LEU A 79 2.494 3.593 4.098 1.00 1.37 H new ATOM 0 HD23 LEU A 79 1.112 2.499 3.851 1.00 1.37 H new ATOM 950 N ILE A 80 -1.283 5.648 1.684 1.00 0.41 N ATOM 951 CA ILE A 80 -1.896 6.864 1.162 1.00 0.43 C ATOM 952 C ILE A 80 -1.045 8.069 1.539 1.00 0.41 C ATOM 953 O ILE A 80 -0.713 8.256 2.707 1.00 0.42 O ATOM 954 CB ILE A 80 -3.333 7.055 1.695 1.00 0.54 C ATOM 955 CG1 ILE A 80 -4.199 5.849 1.325 1.00 1.23 C ATOM 956 CG2 ILE A 80 -3.941 8.339 1.141 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.615 5.929 1.855 1.00 1.40 C ATOM 0 H ILE A 80 -1.545 5.422 2.644 1.00 0.41 H new ATOM 0 HA ILE A 80 -1.952 6.771 0.077 1.00 0.43 H new ATOM 0 HB ILE A 80 -3.294 7.135 2.781 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -4.232 5.756 0.239 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -3.728 4.944 1.708 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -4.954 8.458 1.527 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -3.334 9.191 1.447 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -3.971 8.287 0.053 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -6.168 5.039 1.552 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.593 5.990 2.943 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -6.105 6.815 1.452 1.00 1.40 H new ATOM 969 N THR A 81 -0.682 8.874 0.552 1.00 0.60 N ATOM 970 CA THR A 81 0.222 9.990 0.782 1.00 0.69 C ATOM 971 C THR A 81 -0.527 11.307 0.964 1.00 0.79 C ATOM 972 O THR A 81 -1.430 11.634 0.192 1.00 1.20 O ATOM 973 CB THR A 81 1.210 10.133 -0.385 1.00 1.13 C ATOM 974 OG1 THR A 81 1.805 8.860 -0.663 1.00 2.07 O ATOM 975 CG2 THR A 81 2.298 11.151 -0.061 1.00 1.92 C ATOM 0 H THR A 81 -0.998 8.776 -0.413 1.00 0.60 H new ATOM 0 HA THR A 81 0.763 9.772 1.703 1.00 0.69 H new ATOM 0 HB THR A 81 0.664 10.486 -1.260 1.00 1.13 H new ATOM 0 HG1 THR A 81 1.125 8.253 -1.024 1.00 2.07 H new ATOM 0 HG21 THR A 81 2.983 11.232 -0.905 1.00 1.92 H new ATOM 0 HG22 THR A 81 1.842 12.122 0.131 1.00 1.92 H new ATOM 0 HG23 THR A 81 2.847 10.827 0.823 1.00 1.92 H new ATOM 983 N GLY A 82 -0.146 12.048 1.995 1.00 0.73 N ATOM 984 CA GLY A 82 -0.661 13.388 2.185 1.00 1.09 C ATOM 985 C GLY A 82 -1.991 13.415 2.907 1.00 0.92 C ATOM 986 O GLY A 82 -2.290 12.536 3.716 1.00 1.03 O ATOM 0 H GLY A 82 0.516 11.741 2.708 1.00 0.73 H new ATOM 0 HA2 GLY A 82 0.065 13.973 2.750 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -0.772 13.870 1.213 1.00 1.09 H new ATOM 990 N SER A 83 -2.781 14.431 2.611 1.00 1.03 N ATOM 991 CA SER A 83 -4.076 14.602 3.237 1.00 1.19 C ATOM 992 C SER A 83 -5.170 14.033 2.338 1.00 1.10 C ATOM 993 O SER A 83 -5.131 14.194 1.116 1.00 1.22 O ATOM 994 CB SER A 83 -4.321 16.091 3.516 1.00 1.61 C ATOM 995 OG SER A 83 -5.516 16.296 4.250 1.00 2.22 O ATOM 0 H SER A 83 -2.544 15.156 1.934 1.00 1.03 H new ATOM 0 HA SER A 83 -4.096 14.062 4.183 1.00 1.19 H new ATOM 0 HB2 SER A 83 -3.478 16.501 4.072 1.00 1.61 H new ATOM 0 HB3 SER A 83 -4.375 16.634 2.573 1.00 1.61 H new ATOM 0 HG SER A 83 -5.640 17.255 4.412 1.00 2.22 H new ATOM 1001 N ALA A 84 -6.123 13.346 2.942 1.00 1.02 N ATOM 1002 CA ALA A 84 -7.238 12.773 2.207 1.00 0.95 C ATOM 1003 C ALA A 84 -8.474 13.648 2.353 1.00 0.97 C ATOM 1004 O ALA A 84 -8.834 14.038 3.467 1.00 1.13 O ATOM 1005 CB ALA A 84 -7.521 11.363 2.703 1.00 0.97 C ATOM 0 H ALA A 84 -6.147 13.170 3.946 1.00 1.02 H new ATOM 0 HA ALA A 84 -6.975 12.725 1.150 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -8.358 10.943 2.146 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -6.638 10.741 2.555 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -7.770 11.394 3.764 1.00 0.97 H new ATOM 1011 N ASP A 85 -9.113 13.966 1.233 1.00 0.89 N ATOM 1012 CA ASP A 85 -10.356 14.732 1.255 1.00 0.93 C ATOM 1013 C ASP A 85 -11.454 13.921 1.930 1.00 0.81 C ATOM 1014 O ASP A 85 -11.351 12.698 1.994 1.00 0.71 O ATOM 1015 CB ASP A 85 -10.803 15.112 -0.164 1.00 1.02 C ATOM 1016 CG ASP A 85 -10.140 16.368 -0.684 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -9.265 16.263 -1.567 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -10.504 17.473 -0.225 1.00 1.92 O ATOM 0 H ASP A 85 -8.793 13.707 0.300 1.00 0.89 H new ATOM 0 HA ASP A 85 -10.174 15.648 1.816 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -10.582 14.286 -0.840 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -11.884 15.250 -0.172 1.00 1.02 H new ATOM 1023 N PRO A 86 -12.511 14.575 2.444 1.00 0.92 N ATOM 1024 CA PRO A 86 -13.620 13.893 3.115 1.00 0.95 C ATOM 1025 C PRO A 86 -14.096 12.671 2.335 1.00 0.85 C ATOM 1026 O PRO A 86 -14.229 11.580 2.891 1.00 0.88 O ATOM 1027 CB PRO A 86 -14.728 14.959 3.177 1.00 1.11 C ATOM 1028 CG PRO A 86 -14.209 16.139 2.417 1.00 1.30 C ATOM 1029 CD PRO A 86 -12.713 16.023 2.425 1.00 1.11 C ATOM 0 HA PRO A 86 -13.330 13.516 4.096 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -15.653 14.587 2.736 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -14.953 15.228 4.209 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -14.593 16.143 1.397 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -14.529 17.072 2.882 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -12.265 16.484 1.545 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -12.273 16.506 3.297 1.00 1.11 H new ATOM 1037 N ASP A 87 -14.313 12.859 1.039 1.00 0.82 N ATOM 1038 CA ASP A 87 -14.755 11.783 0.159 1.00 0.86 C ATOM 1039 C ASP A 87 -13.726 10.662 0.109 1.00 0.74 C ATOM 1040 O ASP A 87 -14.061 9.491 0.281 1.00 0.79 O ATOM 