USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 869 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 110 THR OG1 : rot 180:sc= 0.00923 USER MOD Set 1.2: A 111 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 30 ASN : amide:sc= -3.29! C(o=-2.1!,f=-3!) USER MOD Set 2.2: A 81 THR OG1 : rot 61:sc= 1.19 USER MOD Single : A 21 MET CE :methyl -176:sc= -0.983 (180deg=-1.12) USER MOD Single : A 29 SER OG : rot 71:sc= 1.24 USER MOD Single : A 32 LYS NZ :NH3+ -172:sc=-0.00713 (180deg=-0.101) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 1.07 (180deg=0.883) USER MOD Single : A 41 MET CE :methyl 163:sc= -0.497 (180deg=-0.912) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 69 LYS NZ :NH3+ 146:sc= -1.24 (180deg=-3.18!) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0401) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.106) USER MOD Single : A 90 THR OG1 : rot 90:sc= 1.21 USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.111) USER MOD Single : A 93 LYS NZ :NH3+ -169:sc=-0.00499 (180deg=-0.172) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.224 K(o=-0.22,f=-2.7!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 166:sc= -0.0361 (180deg=-0.261) USER MOD Single : A 123 SER OG : rot -99:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 5.674 -16.341 0.961 1.00 1.82 N ATOM 2 CA MET A 21 4.433 -15.546 1.113 1.00 1.48 C ATOM 3 C MET A 21 4.296 -14.553 -0.028 1.00 1.22 C ATOM 4 O MET A 21 5.274 -14.217 -0.691 1.00 1.47 O ATOM 5 CB MET A 21 4.437 -14.774 2.438 1.00 1.86 C ATOM 6 CG MET A 21 4.438 -15.650 3.678 1.00 1.95 C ATOM 7 SD MET A 21 4.412 -14.686 5.204 1.00 2.87 S ATOM 8 CE MET A 21 5.902 -13.711 5.018 1.00 3.09 C ATOM 0 HA MET A 21 3.593 -16.241 1.102 1.00 1.48 H new ATOM 0 HB2 MET A 21 5.314 -14.128 2.465 1.00 1.86 H new ATOM 0 HB3 MET A 21 3.562 -14.125 2.468 1.00 1.86 H new ATOM 0 HG2 MET A 21 3.571 -16.310 3.654 1.00 1.95 H new ATOM 0 HG3 MET A 21 5.323 -16.286 3.669 1.00 1.95 H new ATOM 0 HE1 MET A 21 6.061 -13.115 5.917 1.00 3.09 H new ATOM 0 HE2 MET A 21 6.754 -14.374 4.866 1.00 3.09 H new ATOM 0 HE3 MET A 21 5.799 -13.050 4.158 1.00 3.09 H new ATOM 17 N ARG A 22 3.075 -14.098 -0.261 1.00 0.88 N ATOM 18 CA ARG A 22 2.825 -13.048 -1.231 1.00 0.73 C ATOM 19 C ARG A 22 2.774 -11.704 -0.520 1.00 0.55 C ATOM 20 O ARG A 22 1.716 -11.274 -0.053 1.00 0.56 O ATOM 21 CB ARG A 22 1.511 -13.301 -1.977 1.00 0.86 C ATOM 22 CG ARG A 22 1.543 -14.507 -2.907 1.00 1.33 C ATOM 23 CD ARG A 22 2.262 -14.204 -4.217 1.00 1.33 C ATOM 24 NE ARG A 22 3.687 -13.914 -4.035 1.00 1.91 N ATOM 25 CZ ARG A 22 4.377 -13.071 -4.807 1.00 2.43 C ATOM 26 NH1 ARG A 22 3.761 -12.402 -5.776 1.00 2.62 N ATOM 27 NH2 ARG A 22 5.675 -12.883 -4.595 1.00 3.31 N ATOM 0 H ARG A 22 2.239 -14.442 0.212 1.00 0.88 H new ATOM 0 HA ARG A 22 3.634 -13.042 -1.961 1.00 0.73 H new ATOM 0 HB2 ARG A 22 0.713 -13.440 -1.248 1.00 0.86 H new ATOM 0 HB3 ARG A 22 1.260 -12.414 -2.559 1.00 0.86 H new ATOM 0 HG2 ARG A 22 2.040 -15.338 -2.405 1.00 1.33 H new ATOM 0 HG3 ARG A 22 0.523 -14.827 -3.120 1.00 1.33 H new ATOM 0 HD2 ARG A 22 2.153 -15.055 -4.890 1.00 1.33 H new ATOM 0 HD3 ARG A 22 1.782 -13.352 -4.700 1.00 1.33 H new ATOM 0 HE ARG A 22 4.180 -14.383 -3.275 1.00 1.91 H new ATOM 0 HH11 ARG A 22 2.761 -12.533 -5.930 1.00 2.62 H new ATOM 0 HH12 ARG A 22 4.288 -11.758 -6.366 1.00 2.62 H new ATOM 0 HH21 ARG A 22 6.146 -13.383 -3.841 1.00 3.31 H new ATOM 0 HH22 ARG A 22 6.200 -12.239 -5.186 1.00 3.31 H new ATOM 41 N LEU A 23 3.925 -11.061 -0.409 1.00 0.51 N ATOM 42 CA LEU A 23 4.011 -9.762 0.234 1.00 0.43 C ATOM 43 C LEU A 23 3.788 -8.664 -0.795 1.00 0.37 C ATOM 44 O LEU A 23 4.693 -8.307 -1.553 1.00 0.40 O ATOM 45 CB LEU A 23 5.369 -9.589 0.919 1.00 0.58 C ATOM 46 CG LEU A 23 5.663 -10.587 2.045 1.00 1.05 C ATOM 47 CD1 LEU A 23 7.053 -10.361 2.614 1.00 1.76 C ATOM 48 CD2 LEU A 23 4.618 -10.475 3.145 1.00 1.55 C ATOM 0 H LEU A 23 4.814 -11.419 -0.757 1.00 0.51 H new ATOM 0 HA LEU A 23 3.236 -9.694 0.998 1.00 0.43 H new ATOM 0 HB2 LEU A 23 6.152 -9.675 0.165 1.00 0.58 H new ATOM 0 HB3 LEU A 23 5.427 -8.579 1.326 1.00 0.58 H new ATOM 0 HG LEU A 23 5.621 -11.593 1.627 1.00 1.05 H new ATOM 0 HD11 LEU A 23 7.241 -11.080 3.412 1.00 1.76 H new ATOM 0 HD12 LEU A 23 7.794 -10.491 1.826 1.00 1.76 H new ATOM 0 HD13 LEU A 23 7.122 -9.349 3.014 1.00 1.76 H new ATOM 0 HD21 LEU A 23 4.843 -11.191 3.935 1.00 1.55 H new ATOM 0 HD22 LEU A 23 4.629 -9.466 3.556 1.00 1.55 H new ATOM 0 HD23 LEU A 23 3.632 -10.688 2.733 1.00 1.55 H new ATOM 60 N VAL A 24 2.573 -8.145 -0.826 1.00 0.35 N ATOM 61 CA VAL A 24 2.199 -7.150 -1.813 1.00 0.37 C ATOM 62 C VAL A 24 2.197 -5.759 -1.200 1.00 0.38 C ATOM 63 O VAL A 24 1.636 -5.539 -0.124 1.00 0.42 O ATOM 64 CB VAL A 24 0.808 -7.444 -2.410 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.482 -6.466 -3.527 1.00 0.46 C ATOM 66 CG2 VAL A 24 0.734 -8.879 -2.912 1.00 0.45 C ATOM 0 H VAL A 24 1.828 -8.398 -0.177 1.00 0.35 H new ATOM 0 HA VAL A 24 2.939 -7.194 -2.612 1.00 0.37 H new ATOM 0 HB VAL A 24 0.065 -7.318 -1.622 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.504 -6.693 -3.933 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.487 -5.449 -3.134 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.228 -6.553 -4.317 1.00 0.46 H new ATOM 0 HG21 VAL A 24 -0.255 -9.068 -3.330 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.489 -9.034 -3.683 1.00 0.45 H new ATOM 0 HG23 VAL A 24 0.915 -9.564 -2.084 1.00 0.45 H new ATOM 76 N VAL A 25 2.832 -4.828 -1.887 1.00 0.39 N ATOM 77 CA VAL A 25 2.885 -3.450 -1.439 1.00 0.41 C ATOM 78 C VAL A 25 2.236 -2.553 -2.484 1.00 0.39 C ATOM 79 O VAL A 25 2.486 -2.702 -3.679 1.00 0.42 O ATOM 80 CB VAL A 25 4.341 -2.985 -1.193 1.00 0.46 C ATOM 81 CG1 VAL A 25 4.369 -1.618 -0.530 1.00 0.51 C ATOM 82 CG2 VAL A 25 5.096 -4.001 -0.350 1.00 0.52 C ATOM 0 H VAL A 25 3.322 -5.004 -2.764 1.00 0.39 H new ATOM 0 HA VAL A 25 2.346 -3.381 -0.494 1.00 0.41 H new ATOM 0 HB VAL A 25 4.836 -2.905 -2.161 1.00 0.46 H new ATOM 0 HG11 VAL A 25 5.403 -1.313 -0.368 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.873 -0.891 -1.174 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.851 -1.667 0.428 1.00 0.51 H new ATOM 0 HG21 VAL A 25 6.117 -3.654 -0.190 1.00 0.52 H new ATOM 0 HG22 VAL A 25 4.597 -4.118 0.612 1.00 0.52 H new ATOM 0 HG23 VAL A 25 5.116 -4.960 -0.867 1.00 0.52 H new ATOM 92 N LEU A 26 1.385 -1.649 -2.041 1.00 0.40 N ATOM 93 CA LEU A 26 0.735 -0.713 -2.940 1.00 0.38 C ATOM 94 C LEU A 26 1.054 0.716 -2.529 1.00 0.37 C ATOM 95 O LEU A 26 0.968 1.064 -1.354 1.00 0.48 O ATOM 96 CB LEU A 26 -0.777 -0.928 -2.941 1.00 0.46 C ATOM 97 CG LEU A 26 -1.356 -1.497 -4.240 1.00 0.56 C ATOM 98 CD1 LEU A 26 -1.143 -2.997 -4.347 1.00 1.15 C ATOM 99 CD2 LEU A 26 -2.827 -1.180 -4.338 1.00 1.33 C ATOM 0 H LEU A 26 1.126 -1.542 -1.060 1.00 0.40 H new ATOM 0 HA LEU A 26 1.112 -0.888 -3.948 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.032 -1.602 -2.123 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.263 0.025 -2.733 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.825 -1.026 -5.067 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -1.569 -3.359 -5.283 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -0.075 -3.215 -4.326 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -1.632 -3.495 -3.509 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -3.227 -1.590 -5.266 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -3.352 -1.621 -3.491 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -2.968 -0.099 -4.329 1.00 1.33 H new ATOM 111 N ILE A 27 1.420 1.540 -3.498 1.00 0.33 N ATOM 112 CA ILE A 27 1.773 2.924 -3.224 1.00 0.36 C ATOM 113 C ILE A 27 0.911 3.871 -4.059 1.00 0.39 C ATOM 114 O ILE A 27 0.609 3.595 -5.224 1.00 0.40 O ATOM 115 CB ILE A 27 3.283 3.180 -3.490 1.00 0.44 C ATOM 116 CG1 ILE A 27 3.684 4.621 -3.143 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.634 2.873 -4.938 1.00 1.32 C ATOM 118 CD1 ILE A 27 3.429 5.007 -1.703 1.00 1.36 C ATOM 0 H ILE A 27 1.480 1.275 -4.481 1.00 0.33 H new ATOM 0 HA ILE A 27 1.581 3.119 -2.169 1.00 0.36 H new ATOM 0 HB ILE A 27 3.845 2.510 -2.840 1.00 0.44 H new ATOM 0 HG12 ILE A 27 4.744 4.753 -3.360 1.00 0.93 H new ATOM 0 HG13 ILE A 27 3.137 5.305 -3.793 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.695 3.059 -5.102 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.411 1.828 -5.153 1.00 1.32 H new ATOM 0 HG23 ILE A 27 3.047 3.512 -5.598 1.00 1.32 H new ATOM 0 HD11 ILE A 27 3.740 6.039 -1.542 1.00 1.36 H new ATOM 0 HD12 ILE A 27 2.366 4.910 -1.483 1.00 1.36 H new ATOM 0 HD13 ILE A 27 3.997 4.350 -1.044 1.00 1.36 H new ATOM 130 N VAL A 28 0.503 4.970 -3.445 1.00 0.48 N ATOM 131 CA VAL A 28 -0.334 5.960 -4.102 1.00 0.56 C ATOM 132 C VAL A 28 0.532 6.995 -4.815 1.00 0.86 C ATOM 133 O VAL A 28 1.528 7.468 -4.264 1.00 1.37 O ATOM 134 CB VAL A 28 -1.256 6.660 -3.076 1.00 0.77 C ATOM 135 CG1 VAL A 28 -2.075 7.761 -3.729 1.00 1.12 C ATOM 136 CG2 VAL A 28 -2.174 5.645 -2.409 1.00 1.17 C ATOM 0 H VAL A 28 0.742 5.200 -2.480 1.00 0.48 H new ATOM 0 HA VAL A 28 -0.955 5.450 -4.838 1.00 0.56 H new ATOM 0 HB VAL A 28 -0.623 7.118 -2.316 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -2.712 8.233 -2.981 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -1.406 8.507 -4.158 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -2.695 7.334 -4.517 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -2.817 6.153 -1.690 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -2.790 5.159 -3.166 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -1.574 4.895 -1.893 1.00 1.17 H new ATOM 146 N SER A 29 0.155 7.322 -6.049 1.00 0.85 N ATOM 147 CA SER A 29 0.916 8.252 -6.875 1.00 1.25 C ATOM 148 C SER A 29 1.027 9.626 -6.222 1.00 0.83 C ATOM 149 O SER A 29 0.064 10.144 -5.650 1.00 1.53 O ATOM 150 CB SER A 29 0.281 8.379 -8.258 1.00 2.38 C ATOM 151 OG SER A 29 0.276 7.133 -8.935 1.00 3.23 O ATOM 0 H SER A 29 -0.681 6.952 -6.501 1.00 0.85 H new ATOM 0 HA SER A 29 1.923 7.849 -6.979 1.00 1.25 H new ATOM 0 HB2 SER A 29 -0.740 8.747 -8.160 1.00 2.38 H new ATOM 0 HB3 SER A 29 0.829 9.114 -8.847 1.00 2.38 H new ATOM 0 HG SER A 29 -0.372 6.533 -8.510 1.00 3.23 H new ATOM 157 N ASN A 30 2.210 10.205 -6.343 1.00 1.19 N ATOM 158 CA ASN A 30 2.558 11.455 -5.693 1.00 1.67 C ATOM 159 C ASN A 30 3.918 11.892 -6.229 1.00 1.19 C ATOM 160 O ASN A 30 4.394 11.305 -7.203 1.00 1.38 O ATOM 161 CB ASN A 30 2.584 11.265 -4.168 1.00 2.93 C ATOM 162 CG ASN A 30 2.761 12.560 -3.398 1.00 3.86 C ATOM 163 OD1 ASN A 30 2.410 13.636 -3.878 1.00 4.32 O ATOM 164 ND2 ASN A 30 3.292 12.460 -2.193 1.00 4.58 N ATOM 0 H ASN A 30 2.966 9.813 -6.904 1.00 1.19 H new ATOM 0 HA ASN A 30 1.819 12.227 -5.906 1.00 1.67 H new ATOM 0 HB2 ASN A 30 1.655 10.789 -3.854 1.00 2.93 H new ATOM 0 HB3 ASN A 30 3.395 10.584 -3.909 1.00 2.93 H new ATOM 0 HD21 ASN A 30 3.424 13.295 -1.623 1.00 4.58 H new ATOM 0 HD22 ASN A 30 3.570 11.547 -1.832 1.00 4.58 H new ATOM 171 N ASP A 31 4.510 12.936 -5.653 1.00 1.45 N ATOM 172 CA ASP A 31 5.863 13.363 -6.019 1.00 1.18 C ATOM 173 C ASP A 31 6.779 12.153 -6.197 1.00 0.94 C ATOM 174 O ASP A 31 6.791 11.235 -5.371 1.00 1.28 O ATOM 175 CB ASP A 31 6.440 14.290 -4.947 1.00 1.61 C ATOM 176 CG ASP A 31 7.779 14.878 -5.349 1.00 1.74 C ATOM 177 OD1 ASP A 31 7.811 16.049 -5.778 1.00 2.03 O ATOM 178 OD2 ASP A 31 8.806 14.173 -5.242 1.00 2.29 O ATOM 0 H ASP A 31 4.074 13.505 -4.928 1.00 1.45 H new ATOM 0 HA ASP A 31 5.803 13.904 -6.963 1.00 1.18 H new ATOM 0 HB2 ASP A 31 5.735 15.098 -4.752 1.00 1.61 H new ATOM 0 HB3 ASP A 31 6.555 13.736 -4.015 1.00 1.61 H new ATOM 183 N LYS A 32 7.541 12.167 -7.284 1.00 0.79 N ATOM 184 CA LYS A 32 8.316 11.005 -7.714 1.00 0.82 C ATOM 185 C LYS A 32 9.339 10.558 -6.678 1.00 0.66 C ATOM 186 O LYS A 32 9.756 9.402 -6.686 1.00 0.68 O ATOM 187 CB LYS A 32 9.023 11.300 -9.036 1.00 1.24 C ATOM 188 CG LYS A 32 8.077 11.555 -10.198 1.00 1.77 C ATOM 189 CD LYS A 32 7.148 10.375 -10.445 1.00 2.22 C ATOM 190 CE LYS A 32 7.915 9.104 -10.777 1.00 3.17 C ATOM 191 NZ LYS A 32 8.695 9.235 -12.036 1.00 3.77 N ATOM 0 H LYS A 32 7.640 12.980 -7.892 1.00 0.79 H new ATOM 0 HA LYS A 32 7.606 10.188 -7.842 1.00 0.82 H new ATOM 0 HB2 LYS A 32 9.666 12.171 -8.906 1.00 1.24 H new ATOM 0 HB3 LYS A 32 9.671 10.460 -9.286 1.00 1.24 H new ATOM 0 HG2 LYS A 32 7.484 12.447 -9.994 1.00 1.77 H new ATOM 0 HG3 LYS A 32 8.656 11.756 -11.100 1.00 1.77 H new ATOM 0 HD2 LYS A 32 6.533 10.207 -9.561 1.00 2.22 H new ATOM 0 HD3 LYS A 32 6.470 10.613 -11.264 1.00 2.22 H new ATOM 0 HE2 LYS A 32 8.590 8.864 -9.956 1.00 3.17 H new ATOM 0 HE3 LYS A 32 7.216 8.273 -10.869 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 9.092 8.310 -12.296 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 8.071 9.571 -12.797 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 9.468 9.916 -11.896 1.00 3.77 H new ATOM 205 N LYS A 33 9.736 11.459 -5.792 1.00 0.71 N ATOM 206 CA LYS A 33 10.725 11.130 -4.777 1.00 0.75 C ATOM 207 C LYS A 33 10.150 10.121 -3.785 1.00 0.68 C ATOM 208 O LYS A 33 10.842 9.207 -3.340 1.00 0.78 O ATOM 209 CB LYS A 33 11.178 12.398 -4.051 1.00 0.95 C ATOM 210 CG LYS A 33 12.379 12.194 -3.145 1.00 1.45 C ATOM 211 CD LYS A 33 12.806 13.499 -2.496 1.00 1.86 C ATOM 212 CE LYS A 33 14.089 13.332 -1.700 1.00 2.71 C ATOM 213 NZ LYS A 33 14.493 14.594 -1.030 1.00 3.23 N ATOM 0 H LYS A 33 9.391 12.418 -5.755 1.00 0.71 H new ATOM 0 HA LYS A 33 11.591 10.681 -5.263 1.00 0.75 H new ATOM 0 HB2 LYS A 33 11.419 13.162 -4.791 1.00 0.95 H new ATOM 0 HB3 LYS A 33 10.348 12.781 -3.457 1.00 0.95 H new ATOM 0 HG2 LYS A 33 12.136 11.464 -2.373 1.00 1.45 H new ATOM 0 HG3 LYS A 33 13.208 11.784 -3.722 1.00 1.45 H new ATOM 0 HD2 LYS A 33 12.950 14.259 -3.264 1.00 1.86 H new ATOM 0 HD3 LYS A 33 12.013 13.856 -1.839 1.00 1.86 H new ATOM 0 HE2 LYS A 33 13.953 12.551 -0.952 1.00 2.71 H new ATOM 0 HE3 LYS A 33 14.888 13.002 -2.364 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 15.373 14.438 -0.497 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 14.648 15.333 -1.745 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 13.742 14.896 -0.377 1.00 3.23 H new ATOM 227 N LEU A 34 8.867 10.277 -3.465 1.00 0.61 N ATOM 228 CA LEU A 34 8.194 9.368 -2.546 1.00 0.64 C ATOM 229 C LEU A 34 8.009 8.001 -3.193 1.00 0.53 C ATOM 230 O LEU A 34 8.275 6.967 -2.578 1.00 0.62 O ATOM 231 CB LEU A 34 6.827 9.916 -2.135 1.00 0.70 C ATOM 232 CG LEU A 34 6.099 9.078 -1.080 1.00 0.82 C ATOM 233 CD1 LEU A 34 6.493 9.516 0.320 1.00 1.39 C ATOM 234 CD2 LEU A 34 4.595 9.155 -1.270 1.00 1.38 C ATOM 0 H LEU A 34 8.275 11.024 -3.829 1.00 0.61 H new ATOM 0 HA LEU A 34 8.819 9.272 -1.658 1.00 0.64 H new ATOM 0 HB2 LEU A 34 6.956 10.928 -1.752 1.00 0.70 H new ATOM 0 HB3 LEU A 34 6.197 9.989 -3.022 1.00 0.70 H new ATOM 0 HG LEU A 34 6.400 8.038 -1.206 1.00 0.82 H new ATOM 0 HD11 LEU A 34 5.964 8.908 1.054 1.00 1.39 H new ATOM 0 HD12 LEU A 34 7.568 9.391 0.451 1.00 1.39 H new ATOM 0 HD13 LEU A 34 6.230 10.564 0.461 1.00 1.39 H new ATOM 0 HD21 LEU A 34 4.101 8.552 -0.509 1.00 1.38 H new ATOM 0 HD22 LEU A 34 4.269 10.191 -1.180 1.00 1.38 H new ATOM 0 HD23 LEU A 34 4.333 8.777 -2.258 1.00 1.38 H new ATOM 246 N ILE A 35 7.551 8.012 -4.442 1.00 0.43 N ATOM 247 CA ILE A 35 7.314 6.777 -5.184 1.00 0.43 C ATOM 248 C ILE A 35 8.614 5.998 -5.342 1.00 0.46 C ATOM 249 O ILE A 35 8.643 4.777 -5.193 1.00 0.52 O ATOM 250 CB ILE A 35 6.716 7.054 -6.584 1.00 0.47 C ATOM 251 CG1 ILE A 35 5.381 7.799 -6.471 1.00 0.57 C ATOM 252 CG2 ILE A 35 6.529 5.749 -7.350 1.00 0.61 C ATOM 253 CD1 ILE A 35 4.756 8.121 -7.813 1.00 0.97 C ATOM 0 H ILE A 35 7.336 8.863 -4.962 1.00 0.43 H new ATOM 0 HA ILE A 35 6.595 6.190 -4.612 1.00 0.43 H new ATOM 0 HB ILE A 35 7.415 7.686 -7.132 1.00 0.47 H new ATOM 0 HG12 ILE A 35 4.684 7.195 -5.890 1.00 0.57 H new ATOM 0 HG13 ILE A 35 5.536 8.726 -5.919 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.108 5.961 -8.333 1.00 0.61 H new ATOM 0 HG22 ILE A 35 7.493 5.255 -7.468 1.00 0.61 H new ATOM 0 HG23 ILE A 35 5.852 5.097 -6.798 1.00 0.61 H new ATOM 0 HD11 ILE A 35 3.814 8.648 -7.659 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.434 8.751 -8.388 1.00 0.97 H new ATOM 0 HD13 ILE A 35 4.569 7.196 -8.359 1.00 0.97 H new ATOM 265 N GLU A 36 9.689 6.720 -5.631 1.00 0.51 N ATOM 266 CA GLU A 36 10.995 6.111 -5.815 1.00 0.62 C ATOM 267 C GLU A 36 11.495 5.519 -4.510 1.00 0.63 C ATOM 268 O GLU A 36 12.072 4.442 -4.501 1.00 0.64 O ATOM 269 CB GLU A 36 11.986 7.147 -6.324 1.00 0.79 C ATOM 270 CG GLU A 36 13.302 6.571 -6.809 1.00 0.87 C ATOM 271 CD GLU A 36 13.158 5.844 -8.131 1.00 1.64 C ATOM 272 OE1 GLU A 36 13.114 4.596 -8.132 1.00 2.22 O ATOM 273 OE2 GLU A 36 13.075 6.519 -9.179 1.00 2.42 O ATOM 0 H GLU A 36 9.679 7.734 -5.743 1.00 0.51 H new ATOM 0 HA GLU A 36 10.903 5.311 -6.549 1.00 0.62 H new ATOM 0 HB2 GLU A 36 11.524 7.703 -7.140 1.00 0.79 H new ATOM 0 HB3 GLU A 36 12.188 7.861 -5.526 1.00 0.79 H new ATOM 0 HG2 GLU A 36 14.031 7.375 -6.916 1.00 0.87 H new ATOM 0 HG3 GLU A 36 13.694 5.883 -6.059 1.00 0.87 H new ATOM 280 N GLU A 37 11.273 6.228 -3.411 1.00 0.68 N ATOM 281 CA GLU A 37 11.679 5.741 -2.099 1.00 0.77 C ATOM 282 C GLU A 37 10.980 4.423 -1.787 1.00 0.71 C ATOM 283 O GLU A 37 11.617 3.451 -1.373 1.00 0.79 O ATOM 284 CB GLU A 37 11.365 6.778 -1.020 1.00 0.91 C ATOM 285 CG GLU A 37 12.057 6.501 0.304 1.00 1.41 C ATOM 286 CD GLU A 37 13.565 6.478 0.163 1.00 1.84 C ATOM 287 OE1 GLU A 37 14.151 7.530 -0.172 1.00 2.30 O ATOM 288 OE2 GLU A 37 14.173 5.415 0.379 1.00 2.53 O ATOM 0 H GLU A 37 10.815 7.140 -3.401 1.00 0.68 H new ATOM 0 HA GLU A 37 12.756 5.572 -2.110 1.00 0.77 H new ATOM 0 HB2 GLU A 37 11.662 7.764 -1.377 1.00 0.91 H new ATOM 0 HB3 GLU A 37 10.287 6.809 -0.859 1.00 0.91 H new ATOM 0 HG2 GLU A 37 11.772 7.264 1.028 1.00 1.41 H new ATOM 0 HG3 GLU A 37 11.715 5.544 0.698 1.00 1.41 H new ATOM 295 N ALA A 38 9.672 4.388 -2.011 1.00 0.61 N ATOM 296 CA ALA A 38 8.901 3.173 -1.808 1.00 0.60 C ATOM 297 C ALA A 38 9.371 2.075 -2.756 1.00 0.54 C ATOM 298 O ALA A 38 9.565 0.932 -2.346 1.00 0.59 O ATOM 299 CB ALA A 38 7.415 3.443 -1.995 1.00 0.60 C ATOM 0 H ALA A 38 9.126 5.187 -2.333 1.00 0.61 H new ATOM 0 HA ALA A 38 9.060 2.833 -0.785 1.00 0.60 H new ATOM 0 HB1 ALA A 38 6.855 2.521 -1.839 1.00 0.60 H new ATOM 0 HB2 ALA A 38 7.088 4.193 -1.274 1.00 0.60 H new ATOM 0 HB3 ALA A 38 7.236 3.809 -3.006 1.00 0.60 H new ATOM 305 N ARG A 39 9.568 2.440 -4.021 1.00 0.49 N ATOM 306 CA ARG A 39 10.052 1.506 -5.032 1.00 0.53 C ATOM 307 C ARG A 39 11.406 0.927 -4.633 1.00 0.56 C ATOM 308 O ARG A 39 11.578 -0.291 -4.607 1.00 0.59 O ATOM 309 CB ARG A 39 10.164 2.201 -6.389 1.00 0.60 C ATOM 310 CG ARG A 39 10.627 1.284 -7.510 1.00 0.88 C ATOM 311 CD ARG A 39 10.819 2.047 -8.808 1.00 0.95 C ATOM 312 NE ARG A 39 9.570 2.637 -9.294 1.00 1.37 N ATOM 313 CZ ARG A 39 9.448 3.905 -9.681 1.00 1.97 C ATOM 314 NH1 ARG A 39 10.478 4.741 -9.577 1.00 2.23 N ATOM 315 NH2 ARG A 39 8.288 4.343 -10.157 1.00 2.73 N ATOM 0 H ARG A 39 9.398 3.383 -4.371 1.00 0.49 H new ATOM 0 HA ARG A 39 9.334 0.689 -5.108 1.00 0.53 H new ATOM 0 HB2 ARG A 39 9.194 2.621 -6.653 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.860 3.035 -6.303 1.00 0.60 H new ATOM 0 HG2 ARG A 39 11.564 0.805 -7.226 1.00 0.88 H new ATOM 0 HG3 ARG A 39 9.895 0.490 -7.658 1.00 0.88 H new ATOM 0 HD2 ARG A 39 11.557 2.835 -8.658 1.00 0.95 H new ATOM 0 HD3 ARG A 39 11.220 1.375 -9.566 1.00 0.95 H new ATOM 0 HE ARG A 39 8.744 2.041 -9.339 1.00 1.37 H new ATOM 0 HH11 ARG A 39 11.366 4.411 -9.199 1.00 2.23 H new ATOM 0 HH12 ARG A 39 10.379 5.711 -9.875 1.00 2.23 H new ATOM 0 HH21 ARG A 39 7.493 3.708 -10.226 1.00 2.73 H new ATOM 0 HH22 ARG A 39 8.193 5.314 -10.454 1.00 2.73 H new ATOM 329 N LYS A 40 12.354 1.812 -4.323 1.00 0.59 N ATOM 330 CA LYS A 40 13.686 1.403 -3.874 1.00 0.67 C ATOM 331 C LYS A 40 13.611 0.348 -2.773 1.00 0.65 C ATOM 332 O LYS A 40 14.215 -0.722 -2.881 1.00 0.71 O ATOM 333 CB LYS A 40 14.471 2.606 -3.340 1.00 0.78 C ATOM 334 CG LYS A 40 14.996 3.549 -4.411 1.00 0.83 C ATOM 335 CD LYS A 40 15.843 4.663 -3.803 1.00 1.29 C ATOM 336 CE LYS A 40 15.046 5.487 -2.803 1.00 1.82 C ATOM 337 NZ LYS A 40 15.879 6.507 -2.109 1.00 2.52 N ATOM 0 H LYS A 40 12.223 2.822 -4.375 1.00 0.59 H new ATOM 0 HA LYS A 40 14.193 0.979 -4.740 1.00 0.67 H new ATOM 0 HB2 LYS A 40 13.829 3.169 -2.662 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.313 2.241 -2.752 1.00 0.78 H new ATOM 0 HG2 LYS A 40 15.592 2.989 -5.132 1.00 0.83 H new ATOM 0 HG3 LYS A 40 14.159 3.983 -4.958 1.00 0.83 H new ATOM 0 HD2 LYS A 40 16.713 4.231 -3.309 1.00 1.29 H new ATOM 0 HD3 LYS A 40 16.216 5.312 -4.596 1.00 1.29 H new ATOM 0 HE2 LYS A 40 14.225 5.984 -3.320 1.00 1.82 H new ATOM 0 HE3 LYS A 40 14.601 4.822 -2.063 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 15.267 7.128 -1.542 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 16.562 6.031 -1.485 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 16.391 7.075 -2.814 1.00 2.52 H new ATOM 351 N MET A 41 12.855 0.648 -1.725 1.00 0.64 N ATOM 352 CA MET A 41 12.806 -0.202 -0.543 1.00 0.68 C ATOM 353 C MET A 41 12.046 -1.495 -0.801 1.00 0.63 C ATOM 354 O MET A 41 12.484 -2.569 -0.382 1.00 0.67 O ATOM 355 CB MET A 41 12.184 0.556 0.630 1.00 0.82 C ATOM 356 CG MET A 41 13.036 1.724 1.091 1.00 0.99 C ATOM 357 SD MET A 41 14.675 1.200 1.626 1.00 1.64 S ATOM 358 CE MET A 41 15.507 2.780 1.743 1.00 2.61 C ATOM 0 H MET A 41 12.265 1.478 -1.670 1.00 0.64 H new ATOM 0 HA MET A 41 13.832 -0.472 -0.292 1.00 0.68 H new ATOM 0 HB2 MET A 41 11.199 0.922 0.339 1.00 0.82 H new ATOM 0 HB3 MET A 41 12.035 -0.131 1.463 1.00 0.82 H new ATOM 0 HG2 MET A 41 13.134 2.444 0.278 1.00 0.99 H new ATOM 0 HG3 MET A 41 12.534 2.236 1.912 1.00 0.99 H new ATOM 0 HE1 MET A 41 16.413 2.671 2.338 1.00 2.61 H new ATOM 0 HE2 MET A 41 15.769 3.128 0.744 1.00 2.61 H new ATOM 0 HE3 MET A 41 14.846 3.505 2.218 1.00 2.61 H new ATOM 368 N ALA A 42 10.918 -1.397 -1.493 1.00 0.60 N ATOM 369 CA ALA A 42 10.099 -2.567 -1.778 1.00 0.64 C ATOM 370 C ALA A 42 10.828 -3.532 -2.702 1.00 0.61 C ATOM 371 O ALA A 42 10.875 -4.734 -2.444 1.00 0.66 O ATOM 372 CB ALA A 42 8.766 -2.156 -2.386 1.00 0.75 C ATOM 0 H ALA A 42 10.551 -0.522 -1.866 1.00 0.60 H new ATOM 0 HA ALA A 42 9.907 -3.078 -0.835 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.170 -3.045 -2.591 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.230 -1.513 -1.687 1.00 0.75 H new ATOM 0 HB3 ALA A 42 8.942 -1.615 -3.316 1.00 0.75 H new ATOM 378 N GLU A 43 11.418 -2.999 -3.762 1.00 0.62 N ATOM 379 CA GLU A 43 12.095 -3.823 -4.752 1.00 0.75 C ATOM 380 C GLU A 43 13.347 -4.467 -4.160 1.00 0.71 C ATOM 381 O GLU A 43 13.648 -5.629 -4.439 1.00 0.79 O ATOM 382 CB GLU A 43 12.447 -2.983 -5.981 1.00 0.93 C ATOM 383 CG GLU A 43 12.982 -3.794 -7.148 1.00 1.33 C ATOM 384 CD GLU A 43 12.082 -4.959 -7.509 1.00 1.88 C ATOM 385 OE1 GLU A 43 12.584 -6.099 -7.579 1.00 2.39 O ATOM 386 OE2 GLU A 43 10.866 -4.745 -7.709 1.00 2.57 O ATOM 0 H GLU A 43 11.441 -1.998 -3.958 1.00 0.62 H new ATOM 0 HA GLU A 43 11.421 -4.623 -5.057 1.00 0.75 H new ATOM 0 HB2 GLU A 43 11.559 -2.441 -6.305 1.00 0.93 H new ATOM 0 HB3 GLU A 43 13.190 -2.237 -5.699 1.00 0.93 H new ATOM 0 HG2 GLU A 43 13.095 -3.144 -8.016 1.00 1.33 H new ATOM 0 HG3 GLU A 43 13.975 -4.170 -6.900 1.00 1.33 H new ATOM 393 N LYS A 44 14.063 -3.722 -3.324 1.00 0.68 N ATOM 394 CA LYS A 44 15.263 -4.245 -2.679 1.00 0.77 C ATOM 395 C LYS A 44 14.906 -5.378 -1.719 1.00 0.69 C ATOM 396 O LYS A 44 15.668 -6.331 -1.557 1.00 0.80 O ATOM 397 CB LYS A 44 16.010 -3.131 -1.936 1.00 0.92 C ATOM 398 CG LYS A 44 17.263 -3.610 -1.214 1.00 1.42 C ATOM 399 CD LYS A 44 18.046 -2.456 -0.603 1.00 1.99 C ATOM 400 CE LYS A 44 18.668 -1.571 -1.673 1.00 2.49 C ATOM 401 NZ LYS A 44 19.429 -0.437 -1.084 1.00 2.98 N ATOM 0 H LYS A 44 13.835 -2.759 -3.078 1.00 0.68 H new ATOM 0 HA LYS A 44 15.920 -4.641 -3.454 1.00 0.77 H new ATOM 0 HB2 LYS A 44 16.287 -2.354 -2.648 1.00 0.92 H new ATOM 0 HB3 LYS A 44 15.336 -2.674 -1.211 1.00 0.92 H new ATOM 0 HG2 LYS A 44 16.983 -4.313 -0.430 1.00 1.42 H new ATOM 0 HG3 LYS A 44 17.900 -4.150 -1.914 1.00 1.42 H new ATOM 0 HD2 LYS A 44 17.384 -1.859 0.024 1.00 1.99 H new ATOM 0 HD3 LYS A 44 18.829 -2.850 0.045 1.00 1.99 H new ATOM 0 HE2 LYS A 44 19.333 -2.169 -2.297 1.00 2.49 H new ATOM 0 HE3 LYS A 44 17.884 -1.183 -2.323 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 19.836 0.141 -1.847 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 18.790 0.149 -0.509 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 20.194 -0.807 -0.484 1.00 2.98 H new ATOM 415 N ALA A 45 13.735 -5.285 -1.104 1.00 0.61 N ATOM 416 CA ALA A 45 13.279 -6.309 -0.173 1.00 0.64 C ATOM 417 C ALA A 45 12.535 -7.428 -0.903 1.00 0.60 C ATOM 418 O ALA A 45 12.044 -8.367 -0.273 1.00 0.71 O ATOM 419 CB ALA A 45 12.397 -5.691 0.901 1.00 0.76 C ATOM 0 H ALA A 45 13.083 -4.511 -1.233 1.00 0.61 H new ATOM 0 HA ALA A 45 14.155 -6.748 0.304 1.00 0.64 H new ATOM 0 HB1 ALA A 45 12.064 -6.468 1.589 1.00 0.76 H new ATOM 0 HB2 ALA A 45 12.964 -4.939 1.449 1.00 0.76 H new ATOM 0 HB3 ALA A 45 11.530 -5.223 0.435 1.00 0.76 H new ATOM 425 N ASN A 46 12.469 -7.313 -2.232 1.00 0.56 N ATOM 426 CA ASN A 46 11.821 -8.312 -3.093 1.00 0.65 C ATOM 427 