1041 CB ASP A 87 -14.992 12.321 -1.252 1.00 1.02 C ATOM 1042 CG ASP A 87 -16.023 13.427 -1.279 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -17.214 13.129 -1.506 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -15.646 14.599 -1.064 1.00 2.21 O ATOM 0 H ASP A 87 -14.189 13.756 0.570 1.00 0.82 H new ATOM 0 HA ASP A 87 -15.687 11.383 0.558 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -14.052 12.694 -1.659 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -15.319 11.507 -1.899 1.00 1.02 H new ATOM 1049 N GLU A 88 -12.469 11.037 -0.109 1.00 0.68 N ATOM 1050 CA GLU A 88 -11.376 10.076 -0.208 1.00 0.67 C ATOM 1051 C GLU A 88 -11.220 9.311 1.099 1.00 0.55 C ATOM 1052 O GLU A 88 -11.025 8.097 1.103 1.00 0.54 O ATOM 1053 CB GLU A 88 -10.069 10.796 -0.542 1.00 0.80 C ATOM 1054 CG GLU A 88 -10.160 11.681 -1.772 1.00 1.02 C ATOM 1055 CD GLU A 88 -8.863 12.404 -2.069 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -8.160 12.804 -1.115 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -8.548 12.594 -3.262 1.00 2.32 O ATOM 0 H GLU A 88 -12.181 12.009 -0.221 1.00 0.68 H new ATOM 0 HA GLU A 88 -11.610 9.370 -1.005 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -9.771 11.404 0.312 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -9.284 10.055 -0.695 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -10.437 11.072 -2.633 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -10.955 12.413 -1.630 1.00 1.02 H new ATOM 1064 N LYS A 89 -11.319 10.036 2.203 1.00 0.57 N ATOM 1065 CA LYS A 89 -11.196 9.451 3.529 1.00 0.62 C ATOM 1066 C LYS A 89 -12.358 8.501 3.803 1.00 0.59 C ATOM 1067 O LYS A 89 -12.175 7.442 4.399 1.00 0.64 O ATOM 1068 CB LYS A 89 -11.147 10.558 4.586 1.00 0.77 C ATOM 1069 CG LYS A 89 -10.875 10.056 5.994 1.00 1.34 C ATOM 1070 CD LYS A 89 -10.728 11.210 6.972 1.00 1.77 C ATOM 1071 CE LYS A 89 -10.439 10.714 8.377 1.00 2.39 C ATOM 1072 NZ LYS A 89 -10.218 11.834 9.328 1.00 2.81 N ATOM 0 H LYS A 89 -11.486 11.042 2.205 1.00 0.57 H new ATOM 0 HA LYS A 89 -10.269 8.879 3.577 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -10.373 11.275 4.311 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -12.096 11.095 4.580 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -11.689 9.406 6.315 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -9.966 9.454 5.999 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -9.922 11.866 6.644 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -11.642 11.804 6.975 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -11.272 10.103 8.724 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -9.558 10.073 8.361 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -10.024 11.452 10.276 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -9.407 12.403 9.012 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -11.068 12.432 9.363 1.00 2.81 H new ATOM 1086 N THR A 90 -13.547 8.878 3.344 1.00 0.62 N ATOM 1087 CA THR A 90 -14.723 8.030 3.484 1.00 0.69 C ATOM 1088 C THR A 90 -14.533 6.734 2.695 1.00 0.62 C ATOM 1089 O THR A 90 -14.849 5.645 3.182 1.00 0.69 O ATOM 1090 CB THR A 90 -15.998 8.755 2.997 1.00 0.86 C ATOM 1091 OG1 THR A 90 -16.144 10.006 3.685 1.00 1.33 O ATOM 1092 CG2 THR A 90 -17.236 7.902 3.231 1.00 1.17 C ATOM 0 H THR A 90 -13.721 9.765 2.872 1.00 0.62 H new ATOM 0 HA THR A 90 -14.845 7.798 4.542 1.00 0.69 H new ATOM 0 HB THR A 90 -15.896 8.933 1.927 1.00 0.86 H new ATOM 0 HG1 THR A 90 -15.702 10.715 3.173 1.00 1.33 H new ATOM 0 HG21 THR A 90 -18.118 8.437 2.879 1.00 1.17 H new ATOM 0 HG22 THR A 90 -17.139 6.963 2.686 1.00 1.17 H new ATOM 0 HG23 THR A 90 -17.339 7.694 4.296 1.00 1.17 H new ATOM 1100 N LYS A 91 -13.996 6.858 1.485 1.00 0.57 N ATOM 1101 CA LYS A 91 -13.698 5.695 0.660 1.00 0.64 C ATOM 1102 C LYS A 91 -12.652 4.816 1.330 1.00 0.63 C ATOM 1103 O LYS A 91 -12.822 3.605 1.419 1.00 0.73 O ATOM 1104 CB LYS A 91 -13.205 6.116 -0.727 1.00 0.73 C ATOM 1105 CG LYS A 91 -14.285 6.717 -1.612 1.00 1.06 C ATOM 1106 CD LYS A 91 -15.441 5.748 -1.811 1.00 1.51 C ATOM 1107 CE LYS A 91 -16.433 6.264 -2.838 1.00 1.83 C ATOM 1108 NZ LYS A 91 -15.849 6.308 -4.203 1.00 2.41 N ATOM 0 H LYS A 91 -13.759 7.752 1.055 1.00 0.57 H new ATOM 0 HA LYS A 91 -14.621 5.127 0.545 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -12.400 6.842 -0.610 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -12.780 5.247 -1.229 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -14.654 7.639 -1.163 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -13.859 6.982 -2.580 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -15.054 4.781 -2.132 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -15.950 5.588 -0.861 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -17.316 5.625 -2.842 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -16.764 7.263 -2.553 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -16.611 6.246 -4.909 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -15.331 7.201 -4.330 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -15.196 5.508 -4.327 1.00 2.41 H new ATOM 1122 N ALA A 92 -11.590 5.438 1.828 1.00 0.58 N ATOM 1123 CA ALA A 92 -10.491 4.708 2.442 1.00 0.67 C ATOM 1124 C ALA A 92 -10.949 4.024 3.719 1.00 0.68 C ATOM 1125 O ALA A 92 -10.435 2.970 4.086 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.325 5.644 2.728 1.00 0.74 C ATOM 0 H ALA A 92 -11.468 6.451 1.818 1.00 0.58 H new ATOM 0 HA ALA A 92 -10.156 3.941 1.744 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -8.512 5.082 3.187 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -8.978 6.088 1.795 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -9.650 6.433 3.407 1.00 0.74 H new ATOM 1132 N LYS A 93 -11.917 4.632 4.389 1.00 0.64 N ATOM 1133 CA LYS A 93 -12.464 4.074 5.612 1.00 0.71 C ATOM 1134 C LYS A 93 -13.220 2.781 5.322 1.00 0.70 C ATOM 1135 O LYS A 93 -12.938 1.738 5.914 1.00 0.79 O ATOM 1136 CB LYS A 93 -13.386 5.087 6.298 1.00 0.80 C ATOM 1137 CG LYS A 93 -14.037 4.558 7.565 1.00 1.09 C ATOM 1138 CD LYS A 93 -14.917 5.609 8.221 1.00 1.56 C ATOM 1139 CE LYS A 93 -15.634 5.056 9.441 1.00 2.00 C ATOM 1140 NZ LYS A 93 -14.685 4.524 10.454 1.00 2.44 N ATOM 0 H LYS A 93 -12.340 5.515 4.103 1.00 0.64 H new ATOM 0 HA LYS A 93 -11.636 3.846 6.284 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -12.812 5.981 6.541 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -14.165 5.388 5.598 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -14.635 3.678 7.328 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -13.265 4.239 8.266 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -14.307 6.464 8.513 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -15.650 5.972 7.501 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -16.241 5.841 9.891 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -16.316 4.264 9.132 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -15.195 4.330 11.339 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -14.257 3.644 10.101 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -13.938 5.225 10.632 1.00 2.44 H new ATOM 1154 N LYS A 94 -14.167 2.852 4.393 1.00 0.66 N ATOM 1155 CA LYS A 94 -14.977 1.689 4.040 1.00 0.71 C ATOM 1156 C LYS A 94 -14.131 0.632 3.345 1.00 0.67 C ATOM 1157 O LYS A 94 -14.292 -0.568 3.587 1.00 0.74 O ATOM 1158 CB LYS A 94 -16.139 2.094 3.130 1.00 0.78 C ATOM 1159 CG LYS A 94 -17.107 3.075 3.770 1.00 1.36 C ATOM 1160 CD LYS A 94 -18.317 3.314 2.880 1.00 1.79 C ATOM 1161 CE LYS A 94 -19.306 4.274 3.522 1.00 2.57 C ATOM 1162 NZ LYS A 94 -19.805 3.772 4.831 1.00 2.85 N ATOM 0 H LYS A 94 -14.393 3.699 3.872 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.378 1.271 4.964 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -15.737 2.537 2.219 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -16.686 1.199 2.835 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -17.433 2.690 4.736 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -16.599 4.021 3.959 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -17.990 3.716 1.921 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -18.812 2.364 2.676 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -18.829 5.244 3.664 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -20.149 4.429 2.849 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -20.628 4.334 5.128 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -20.083 2.774 4.737 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -19.053 3.856 5.545 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.228 1.085 2.487 1.00 0.60 N ATOM 1177 CA ALA A 95 -12.369 0.190 1.731 1.00 0.60 C ATOM 1178 C ALA A 95 -11.448 -0.602 2.651 1.00 0.57 C ATOM 1179 O ALA A 95 -11.298 -1.808 2.492 1.00 0.57 O ATOM 1180 CB ALA A 95 -11.569 0.977 0.708 1.00 0.63 C ATOM 0 H ALA A 95 -13.072 2.075 2.297 1.00 0.60 H new ATOM 0 HA ALA A 95 -12.999 -0.527 1.205 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -10.928 0.297 0.146 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -12.251 1.482 0.023 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -10.953 1.717 1.219 1.00 0.63 H new ATOM 1186 N ALA A 96 -10.848 0.075 3.628 1.00 0.57 N ATOM 1187 CA ALA A 96 -9.954 -0.584 4.579 1.00 0.58 C ATOM 1188 C ALA A 96 -10.719 -1.572 5.452 1.00 0.56 C ATOM 1189 O ALA A 96 -10.196 -2.622 5.821 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.242 0.442 5.446 1.00 0.64 C ATOM 0 H ALA A 96 -10.964 1.077 3.782 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.207 -1.137 4.009 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -8.582 -0.069 6.147 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -8.655 1.108 4.814 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -9.978 1.024 6.000 1.00 0.64 H new ATOM 1196 N GLU A 97 -11.963 -1.227 5.766 1.00 0.57 N ATOM 1197 CA GLU A 97 -12.828 -2.091 6.558 1.00 0.63 C ATOM 1198 C GLU A 97 -13.005 -3.427 5.838 1.00 0.55 C ATOM 1199 O GLU A 97 -12.889 -4.494 6.437 1.00 0.58 O ATOM 1200 CB GLU A 97 -14.183 -1.400 6.772 1.00 0.80 C ATOM 1201 CG GLU A 97 -14.886 -1.756 8.077 1.00 1.46 C ATOM 1202 CD GLU A 97 -15.459 -3.157 8.096 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -14.917 -4.016 8.819 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -16.469 -3.403 7.401 1.00 2.39 O ATOM 0 H GLU A 97 -12.396 -0.349 5.481 1.00 0.57 H new ATOM 0 HA GLU A 97 -12.378 -2.279 7.533 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -14.033 -0.321 6.740 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -14.840 -1.656 5.941 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -14.180 -1.650 8.901 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -15.690 -1.041 8.253 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.249 -3.352 4.537 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.373 -4.540 3.703 1.00 0.57 C ATOM 1213 C GLU A 98 -12.012 -5.213 3.525 1.00 0.52 C ATOM 1214 O GLU A 98 -11.875 -6.422 3.719 