C ASN A 46 10.317 -8.370 -2.848 1.00 0.62 C ATOM 428 O ASN A 46 9.694 -9.425 -2.967 1.00 0.80 O ATOM 429 CB ASN A 46 12.441 -9.700 -2.901 1.00 0.83 C ATOM 430 CG ASN A 46 13.838 -9.799 -3.477 1.00 1.46 C ATOM 431 OD1 ASN A 46 14.824 -9.487 -2.809 1.00 2.11 O ATOM 432 ND2 ASN A 46 13.938 -10.242 -4.721 1.00 2.22 N ATOM 0 H ASN A 46 12.863 -6.524 -2.744 1.00 0.56 H new ATOM 0 HA ASN A 46 11.987 -8.000 -4.124 1.00 0.65 H new ATOM 0 HB2 ASN A 46 12.473 -9.935 -1.837 1.00 0.83 H new ATOM 0 HB3 ASN A 46 11.803 -10.447 -3.374 1.00 0.83 H new ATOM 0 HD21 ASN A 46 14.855 -10.334 -5.157 1.00 2.22 H new ATOM 0 HD22 ASN A 46 13.098 -10.491 -5.243 1.00 2.22 H new ATOM 439 N LEU A 47 9.740 -7.227 -2.520 1.00 0.48 N ATOM 440 CA LEU A 47 8.308 -7.131 -2.296 1.00 0.48 C ATOM 441 C LEU A 47 7.619 -6.714 -3.584 1.00 0.45 C ATOM 442 O LEU A 47 8.169 -5.932 -4.360 1.00 0.53 O ATOM 443 CB LEU A 47 8.011 -6.118 -1.190 1.00 0.51 C ATOM 444 CG LEU A 47 8.787 -6.327 0.112 1.00 0.58 C ATOM 445 CD1 LEU A 47 8.418 -5.261 1.127 1.00 1.10 C ATOM 446 CD2 LEU A 47 8.527 -7.712 0.681 1.00 1.11 C ATOM 0 H LEU A 47 10.244 -6.348 -2.402 1.00 0.48 H new ATOM 0 HA LEU A 47 7.930 -8.105 -1.984 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.228 -5.119 -1.567 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.944 -6.150 -0.967 1.00 0.51 H new ATOM 0 HG LEU A 47 9.851 -6.244 -0.110 1.00 0.58 H new ATOM 0 HD11 LEU A 47 8.979 -5.425 2.047 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.659 -4.277 0.725 1.00 1.10 H new ATOM 0 HD13 LEU A 47 7.350 -5.314 1.339 1.00 1.10 H new ATOM 0 HD21 LEU A 47 9.090 -7.837 1.606 1.00 1.11 H new ATOM 0 HD22 LEU A 47 7.463 -7.828 0.885 1.00 1.11 H new ATOM 0 HD23 LEU A 47 8.842 -8.467 -0.040 1.00 1.11 H new ATOM 458 N GLU A 48 6.422 -7.228 -3.810 1.00 0.43 N ATOM 459 CA GLU A 48 5.705 -6.955 -5.039 1.00 0.47 C ATOM 460 C GLU A 48 4.945 -5.637 -4.919 1.00 0.45 C ATOM 461 O GLU A 48 3.871 -5.576 -4.320 1.00 0.49 O ATOM 462 CB GLU A 48 4.764 -8.122 -5.341 1.00 0.58 C ATOM 463 CG GLU A 48 4.144 -8.075 -6.722 1.00 0.80 C ATOM 464 CD GLU A 48 3.653 -9.435 -7.172 1.00 1.27 C ATOM 465 OE1 GLU A 48 4.502 -10.328 -7.389 1.00 2.13 O ATOM 466 OE2 GLU A 48 2.426 -9.625 -7.314 1.00 1.74 O ATOM 0 H GLU A 48 5.928 -7.836 -3.157 1.00 0.43 H new ATOM 0 HA GLU A 48 6.407 -6.855 -5.867 1.00 0.47 H new ATOM 0 HB2 GLU A 48 5.315 -9.056 -5.233 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.967 -8.134 -4.597 1.00 0.58 H new ATOM 0 HG2 GLU A 48 3.312 -7.371 -6.722 1.00 0.80 H new ATOM 0 HG3 GLU A 48 4.878 -7.700 -7.436 1.00 0.80 H new ATOM 473 N LEU A 49 5.527 -4.580 -5.475 1.00 0.46 N ATOM 474 CA LEU A 49 4.964 -3.239 -5.363 1.00 0.50 C ATOM 475 C LEU A 49 4.156 -2.866 -6.601 1.00 0.45 C ATOM 476 O LEU A 49 4.641 -2.968 -7.731 1.00 0.54 O ATOM 477 CB LEU A 49 6.082 -2.214 -5.151 1.00 0.67 C ATOM 478 CG LEU A 49 5.635 -0.749 -5.093 1.00 0.75 C ATOM 479 CD1 LEU A 49 4.771 -0.491 -3.873 1.00 1.49 C ATOM 480 CD2 LEU A 49 6.838 0.173 -5.087 1.00 0.99 C ATOM 0 H LEU A 49 6.394 -4.627 -6.011 1.00 0.46 H new ATOM 0 HA LEU A 49 4.293 -3.233 -4.504 1.00 0.50 H new ATOM 0 HB2 LEU A 49 6.599 -2.454 -4.222 1.00 0.67 H new ATOM 0 HB3 LEU A 49 6.807 -2.322 -5.957 1.00 0.67 H new ATOM 0 HG LEU A 49 5.039 -0.544 -5.983 1.00 0.75 H new ATOM 0 HD11 LEU A 49 4.468 0.556 -3.857 1.00 1.49 H new ATOM 0 HD12 LEU A 49 3.885 -1.125 -3.914 1.00 1.49 H new ATOM 0 HD13 LEU A 49 5.338 -0.719 -2.971 1.00 1.49 H new ATOM 0 HD21 LEU A 49 6.502 1.209 -5.046 1.00 0.99 H new ATOM 0 HD22 LEU A 49 7.457 -0.043 -4.216 1.00 0.99 H new ATOM 0 HD23 LEU A 49 7.421 0.017 -5.995 1.00 0.99 H new ATOM 492 N ILE A 50 2.922 -2.438 -6.379 1.00 0.39 N ATOM 493 CA ILE A 50 2.066 -1.966 -7.454 1.00 0.43 C ATOM 494 C ILE A 50 1.749 -0.485 -7.250 1.00 0.40 C ATOM 495 O ILE A 50 1.364 -0.065 -6.155 1.00 0.37 O ATOM 496 CB ILE A 50 0.747 -2.784 -7.553 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.005 -4.184 -8.131 1.00 0.60 C ATOM 498 CG2 ILE A 50 -0.289 -2.057 -8.401 1.00 0.62 C ATOM 499 CD1 ILE A 50 1.682 -5.144 -7.174 1.00 1.31 C ATOM 0 H ILE A 50 2.490 -2.409 -5.456 1.00 0.39 H new ATOM 0 HA ILE A 50 2.606 -2.103 -8.391 1.00 0.43 H new ATOM 0 HB ILE A 50 0.356 -2.891 -6.541 1.00 0.50 H new ATOM 0 HG12 ILE A 50 0.054 -4.614 -8.445 1.00 0.60 H new ATOM 0 HG13 ILE A 50 1.622 -4.086 -9.025 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -1.200 -2.653 -8.452 1.00 0.62 H new ATOM 0 HG22 ILE A 50 -0.513 -1.089 -7.952 1.00 0.62 H new ATOM 0 HG23 ILE A 50 0.104 -1.908 -9.407 1.00 0.62 H new ATOM 0 HD11 ILE A 50 1.825 -6.107 -7.665 1.00 1.31 H new ATOM 0 HD12 ILE A 50 2.650 -4.740 -6.878 1.00 1.31 H new ATOM 0 HD13 ILE A 50 1.059 -5.277 -6.290 1.00 1.31 H new ATOM 511 N THR A 51 1.945 0.303 -8.294 1.00 0.48 N ATOM 512 CA THR A 51 1.679 1.730 -8.242 1.00 0.52 C ATOM 513 C THR A 51 0.226 2.030 -8.604 1.00 0.56 C ATOM 514 O THR A 51 -0.277 1.575 -9.633 1.00 0.66 O ATOM 515 CB THR A 51 2.622 2.496 -9.189 1.00 0.63 C ATOM 516 OG1 THR A 51 2.744 1.791 -10.434 1.00 1.19 O ATOM 517 CG2 THR A 51 3.998 2.673 -8.566 1.00 1.20 C ATOM 0 H THR A 51 2.291 -0.026 -9.196 1.00 0.48 H new ATOM 0 HA THR A 51 1.859 2.063 -7.220 1.00 0.52 H new ATOM 0 HB THR A 51 2.195 3.483 -9.367 1.00 0.63 H new ATOM 0 HG1 THR A 51 3.344 2.284 -11.032 1.00 1.19 H new ATOM 0 HG21 THR A 51 4.643 3.217 -9.256 1.00 1.20 H new ATOM 0 HG22 THR A 51 3.907 3.234 -7.636 1.00 1.20 H new ATOM 0 HG23 THR A 51 4.432 1.695 -8.358 1.00 1.20 H new ATOM 525 N VAL A 52 -0.445 2.785 -7.746 1.00 0.68 N ATOM 526 CA VAL A 52 -1.839 3.151 -7.960 1.00 0.78 C ATOM 527 C VAL A 52 -1.973 4.654 -8.166 1.00 0.85 C ATOM 528 O VAL A 52 -1.197 5.427 -7.603 1.00 1.66 O ATOM 529 CB VAL A 52 -2.707 2.717 -6.755 1.00 1.35 C ATOM 530 CG1 VAL A 52 -4.051 3.440 -6.739 1.00 1.77 C ATOM 531 CG2 VAL A 52 -2.916 1.213 -6.787 1.00 1.95 C ATOM 0 H VAL A 52 -0.042 3.159 -6.887 1.00 0.68 H new ATOM 0 HA VAL A 52 -2.187 2.636 -8.855 1.00 0.78 H new ATOM 0 HB VAL A 52 -2.178 2.990 -5.842 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -4.632 3.109 -5.878 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -3.885 4.515 -6.673 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -4.597 3.213 -7.655 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -3.528 0.912 -5.936 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -3.420 0.935 -7.713 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -1.950 0.710 -6.735 1.00 1.95 H new ATOM 541 N PRO A 53 -2.939 5.086 -9.004 1.00 0.73 N ATOM 542 CA PRO A 53 -3.312 6.494 -9.140 1.00 0.90 C ATOM 543 C PRO A 53 -3.531 7.171 -7.784 1.00 0.88 C ATOM 544 O PRO A 53 -3.765 6.516 -6.769 1.00 1.64 O ATOM 545 CB PRO A 53 -4.626 6.455 -9.938 1.00 1.83 C ATOM 546 CG PRO A 53 -5.020 5.017 -9.996 1.00 2.29 C ATOM 547 CD PRO A 53 -3.741 4.242 -9.900 1.00 1.49 C ATOM 0 HA PRO A 53 -2.526 7.072 -9.626 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -5.397 7.053 -9.452 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -4.489 6.864 -10.939 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -5.694 4.763 -9.178 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -5.545 4.792 -10.924 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -3.898 3.245 -9.489 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -3.267 4.115 -10.873 1.00 1.49 H new ATOM 555 N GLY A 54 -3.470 8.489 -7.794 1.00 1.49 N ATOM 556 CA GLY A 54 -3.433 9.271 -6.568 1.00 2.14 C ATOM 557 C GLY A 54 -4.709 9.223 -5.742 1.00 1.80 C ATOM 558 O GLY A 54 -4.753 9.780 -4.642 1.00 2.08 O ATOM 0 H GLY A 54 -3.445 9.048 -8.647 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -2.605 8.917 -5.953 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -3.220 10.309 -6.822 1.00 2.14 H new ATOM 562 N SER A 55 -5.743 8.571 -6.252 1.00 1.36 N ATOM 563 CA SER A 55 -6.995 8.455 -5.525 1.00 0.97 C ATOM 564 C SER A 55 -6.999 7.200 -4.652 1.00 0.64 C ATOM 565 O SER A 55 -6.897 6.079 -5.159 1.00 0.50 O ATOM 566 CB SER A 55 -8.162 8.412 -6.511 1.00 1.19 C ATOM 567 OG SER A 55 -8.097 9.501 -7.420 1.00 1.75 O ATOM 0 H SER A 55 -5.739 8.116 -7.165 1.00 1.36 H new ATOM 0 HA SER A 55 -7.103 9.324 -4.876 1.00 0.97 H new ATOM 0 HB2 SER A 55 -8.144 7.472 -7.062 1.00 1.19 H new ATOM 0 HB3 SER A 55 -9.105 8.444 -5.966 1.00 1.19 H new ATOM 0 HG SER A 55 -8.852 9.453 -8.043 1.00 1.75 H new ATOM 573 N PRO A 56 -7.121 7.381 -3.321 1.00 0.66 N ATOM 574 CA PRO A 56 -7.173 6.273 -2.350 1.00 0.58 C ATOM 575 C PRO A 56 -8.263 5.258 -2.670 1.00 0.53 C ATOM 576 O PRO A 56 -8.160 4.087 -2.305 1.00 0.62 O ATOM 577 CB PRO A 56 -7.493 6.977 -1.032 1.00 0.70 C ATOM 578 CG PRO A 56 -6.962 8.354 -1.203 1.00 1.09 C ATOM 579 CD PRO A 56 -7.185 8.695 -2.650 1.00 0.87 C ATOM 0 HA PRO A 56 -6.244 5.703 -2.343 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -8.566 6.987 -0.838 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -7.022 6.472 -0.189 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -7.479 9.057 -0.550 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -5.903 8.401 -0.948 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -8.149 9.180 -2.805 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -6.421 9.376 -3.025 1.00 0.87 H new ATOM 587 N GLU A 57 -9.302 5.731 -3.346 1.00 0.62 N ATOM 588 CA GLU A 57 -10.427 4.895 -3.749 1.00 0.80 C ATOM 589 C GLU A 57 -9.948 3.651 -4.494 1.00 0.67 C ATOM 590 O GLU A 57 -10.351 2.528 -4.182 1.00 0.67 O ATOM 591 CB GLU A 57 -11.366 5.687 -4.657 1.00 1.14 C ATOM 592 CG GLU A 57 -11.788 7.034 -4.093 1.00 1.80 C ATOM 593 CD GLU A 57 -12.701 7.788 -5.035 1.00 1.95 C ATOM 594 OE1 GLU A 57 -13.933 7.611 -4.947 1.00 2.06 O ATOM 595 OE2 GLU A 57 -12.191 8.557 -5.875 1.00 2.70 O ATOM 0 H GLU A 57 -9.389 6.706 -3.631 1.00 0.62 H new ATOM 0 HA GLU A 57 -10.954 4.585 -2.847 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -10.876 5.845 -5.618 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -12.258 5.090 -4.848 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -12.296 6.884 -3.140 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -10.901 7.635 -3.891 1.00 1.80 H new ATOM 602 N GLU A 58 -9.071 3.863 -5.464 1.00 0.61 N ATOM 603 CA GLU A 58 -8.594 2.785 -6.315 1.00 0.56 C ATOM 604 C GLU A 58 -7.491 1.990 -5.636 1.00 0.50 C ATOM 605 O GLU A 58 -7.313 0.807 -5.917 1.00 0.54 O ATOM 606 CB GLU A 58 -8.100 3.343 -7.647 1.00 0.62 C ATOM 607 CG GLU A 58 -9.215 3.922 -8.499 1.00 1.18 C ATOM 608 CD GLU A 58 -10.246 2.880 -8.881 1.00 1.57 C ATOM 609 OE1 GLU A 58 -11.204 2.663 -8.109 1.00 2.30 O ATOM 610 OE2 GLU A 58 -10.106 2.269 -9.959 1.00 2.01 O ATOM 0 H GLU A 58 -8.674 4.777 -5.681 1.00 0.61 H new ATOM 0 HA GLU A 58 -9.429 2.109 -6.500 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -7.357 4.117 -7.457 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -7.600 2.550 -8.203 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -9.703 4.730 -7.955 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -8.790 4.358 -9.403 1.00 1.18 H new ATOM 617 N ALA A 59 -6.759 2.640 -4.740 1.00 0.52 N ATOM 618 CA ALA A 59 -5.667 1.992 -4.025 1.00 0.59 C ATOM 619 C ALA A 59 -6.160 0.781 -3.250 1.00 0.50 C ATOM 620 O ALA A 59 -5.639 -0.322 -3.401 1.00 0.50 O ATOM 621 CB ALA A 59 -4.989 2.979 -3.086 1.00 0.78 C ATOM 0 H ALA A 59 -6.903 3.619 -4.491 1.00 0.52 H new ATOM 0 HA ALA A 59 -4.940 1.649 -4.761 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -4.176 2.480 -2.559 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -4.590 3.814 -3.662 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -5.715 3.351 -2.363 1.00 0.78 H new ATOM 627 N ILE A 60 -7.191 0.979 -2.446 1.00 0.51 N ATOM 628 CA ILE A 60 -7.695 -0.090 -1.598 1.00 0.52 C ATOM 629 C ILE A 60 -8.383 -1.160 -2.440 1.00 0.50 C ATOM 630 O ILE A 60 -8.273 -2.356 -2.164 1.00 0.52 O ATOM 631 CB ILE A 60 -8.690 0.427 -0.539 1.00 0.63 C ATOM 632 CG1 ILE A 60 -8.267 1.802 -0.004 1.00 0.79 C ATOM 633 CG2 ILE A 60 -8.798 -0.574 0.601 1.00 0.74 C ATOM 634 CD1 ILE A 60 -6.872 1.838 0.580 1.00 1.03 C ATOM 0 H ILE A 60 -7.693 1.863 -2.362 1.00 0.51 H new ATOM 0 HA ILE A 60 -6.833 -0.514 -1.083 1.00 0.52 H new ATOM 0 HB ILE A 60 -9.666 0.539 -1.012 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -8.329 2.529 -0.814 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -8.977 2.116 0.761 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -9.502 -0.203 1.346 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.150 -1.530 0.214 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -7.819 -0.707 1.062 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -6.652 2.845 0.935 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -6.808 