1.00 0.60 O ATOM 1215 CB GLU A 98 -13.959 -4.154 2.341 1.00 0.66 C ATOM 1216 CG GLU A 98 -14.059 -5.303 1.346 1.00 1.40 C ATOM 1217 CD GLU A 98 -14.928 -6.444 1.834 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -14.554 -7.616 1.616 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -15.987 -6.176 2.444 1.00 2.66 O ATOM 0 H GLU A 98 -13.366 -2.473 4.033 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.042 -5.248 4.192 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -14.954 -3.735 2.494 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -13.344 -3.366 1.906 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -14.461 -4.926 0.405 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -13.058 -5.681 1.137 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.008 -4.406 3.196 1.00 0.46 N ATOM 1227 CA ALA A 99 -9.666 -4.897 2.894 1.00 0.49 C ATOM 1228 C ALA A 99 -9.044 -5.655 4.065 1.00 0.46 C ATOM 1229 O ALA A 99 -8.158 -6.486 3.871 1.00 0.50 O ATOM 1230 CB ALA A 99 -8.773 -3.740 2.474 1.00 0.58 C ATOM 0 H ALA A 99 -11.101 -3.392 3.131 1.00 0.46 H new ATOM 0 HA ALA A 99 -9.755 -5.606 2.071 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -7.774 -4.114 2.250 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -9.189 -3.263 1.587 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -8.715 -3.012 3.284 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.510 -5.373 5.277 1.00 0.47 N ATOM 1237 CA ARG A 100 -9.043 -6.082 6.465 1.00 0.53 C ATOM 1238 C ARG A 100 -9.235 -7.592 6.303 1.00 0.51 C ATOM 1239 O ARG A 100 -8.403 -8.386 6.742 1.00 0.56 O ATOM 1240 CB ARG A 100 -9.793 -5.599 7.710 1.00 0.64 C ATOM 1241 CG ARG A 100 -9.331 -6.267 8.995 1.00 1.22 C ATOM 1242 CD ARG A 100 -10.168 -5.835 10.187 1.00 1.52 C ATOM 1243 NE ARG A 100 -9.725 -6.469 11.428 1.00 2.17 N ATOM 1244 CZ ARG A 100 -10.406 -6.426 12.574 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -11.571 -5.793 12.636 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -9.925 -7.029 13.653 1.00 3.77 N ATOM 0 H ARG A 100 -10.212 -4.657 5.464 1.00 0.47 H new ATOM 0 HA ARG A 100 -7.980 -5.871 6.586 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -9.666 -4.521 7.805 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -10.859 -5.784 7.577 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -9.389 -7.350 8.883 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -8.285 -6.021 9.177 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -10.114 -4.752 10.294 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -11.213 -6.085 10.005 1.00 1.52 H new ATOM 0 HE ARG A 100 -8.840 -6.976 11.417 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -11.949 -5.337 11.805 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -12.089 -5.762 13.514 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -9.035 -7.525 13.606 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -10.445 -6.997 14.530 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.319 -7.974 5.640 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.650 -9.383 5.446 1.00 0.58 C ATOM 1262 C LYS A 101 -9.838 -9.982 4.303 1.00 0.63 C ATOM 1263 O LYS A 101 -9.811 -11.198 4.115 1.00 0.81 O ATOM 1264 CB LYS A 101 -12.144 -9.537 5.166 1.00 0.74 C ATOM 1265 CG LYS A 101 -13.022 -9.090 6.323 1.00 1.37 C ATOM 1266 CD LYS A 101 -14.493 -9.064 5.940 1.00 1.81 C ATOM 1267 CE LYS A 101 -14.767 -8.035 4.857 1.00 2.63 C ATOM 1268 NZ LYS A 101 -16.216 -7.901 4.561 1.00 3.24 N ATOM 0 H LYS A 101 -10.988 -7.325 5.225 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.400 -9.921 6.360 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -12.402 -8.958 4.279 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -12.358 -10.581 4.939 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -12.879 -9.763 7.169 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -12.714 -8.097 6.650 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -14.797 -10.051 5.591 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -15.095 -8.837 6.820 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -14.371 -7.068 5.169 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -14.237 -8.318 3.947 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -16.359 -7.141 3.866 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -16.576 -8.797 4.174 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -16.729 -7.671 5.436 1.00 3.24 H new ATOM 1282 N TRP A 102 -9.176 -9.119 3.546 1.00 0.57 N ATOM 1283 CA TRP A 102 -8.329 -9.550 2.443 1.00 0.71 C ATOM 1284 C TRP A 102 -6.866 -9.521 2.869 1.00 0.64 C ATOM 1285 O TRP A 102 -5.961 -9.635 2.041 1.00 0.73 O ATOM 1286 CB TRP A 102 -8.536 -8.649 1.221 1.00 0.84 C ATOM 1287 CG TRP A 102 -9.935 -8.669 0.681 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -11.006 -7.970 1.155 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -10.410 -9.420 -0.440 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -12.119 -8.242 0.402 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -11.779 -9.129 -0.587 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -9.812 -10.312 -1.334 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -12.558 -9.696 -1.591 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -10.586 -10.875 -2.331 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -11.946 -10.565 -2.452 1.00 2.21 C ATOM 0 H TRP A 102 -9.210 -8.108 3.677 1.00 0.57 H new ATOM 0 HA TRP A 102 -8.603 -10.570 2.172 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -8.275 -7.625 1.488 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -7.849 -8.958 0.433 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -10.981 -7.299 2.001 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -13.048 -7.849 0.553 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -8.764 -10.557 -1.247 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -13.607 -9.459 -1.687 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -10.134 -11.565 -3.028 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -12.524 -11.022 -3.242 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.658 -9.362 4.178 1.00 0.56 N ATOM 1307 CA ASN A 103 -5.323 -9.295 4.776 1.00 0.64 C ATOM 1308 C ASN A 103 -4.567 -8.073 4.251 1.00 0.56 C ATOM 1309 O ASN A 103 -3.381 -8.141 3.915 1.00 0.70 O ATOM 1310 CB ASN A 103 -4.530 -10.583 4.503 1.00 0.89 C ATOM 1311 CG ASN A 103 -3.432 -10.821 5.525 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -2.252 -10.284 5.273 1.00 1.58 O flip ATOM 1313 ND2 ASN A 103 -3.647 -11.478 6.543 1.00 2.00 N flip ATOM 0 H ASN A 103 -7.415 -9.276 4.856 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.437 -9.196 5.855 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -5.213 -11.433 4.504 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -4.089 -10.530 3.508 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -4.571 -11.879 6.706 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -2.901 -11.622 7.224 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.276 -6.957 4.175 1.00 0.46 N ATOM 1321 CA VAL A 104 -4.706 -5.704 3.706 1.00 0.45 C ATOM 1322 C VAL A 104 -4.762 -4.661 4.815 1.00 0.48 C ATOM 1323 O VAL A 104 -5.773 -4.547 5.508 1.00 0.63 O ATOM 1324 CB VAL A 104 -5.479 -5.159 2.485 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -4.773 -3.953 1.884 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -5.697 -6.243 1.437 1.00 0.99 C ATOM 0 H VAL A 104 -6.260 -6.895 4.436 1.00 0.46 H new ATOM 0 HA VAL A 104 -3.673 -5.899 3.417 1.00 0.45 H new ATOM 0 HB VAL A 104 -6.459 -4.835 2.834 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -5.339 -3.590 1.026 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -4.701 -3.163 2.632 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -3.772 -4.240 1.563 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -6.244 -5.827 0.591 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -4.732 -6.619 1.096 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.271 -7.060 1.873 1.00 0.99 H new ATOM 1336 N ARG A 105 -3.683 -3.908 4.992 1.00 0.45 N ATOM 1337 CA ARG A 105 -3.684 -2.821 5.960 1.00 0.48 C ATOM 1338 C ARG A 105 -3.279 -1.512 5.286 1.00 0.44 C ATOM 1339 O ARG A 105 -2.345 -1.476 4.480 1.00 0.51 O ATOM 1340 CB ARG A 105 -2.774 -3.130 7.158 1.00 0.59 C ATOM 1341 CG ARG A 105 -1.285 -3.137 6.850 1.00 1.28 C ATOM 1342 CD ARG A 105 -0.472 -3.343 8.120 1.00 1.72 C ATOM 1343 NE ARG A 105 0.958 -3.092 7.920 1.00 2.38 N ATOM 1344 CZ ARG A 105 1.754 -2.562 8.855 1.00 3.11 C ATOM 1345 NH1 ARG A 105 1.260 -2.237 10.044 1.00 3.33 N ATOM 1346 NH2 ARG A 105 3.044 -2.359 8.604 1.00 4.06 N ATOM 0 H ARG A 105 -2.807 -4.028 4.484 1.00 0.45 H new ATOM 0 HA ARG A 105 -4.698 -2.714 6.346 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -2.965 -2.394 7.939 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -3.050 -4.103 7.563 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -1.060 -3.930 6.136 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -1.002 -2.195 6.380 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -0.848 -2.680 8.899 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -0.612 -4.364 8.475 1.00 1.72 H new ATOM 0 HE ARG A 105 1.369 -3.335 7.018 1.00 2.38 H new ATOM 0 HH11 ARG A 105 0.272 -2.391 10.245 1.00 3.33 H new ATOM 0 HH12 ARG A 105 1.868 -1.833 10.756 1.00 3.33 H new ATOM 0 HH21 ARG A 105 3.432 -2.608 7.694 1.00 4.06 H new ATOM 0 HH22 ARG A 105 3.646 -1.954 9.321 1.00 4.06 H new ATOM 1360 N VAL A 106 -3.997 -0.446 5.606 1.00 0.47 N ATOM 1361 CA VAL A 106 -3.773 0.850 4.981 1.00 0.48 C ATOM 1362 C VAL A 106 -3.131 1.818 5.965 1.00 0.50 C ATOM 1363 O VAL A 106 -3.616 1.989 7.085 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.094 1.462 4.464 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -4.828 2.723 3.656 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -5.872 0.446 3.643 1.00 1.58 C ATOM 0 H VAL A 106 -4.745 -0.453 6.300 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.104 0.688 4.136 1.00 0.48 H new ATOM 0 HB VAL A 106 -5.701 1.738 5.326 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -5.773 3.135 3.303 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -4.324 3.458 4.284 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -4.196 2.481 2.801 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -6.799 0.897 3.289 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -5.272 0.132 2.789 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -6.104 -0.421 4.262 1.00 1.58 H new ATOM 1376 N ARG A 107 -2.041 2.447 5.551 1.00 0.46 N ATOM 1377 CA ARG A 107 -1.358 3.420 6.389 1.00 0.58 C ATOM 1378 C ARG A 107 -1.144 4.721 5.626 1.00 0.49 C ATOM 1379 O ARG A 107 -1.038 4.721 4.399 1.00 0.48 O ATOM 1380 CB ARG A 107 -0.016 2.876 6.879 1.00 0.74 C ATOM 1381 CG ARG A 107 -0.136 1.613 7.718 1.00 1.02 C ATOM 1382 CD ARG A 107 1.085 1.415 8.595 1.00 0.90 C ATOM 1383 NE ARG A 107 1.227 2.500 9.561 1.00 