1.138 1.413 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -6.149 1.557 -0.186 1.00 1.03 H new ATOM 646 N ARG A 61 -9.070 -0.720 -3.488 1.00 0.51 N ATOM 647 CA ARG A 61 -9.804 -1.628 -4.358 1.00 0.57 C ATOM 648 C ARG A 61 -8.835 -2.493 -5.167 1.00 0.55 C ATOM 649 O ARG A 61 -9.136 -3.637 -5.507 1.00 0.67 O ATOM 650 CB ARG A 61 -10.729 -0.836 -5.288 1.00 0.63 C ATOM 651 CG ARG A 61 -11.753 -1.699 -6.006 1.00 0.68 C ATOM 652 CD ARG A 61 -12.721 -0.866 -6.838 1.00 0.85 C ATOM 653 NE ARG A 61 -12.069 -0.195 -7.968 1.00 1.75 N ATOM 654 CZ ARG A 61 -12.206 -0.580 -9.239 1.00 2.33 C ATOM 655 NH1 ARG A 61 -12.876 -1.687 -9.535 1.00 2.28 N ATOM 656 NH2 ARG A 61 -11.657 0.133 -10.216 1.00 3.35 N ATOM 0 H ARG A 61 -9.133 0.262 -3.755 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.415 -2.287 -3.742 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -11.251 -0.076 -4.707 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -10.124 -0.312 -6.028 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -11.238 -2.410 -6.653 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -12.313 -2.281 -5.274 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -13.517 -1.510 -7.214 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -13.191 -0.118 -6.199 1.00 0.85 H new ATOM 0 HE ARG A 61 -11.477 0.612 -7.771 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -13.289 -2.248 -8.790 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -12.978 -1.977 -10.508 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -11.129 0.977 -9.996 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -11.764 -0.164 -11.186 1.00 3.35 H new ATOM 670 N LEU A 62 -7.667 -1.939 -5.463 1.00 0.47 N ATOM 671 CA LEU A 62 -6.632 -2.662 -6.190 1.00 0.50 C ATOM 672 C LEU A 62 -6.008 -3.715 -5.272 1.00 0.43 C ATOM 673 O LEU A 62 -5.789 -4.856 -5.675 1.00 0.45 O ATOM 674 CB LEU A 62 -5.566 -1.672 -6.689 1.00 0.59 C ATOM 675 CG LEU A 62 -4.726 -2.095 -7.911 1.00 0.69 C ATOM 676 CD1 LEU A 62 -3.978 -3.394 -7.671 1.00 1.22 C ATOM 677 CD2 LEU A 62 -5.599 -2.202 -9.151 1.00 1.03 C ATOM 0 H LEU A 62 -7.411 -0.985 -5.209 1.00 0.47 H new ATOM 0 HA LEU A 62 -7.067 -3.165 -7.053 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -6.064 -0.733 -6.931 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -4.883 -1.467 -5.864 1.00 0.59 H new ATOM 0 HG LEU A 62 -3.979 -1.318 -8.072 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -3.401 -3.651 -8.559 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -3.304 -3.275 -6.822 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -4.691 -4.191 -7.459 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -4.987 -2.502 -10.002 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -6.378 -2.946 -8.984 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -6.059 -1.235 -9.357 1.00 1.03 H new ATOM 689 N ALA A 63 -5.747 -3.323 -4.029 1.00 0.41 N ATOM 690 CA ALA A 63 -5.154 -4.221 -3.044 1.00 0.42 C ATOM 691 C ALA A 63 -5.997 -5.478 -2.865 1.00 0.46 C ATOM 692 O ALA A 63 -5.469 -6.592 -2.825 1.00 0.49 O ATOM 693 CB ALA A 63 -4.986 -3.505 -1.717 1.00 0.49 C ATOM 0 H ALA A 63 -5.938 -2.384 -3.679 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.173 -4.525 -3.410 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.543 -4.185 -0.990 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.335 -2.641 -1.850 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -5.960 -3.173 -1.357 1.00 0.49 H new ATOM 699 N GLN A 64 -7.311 -5.292 -2.769 1.00 0.52 N ATOM 700 CA GLN A 64 -8.236 -6.410 -2.627 1.00 0.64 C ATOM 701 C GLN A 64 -8.158 -7.332 -3.841 1.00 0.62 C ATOM 702 O GLN A 64 -8.231 -8.553 -3.711 1.00 0.69 O ATOM 703 CB GLN A 64 -9.669 -5.904 -2.446 1.00 0.77 C ATOM 704 CG GLN A 64 -10.687 -7.024 -2.305 1.00 1.11 C ATOM 705 CD GLN A 64 -12.110 -6.522 -2.155 1.00 1.39 C ATOM 706 OE1 GLN A 64 -12.354 -5.448 -1.604 1.00 1.95 O ATOM 707 NE2 GLN A 64 -13.060 -7.299 -2.649 1.00 2.12 N ATOM 0 H GLN A 64 -7.758 -4.376 -2.787 1.00 0.52 H new ATOM 0 HA GLN A 64 -7.949 -6.975 -1.740 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -9.714 -5.268 -1.562 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -9.938 -5.282 -3.300 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -10.628 -7.673 -3.179 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -10.430 -7.633 -1.438 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -12.815 -8.181 -3.098 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -14.037 -7.016 -2.581 1.00 2.12 H new ATOM 716 N GLU A 65 -7.997 -6.736 -5.018 1.00 0.58 N ATOM 717 CA GLU A 65 -7.907 -7.493 -6.260 1.00 0.63 C ATOM 718 C GLU A 65 -6.704 -8.425 -6.233 1.00 0.55 C ATOM 719 O GLU A 65 -6.831 -9.617 -6.511 1.00 0.62 O ATOM 720 CB GLU A 65 -7.816 -6.543 -7.455 1.00 0.69 C ATOM 721 CG GLU A 65 -7.770 -7.255 -8.794 1.00 1.24 C ATOM 722 CD GLU A 65 -7.716 -6.298 -9.963 1.00 1.50 C ATOM 723 OE1 GLU A 65 -6.603 -5.908 -10.367 1.00 2.21 O ATOM 724 OE2 GLU A 65 -8.789 -5.937 -10.489 1.00 1.95 O ATOM 0 H GLU A 65 -7.926 -5.725 -5.137 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.808 -8.097 -6.361 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -8.673 -5.870 -7.440 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -6.924 -5.925 -7.350 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -6.898 -7.908 -8.824 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -8.649 -7.893 -8.892 1.00 1.24 H new ATOM 731 N ILE A 66 -5.540 -7.890 -5.874 1.00 0.46 N ATOM 732 CA ILE A 66 -4.331 -8.695 -5.828 1.00 0.46 C ATOM 733 C ILE A 66 -4.441 -9.793 -4.776 1.00 0.43 C ATOM 734 O ILE A 66 -4.061 -10.933 -5.024 1.00 0.48 O ATOM 735 CB ILE A 66 -3.087 -7.837 -5.536 1.00 0.54 C ATOM 736 CG1 ILE A 66 -2.970 -6.720 -6.570 1.00 0.66 C ATOM 737 CG2 ILE A 66 -1.835 -8.704 -5.541 1.00 0.64 C ATOM 738 CD1 ILE A 66 -1.764 -5.834 -6.370 1.00 0.53 C ATOM 0 H ILE A 66 -5.412 -6.912 -5.614 1.00 0.46 H new ATOM 0 HA ILE A 66 -4.220 -9.149 -6.813 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.190 -7.388 -4.548 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -2.925 -7.161 -7.566 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -3.871 -6.107 -6.534 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -0.963 -8.084 -5.333 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -1.923 -9.475 -4.776 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.722 -9.174 -6.518 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -1.747 -5.064 -7.141 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -1.817 -5.364 -5.388 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -0.857 -6.434 -6.436 1.00 0.53 H new ATOM 750 N ALA A 67 -4.981 -9.449 -3.613 1.00 0.44 N ATOM 751 CA ALA A 67 -5.095 -10.400 -2.515 1.00 0.51 C ATOM 752 C ALA A 67 -6.072 -11.526 -2.852 1.00 0.55 C ATOM 753 O ALA A 67 -5.880 -12.674 -2.447 1.00 0.63 O ATOM 754 CB ALA A 67 -5.516 -9.687 -1.242 1.00 0.60 C ATOM 0 H ALA A 67 -5.346 -8.519 -3.406 1.00 0.44 H new ATOM 0 HA ALA A 67 -4.115 -10.851 -2.356 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -5.597 -10.410 -0.430 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.772 -8.933 -0.984 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.481 -9.205 -1.397 1.00 0.60 H new ATOM 760 N GLU A 68 -7.120 -11.190 -3.593 1.00 0.60 N ATOM 761 CA GLU A 68 -8.101 -12.177 -4.029 1.00 0.73 C ATOM 762 C GLU A 68 -7.502 -13.090 -5.093 1.00 0.73 C ATOM 763 O GLU A 68 -7.742 -14.296 -5.104 1.00 0.87 O ATOM 764 CB GLU A 68 -9.345 -11.468 -4.580 1.00 0.83 C ATOM 765 CG GLU A 68 -10.398 -12.403 -5.164 1.00 1.10 C ATOM 766 CD GLU A 68 -10.929 -13.399 -4.154 1.00 1.71 C ATOM 767 OE1 GLU A 68 -10.887 -14.615 -4.433 1.00 2.46 O ATOM 768 OE2 GLU A 68 -11.381 -12.973 -3.075 1.00 2.22 O ATOM 0 H GLU A 68 -7.313 -10.239 -3.906 1.00 0.60 H new ATOM 0 HA GLU A 68 -8.389 -12.787 -3.173 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.799 -10.884 -3.780 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -9.034 -10.764 -5.352 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -11.227 -11.811 -5.553 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -9.969 -12.943 -6.008 1.00 1.10 H new ATOM 775 N LYS A 69 -6.700 -12.509 -5.969 1.00 0.65 N ATOM 776 CA LYS A 69 -6.144 -13.236 -7.100 1.00 0.71 C ATOM 777 C LYS A 69 -4.734 -13.741 -6.800 1.00 0.73 C ATOM 778 O LYS A 69 -3.968 -14.049 -7.713 1.00 0.92 O ATOM 779 CB LYS A 69 -6.136 -12.336 -8.338 1.00 0.73 C ATOM 780 CG LYS A 69 -7.517 -11.821 -8.721 1.00 0.77 C ATOM 781 CD LYS A 69 -8.426 -12.929 -9.253 1.00 1.29 C ATOM 782 CE LYS A 69 -8.124 -13.303 -10.704 1.00 1.73 C ATOM 783 NZ LYS A 69 -6.854 -14.065 -10.863 1.00 2.41 N ATOM 0 H LYS A 69 -6.417 -11.530 -5.919 1.00 0.65 H new ATOM 0 HA LYS A 69 -6.772 -14.106 -7.290 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -5.477 -11.487 -8.156 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -5.717 -12.890 -9.178 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -7.983 -11.359 -7.851 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -7.415 -11.044 -9.478 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -8.317 -13.813 -8.625 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -9.465 -12.608 -9.175 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -8.948 -13.898 -11.098 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -8.072 -12.394 -11.303 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -6.955 -14.751 -11.638 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -6.079 -13.407 -11.082 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -6.640 -14.570 -9.980 1.00 2.41 H new ATOM 797 N ALA A 70 -4.402 -13.828 -5.520 1.00 0.67 N ATOM 798 CA ALA A 70 -3.094 -14.310 -5.102 1.00 0.71 C ATOM 799 C ALA A 70 -3.164 -15.764 -4.661 1.00 0.69 C ATOM 800 O ALA A 70 -3.912 -16.105 -3.741 1.00 0.68 O ATOM 801 CB ALA A 70 -2.544 -13.460 -3.971 1.00 0.78 C ATOM 0 H ALA A 70 -5.022 -13.571 -4.752 1.00 0.67 H new ATOM 0 HA ALA A 70 -2.426 -14.236 -5.960 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -1.566 -13.838 -3.674 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -2.448 -12.427 -4.306 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -3.223 -13.504 -3.120 1.00 0.78 H new ATOM 807 N PRO A 71 -2.400 -16.644 -5.316 1.00 0.84 N ATOM 808 CA PRO A 71 -2.318 -18.043 -4.923 1.00 0.90 C ATOM 809 C PRO A 71 -1.368 -18.248 -3.743 1.00 0.81 C ATOM 810 O PRO A 71 -0.145 -18.143 -3.881 1.00 0.93 O ATOM 811 CB PRO A 71 -1.777 -18.723 -6.181 1.00 1.19 C ATOM 812 CG PRO A 71 -0.965 -17.676 -6.867 1.00 1.34 C ATOM 813 CD PRO A 71 -1.575 -16.345 -6.501 1.00 1.08 C ATOM 0 HA PRO A 71 -3.276 -18.442 -4.589 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -1.169 -19.592 -5.929 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -2.588 -19.075 -6.819 1.00 1.19 H new ATOM 0 HG2 PRO A 71 0.077 -17.725 -6.550 1.00 1.34 H new ATOM 0 HG3 PRO A 71 -0.977 -17.823 -7.947 1.00 1.34 H new ATOM 0 HD2 PRO A 71 -0.809 -15.603 -6.277 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -2.178 -15.945 -7.316 1.00 1.08 H new ATOM 821 N GLY A 72 -1.936 -18.534 -2.584 1.00 0.75 N ATOM 822 CA GLY A 72 -1.135 -18.786 -1.402 1.00 0.77 C ATOM 823 C GLY A 72 -1.378 -17.748 -0.326 1.00 0.63 C ATOM 824 O GLY A 72 -2.298 -16.937 -0.449 1.00 0.62 O ATOM 0 H GLY A 72 -2.944 -18.597 -2.438 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -1.367 -19.777 -1.010 1.00 0.77 H new ATOM 0 HA3 GLY A 72 -0.079 -18.789 -1.672 1.00 0.77 H new ATOM 828 N PRO A 73 -0.577 -17.752 0.752 1.00 0.61 N ATOM 829 CA PRO A 73 -0.697 -16.761 1.826 1.00 0.58 C ATOM 830 C PRO A 73 -0.326 -15.362 1.342 1.00 0.48 C ATOM 831 O PRO A 73 0.802 -15.125 0.900 1.00 0.54 O ATOM 832 CB PRO A 73 0.292 -17.253 2.887 1.00 0.71 C ATOM 833 CG PRO A 73 1.266 -18.104 2.146 1.00 0.90 C ATOM 834 CD PRO A 73 0.501 -18.723 1.010 1.00 0.73 C ATOM 0 HA PRO A 73 -1.717 -16.677 2.201 1.00 0.58 H new ATOM 0 HB2 PRO A 73 0.792 -16.418 3.377 1.00 0.71 H new ATOM 0 HB3 PRO A 73 -0.216 -17.822 3.666 1.00 0.71 H new ATOM 0 HG2 PRO A 73 2.100 -17.508 1.775 1.00 0.90 H new ATOM 0 HG3 PRO A 73 1.686 -18.871 2.796 1.00 0.90 H new ATOM 0 HD2 PRO A 73 1.131 -18.866 0.132 1.00 0.73 H new ATOM 0 HD3 PRO A 73 0.104 -19.702 1.280 1.00 0.73 H new ATOM 842 N VAL A 74 -1.275 -14.442 1.425 1.00 0.48 N ATOM 843 CA VAL A 74 -1.080 -13.097 0.909 1.00 0.46 C ATOM 844 C VAL A 74 -1.466 -12.045 1.945 1.00 0.44 C ATOM 845 O VAL A 74 -2.412 -12.229 2.715 1.00 0.56 O ATOM 846 CB VAL A 74 -1.894 -12.878 -0.391 1.00 0.62 C ATOM 847 CG1 VAL A 74 -3.384 -13.075 -0.142 1.00 1.50 C ATOM 848 CG2 VAL A 74 -1.624 -11.501 -0.982 1.00 1.31 C ATOM 0 