1.58 N ATOM 1384 CZ ARG A 107 1.994 2.447 10.644 1.00 2.15 C ATOM 1385 NH1 ARG A 107 2.745 1.379 10.885 1.00 2.26 N ATOM 1386 NH2 ARG A 107 2.020 3.476 11.478 1.00 3.00 N ATOM 0 H ARG A 107 -1.610 2.300 4.638 1.00 0.46 H new ATOM 0 HA ARG A 107 -1.988 3.616 7.257 1.00 0.58 H new ATOM 0 HB2 ARG A 107 0.619 2.670 6.017 1.00 0.74 H new ATOM 0 HB3 ARG A 107 0.485 3.645 7.467 1.00 0.74 H new ATOM 0 HG2 ARG A 107 -1.028 1.672 8.341 1.00 1.02 H new ATOM 0 HG3 ARG A 107 -0.260 0.750 7.064 1.00 1.02 H new ATOM 0 HD2 ARG A 107 1.006 0.464 9.122 1.00 0.90 H new ATOM 0 HD3 ARG A 107 1.978 1.361 7.972 1.00 0.90 H new ATOM 0 HE ARG A 107 0.701 3.358 9.393 1.00 1.58 H new ATOM 0 HH11 ARG A 107 2.735 0.592 10.236 1.00 2.26 H new ATOM 0 HH12 ARG A 107 3.332 1.346 11.719 1.00 2.26 H new ATOM 0 HH21 ARG A 107 1.453 4.302 11.286 1.00 3.00 H new ATOM 0 HH22 ARG A 107 2.607 3.442 12.312 1.00 3.00 H new ATOM 1400 N THR A 108 -1.098 5.823 6.356 1.00 0.56 N ATOM 1401 CA THR A 108 -0.905 7.131 5.757 1.00 0.51 C ATOM 1402 C THR A 108 0.564 7.548 5.833 1.00 0.52 C ATOM 1403 O THR A 108 1.225 7.349 6.854 1.00 0.66 O ATOM 1404 CB THR A 108 -1.787 8.184 6.459 1.00 0.59 C ATOM 1405 OG1 THR A 108 -3.143 7.716 6.516 1.00 0.86 O ATOM 1406 CG2 THR A 108 -1.741 9.518 5.728 1.00 0.68 C ATOM 0 H THR A 108 -1.193 5.836 7.372 1.00 0.56 H new ATOM 0 HA THR A 108 -1.198 7.069 4.709 1.00 0.51 H new ATOM 0 HB THR A 108 -1.401 8.333 7.468 1.00 0.59 H new ATOM 0 HG1 THR A 108 -3.702 8.385 6.964 1.00 0.86 H new ATOM 0 HG21 THR A 108 -2.372 10.239 6.247 1.00 0.68 H new ATOM 0 HG22 THR A 108 -0.715 9.885 5.705 1.00 0.68 H new ATOM 0 HG23 THR A 108 -2.103 9.387 4.708 1.00 0.68 H new ATOM 1414 N VAL A 109 1.071 8.102 4.741 1.00 0.47 N ATOM 1415 CA VAL A 109 2.449 8.569 4.679 1.00 0.55 C ATOM 1416 C VAL A 109 2.496 10.023 4.233 1.00 0.57 C ATOM 1417 O VAL A 109 1.636 10.482 3.482 1.00 0.62 O ATOM 1418 CB VAL A 109 3.306 7.715 3.714 1.00 0.67 C ATOM 1419 CG1 VAL A 109 3.415 6.287 4.211 1.00 1.51 C ATOM 1420 CG2 VAL A 109 2.737 7.740 2.303 1.00 1.05 C ATOM 0 H VAL A 109 0.544 8.240 3.879 1.00 0.47 H new ATOM 0 HA VAL A 109 2.864 8.474 5.682 1.00 0.55 H new ATOM 0 HB VAL A 109 4.305 8.151 3.686 1.00 0.67 H new ATOM 0 HG11 VAL A 109 4.022 5.705 3.517 1.00 1.51 H new ATOM 0 HG12 VAL A 109 3.882 6.279 5.196 1.00 1.51 H new ATOM 0 HG13 VAL A 109 2.420 5.848 4.278 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.361 7.131 1.648 1.00 1.05 H new ATOM 0 HG22 VAL A 109 1.723 7.341 2.313 1.00 1.05 H new ATOM 0 HG23 VAL A 109 2.719 8.766 1.936 1.00 1.05 H new ATOM 1430 N THR A 110 3.484 10.750 4.719 1.00 0.70 N ATOM 1431 CA THR A 110 3.666 12.138 4.333 1.00 0.84 C ATOM 1432 C THR A 110 5.032 12.345 3.690 1.00 0.84 C ATOM 1433 O THR A 110 5.164 13.045 2.685 1.00 0.97 O ATOM 1434 CB THR A 110 3.517 13.058 5.558 1.00 1.02 C ATOM 1435 OG1 THR A 110 4.202 12.481 6.680 1.00 1.55 O ATOM 1436 CG2 THR A 110 2.050 13.266 5.904 1.00 1.45 C ATOM 0 H THR A 110 4.175 10.402 5.384 1.00 0.70 H new ATOM 0 HA THR A 110 2.897 12.392 3.603 1.00 0.84 H new ATOM 0 HB THR A 110 3.955 14.027 5.319 1.00 1.02 H new ATOM 0 HG1 THR A 110 4.108 13.069 7.458 1.00 1.55 H new ATOM 0 HG21 THR A 110 1.970 13.919 6.773 1.00 1.45 H new ATOM 0 HG22 THR A 110 1.538 13.724 5.058 1.00 1.45 H new ATOM 0 HG23 THR A 110 1.590 12.304 6.130 1.00 1.45 H new ATOM 1444 N SER A 111 6.039 11.707 4.262 1.00 0.79 N ATOM 1445 CA SER A 111 7.384 11.762 3.725 1.00 0.85 C ATOM 1446 C SER A 111 7.860 10.353 3.379 1.00 0.76 C ATOM 1447 O SER A 111 7.329 9.368 3.902 1.00 0.69 O ATOM 1448 CB SER A 111 8.325 12.405 4.747 1.00 0.96 C ATOM 1449 OG SER A 111 7.902 13.719 5.076 1.00 1.52 O ATOM 0 H SER A 111 5.947 11.141 5.105 1.00 0.79 H new ATOM 0 HA SER A 111 7.386 12.366 2.818 1.00 0.85 H new ATOM 0 HB2 SER A 111 8.359 11.794 5.649 1.00 0.96 H new ATOM 0 HB3 SER A 111 9.338 12.436 4.345 1.00 0.96 H new ATOM 0 HG SER A 111 8.519 14.107 5.732 1.00 1.52 H new ATOM 1455 N PRO A 112 8.857 10.235 2.481 1.00 0.82 N ATOM 1456 CA PRO A 112 9.412 8.937 2.081 1.00 0.80 C ATOM 1457 C PRO A 112 10.035 8.188 3.253 1.00 0.70 C ATOM 1458 O PRO A 112 10.207 6.972 3.198 1.00 0.74 O ATOM 1459 CB PRO A 112 10.479 9.293 1.038 1.00 0.95 C ATOM 1460 CG PRO A 112 10.139 10.672 0.586 1.00 1.05 C ATOM 1461 CD PRO A 112 9.507 11.349 1.767 1.00 0.97 C ATOM 0 HA PRO A 112 8.639 8.272 1.696 1.00 0.80 H new ATOM 0 HB2 PRO A 112 11.479 9.255 1.469 1.00 0.95 H new ATOM 0 HB3 PRO A 112 10.465 8.591 0.205 1.00 0.95 H new ATOM 0 HG2 PRO A 112 11.031 11.207 0.260 1.00 1.05 H new ATOM 0 HG3 PRO A 112 9.455 10.647 -0.262 1.00 1.05 H new ATOM 0 HD2 PRO A 112 10.249 11.849 2.390 1.00 0.97 H new ATOM 0 HD3 PRO A 112 8.786 12.106 1.460 1.00 0.97 H new ATOM 1469 N ASP A 113 10.361 8.922 4.310 1.00 0.67 N ATOM 1470 CA ASP A 113 10.910 8.328 5.523 1.00 0.66 C ATOM 1471 C ASP A 113 9.876 7.435 6.193 1.00 0.59 C ATOM 1472 O ASP A 113 10.188 6.325 6.629 1.00 0.63 O ATOM 1473 CB ASP A 113 11.369 9.416 6.495 1.00 0.74 C ATOM 1474 CG ASP A 113 12.522 10.230 5.949 1.00 1.73 C ATOM 1475 OD1 ASP A 113 12.283 11.343 5.431 1.00 2.48 O ATOM 1476 OD2 ASP A 113 13.674 9.756 6.022 1.00 2.44 O ATOM 0 H ASP A 113 10.254 9.936 4.351 1.00 0.67 H new ATOM 0 HA ASP A 113 11.772 7.721 5.245 1.00 0.66 H new ATOM 0 HB2 ASP A 113 10.532 10.079 6.715 1.00 0.74 H new ATOM 0 HB3 ASP A 113 11.667 8.955 7.437 1.00 0.74 H new ATOM 1481 N GLU A 114 8.643 7.926 6.263 1.00 0.57 N ATOM 1482 CA GLU A 114 7.537 7.158 6.822 1.00 0.60 C