H VAL A 74 -2.190 -14.604 1.846 1.00 0.48 H new ATOM 0 HA VAL A 74 -0.019 -12.987 0.683 1.00 0.46 H new ATOM 0 HB VAL A 74 -1.569 -13.625 -1.115 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -3.932 -12.915 -1.070 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -3.562 -14.089 0.215 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -3.725 -12.361 0.608 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -2.209 -11.375 -1.893 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -1.906 -10.734 -0.261 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -0.563 -11.407 -1.215 1.00 1.31 H new ATOM 858 N LYS A 75 -0.712 -10.957 1.972 1.00 0.44 N ATOM 859 CA LYS A 75 -0.998 -9.838 2.849 1.00 0.52 C ATOM 860 C LYS A 75 -0.498 -8.547 2.202 1.00 0.42 C ATOM 861 O LYS A 75 0.658 -8.457 1.779 1.00 0.45 O ATOM 862 CB LYS A 75 -0.364 -10.067 4.227 1.00 0.76 C ATOM 863 CG LYS A 75 1.143 -10.280 4.198 1.00 1.20 C ATOM 864 CD LYS A 75 1.663 -10.829 5.520 1.00 1.52 C ATOM 865 CE LYS A 75 1.213 -9.989 6.707 1.00 1.90 C ATOM 866 NZ LYS A 75 1.628 -8.567 6.584 1.00 2.58 N ATOM 0 H LYS A 75 0.113 -10.827 1.387 1.00 0.44 H new ATOM 0 HA LYS A 75 -2.074 -9.751 2.998 1.00 0.52 H new ATOM 0 HB2 LYS A 75 -0.585 -9.209 4.862 1.00 0.76 H new ATOM 0 HB3 LYS A 75 -0.833 -10.936 4.689 1.00 0.76 H new ATOM 0 HG2 LYS A 75 1.397 -10.970 3.393 1.00 1.20 H new ATOM 0 HG3 LYS A 75 1.639 -9.335 3.977 1.00 1.20 H new ATOM 0 HD2 LYS A 75 1.314 -11.854 5.649 1.00 1.52 H new ATOM 0 HD3 LYS A 75 2.752 -10.864 5.494 1.00 1.52 H new ATOM 0 HE2 LYS A 75 0.128 -10.042 6.795 1.00 1.90 H new ATOM 0 HE3 LYS A 75 1.628 -10.408 7.624 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 1.389 -8.059 7.459 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 2.654 -8.518 6.424 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 1.131 -8.129 5.782 1.00 2.58 H new ATOM 880 N VAL A 76 -1.377 -7.561 2.102 1.00 0.42 N ATOM 881 CA VAL A 76 -1.083 -6.358 1.333 1.00 0.39 C ATOM 882 C VAL A 76 -0.919 -5.138 2.236 1.00 0.38 C ATOM 883 O VAL A 76 -1.650 -4.968 3.214 1.00 0.50 O ATOM 884 CB VAL A 76 -2.195 -6.072 0.297 1.00 0.53 C ATOM 885 CG1 VAL A 76 -1.769 -4.976 -0.672 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.578 -7.339 -0.456 1.00 1.16 C ATOM 0 H VAL A 76 -2.297 -7.569 2.542 1.00 0.42 H new ATOM 0 HA VAL A 76 -0.142 -6.542 0.814 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.074 -5.722 0.839 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -2.569 -4.794 -1.390 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -1.564 -4.060 -0.118 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -0.869 -5.289 -1.202 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.362 -7.110 -1.178 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.705 -7.729 -0.979 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -2.942 -8.086 0.250 1.00 1.16 H new ATOM 896 N LEU A 77 0.058 -4.304 1.905 1.00 0.35 N ATOM 897 CA LEU A 77 0.271 -3.040 2.595 1.00 0.41 C ATOM 898 C LEU A 77 0.033 -1.881 1.633 1.00 0.39 C ATOM 899 O LEU A 77 0.647 -1.819 0.569 1.00 0.43 O ATOM 900 CB LEU A 77 1.697 -2.969 3.155 1.00 0.54 C ATOM 901 CG LEU A 77 2.110 -1.612 3.738 1.00 0.62 C ATOM 902 CD1 LEU A 77 1.253 -1.254 4.941 1.00 0.90 C ATOM 903 CD2 LEU A 77 3.582 -1.619 4.114 1.00 1.35 C ATOM 0 H LEU A 77 0.723 -4.484 1.153 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.433 -2.971 3.425 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.802 -3.726 3.932 1.00 0.54 H new ATOM 0 HB3 LEU A 77 2.395 -3.231 2.359 1.00 0.54 H new ATOM 0 HG LEU A 77 1.952 -0.852 2.972 1.00 0.62 H new ATOM 0 HD11 LEU A 77 1.566 -0.287 5.336 1.00 0.90 H new ATOM 0 HD12 LEU A 77 0.207 -1.201 4.640 1.00 0.90 H new ATOM 0 HD13 LEU A 77 1.371 -2.016 5.711 1.00 0.90 H new ATOM 0 HD21 LEU A 77 3.857 -0.648 4.526 1.00 1.35 H new ATOM 0 HD22 LEU A 77 3.764 -2.394 4.859 1.00 1.35 H new ATOM 0 HD23 LEU A 77 4.183 -1.820 3.227 1.00 1.35 H new ATOM 915 N VAL A 78 -0.863 -0.977 1.999 1.00 0.37 N ATOM 916 CA VAL A 78 -1.178 0.165 1.152 1.00 0.36 C ATOM 917 C VAL A 78 -0.662 1.453 1.775 1.00 0.36 C ATOM 918 O VAL A 78 -1.053 1.822 2.886 1.00 0.38 O ATOM 919 CB VAL A 78 -2.697 0.296 0.904 1.00 0.40 C ATOM 920 CG1 VAL A 78 -2.992 1.479 -0.007 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.257 -0.984 0.309 1.00 1.01 C ATOM 0 H VAL A 78 -1.384 -1.011 2.875 1.00 0.37 H new ATOM 0 HA VAL A 78 -0.685 -0.005 0.195 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.184 0.470 1.864 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.067 1.554 -0.169 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -2.631 2.396 0.459 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -2.490 1.336 -0.964 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.328 -0.870 0.142 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -2.762 -1.191 -0.640 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.083 -1.811 0.997 1.00 1.01 H new ATOM 931 N LEU A 79 0.222 2.125 1.057 1.00 0.38 N ATOM 932 CA LEU A 79 0.785 3.384 1.511 1.00 0.40 C ATOM 933 C LEU A 79 0.015 4.549 0.904 1.00 0.37 C ATOM 934 O LEU A 79 0.233 4.911 -0.254 1.00 0.41 O ATOM 935 CB LEU A 79 2.267 3.500 1.118 1.00 0.46 C ATOM 936 CG LEU A 79 3.246 2.524 1.785 1.00 0.58 C ATOM 937 CD1 LEU A 79 3.099 2.549 3.299 1.00 1.23 C ATOM 938 CD2 LEU A 79 3.071 1.111 1.252 1.00 1.37 C ATOM 0 H LEU A 79 0.568 1.815 0.149 1.00 0.38 H new ATOM 0 HA LEU A 79 0.706 3.414 2.598 1.00 0.40 H new ATOM 0 HB2 LEU A 79 2.342 3.369 0.038 1.00 0.46 H new ATOM 0 HB3 LEU A 79 2.597 4.515 1.340 1.00 0.46 H new ATOM 0 HG LEU A 79 4.255 2.853 1.536 1.00 0.58 H new ATOM 0 HD11 LEU A 79 3.805 1.848 3.745 1.00 1.23 H new ATOM 0 HD12 LEU A 79 3.304 3.554 3.668 1.00 1.23 H new ATOM 0 HD13 LEU A 79 2.083 2.263 3.571 1.00 1.23 H new ATOM 0 HD21 LEU A 79 3.780 0.446 1.745 1.00 1.37 H new ATOM 0 HD22 LEU A 79 2.055 0.771 1.451 1.00 1.37 H new ATOM 0 HD23 LEU A 79 3.253 1.102 0.177 1.00 1.37 H new ATOM 950 N ILE A 80 -0.891 5.129 1.675 1.00 0.41 N ATOM 951 CA ILE A 80 -1.638 6.289 1.216 1.00 0.43 C ATOM 952 C ILE A 80 -0.896 7.560 1.607 1.00 0.41 C ATOM 953 O ILE A 80 -0.356 7.660 2.707 1.00 0.42 O ATOM 954 CB ILE A 80 -3.081 6.323 1.776 1.00 0.54 C ATOM 955 CG1 ILE A 80 -3.079 6.338 3.309 1.00 1.23 C ATOM 956 CG2 ILE A 80 -3.877 5.134 1.252 1.00 1.39 C ATOM 957 CD1 ILE A 80 -4.459 6.434 3.923 1.00 1.40 C ATOM 0 H ILE A 80 -1.126 4.817 2.617 1.00 0.41 H new ATOM 0 HA ILE A 80 -1.718 6.221 0.131 1.00 0.43 H new ATOM 0 HB ILE A 80 -3.558 7.242 1.435 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -2.593 5.432 3.671 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -2.479 7.180 3.654 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -4.890 5.169 1.653 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -3.916 5.174 0.163 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -3.395 4.208 1.564 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -4.374 6.439 5.010 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -4.941 7.354 3.592 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -5.057 5.578 3.610 1.00 1.40 H new ATOM 969 N THR A 81 -0.845 8.519 0.703 1.00 0.60 N ATOM 970 CA THR A 81 -0.074 9.723 0.939 1.00 0.69 C ATOM 971 C THR A 81 -0.936 10.969 0.760 1.00 0.79 C ATOM 972 O THR A 81 -1.944 10.945 0.044 1.00 1.20 O ATOM 973 CB THR A 81 1.153 9.782 0.003 1.00 1.13 C ATOM 974 OG1 THR A 81 2.014 10.865 0.374 1.00 2.07 O ATOM 975 CG2 THR A 81 0.728 9.938 -1.449 1.00 1.92 C ATOM 0 H THR A 81 -1.325 8.488 -0.196 1.00 0.60 H new ATOM 0 HA THR A 81 0.278 9.695 1.970 1.00 0.69 H new ATOM 0 HB THR A 81 1.695 8.842 0.106 1.00 1.13 H new ATOM 0 HG1 THR A 81 2.330 10.732 1.292 1.00 2.07 H new ATOM 0 HG21 THR A 81 1.612 9.977 -2.085 1.00 1.92 H new ATOM 0 HG22 THR A 81 0.109 9.090 -1.740 1.00 1.92 H new ATOM 0 HG23 THR A 81 0.158 10.860 -1.564 1.00 1.92 H new ATOM 983 N GLY A 82 -0.542 12.046 1.427 1.00 0.73 N ATOM 984 CA GLY A 82 -1.278 13.289 1.339 1.00 1.09 C ATOM 985 C GLY A 82 -2.440 13.334 2.306 1.00 0.92 C ATOM 986 O GLY A 82 -2.685 12.375 3.044 1.00 1.03 O ATOM 0 H GLY A 82 0.280 12.079 2.031 1.00 0.73 H new ATOM 0 HA2 GLY A 82 -0.606 14.123 1.542 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -1.648 13.419 0.322 1.00 1.09 H new ATOM 990 N SER A 83 -3.146 14.449 2.321 1.00 1.03 N ATOM 991 CA SER A 83 -4.320 14.589 3.159 1.00 1.19 C ATOM 992 C SER A 83 -5.554 14.137 2.393 1.00 1.10 C ATOM 993 O SER A 83 -6.092 14.878 1.568 1.00 1.22 O ATOM 994 CB SER A 83 -4.470 16.038 3.619 1.00 1.61 C ATOM 995 OG SER A 83 -3.289 16.483 4.268 1.00 2.22 O ATOM 0 H SER A 83 -2.925 15.272 1.761 1.00 1.03 H new ATOM 0 HA SER A 83 -4.208 13.961 4.043 1.00 1.19 H new ATOM 0 HB2 SER A 83 -4.683 16.677 2.762 1.00 1.61 H new ATOM 0 HB3 SER A 83 -5.318 16.123 4.298 1.00 1.61 H new ATOM 0 HG SER A 83 -3.404 17.413 4.554 1.00 2.22 H new ATOM 1001 N ALA A 84 -5.980 12.908 2.658 1.00 1.02 N ATOM 1002 CA ALA A 84 -7.134 12.335 1.990 1.00 0.95 C ATOM 1003 C ALA A 84 -8.394 13.098 2.359 1.00 0.97 C ATOM 1004 O ALA A 84 -8.779 13.156 3.528 1.00 1.13 O ATOM 1005 CB ALA A 84 -7.277 10.862 2.347 1.00 0.97 C ATOM 0 H ALA A 84 -5.537 12.288 3.336 1.00 1.02 H new ATOM 0 HA ALA A 84 -6.986 12.416 0.913 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -8.147 10.447 1.838 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -6.383 10.323 2.034 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -7.404 10.759 3.425 1.00 0.97 H new ATOM 1011 N ASP A 85 -9.013 13.699 1.357 1.00 0.89 N ATOM 1012 CA ASP A 85 -10.229 14.468 1.557 1.00 0.93 C ATOM 1013 C ASP A 85 -11.365 13.550 1.992 1.00 0.81 C ATOM 1014 O ASP A 85 -11.369 12.372 1.637 1.00 0.71 O ATOM 1015 CB ASP A 85 -10.605 15.210 0.271 1.00 1.02 C ATOM 1016 CG ASP A 85 -9.535 16.191 -0.168 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -8.859 15.926 -1.184 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -9.358 17.230 0.503 1.00 1.92 O ATOM 0 H ASP A 85 -8.690 13.668 0.390 1.00 0.89 H new ATOM 0 HA ASP A 85 -10.054 15.203 2.343 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -10.778 14.486 -0.525 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -11.542 15.745 0.425 1.00 1.02 H new ATOM 1023 N PRO A 86 -12.330 14.078 2.772 1.00 0.92 N ATOM 1024 CA PRO A 86 -13.421 13.291 3.369 1.00 0.95 C ATOM 1025 C PRO A 86 -14.026 12.252 2.426 1.00 0.85 C ATOM 1026 O PRO A 86 -14.233 11.099 2.811 1.00 0.88 O ATOM 1027 CB PRO A 86 -14.453 14.358 3.715 1.00 1.11 C ATOM 1028 CG PRO A 86 -13.646 15.569 4.024 1.00 1.30 C ATOM 1029 CD PRO A 86 -12.429 15.504 3.140 1.00 1.11 C ATOM 0 HA PRO A 86 -13.068 12.701 4.215 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -15.134 14.536 2.883 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -15.063 14.059 4.568 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -14.218 16.477 3.832 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -13.362 15.588 5.076 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -12.541 16.136 2.259 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -11.536 15.844 3.665 1.00 1.11 H new ATOM 1037 N ASP A 87 -14.288 12.660 1.190 1.00 0.82 N ATOM 1038 CA ASP A 87 -14.886 11.777 0.193 1.00 0.86 C ATOM 1039 C ASP A 87 -13.997 10.566 -0.081 1.00 0.74 C ATOM 1040 O ASP A 87 -14.453 9.424 -0.007 1.00 0.79 O ATOM 1041 CB ASP A 87 -15.175 12.543 -1.109 1.00 1.02 C ATOM 1042 CG ASP A 87 -14.009 13.396 -1.579 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -13.708 14.409 -0.911 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -13.402 13.076 -2.625 1.00 2.21 O ATOM 0 H ASP A 87 -14.095 13.603 0.852 1.00 0.82 H new ATOM 0 HA ASP A 87 -15.831 11.413 0.596 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -15.432 11.830 -1.892 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -16.046 13.181 -0.961 1.00 1.02 H new ATOM 1049 N GLU A 88 -12.726 10.813 -0.357 1.00 0.68 N ATOM 1050 CA GLU A 88 -11.791 9.742 -0.673 1.00 0.67 C ATOM 1051 C GLU A 88 -11.406 8.960 0.577 1.00 0.55 C ATOM 1052 O GLU A 88 -11.195 7.749 0.516 1.00 0.54 O ATOM 1053 CB GLU A 88 -10.540 10.307 -1.341 1.00 0.80 C ATOM 1054 CG GLU A 88 -10.831 11.014 -2.651 1.00 1.02 C ATOM 1055 CD GLU A 88 -9.580 11.511 -3.338 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -9.144 12.641 -3.047 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -9.035 10.774 -4.185 1.00 2.32 O ATOM 0 H GLU A 88 -12.317 11.747 -0.369 1.00 0.68 H new ATOM 0 HA GLU A 88 -12.286 9.060 -1.364 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -10.055 11.005 -0.659 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -9.835 9.496 -1.522 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -11.359 10.332 -3.317 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -11.497 11.857 -2.464 1.00 1.02 H new ATOM 1064 N LYS A 89 -11.318 9.654 1.706 1.00 0.57 N ATOM 1065 CA LYS A 89 -10.968 9.018 2.970 1.00 0.62 C ATOM 1066 C LYS A 89 -12.021 7.993 3.368 1.00 0.59 C ATOM 1067 O LYS A 89 -11.696 6.856 3.704 1.00 0.64 O ATOM 1068 CB LYS A 89 -10.814 10.064 4.076 1.00 0.77 C ATOM 1069 CG LYS A 89 -10.457 9.465 5.427 1.00 1.34 C ATOM 1070 CD LYS A 89 -10.389 10.529 6.507 1.00 1.77 C ATOM 1071 CE LYS A 89 -10.116 9.920 7.874 1.00 2.39 C ATOM 1072 NZ LYS A 89 -8.792 9.246 7.932 1.00 2.81 N ATOM 0 H LYS A 89 -11.484 10.658 1.772 1.00 0.57 H new ATOM 0 HA LYS A 89 -10.015 8.506 2.836 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -10.041 10.777 3.787 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -11.745 10.623 4.169 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -11.198 8.714 5.701 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -9.497 8.954 5.357 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -9.605 11.246 6.264 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -11.328 11.081 6.535 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -10.158 10.701 8.633 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -10.899 9.201 8.113 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -8.588 8.965 8.912 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -8.805 8.402 7.325 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -8.055 9.900 7.599 1.00 2.81 H new ATOM 1086 N THR A 90 -13.285 8.397 3.313 1.00 0.62 N ATOM 1087 CA THR A 90 -14.383 7.508 3.663 1.00 0.69 C ATOM 1088 C THR A 90 -14.465 6.343 2.678 1.00 0.62 C ATOM 1089 O THR A 90 -14.747 5.208 3.065 1.00 0.69 O ATOM 1090 CB THR A 90 -15.726 8.264 3.679 1.00 0.86 C ATOM 1091 OG1 THR A 90 -15.592 9.478 4.432 1.00 1.33 O ATOM 1092 CG2 THR A 90 -16.824 7.407 4.293 1.00 1.17 C ATOM 0 H THR A 90 -13.573 9.334 3.030 1.00 0.62 H new ATOM 0 HA THR A 90 -14.188 7.121 4.663 1.00 0.69 H new ATOM 0 HB THR A 90 -15.999 8.497 2.650 1.00 0.86 H new ATOM 0 HG1 THR A 90 -15.317 10.205 3.835 1.00 1.33 H new ATOM 0 HG21 THR A 90 -17.762 7.962 4.293 1.00 1.17 H new ATOM 0 HG22 THR A 90 -16.943 6.494 3.709 1.00 1.17 H new ATOM 0 HG23 THR A 90 -16.555 7.150 5.317 1.00 1.17 H new ATOM 1100 N LYS A 91 -14.194 6.627 1.409 1.00 0.57 N ATOM 1101 CA LYS A 91 -14.218 5.602 0.375 1.00 0.64 C ATOM 1102 C LYS A 91 -13.097 4.593 0.609 1.00 0.63 C ATOM 1103 O LYS A 91 -13.277 3.390 0.414 1.00 0.73 O ATOM 1104 CB LYS A 91 -14.079 6.238 -1.011 1.00 0.73 C ATOM 1105 CG LYS A 91 -14.351 5.280 -2.164 1.00 1.06 C ATOM 1106 CD LYS A 91 -15.794 4.799 -2.162 1.00 1.51 C ATOM 1107 CE LYS A 91 -16.075 3.850 -3.318 1.00 1.83 C ATOM 1108 NZ LYS A 91 -15.948 4.519 -4.638 1.00 2.41 N ATOM 0 H LYS A 91 -13.955 7.560 1.072 1.00 0.57 H new ATOM 0 HA LYS A 91 -15.174 5.081 0.422 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -14.766 7.081 -1.083 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -13.071 6.639 -1.116 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -14.133 5.776 -3.110 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -13.681 4.423 -2.092 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -16.008 4.296 -1.219 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -16.463 5.657 -2.225 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -15.384 3.009 -3.271 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -17.081 3.442 -3.215 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -16.294 3.883 -5.384 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -16.511 5.393 -4.640 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -14.950 4.750 -4.815 1.00 2.41 H new ATOM 1122 N ALA A 92 -11.943 5.090 1.043 1.00 0.58 N ATOM 1123 CA ALA A 92 -10.805 4.237 1.339 1.00 0.67 C ATOM 1124 C ALA A 92 -11.074 3.425 2.592 1.00 0.68 C ATOM 1125 O ALA A 92 -10.753 2.243 2.657 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.539 5.064 1.511 1.00 0.74 C ATOM 0 H ALA A 92 -11.774 6.084 1.197 1.00 0.58 H new ATOM 0 HA ALA A 92 -10.658 3.557 0.500 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -8.700 4.404 1.732 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -9.336 5.614 0.592 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -9.673 5.768 2.333 1.00 0.74 H new ATOM 1132 N LYS A 93 -11.682 4.070 3.581 1.00 0.64 N ATOM 1133 CA LYS A 93 -11.995 3.419 4.842 1.00 0.71 C ATOM 1134 C LYS A 93 -13.023 2.309 4.644 1.00 0.70 C ATOM 1135 O LYS A 93 -12.870 1.213 5.183 1.00 0.79 O ATOM 1136 CB LYS A 93 -12.508 4.439 5.863 1.00 0.80 C ATOM 1137 CG LYS A 93 -12.886 3.826 7.204 1.00 1.09 C ATOM 1138 CD LYS A 93 -11.706 3.120 7.855 1.00 1.56 C ATOM 1139 CE LYS A 93 -12.105 2.454 9.161 1.00 2.00 C ATOM 1140 NZ LYS A 93 -12.612 3.435 10.156 1.00 2.44 N ATOM 0 H LYS A 93 -11.968 5.048 3.531 1.00 0.64 H new ATOM 0 HA LYS A 93 -11.077 2.972 5.225 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -11.741 5.197 6.023 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -13.378 4.949 5.449 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -13.255 4.607 7.869 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -13.701 3.116 7.062 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -11.307 2.371 7.171 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -10.908 3.839 8.041 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -12.873 1.706 8.966 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -11.246 1.928 9.577 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -12.696 2.975 11.085 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -11.950 4.234 10.224 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -13.545 3.783 9.856 1.00 2.44 H new ATOM 1154 N LYS A 94 -14.063 2.592 3.870 1.00 0.66 N ATOM 1155 CA LYS A 94 -15.096 1.602 3.599 1.00 0.71 C ATOM 1156 C LYS A 94 -14.509 0.430 2.819 1.00 0.67 C ATOM 1157 O LYS A 94 -14.791 -0.730 3.116 1.00 0.74 O ATOM 1158 CB LYS A 94 -16.257 2.230 2.825 1.00 0.78 C ATOM 1159 CG LYS A 94 -17.427 1.282 2.608 1.00 1.36 C ATOM 1160 CD LYS A 94 -18.616 1.988 1.977 1.00 1.79 C ATOM 1161 CE LYS A 94 -18.309 2.474 0.571 1.00 2.57 C ATOM 1162 NZ LYS A 94 -19.444 3.233 -0.008 1.00 2.85 N ATOM 0 H LYS A 94 -14.213 3.495 3.421 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.480 1.234 4.550 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -16.608 3.110 3.364 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -15.894 2.573 1.856 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -17.113 0.457 1.968 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -17.726 0.849 3.563 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -19.467 1.308 1.948 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -18.906 2.835 2.598 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -17.421 3.106 0.590 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -18.079 1.621 -0.067 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -19.197 3.548 -0.968 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -20.285 2.622 -0.050 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -19.647 4.061 0.587 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.672 0.743 1.838 1.00 0.60 N ATOM 1177 CA ALA A 95 -13.008 -0.282 1.046 1.00 0.60 C ATOM 1178 C ALA A 95 -12.072 -1.108 1.920 1.00 0.57 C ATOM 1179 O ALA A 95 -12.011 -2.326 1.793 1.00 0.57 O ATOM 1180 CB ALA A 95 -12.245 0.349 -0.108 1.00 0.63 C ATOM 0 H ALA A 95 -13.437 1.699 1.572 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.767 -0.946 0.633 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -11.755 -0.431 -0.690 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -12.938 0.896 -0.747 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.494 1.035 0.284 1.00 0.63 H new ATOM 1186 N ALA A 96 -11.358 -0.435 2.819 1.00 0.57 N ATOM 1187 CA ALA A 96 -10.440 -1.103 3.736 1.00 0.58 C ATOM 1188 C ALA A 96 -11.195 -2.004 4.702 1.00 0.56 C ATOM 1189 O ALA A 96 -10.708 -3.067 5.078 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.613 -0.082 4.503 1.00 0.64 C ATOM 0 H ALA A 96 -11.399 0.578 2.932 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.767 -1.724 3.145 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -8.935 -0.599 5.182 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -9.035 0.520 3.801 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -10.276 0.566 5.077 1.00 0.64 H new ATOM 1196 N GLU A 97 -12.385 -1.571 5.098 1.00 0.57 N ATOM 1197 CA GLU A 97 -13.231 -2.362 5.980 1.00 0.63 C ATOM 1198 C GLU A 97 -13.621 -3.668 5.296 1.00 0.55 C ATOM 1199 O GLU A 97 -13.611 -4.735 5.913 1.00 0.58 O ATOM 1200 CB GLU A 97 -14.486 -1.572 6.364 1.00 0.80 C ATOM 1201 CG GLU A 97 -15.345 -2.264 7.410 1.00 1.46 C ATOM 1202 CD GLU A 97 -16.609 -1.497 7.725 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -17.692 -1.913 7.265 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -16.528 -0.472 8.434 1.00 2.39 O ATOM 0 H GLU A 97 -12.786 -0.675 4.821 1.00 0.57 H new ATOM 0 HA GLU A 97 -12.673 -2.591 6.888 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -14.188 -0.593 6.740 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -15.085 -1.401 5.470 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -15.608 -3.261 7.057 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -14.765 -2.392 8.324 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.945 -3.573 4.012 1.00 0.55 N ATOM 1212 CA GLU A 98 -14.310 -4.738 3.220 1.00 0.57 C ATOM 1213 C GLU A 98 -13.083 -5.588 2.901 1.00 0.52 C ATOM 1214 O GLU A 98 -13.088 -6.804 3.096 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.980 -4.298 1.915 1.00 0.66 C ATOM 1216 CG GLU A 98 -16.248 -3.486 2.117 1.00 1.40 C ATOM 1217 CD GLU A 98 -17.330 -4.267 2.826 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -18.031 -5.061 2.160 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -17.488 -4.093 4.049 1.00 2.66 O ATOM 0 H GLU A 98 -13.962 -2.694 3.495 1.00 0.55 H new ATOM 0 HA GLU A 98 -15.008 -5.338 3.804 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -14.271 -3.707 1.335 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -15.217 -5.182 1.324 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -16.014 -2.591 2.693 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -16.620 -3.153 1.148 1.00 1.40 H new ATOM 1226 N ALA A 99 -12.032 -4.934 2.428 1.00 0.46 N ATOM 1227 CA ALA A 99 -10.823 -5.615 1.974 1.00 0.49 C ATOM 1228 C ALA A 99 -10.015 -6.192 3.136 1.00 0.46 C ATOM 1229 O ALA A 99 -9.106 -6.995 2.925 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.965 -4.668 1.152 1.00 0.58 C ATOM 0 H ALA A 99 -11.991 -3.918 2.347 1.00 0.46 H new ATOM 0 HA ALA A 99 -11.135 -6.453 1.350 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -9.066 -5.187 0.819 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -10.529 -4.326 0.284 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -9.683 -3.810 1.762 1.00 0.58 H new ATOM 1236 N ARG A 100 -10.341 -5.776 4.357 1.00 0.47 N ATOM 1237 CA ARG A 100 -9.653 -6.248 5.561 1.00 0.53 C ATOM 1238 C ARG A 100 -9.639 -7.776 5.631 1.00 0.51 C ATOM 1239 O ARG A 100 -8.710 -8.376 6.173 1.00 0.56 O ATOM 1240 CB ARG A 100 -10.331 -5.674 6.808 1.00 0.64 C ATOM 1241 CG ARG A 100 -9.669 -6.067 8.120 1.00 1.22 C ATOM 1242 CD ARG A 100 -10.444 -5.517 9.305 1.00 1.52 C ATOM 1243 NE ARG A 100 -9.857 -5.895 10.589 1.00 2.17 N ATOM 1244 CZ ARG A 100 -10.385 -5.569 11.769 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -11.500 -4.850 11.825 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -9.795 -5.956 12.892 1.00 3.77 N ATOM 0 H ARG A 100 -11.086 -5.105 4.542 1.00 0.47 H new ATOM 0 HA ARG A 100 -8.620 -5.903 5.517 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -10.343 -4.587 6.732 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -11.370 -6.004 6.826 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -9.610 -7.153 8.191 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -8.646 -5.690 8.143 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -10.484 -4.430 9.235 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -11.472 -5.877 9.260 1.00 1.52 H new ATOM 0 HE ARG A 100 -8.994 -6.439 10.582 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -11.954 -4.546 10.964 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -11.902 -4.602 12.729 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -8.936 -6.504 12.854 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -10.201 -5.705 13.794 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.663 -8.396 5.053 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.786 -9.851 5.038 1.00 0.58 C ATOM 1262 C LYS A 101 -9.644 -10.501 4.248 1.00 0.63 C ATOM 1263 O LYS A 101 -9.396 -11.701 4.372 1.00 0.81 O ATOM 1264 CB LYS A 101 -12.137 -10.253 4.430 1.00 0.74 C ATOM 1265 CG LYS A 101 -12.473 -11.733 4.574 1.00 1.37 C ATOM 1266 CD LYS A 101 -13.266 -12.029 5.843 1.00 1.81 C ATOM 1267 CE LYS A 101 -12.505 -11.657 7.107 1.00 2.63 C ATOM 1268 NZ LYS A 101 -13.269 -11.996 8.337 1.00 3.24 N ATOM 0 H LYS A 101 -11.427 -7.909 4.584 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.728 -10.206 6.067 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -12.924 -9.666 4.903 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -12.138 -9.993 3.371 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -13.047 -12.059 3.706 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -11.550 -12.313 4.582 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -14.208 -11.481 5.815 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -13.516 -13.090 5.872 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -11.547 -12.177 7.120 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -12.287 -10.589 7.098 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -12.715 -11.726 9.175 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -14.172 -11.480 8.338 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -13.455 -13.019 8.359 1.00 3.24 H new ATOM 1282 N TRP A 102 -8.949 -9.708 3.444 1.00 0.57 N ATOM 1283 CA TRP A 102 -7.852 -10.213 2.627 1.00 0.71 C ATOM 1284 C TRP A 102 -6.495 -9.840 3.220 1.00 0.64 C ATOM 1285 O TRP A 102 -5.459 -10.010 2.575 1.00 0.73 O ATOM 1286 CB TRP A 102 -7.957 -9.676 1.199 1.00 0.84 C ATOM 1287 CG TRP A 102 -9.071 -10.280 0.396 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -8.970 -11.306 -0.499 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -10.449 -9.891 0.403 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -10.199 -11.573 -1.050 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -11.121 -10.721 -0.511 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -11.180 -8.925 1.093 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -12.487 -10.613 -0.752 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -12.536 -8.818 0.853 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -13.176 -9.658 -0.063 1.00 2.21 C ATOM 0 H TRP A 102 -9.126 -8.709 3.339 1.00 0.57 H new ATOM 0 HA TRP A 102 -7.930 -11.300 2.610 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -8.097 -8.596 1.238 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -7.013 -9.857 0.684 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -8.057 -11.831 -0.739 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -10.392 -12.291 -1.748 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -10.694 -8.272 1.803 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -12.984 -11.261 -1.459 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -13.112 -8.073 1.382 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -14.238 -9.549 -0.229 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.521 -9.341 4.457 1.00 0.56 N ATOM 1307 CA ASN A 103 -5.313 -8.932 5.179 1.00 0.64 C ATOM 1308 C ASN A 103 -4.624 -7.771 4.465 1.00 0.56 C ATOM 1309 O ASN A 103 -3.512 -7.901 3.950 1.00 0.70 O ATOM 1310 CB ASN A 103 -4.339 -10.109 5.350 1.00 0.89 C ATOM 1311 CG ASN A 103 -3.229 -9.833 6.357 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -2.818 -8.691 6.572 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -2.726 -10.890 6.977 1.00 2.00 N ATOM 0 H ASN A 103 -7.382 -9.208 4.988 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.617 -8.599 6.171 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -4.897 -10.990 5.668 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -3.893 -10.345 4.384 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -1.975 -10.773 7.657 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -3.090 -11.821 6.775 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.297 -6.635 4.428 1.00 0.46 N ATOM 1321 CA VAL A 104 -4.713 -5.432 3.864 1.00 0.45 C ATOM 1322 C VAL A 104 -4.624 -4.347 4.933 1.00 0.48 C ATOM 1323 O VAL A 104 -5.559 -4.147 5.714 1.00 0.63 O ATOM 1324 CB VAL A 104 -5.508 -4.920 2.639 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -6.943 -4.596 3.012 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -4.829 -3.708 2.019 1.00 0.99 C ATOM 0 H VAL A 104 -6.247 -6.520 4.781 1.00 0.46 H new ATOM 0 HA VAL A 104 -3.710 -5.681 3.516 1.00 0.45 H new ATOM 0 HB VAL A 104 -5.525 -5.719 1.898 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -7.476 -4.239 2.131 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -7.431 -5.493 3.393 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -6.954 -3.823 3.781 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -5.407 -3.367 1.160 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -4.769 -2.908 2.757 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -3.824 -3.980 1.696 1.00 0.99 H new ATOM 1336 N ARG A 105 -3.489 -3.677 4.990 1.00 0.45 N ATOM 1337 CA ARG A 105 -3.271 -2.641 5.983 1.00 0.48 C ATOM 1338 C ARG A 105 -2.980 -1.311 5.304 1.00 0.44 C ATOM 1339 O ARG A 105 -2.030 -1.194 4.530 1.00 0.51 O ATOM 1340 CB ARG A 105 -2.115 -3.032 6.908 1.00 0.59 C ATOM 1341 CG ARG A 105 -1.876 -2.050 8.049 1.00 1.28 C ATOM 1342 CD ARG A 105 -3.117 -1.880 8.911 1.00 1.72 C ATOM 1343 NE ARG A 105 -3.633 -3.161 9.393 1.00 2.38 N ATOM 1344 CZ ARG A 105 -4.827 -3.314 9.962 1.00 3.11 C ATOM 1345 NH1 ARG A 105 -5.623 -2.267 10.144 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -5.226 -4.518 10.354 1.00 4.06 N ATOM 0 H ARG A 105 -2.702 -3.831 4.360 1.00 0.45 H new ATOM 0 HA ARG A 105 -4.176 -2.533 6.581 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -2.316 -4.018 7.327 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -1.203 -3.116 6.317 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -1.049 -2.402 8.666 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -1.580 -1.083 7.642 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -2.882 -1.241 9.762 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -3.891 -1.372 8.335 1.00 1.72 H new ATOM 0 HE ARG A 105 -3.043 -3.986 9.287 1.00 2.38 H new ATOM 0 HH11 ARG A 105 -5.321 -1.339 9.847 1.00 3.33 H new ATOM 0 HH12 ARG A 105 -6.537 -2.391 10.580 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -4.618 -5.326 10.219 1.00 4.06 H new ATOM 0 HH22 ARG A 105 -6.141 -4.635 10.790 1.00 4.06 H new ATOM 1360 N VAL A 106 -3.812 -0.321 5.580 1.00 0.47 N ATOM 1361 CA VAL A 106 -3.614 1.010 5.031 1.00 0.48 C ATOM 1362 C VAL A 106 -2.868 1.886 6.033 1.00 0.50 C ATOM 1363 O VAL A 106 -3.217 1.933 7.215 1.00 0.64 O ATOM 1364 CB VAL A 106 -4.962 1.670 4.635 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -5.695 0.803 3.628 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -5.844 1.921 5.852 1.00 1.58 C ATOM 0 H VAL A 106 -4.631 -0.414 6.181 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.015 0.913 4.126 1.00 0.48 H new ATOM 0 HB VAL A 106 -4.737 2.636 4.182 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -6.639 1.277 3.359 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -5.081 0.684 2.735 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -5.893 -0.175 4.066 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -6.779 2.384 5.535 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -6.058 0.974 6.348 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -5.327 2.585 6.545 1.00 1.58 H new ATOM 1376 N ARG A 107 -1.811 2.538 5.575 1.00 0.46 N ATOM 1377 CA ARG A 107 -1.046 3.439 6.428 1.00 0.58 C ATOM 1378 C ARG A 107 -0.699 4.709 5.667 1.00 0.49 C ATOM 1379 O ARG A 107 -0.575 4.691 4.442 1.00 0.48 O ATOM 1380 CB ARG A 107 0.228 2.765 6.948 1.00 0.74 C ATOM 1381 CG ARG A 107 -0.040 1.515 7.774 1.00 1.02 C ATOM 1382 CD ARG A 107 1.010 1.316 8.854 1.00 0.90 C ATOM 1383 NE ARG A 107 0.943 2.361 9.876 1.00 1.58 N ATOM 1384 CZ ARG A 107 1.226 2.168 11.164 1.00 2.15 C ATOM 1385 NH1 ARG A 107 1.580 0.966 11.602 1.00 2.26 N ATOM 1386 NH2 ARG A 107 1.144 3.182 12.018 1.00 3.00 N ATOM 0 H ARG A 107 -1.462 2.462 4.619 1.00 0.46 H new ATOM 0 HA ARG A 107 -1.663 3.696 7.289 1.00 0.58 H new ATOM 0 HB2 ARG A 107 0.862 2.502 6.101 1.00 0.74 H new ATOM 0 HB3 ARG A 107 0.786 3.479 7.554 1.00 0.74 H new ATOM 0 HG2 ARG A 107 -1.025 1.588 8.234 1.00 1.02 H new ATOM 0 HG3 ARG A 107 -0.058 0.644 7.119 1.00 1.02 H new ATOM 0 HD2 ARG A 107 0.871 0.341 9.321 1.00 0.90 H new ATOM 0 HD3 ARG A 107 2.001 1.314 8.401 1.00 0.90 H new ATOM 0 HE ARG A 107 0.662 3.297 9.584 1.00 1.58 H new ATOM 0 HH11 ARG A 107 1.637 0.182 10.951 1.00 2.26 H new ATOM 0 HH12 ARG A 107 1.795 0.826 12.589 1.00 2.26 H new ATOM 0 HH21 ARG A 107 0.865 4.106 11.688 1.00 3.00 H new ATOM 0 HH22 ARG A 107 1.360 3.037 13.004 1.00 3.00 H new ATOM 1400 N THR A 108 -0.549 5.806 6.394 1.00 0.56 N ATOM 1401 CA THR A 108 -0.320 7.101 5.778 1.00 0.51 C ATOM 1402 C THR A 108 1.166 7.450 5.746 1.00 0.52 C ATOM 1403 O THR A 108 1.868 7.339 6.756 1.00 0.66 O ATOM 1404 CB THR A 108 -1.086 8.205 6.531 1.00 0.59 C ATOM 1405 OG1 THR A 108 -2.451 7.806 6.720 1.00 0.86 O ATOM 1406 CG2 THR A 108 -1.043 9.519 5.763 1.00 0.68 C ATOM 0 H THR A 108 -0.582 5.823 7.413 1.00 0.56 H new ATOM 0 HA THR A 108 -0.686 7.039 4.753 1.00 0.51 H new ATOM 0 HB THR A 108 -0.607 8.353 7.499 1.00 0.59 H new ATOM 0 HG1 THR A 108 -2.934 8.510 7.201 1.00 0.86 H new ATOM 0 HG21 THR A 108 -1.591 10.282 6.316 1.00 0.68 H new ATOM 0 HG22 THR A 108 -0.007 9.834 5.639 1.00 0.68 H new ATOM 0 HG23 THR A 108 -1.500 9.383 4.783 1.00 0.68 H new ATOM 1414 N VAL A 109 1.638 7.861 4.578 1.00 0.47 N ATOM 1415 CA VAL A 109 3.012 8.306 4.421 1.00 0.55 C ATOM 1416 C VAL A 109 3.062 9.791 4.069 1.00 0.57 C ATOM 1417 O VAL A 109 2.673 10.205 2.973 1.00 0.62 O ATOM 1418 CB VAL A 109 3.770 7.481 3.352 1.00 0.67 C ATOM 1419 CG1 VAL A 109 4.051 6.081 3.867 1.00 1.51 C ATOM 1420 CG2 VAL A 109 2.987 7.409 2.049 1.00 1.05 C ATOM 0 H VAL A 109 1.085 7.895 3.722 1.00 0.47 H new ATOM 0 HA VAL A 109 3.510 8.149 5.378 1.00 0.55 H new ATOM 0 HB VAL A 109 4.715 7.985 3.152 1.00 0.67 H new ATOM 0 HG11 VAL A 109 4.584 5.513 3.105 1.00 1.51 H new ATOM 0 HG12 VAL A 109 4.661 6.141 4.768 1.00 1.51 H new ATOM 0 HG13 VAL A 109 3.110 5.583 4.098 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.547 6.823 1.320 1.00 1.05 H new ATOM 0 HG22 VAL A 109 2.022 6.936 2.230 1.00 1.05 H new ATOM 0 HG23 VAL A 109 2.831 8.416 1.662 1.00 1.05 H new ATOM 1430 N THR A 110 3.518 10.596 5.015 1.00 0.70 N ATOM 1431 CA THR A 110 3.654 12.026 4.797 1.00 0.84 C ATOM 1432 C THR A 110 4.985 12.340 4.123 1.00 0.84 C ATOM 1433 O THR A 110 5.062 13.174 3.223 1.00 0.97 O ATOM 1434 CB THR A 110 3.549 12.799 6.125 1.00 1.02 C ATOM 1435 OG1 THR A 110 4.404 12.199 7.111 1.00 1.55 O ATOM 1436 CG2 THR A 110 2.115 12.813 6.629 1.00 1.45 C ATOM 0 H THR A 110 3.801 10.282 5.943 1.00 0.70 H new ATOM 0 HA THR A 110 2.840 12.342 4.145 1.00 0.84 H new ATOM 0 HB THR A 110 3.865 13.827 5.949 1.00 1.02 H new ATOM 0 HG1 THR A 110 4.333 12.697 7.952 1.00 1.55 H new ATOM 0 HG21 THR A 110 2.065 13.364 7.568 1.00 1.45 H new ATOM 0 HG22 THR A 110 1.474 13.295 5.890 1.00 1.45 H new ATOM 0 HG23 THR A 110 1.776 11.790 6.791 1.00 1.45 H new ATOM 1444 N SER A 111 6.025 11.645 4.554 1.00 0.79 N ATOM 1445 CA SER A 111 7.355 11.829 4.003 1.00 0.85 C ATOM 1446 C SER A 111 7.914 10.484 3.544 1.00 0.76 C ATOM 1447 O SER A 111 7.420 9.439 3.970 1.00 0.69 O ATOM 1448 CB SER A 111 8.267 12.446 5.066 1.00 0.96 C ATOM 1449 OG SER A 111 7.622 13.524 5.726 1.00 1.52 O ATOM 0 H SER A 111 5.971 10.942 5.291 1.00 0.79 H new ATOM 0 HA SER A 111 7.305 12.499 3.145 1.00 0.85 H new ATOM 0 HB2 SER A 111 8.549 11.686 5.794 1.00 0.96 H new ATOM 0 HB3 SER A 111 9.187 12.798 4.600 1.00 0.96 H new ATOM 0 HG SER A 111 8.224 13.901 6.402 1.00 1.52 H new ATOM 1455 N PRO A 112 8.936 10.475 2.669 1.00 0.82 N ATOM 1456 CA PRO A 112 9.597 9.233 2.245 1.00 0.80 C ATOM 1457 C PRO A 112 10.138 8.444 3.438 1.00 0.70 C ATOM 1458 O PRO A 112 10.220 7.215 3.401 1.00 0.74 O ATOM 1459 CB PRO A 112 10.737 9.720 1.347 1.00 0.95 C ATOM 1460 CG PRO A 112 10.292 11.057 0.865 1.00 1.05 C ATOM 1461 CD PRO A 112 9.509 11.657 1.997 1.00 0.97 C ATOM 0 HA PRO A 112 8.914 8.552 1.738 1.00 0.80 H new ATOM 0 HB2 PRO A 112 11.674 9.790 1.899 1.00 0.95 H new ATOM 0 HB3 PRO A 112 10.907 9.036 0.516 1.00 0.95 H new ATOM 0 HG2 PRO A 112 11.145 11.683 0.604 1.00 1.05 H new ATOM 0 HG3 PRO A 112 9.678 10.966 -0.031 1.00 1.05 H new ATOM 0 HD2 PRO A 112 10.147 12.233 2.668 1.00 0.97 H new ATOM 0 HD3 PRO A 112 8.733 12.332 1.637 