ATOM 1483 C GLU A 114 7.227 5.954 5.946 1.00 0.52 C ATOM 1484 O GLU A 114 7.090 4.838 6.441 1.00 0.52 O ATOM 1485 CB GLU A 114 6.285 8.027 6.967 1.00 0.73 C ATOM 1486 CG GLU A 114 6.296 8.948 8.181 1.00 1.18 C ATOM 1487 CD GLU A 114 7.498 9.866 8.217 1.00 1.99 C ATOM 1488 OE1 GLU A 114 8.203 9.883 9.249 1.00 2.63 O ATOM 1489 OE2 GLU A 114 7.745 10.567 7.216 1.00 2.70 O ATOM 0 H GLU A 114 8.384 8.857 5.938 1.00 0.57 H new ATOM 0 HA GLU A 114 7.838 6.812 7.811 1.00 0.60 H new ATOM 0 HB2 GLU A 114 6.171 8.632 6.068 1.00 0.73 H new ATOM 0 HB3 GLU A 114 5.412 7.378 7.026 1.00 0.73 H new ATOM 0 HG2 GLU A 114 5.387 9.549 8.182 1.00 1.18 H new ATOM 0 HG3 GLU A 114 6.280 8.344 9.088 1.00 1.18 H new ATOM 1496 N ALA A 115 7.136 6.189 4.641 1.00 0.55 N ATOM 1497 CA ALA A 115 6.846 5.124 3.688 1.00 0.58 C ATOM 1498 C ALA A 115 7.878 4.010 3.794 1.00 0.51 C ATOM 1499 O ALA A 115 7.528 2.839 3.935 1.00 0.51 O ATOM 1500 CB ALA A 115 6.806 5.676 2.272 1.00 0.70 C ATOM 0 H ALA A 115 7.259 7.109 4.219 1.00 0.55 H new ATOM 0 HA ALA A 115 5.867 4.708 3.928 1.00 0.58 H new ATOM 0 HB1 ALA A 115 6.588 4.869 1.573 1.00 0.70 H new ATOM 0 HB2 ALA A 115 6.029 6.437 2.200 1.00 0.70 H new ATOM 0 HB3 ALA A 115 7.772 6.118 2.027 1.00 0.70 H new ATOM 1506 N LYS A 116 9.150 4.391 3.751 1.00 0.51 N ATOM 1507 CA LYS A 116 10.248 3.442 3.878 1.00 0.51 C ATOM 1508 C LYS A 116 10.133 2.659 5.182 1.00 0.44 C ATOM 1509 O LYS A 116 10.361 1.452 5.218 1.00 0.49 O ATOM 1510 CB LYS A 116 11.585 4.185 3.830 1.00 0.64 C ATOM 1511 CG LYS A 116 12.799 3.282 3.970 1.00 1.38 C ATOM 1512 CD LYS A 116 14.095 4.075 3.976 1.00 1.43 C ATOM 1513 CE LYS A 116 14.293 4.850 2.683 1.00 1.80 C ATOM 1514 NZ LYS A 116 15.580 5.591 2.677 1.00 2.33 N ATOM 0 H LYS A 116 9.447 5.359 3.628 1.00 0.51 H new ATOM 0 HA LYS A 116 10.198 2.738 3.047 1.00 0.51 H new ATOM 0 HB2 LYS A 116 11.654 4.726 2.886 1.00 0.64 H new ATOM 0 HB3 LYS A 116 11.604 4.929 4.626 1.00 0.64 H new ATOM 0 HG2 LYS A 116 12.720 2.708 4.893 1.00 1.38 H new ATOM 0 HG3 LYS A 116 12.815 2.565 3.149 1.00 1.38 H new ATOM 0 HD2 LYS A 116 14.092 4.768 4.817 1.00 1.43 H new ATOM 0 HD3 LYS A 116 14.935 3.396 4.124 1.00 1.43 H new ATOM 0 HE2 LYS A 116 14.266 4.161 1.838 1.00 1.80 H new ATOM 0 HE3 LYS A 116 13.469 5.551 2.549 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 15.671 6.121 1.787 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 15.603 6.254 3.478 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 16.368 4.918 2.762 1.00 2.33 H new ATOM 1528 N ARG A 117 9.756 3.361 6.242 1.00 0.42 N ATOM 1529 CA ARG A 117 9.625 2.758 7.560 1.00 0.44 C ATOM 1530 C ARG A 117 8.511 1.718 7.584 1.00 0.43 C ATOM 1531 O ARG A 117 8.714 0.590 8.042 1.00 0.50 O ATOM 1532 CB ARG A 117 9.337 3.839 8.596 1.00 0.57 C ATOM 1533 CG ARG A 117 9.293 3.325 10.022 1.00 0.90 C ATOM 1534 CD ARG A 117 8.791 4.396 10.969 1.00 1.39 C ATOM 1535 NE ARG A 117 9.560 5.634 10.852 1.00 1.99 N ATOM 1536 CZ ARG A 117 9.009 6.846 10.758 1.00 2.83 C ATOM 1537 NH1 ARG A 117 7.694 6.994 10.873 1.00 3.30 N ATOM 1538 NH2 ARG A 117 9.775 7.916 10.580 1.00 3.61 N ATOM 0 H ARG A 117 9.534 4.356 6.213 1.00 0.42 H new ATOM 0 HA ARG A 117 10.564 2.259 7.798 1.00 0.44 H new ATOM 0 HB2 ARG A 117 10.101 4.613 8.522 1.00 0.57 H new ATOM 0 HB3 ARG A 117 8.383 4.310 8.360 1.00 0.57 H new ATOM 0 HG2 ARG A 117 8.643 2.451 10.078 1.00 0.90 H new ATOM 0 HG3 ARG A 117 10.288 3.002 10.327 1.00 0.90 H new ATOM 0 HD2 ARG A 117 7.741 4.600 10.761 1.00 1.39 H new ATOM 0 HD3 ARG A 117 8.848 4.029 11.994 1.00 1.39 H new ATOM 0 HE ARG A 117 10.578 5.567 10.842 1.00 1.99 H new ATOM 0 HH11 ARG A 117 7.101 6.180 11.034 1.00 3.30 H new ATOM 0 HH12 ARG A 117 7.277 7.922 10.801 1.00 3.30 H new ATOM 0 HH21 ARG A 117 10.788 7.813 10.515 1.00 3.61 H new ATOM 0 HH22 ARG A 117 9.351 8.841 10.509 1.00 3.61 H new ATOM 1552 N TRP A 118 7.335 2.097 7.086 1.00 0.43 N ATOM 1553 CA TRP A 118 6.178 1.209 7.110 1.00 0.51 C ATOM 1554 C TRP A 118 6.436 -0.028 6.258 1.00 0.51 C ATOM 1555 O TRP A 118 5.975 -1.122 6.580 1.00 0.60 O ATOM 1556 CB TRP A 118 4.913 1.913 6.604 1.00 0.59 C ATOM 1557 CG TRP A 118 4.545 3.185 7.323 1.00 0.89 C ATOM 1558 CD1 TRP A 118 3.860 4.232 6.782 1.00 0.98 C ATOM 1559 CD2 TRP A 118 4.821 3.554 8.687 1.00 1.69 C ATOM 1560 NE1 TRP A 118 3.693 5.226 7.710 1.00 1.51 N ATOM 1561 CE2 TRP A 118 4.271 4.838 8.885 1.00 2.00 C ATOM 1562 CE3 TRP A 118 5.473 2.936 9.760 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 4.355 5.508 10.100 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 5.552 3.605 10.965 1.00 3.18 C ATOM 1565 CH2 TRP A 118 4.996 4.878 11.127 1.00 3.39 C ATOM 0 H TRP A 118 7.160 3.009 6.663 1.00 0.43 H new ATOM 0 HA TRP A 118 6.020 0.915 8.148 1.00 0.51 H new ATOM 0 HB2 TRP A 118 5.043 2.139 5.546 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.077 1.218 6.681 1.00 0.59 H new ATOM 0 HD1 TRP A 118 3.500 4.272 5.765 1.00 0.98 H new ATOM 0 HE1 TRP A 118 3.214 6.112 7.549 1.00 1.51 H new ATOM 0 HE3 TRP A 118 5.907 1.953 9.647 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 3.928 6.492 10.227 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 6.053 3.136 11.799 1.00 3.18 H new ATOM 0 HH2 TRP A 118 5.075 5.372 12.084 1.00 3.39 H new ATOM 1576 N ILE A 119 7.167 0.155 5.166 1.00 0.48 N ATOM 1577 CA ILE A 119 7.525 -0.954 4.294 1.00 0.54 C ATOM 1578 C ILE A 119 8.573 -1.838 4.963 1.00 0.53 C ATOM 1579 O ILE A 119 8.554 -3.057 4.813 1.00 0.58 O ATOM 1580 CB ILE A 119 8.052 -0.455 2.928 1.00 0.60 C ATOM 1581 CG1 ILE A 119 6.964 0.345 2.207 1.00 0.67 C ATOM 1582 CG2 ILE A 119 8.514 -1.622 2.064 1.00 0.69 C ATOM 1583 CD1 ILE A 119 7.422 0.957 0.901 1.00 0.81 C ATOM 0 H ILE A 119 7.523 1.062 4.864 1.00 0.48 H new ATOM 0 HA ILE A 119 6.622 -1.538 4.115 1.00 0.54 H new ATOM 0 HB ILE A 119 8.910 0.194 3.106 1.00 0.60 H new ATOM 0 HG12 ILE A 119 6.114 -0.309 2.013 1.00 0.67 H new ATOM 0 HG13 ILE A 119 6.612 1.139 2.866 1.00 0.67 H new ATOM 0 HG21 ILE A 119 8.880 -1.245 1.109 1.00 0.69 H new ATOM 0 HG22 ILE A 119 9.315 -2.157 2.574 1.00 0.69 H new ATOM 0 HG23 ILE A 119 7.678 -2.299 1.890 1.00 0.69 H new ATOM 0 HD11 ILE A 119 6.598 1.508 0.448 1.00 0.81 H new ATOM 0 HD12 ILE A 119 8.253 1.637 1.089 1.00 0.81 H new ATOM 0 HD13 ILE A 119 7.746 0.167 0.223 1.00 0.81 H new ATOM 1595 N LYS A 120 9.468 -1.218 5.721 1.00 0.52 N ATOM 1596 CA LYS A 120 10.524 -1.945 6.416 1.00 0.57 C ATOM 1597 C LYS A 120 9.932 -2.914 7.440 1.00 0.56 C ATOM 1598 O LYS A 120 10.232 -4.110 7.420 1.00 0.61 O ATOM 1599 CB LYS A 120 11.477 -0.964 7.102 1.00 0.66 C ATOM 1600 CG LYS A 120 12.673 -1.628 7.763 1.00 1.08 C ATOM 1601 CD LYS A 120 13.601 -0.599 8.386 1.00 1.68 C ATOM 1602 CE LYS A 120 14.779 -1.253 9.092 1.00 2.25 C ATOM 1603 NZ LYS A 120 14.348 -2.070 10.257 1.00 2.76 N ATOM 0 H LYS A 120 9.484 -0.209 5.871 1.00 0.52 H new ATOM 0 HA LYS A 120 11.083 -2.524 5.681 1.00 0.57 H new ATOM 0 HB2 LYS A 120 11.834 -0.245 6.365 1.00 0.66 H new ATOM 0 HB3 LYS A 120 10.924 -0.402 7.854 1.00 0.66 H new ATOM 0 HG2 LYS A 120 12.329 -2.322 8.530 1.00 1.08 H new ATOM 0 HG3 LYS A 120 13.220 -2.215 7.025 1.00 1.08 H new ATOM 0 HD2 LYS A 120 13.970 0.074 7.612 1.00 1.68 H new ATOM 0 HD3 LYS A 120 13.043 0.009 9.098 1.00 1.68 H new ATOM 0 HE2 LYS A 120 15.319 -1.885 8.387 1.00 2.25 H new ATOM 0 HE3 LYS A 120 15.474 -0.483 9.427 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 15.181 -2.343 10.817 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 13.700 -1.514 10.850 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 13.861 -2.925 9.920 1.00 2.76 H new ATOM 1617 N GLU A 121 9.070 -2.400 8.314 1.00 0.56 N ATOM 1618 CA GLU A 121 8.434 -3.231 9.336 1.00 0.63 C ATOM 1619 C GLU A 121 7.534 -4.284 8.697 1.00 0.67 C ATOM 1620 O GLU A 121 7.436 -5.412 9.177 1.00 0.79 O ATOM 1621 CB GLU A 121 7.623 -2.371 10.314 1.00 0.71 C ATOM 1622 CG GLU A 121 6.599 -1.471 9.642 1.00 1.18 C ATOM 1623 CD GLU A 121 5.637 -0.834 10.622 1.00 1.87 C ATOM 1624 OE1 GLU A 121 4.416 -1.087 10.514 1.00 2.50 O ATOM 1625 OE2 GLU A 121 6.094 -0.087 11.513 1.00 2.57 O ATOM 0 H GLU A 121 8.796 -1.418 8.336 1.00 0.56 H new ATOM 0 HA GLU A 121 9.224 -3.737 9.891 1.00 0.63 H new ATOM 0 HB2 GLU A 121 7.110 -3.026 11.018 1.00 0.71 H new ATOM 0 HB3 GLU A 121 8.309 -1.754 10.894 1.00 0.71 H new ATOM 0 HG2 GLU A 121 7.119 -0.688 9.090 1.00 1.18 H new ATOM 0 HG3 GLU A 121 6.034 -2.053 8.914 1.00 1.18 H new ATOM 1632 N PHE A 122 6.895 -3.913 7.598 1.00 0.65 N ATOM 1633 CA PHE A 122 5.971 -4.798 6.909 1.00 0.76 C ATOM 1634 C PHE A 122 6.721 -5.875 6.133 1.00 0.78 C ATOM 1635 O PHE A 122 6.190 -6.956 5.891 1.00 0.89 O ATOM 1636 CB PHE A 122 5.096 -3.977 5.958 1.00 0.86 C ATOM 1637 CG PHE A 122 4.026 -4.767 5.265 1.00 1.36 C ATOM 1638 CD1 PHE A 122 2.862 -5.107 5.930 1.00 2.24 C ATOM 1639 CD2 PHE A 122 4.181 -5.159 3.945 1.00 1.98 C ATOM 1640 CE1 PHE A 122 1.870 -5.823 5.293 1.00 2.95 C ATOM 1641 CE2 PHE A 122 3.193 -5.876 3.303 1.00 2.74 C ATOM 1642 CZ PHE A 122 2.037 -6.208 3.979 1.00 3.02 C ATOM 0 H PHE A 122 7.002 -2.997 7.162 1.00 0.65 H new ATOM 0 HA PHE A 122 5.343 -5.293 7.650 1.00 0.76 H new ATOM 0 HB2 PHE A 122 4.628 -3.169 6.520 1.00 0.86 H new ATOM 0 HB3 PHE A 122 5.734 -3.514 5.205 1.00 0.86 H new ATOM 0 HD1 PHE A 122 2.728 -4.809 6.959 1.00 2.24 H new ATOM 0 HD2 PHE A 122 5.085 -4.900 3.413 1.00 1.98 H new ATOM 0 HE1 PHE A 122 0.965 -6.082 5.822 1.00 2.95 H new ATOM 0 HE2 PHE A 122 3.324 -6.177 2.274 1.00 2.74 H new ATOM 0 HZ PHE A 122 1.262 -6.770 3.479 1.00 3.02 H new ATOM 1652 N SER A 123 7.962 -5.577 5.767 1.00 0.72 N ATOM 1653 CA SER A 123 8.754 -6.454 4.917 1.00 0.79 C ATOM 1654 C SER A 123 8.945 -7.835 5.546 1.00 0.81 C ATOM 1655 O SER A 123 8.358 -8.815 5.084 1.00 1.02 O ATOM 1656 CB SER A 123 10.114 -5.804 4.630 1.00 0.82 C ATOM 1657 OG SER A 123 10.906 -6.603 3.768 1.00 1.40 O ATOM 0 H SER A 123 8.445 -4.724 6.050 1.00 0.72 H new ATOM 0 HA SER A 123 8.213 -6.597 3.981 1.00 0.79 H new ATOM 0 HB2 SER A 123 9.961 -4.824 4.179 1.00 0.82 H new ATOM 0 HB3 SER A 123 10.646 -5.643 5.568 1.00 0.82 H new ATOM 0 HG SER A 123 11.847 -6.343 3.854 1.00 1.40 H new ATOM 1663 N GLU A 124 9.756 -7.917 6.594 1.00 0.80 N ATOM 1664 CA GLU A 124 10.046 -9.202 7.228 1.00 1.00 C ATOM 1665 C GLU A 124 10.292 -9.034 8.723 1.00 1.48 C ATOM 1666 O GLU A 124 10.772 -9.951 9.388 1.00 2.09 O ATOM 1667 CB GLU A 124 11.274 -9.860 6.580 1.00 1.88 C ATOM 1668 CG GLU A 124 11.111 -10.142 5.094 1.00 2.61 C ATOM 1669 CD GLU A 124 12.289 -10.877 4.496 1.00 3.54 C ATOM 1670 OE1 GLU A 124 13.289 -10.220 4.141 1.00 4.12 O ATOM 1671 OE2 GLU A 124 12.214 -12.118 4.365 1.00 4.14 O ATOM 0 H GLU A 124 10.222 -7.117 7.022 1.00 0.80 H new ATOM 0 HA GLU A 124 9.176 -9.842 7.085 1.00 1.00 H new ATOM 0 HB2 GLU A 124 12.139 -9.213 6.724 1.00 1.88 H new ATOM 0 HB3 GLU A 124 11.487 -10.796 7.096 1.00 1.88 H new ATOM 0 HG2 GLU A 124 10.207 -10.731 4.939 1.00 2.61 H new ATOM 0 HG3 GLU A 124 10.972 -9.199 4.565 1.00 2.61 H new