1.00 0.97 H new ATOM 1469 N ASP A 113 10.475 9.168 4.505 1.00 0.67 N ATOM 1470 CA ASP A 113 10.925 8.565 5.761 1.00 0.66 C ATOM 1471 C ASP A 113 9.899 7.563 6.275 1.00 0.59 C ATOM 1472 O ASP A 113 10.247 6.540 6.867 1.00 0.63 O ATOM 1473 CB ASP A 113 11.134 9.645 6.825 1.00 0.74 C ATOM 1474 CG ASP A 113 12.153 10.689 6.420 1.00 1.73 C ATOM 1475 OD1 ASP A 113 11.816 11.563 5.593 1.00 2.48 O ATOM 1476 OD2 ASP A 113 13.293 10.649 6.932 1.00 2.44 O ATOM 0 H ASP A 113 10.444 10.187 4.524 1.00 0.67 H new ATOM 0 HA ASP A 113 11.867 8.052 5.566 1.00 0.66 H new ATOM 0 HB2 ASP A 113 10.182 10.135 7.028 1.00 0.74 H new ATOM 0 HB3 ASP A 113 11.455 9.174 7.754 1.00 0.74 H new ATOM 1481 N GLU A 114 8.632 7.873 6.045 1.00 0.57 N ATOM 1482 CA GLU A 114 7.542 7.020 6.484 1.00 0.60 C ATOM 1483 C GLU A 114 7.479 5.769 5.625 1.00 0.52 C ATOM 1484 O GLU A 114 7.408 4.655 6.140 1.00 0.52 O ATOM 1485 CB GLU A 114 6.217 7.777 6.406 1.00 0.73 C ATOM 1486 CG GLU A 114 6.222 9.081 7.183 1.00 1.18 C ATOM 1487 CD GLU A 114 6.420 8.872 8.670 1.00 1.99 C ATOM 1488 OE1 GLU A 114 5.412 8.812 9.404 1.00 2.63 O ATOM 1489 OE2 GLU A 114 7.583 8.781 9.115 1.00 2.70 O ATOM 0 H GLU A 114 8.334 8.715 5.553 1.00 0.57 H new ATOM 0 HA GLU A 114 7.720 6.728 7.519 1.00 0.60 H new ATOM 0 HB2 GLU A 114 5.987 7.986 5.361 1.00 0.73 H new ATOM 0 HB3 GLU A 114 5.419 7.139 6.786 1.00 0.73 H new ATOM 0 HG2 GLU A 114 7.015 9.724 6.801 1.00 1.18 H new ATOM 0 HG3 GLU A 114 5.280 9.603 7.015 1.00 1.18 H new ATOM 1496 N ALA A 115 7.530 5.961 4.313 1.00 0.55 N ATOM 1497 CA ALA A 115 7.493 4.848 3.375 1.00 0.58 C ATOM 1498 C ALA A 115 8.628 3.875 3.658 1.00 0.51 C ATOM 1499 O ALA A 115 8.429 2.661 3.672 1.00 0.51 O ATOM 1500 CB ALA A 115 7.570 5.359 1.942 1.00 0.70 C ATOM 0 H ALA A 115 7.597 6.879 3.874 1.00 0.55 H new ATOM 0 HA ALA A 115 6.548 4.319 3.502 1.00 0.58 H new ATOM 0 HB1 ALA A 115 7.541 4.515 1.253 1.00 0.70 H new ATOM 0 HB2 ALA A 115 6.724 6.018 1.745 1.00 0.70 H new ATOM 0 HB3 ALA A 115 8.500 5.910 1.802 1.00 0.70 H new ATOM 1506 N LYS A 116 9.809 4.426 3.917 1.00 0.51 N ATOM 1507 CA LYS A 116 10.984 3.626 4.223 1.00 0.51 C ATOM 1508 C LYS A 116 10.745 2.731 5.435 1.00 0.44 C ATOM 1509 O LYS A 116 11.021 1.530 5.393 1.00 0.49 O ATOM 1510 CB LYS A 116 12.191 4.536 4.475 1.00 0.64 C ATOM 1511 CG LYS A 116 13.469 3.781 4.802 1.00 1.38 C ATOM 1512 CD LYS A 116 14.640 4.729 5.013 1.00 1.43 C ATOM 1513 CE LYS A 116 15.935 3.970 5.253 1.00 1.80 C ATOM 1514 NZ LYS A 116 17.097 4.883 5.413 1.00 2.33 N ATOM 0 H LYS A 116 9.976 5.432 3.920 1.00 0.51 H new ATOM 0 HA LYS A 116 11.187 2.986 3.364 1.00 0.51 H new ATOM 0 HB2 LYS A 116 12.360 5.153 3.592 1.00 0.64 H new ATOM 0 HB3 LYS A 116 11.959 5.213 5.297 1.00 0.64 H new ATOM 0 HG2 LYS A 116 13.319 3.182 5.700 1.00 1.38 H new ATOM 0 HG3 LYS A 116 13.701 3.089 3.992 1.00 1.38 H new ATOM 0 HD2 LYS A 116 14.751 5.372 4.140 1.00 1.43 H new ATOM 0 HD3 LYS A 116 14.435 5.379 5.864 1.00 1.43 H new ATOM 0 HE2 LYS A 116 15.833 3.354 6.146 1.00 1.80 H new ATOM 0 HE3 LYS A 116 16.118 3.294 4.418 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 17.959 4.323 5.575 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 17.211 5.454 4.551 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 16.935 5.512 6.225 1.00 2.33 H new ATOM 1528 N ARG A 117 10.213 3.307 6.509 1.00 0.42 N ATOM 1529 CA ARG A 117 10.044 2.560 7.747 1.00 0.44 C ATOM 1530 C ARG A 117 8.919 1.539 7.635 1.00 0.43 C ATOM 1531 O ARG A 117 9.051 0.429 8.136 1.00 0.50 O ATOM 1532 CB ARG A 117 9.778 3.482 8.942 1.00 0.57 C ATOM 1533 CG ARG A 117 8.406 4.132 8.931 1.00 0.90 C ATOM 1534 CD ARG A 117 8.031 4.667 10.298 1.00 1.39 C ATOM 1535 NE ARG A 117 7.851 3.601 11.286 1.00 1.99 N ATOM 1536 CZ ARG A 117 7.542 3.818 12.565 1.00 2.83 C ATOM 1537 NH1 ARG A 117 7.418 5.059 13.021 1.00 3.30 N ATOM 1538 NH2 ARG A 117 7.355 2.794 13.389 1.00 3.61 N ATOM 0 H ARG A 117 9.896 4.276 6.546 1.00 0.42 H new ATOM 0 HA ARG A 117 10.984 2.035 7.917 1.00 0.44 H new ATOM 0 HB2 ARG A 117 9.889 2.908 9.862 1.00 0.57 H new ATOM 0 HB3 ARG A 117 10.538 4.263 8.961 1.00 0.57 H new ATOM 0 HG2 ARG A 117 8.394 4.945 8.206 1.00 0.90 H new ATOM 0 HG3 ARG A 117 7.661 3.405 8.607 1.00 0.90 H new ATOM 0 HD2 ARG A 117 8.807 5.351 10.643 1.00 1.39 H new ATOM 0 HD3 ARG A 117 7.110 5.244 10.219 1.00 1.39 H new ATOM 0 HE ARG A 117 7.969 2.636 10.978 1.00 1.99 H new ATOM 0 HH11 ARG A 117 7.559 5.850 12.392 1.00 3.30 H new ATOM 0 HH12 ARG A 117 7.182 5.221 14.000 1.00 3.30 H new ATOM 0 HH21 ARG A 117 7.448 1.838 13.044 1.00 3.61 H new ATOM 0 HH22 ARG A 117 7.119 2.963 14.367 1.00 3.61 H new ATOM 1552 N TRP A 118 7.818 1.903 6.981 1.00 0.43 N ATOM 1553 CA TRP A 118 6.664 1.016 6.928 1.00 0.51 C ATOM 1554 C TRP A 118 6.988 -0.240 6.129 1.00 0.51 C ATOM 1555 O TRP A 118 6.687 -1.356 6.555 1.00 0.60 O ATOM 1556 CB TRP A 118 5.433 1.706 6.326 1.00 0.59 C ATOM 1557 CG TRP A 118 4.915 2.866 7.126 1.00 0.89 C ATOM 1558 CD1 TRP A 118 4.486 4.062 6.629 1.00 0.98 C ATOM 1559 CD2 TRP A 118 4.766 2.952 8.554 1.00 1.69 C ATOM 1560 NE1 TRP A 118 4.086 4.886 7.648 1.00 1.51 N ATOM 1561 CE2 TRP A 118 4.248 4.231 8.839 1.00 2.00 C ATOM 1562 CE3 TRP A 118 5.019 2.078 9.619 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 3.982 4.655 10.136 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 4.753 2.502 10.906 1.00 3.18 C ATOM 1565 CH2 TRP A 118 4.240 3.781 11.156 1.00 3.39 C ATOM 0 H TRP A 118 7.703 2.789 6.490 1.00 0.43 H new ATOM 0 HA TRP A 118 6.427 0.742 7.956 1.00 0.51 H new ATOM 0 HB2 TRP A 118 5.682 2.055 5.324 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.636 0.970 6.219 1.00 0.59 H new ATOM 0 HD1 TRP A 118 4.465 4.322 5.581 1.00 0.98 H new ATOM 0 HE1 TRP A 118 3.726 5.834 7.537 1.00 1.51 H new ATOM 0 HE3 TRP A 118 5.415 1.090 9.437 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 3.585 5.640 10.331 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 4.944 1.836 11.734 1.00 3.18 H new ATOM 0 HH2 TRP A 118 4.044 4.083 12.174 1.00 3.39 H new ATOM 1576 N ILE A 119 7.625 -0.052 4.980 1.00 0.48 N ATOM 1577 CA ILE A 119 8.003 -1.166 4.120 1.00 0.54 C ATOM 1578 C ILE A 119 8.971 -2.101 4.848 1.00 0.53 C ATOM 1579 O ILE A 119 8.951 -3.316 4.650 1.00 0.58 O ATOM 1580 CB ILE A 119 8.633 -0.654 2.802 1.00 0.60 C ATOM 1581 CG1 ILE A 119 7.609 0.180 2.025 1.00 0.67 C ATOM 1582 CG2 ILE A 119 9.134 -1.808 1.943 1.00 0.69 C ATOM 1583 CD1 ILE A 119 8.160 0.785 0.753 1.00 0.81 C ATOM 0 H ILE A 119 7.891 0.865 4.621 1.00 0.48 H new ATOM 0 HA ILE A 119 7.101 -1.726 3.872 1.00 0.54 H new ATOM 0 HB ILE A 119 9.490 -0.029 3.054 1.00 0.60 H new ATOM 0 HG12 ILE A 119 6.754 -0.449 1.777 1.00 0.67 H new ATOM 0 HG13 ILE A 119 7.241 0.980 2.668 1.00 0.67 H new ATOM 0 HG21 ILE A 119 9.571 -1.415 1.025 1.00 0.69 H new ATOM 0 HG22 ILE A 119 9.889 -2.370 2.493 1.00 0.69 H new ATOM 0 HG23 ILE A 119 8.301 -2.466 1.696 1.00 0.69 H new ATOM 0 HD11 ILE A 119 7.379 1.361 0.256 1.00 0.81 H new ATOM 0 HD12 ILE A 119 8.997 1.440 0.995 1.00 0.81 H new ATOM 0 HD13 ILE A 119 8.502 -0.010 0.090 1.00 0.81 H new ATOM 1595 N LYS A 120 9.795 -1.529 5.716 1.00 0.52 N ATOM 1596 CA LYS A 120 10.737 -2.306 6.512 1.00 0.57 C ATOM 1597 C LYS A 120 10.028 -2.986 7.687 1.00 0.56 C ATOM 1598 O LYS A 120 10.282 -4.153 7.991 1.00 0.61 O ATOM 1599 CB LYS A 120 11.852 -1.395 7.034 1.00 0.66 C ATOM 1600 CG LYS A 120 12.895 -2.112 7.880 1.00 1.08 C ATOM 1601 CD LYS A 120 13.711 -3.107 7.065 1.00 1.68 C ATOM 1602 CE LYS A 120 14.532 -2.417 5.983 1.00 2.25 C ATOM 1603 NZ LYS A 120 15.443 -1.384 6.543 1.00 2.76 N ATOM 0 H LYS A 120 9.830 -0.524 5.888 1.00 0.52 H new ATOM 0 HA LYS A 120 11.168 -3.080 5.876 1.00 0.57 H new ATOM 0 HB2 LYS A 120 12.349 -0.924 6.186 1.00 0.66 H new ATOM 0 HB3 LYS A 120 11.406 -0.596 7.626 1.00 0.66 H new ATOM 0 HG2 LYS A 120 13.564 -1.378 8.329 1.00 1.08 H new ATOM 0 HG3 LYS A 120 12.400 -2.635 8.698 1.00 1.08 H new ATOM 0 HD2 LYS A 120 14.376 -3.660 7.728 1.00 1.68 H new ATOM 0 HD3 LYS A 120 13.042 -3.834 6.605 1.00 1.68 H new ATOM 0 HE2 LYS A 120 15.117 -3.161 5.443 1.00 2.25 H new ATOM 0 HE3 LYS A 120 13.861 -1.954 5.260 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 16.142 -1.110 5.823 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 14.890 -0.549 6.824 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 15.935 -1.769 7.374 1.00 2.76 H new ATOM 1617 N GLU A 121 9.133 -2.251 8.331 1.00 0.56 N ATOM 1618 CA GLU A 121 8.465 -2.714 9.541 1.00 0.63 C ATOM 1619 C GLU A 121 7.494 -3.856 9.249 1.00 0.67 C ATOM 1620 O GLU A 121 7.267 -4.721 10.094 1.00 0.79 O ATOM 1621 CB GLU A 121 7.729 -1.544 10.201 1.00 0.71 C ATOM 1622 CG GLU A 121 7.225 -1.841 11.602 1.00 1.18 C ATOM 1623 CD GLU A 121 6.764 -0.596 12.327 1.00 1.87 C ATOM 1624 OE1 GLU A 121 7.625 0.249 12.664 1.00 2.50 O ATOM 1625 OE2 GLU A 121 5.549 -0.462 12.585 1.00 2.57 O ATOM 0 H GLU A 121 8.849 -1.318 8.031 1.00 0.56 H new ATOM 0 HA GLU A 121 9.224 -3.099 10.222 1.00 0.63 H new ATOM 0 HB2 GLU A 121 8.398 -0.684 10.242 1.00 0.71 H new ATOM 0 HB3 GLU A 121 6.883 -1.261 9.574 1.00 0.71 H new ATOM 0 HG2 GLU A 121 6.400 -2.551 11.545 1.00 1.18 H new ATOM 0 HG3 GLU A 121 8.018 -2.319 12.176 1.00 1.18 H new ATOM 1632 N PHE A 122 6.921 -3.858 8.056 1.00 0.65 N ATOM 1633 CA PHE A 122 5.985 -4.907 7.675 1.00 0.76 C ATOM 1634 C PHE A 122 6.709 -6.135 7.137 1.00 0.78 C ATOM 1635 O PHE A 122 6.296 -7.266 7.400 1.00 0.89 O ATOM 1636 CB PHE A 122 4.980 -4.388 6.649 1.00 0.86 C ATOM 1637 CG PHE A 122 3.854 -3.611 7.266 1.00 1.36 C ATOM 1638 CD1 PHE A 122 4.066 -2.350 7.799 1.00 2.24 C ATOM 1639 CD2 PHE A 122 2.579 -4.149 7.317 1.00 1.98 C ATOM 1640 CE1 PHE A 122 3.030 -1.642 8.372 1.00 2.95 C ATOM 1641 CE2 PHE A 122 1.538 -3.444 7.888 1.00 2.74 C ATOM 1642 CZ PHE A 122 1.764 -2.189 8.416 1.00 3.02 C ATOM 0 H PHE A 122 7.085 -3.151 7.339 1.00 0.65 H new ATOM 0 HA PHE A 122 5.444 -5.206 8.573 1.00 0.76 H new ATOM 0 HB2 PHE A 122 5.499 -3.754 5.930 1.00 0.86 H new ATOM 0 HB3 PHE A 122 4.570 -5.231 6.093 1.00 0.86 H new ATOM 0 HD1 PHE A 122 5.054 -1.916 7.766 1.00 2.24 H new ATOM 0 HD2 PHE A 122 2.397 -5.131 6.906 1.00 1.98 H new ATOM 0 HE1 PHE A 122 3.210 -0.661 8.786 1.00 2.95 H new ATOM 0 HE2 PHE A 122 0.548 -3.874 7.921 1.00 2.74 H new ATOM 0 HZ PHE A 122 0.951 -1.636 8.863 1.00 3.02 H new ATOM 1652 N SER A 123 7.791 -5.918 6.397 1.00 0.72 N ATOM 1653 CA SER A 123 8.548 -7.024 5.825 1.00 0.79 C ATOM 1654 C SER A 123 9.272 -7.804 6.917 1.00 0.81 C ATOM 1655 O SER A 123 9.332 -9.034 6.857 1.00 1.02 O ATOM 1656 CB SER A 123 9.549 -6.506 4.786 1.00 0.82 C ATOM 1657 OG SER A 123 10.362 -5.474 5.320 1.00 1.40 O ATOM 0 H SER A 123 8.161 -4.993 6.181 1.00 0.72 H new ATOM 0 HA SER A 123 7.848 -7.697 5.329 1.00 0.79 H new ATOM 0 HB2 SER A 123 10.179 -7.327 4.444 1.00 0.82 H new ATOM 0 HB3 SER A 123 9.011 -6.133 3.914 1.00 0.82 H new ATOM 0 HG SER A 123 10.009 -4.603 5.043 1.00 1.40 H new ATOM 1663 N GLU A 124 9.796 -7.095 7.918 1.00 0.80 N ATOM 1664 CA GLU A 124 10.486 -7.735 9.036 1.00 1.00 C ATOM 1665 C GLU A 124 11.588 -8.658 8.533 1.00 1.48 C ATOM 1666 O GLU A 124 11.642 -9.841 8.874 1.00 2.09 O ATOM 1667 CB GLU A 124 9.493 -8.505 9.908 1.00 1.88 C ATOM 1668 CG GLU A 124 8.540 -7.603 10.672 1.00 2.61 C ATOM 1669 CD GLU A 124 9.200 -6.910 11.847 1.00 3.54 C ATOM 1670 OE1 GLU A 124 8.769 -7.152 12.996 1.00 4.12 O ATOM 1671 OE2 GLU A 124 10.150 -6.124 11.636 1.00 4.14 O ATOM 0 H GLU A 124 9.755 -6.077 7.976 1.00 0.80 H new ATOM 0 HA GLU A 124 10.947 -6.957 9.644 1.00 1.00 H new ATOM 0 HB2 GLU A 124 8.916 -9.182 9.278 1.00 1.88 H new ATOM 0 HB3 GLU A 124 10.045 -9.122 10.617 1.00 1.88 H new ATOM 0 HG2 GLU A 124 8.136 -6.852 9.993 1.00 2.61 H new ATOM 0 HG3 GLU A 124 7.698 -8.194 11.031 1.00 2.61 H new ATOM 1678 N GLU A 125 12.445 -8.105 7.695 1.00 2.33 N ATOM 1679 CA GLU A 125 13.566 -8.838 7.147 1.00 3.47 C ATOM 1680 C GLU A 125 14.815 -7.973 7.237 1.00 4.34 C ATOM 1681 O GLU A 125 15.454 -7.966 8.310 1.00 4.92 O ATOM 1682 CB GLU A 125 13.275 -9.237 5.694 1.00 4.25 C ATOM 1683 CG GLU A 125 14.358 -10.093 5.049 1.00 4.82 C ATOM 1684 CD GLU A 125 14.536 -11.435 5.732 1.00 5.68 C ATOM 1685 OE1 GLU A 125 13.812 -12.389 5.377 1.00 6.29 O ATOM 1686 OE2 GLU A 125 15.411 -11.543 6.618 1.00 6.07 O ATOM 1687 OXT GLU A 125 15.137 -7.277 6.253 1.00 4.84 O ATOM 0 H GLU A 125 12.382 -7.138 7.377 1.00 2.33 H new ATOM 0 HA GLU A 125 13.727 -9.752 7.718 1.00 3.47 H new ATOM 0 HB2 GLU A 125 12.331 -9.781 5.661 1.00 4.25 H new ATOM 0 HB3 GLU A 125 13.142 -8.332 5.101 1.00 4.25 H new ATOM 0 HG2 GLU A 125 14.109 -10.255 4.000 1.00 4.82 H new ATOM 0 HG3 GLU A 125 15.304 -9.551 5.072 1.00 4.82 H new TER 1694 GLU A 125