USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 854 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 MET CE :methyl 153:sc= 0 (180deg=-0.646) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 20:sc= 1.29 USER MOD Single : A 30 ASN : amide:sc= -0.798 K(o=-0.8,f=-4.3!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0439) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0772) USER MOD Single : A 41 MET CE :methyl -114:sc= -0.066 (180deg=-0.95) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc=-0.00711 (180deg=-0.207) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 45:sc= 0.0849 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0137 (180deg=-0.197) USER MOD Single : A 60 LYS NZ :NH3+ -163:sc= -0.0451 (180deg=-0.291) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -158:sc= -0.735 (180deg=-1.58) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 2.2 (180deg=2.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.1) USER MOD Single : A 88 SER OG : rot -130:sc= -0.243 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 160:sc= -0.0823 (180deg=-0.458) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0298 (180deg=-0.227) USER MOD Single : A 96 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= -0.0288 (180deg=-0.246) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 116:sc= 0.694 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0416 USER MOD Single : A 115 LYS NZ :NH3+ -136:sc= 0.1 (180deg=-1.48!) USER MOD Single : A 119 LYS NZ :NH3+ 166:sc= -0.0205 (180deg=-0.224) USER MOD Single : A 122 SER OG : rot -80:sc= 0.369 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -7.745 -13.158 4.921 1.00 0.86 N ATOM 2 CA MET A 21 -7.660 -11.738 4.503 1.00 0.65 C ATOM 3 C MET A 21 -6.640 -11.571 3.380 1.00 0.55 C ATOM 4 O MET A 21 -5.528 -12.091 3.460 1.00 0.75 O ATOM 5 CB MET A 21 -7.274 -10.846 5.692 1.00 0.73 C ATOM 6 CG MET A 21 -5.916 -11.173 6.295 1.00 1.04 C ATOM 7 SD MET A 21 -5.446 -10.036 7.612 1.00 1.93 S ATOM 8 CE MET A 21 -3.808 -10.648 8.006 1.00 2.17 C ATOM 0 HA MET A 21 -8.641 -11.434 4.138 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.275 -9.805 5.368 1.00 0.73 H new ATOM 0 HB3 MET A 21 -8.036 -10.940 6.466 1.00 0.73 H new ATOM 0 HG2 MET A 21 -5.933 -12.190 6.688 1.00 1.04 H new ATOM 0 HG3 MET A 21 -5.159 -11.147 5.511 1.00 1.04 H new ATOM 0 HE1 MET A 21 -3.205 -9.837 8.413 1.00 2.17 H new ATOM 0 HE2 MET A 21 -3.886 -11.447 8.743 1.00 2.17 H new ATOM 0 HE3 MET A 21 -3.336 -11.033 7.102 1.00 2.17 H new ATOM 17 N THR A 22 -7.019 -10.869 2.325 1.00 0.43 N ATOM 18 CA THR A 22 -6.085 -10.580 1.251 1.00 0.41 C ATOM 19 C THR A 22 -5.280 -9.337 1.597 1.00 0.35 C ATOM 20 O THR A 22 -5.848 -8.302 1.956 1.00 0.38 O ATOM 21 CB THR A 22 -6.811 -10.361 -0.086 1.00 0.52 C ATOM 22 OG1 THR A 22 -7.870 -11.310 -0.218 1.00 0.82 O ATOM 23 CG2 THR A 22 -5.848 -10.521 -1.253 1.00 0.63 C ATOM 0 H THR A 22 -7.957 -10.492 2.190 1.00 0.43 H new ATOM 0 HA THR A 22 -5.423 -11.439 1.141 1.00 0.41 H new ATOM 0 HB THR A 22 -7.215 -9.349 -0.098 1.00 0.52 H new ATOM 0 HG1 THR A 22 -8.333 -11.168 -1.070 1.00 0.82 H new ATOM 0 HG21 THR A 22 -6.382 -10.362 -2.190 1.00 0.63 H new ATOM 0 HG22 THR A 22 -5.045 -9.790 -1.165 1.00 0.63 H new ATOM 0 HG23 THR A 22 -5.427 -11.526 -1.242 1.00 0.63 H new ATOM 31 N LEU A 23 -3.964 -9.447 1.523 1.00 0.32 N ATOM 32 CA LEU A 23 -3.101 -8.329 1.849 1.00 0.29 C ATOM 33 C LEU A 23 -2.528 -7.702 0.586 1.00 0.26 C ATOM 34 O LEU A 23 -1.770 -8.335 -0.157 1.00 0.30 O ATOM 35 CB LEU A 23 -1.970 -8.766 2.784 1.00 0.30 C ATOM 36 CG LEU A 23 -2.419 -9.348 4.129 1.00 0.36 C ATOM 37 CD1 LEU A 23 -1.211 -9.665 4.995 1.00 0.39 C ATOM 38 CD2 LEU A 23 -3.353 -8.387 4.848 1.00 0.39 C ATOM 0 H LEU A 23 -3.474 -10.296 1.241 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.704 -7.581 2.364 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -1.363 -9.511 2.269 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -1.327 -7.907 2.975 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.964 -10.272 3.939 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -1.544 -10.078 5.947 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.579 -10.392 4.486 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.642 -8.753 5.174 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.659 -8.821 5.800 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.837 -7.444 5.028 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -4.234 -8.206 4.232 1.00 0.39 H new ATOM 50 N PHE A 24 -2.912 -6.463 0.341 1.00 0.25 N ATOM 51 CA PHE A 24 -2.414 -5.719 -0.802 1.00 0.25 C ATOM 52 C PHE A 24 -1.418 -4.678 -0.328 1.00 0.26 C ATOM 53 O PHE A 24 -1.437 -4.282 0.838 1.00 0.30 O ATOM 54 CB PHE A 24 -3.555 -5.007 -1.536 1.00 0.28 C ATOM 55 CG PHE A 24 -4.716 -5.888 -1.892 1.00 0.34 C ATOM 56 CD1 PHE A 24 -5.724 -6.132 -0.973 1.00 1.24 C ATOM 57 CD2 PHE A 24 -4.807 -6.464 -3.146 1.00 1.25 C ATOM 58 CE1 PHE A 24 -6.795 -6.935 -1.299 1.00 1.25 C ATOM 59 CE2 PHE A 24 -5.875 -7.268 -3.476 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.870 -7.505 -2.552 1.00 0.51 C ATOM 0 H PHE A 24 -3.572 -5.947 0.923 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.939 -6.423 -1.486 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -3.915 -4.188 -0.913 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -3.160 -4.562 -2.449 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -5.669 -5.688 0.010 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -4.031 -6.281 -3.875 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -7.575 -7.118 -0.574 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -5.933 -7.713 -4.458 1.00 1.30 H new ATOM 0 HZ PHE A 24 -7.707 -8.137 -2.809 1.00 0.51 H new ATOM 70 N VAL A 25 -0.554 -4.233 -1.215 1.00 0.29 N ATOM 71 CA VAL A 25 0.342 -3.145 -0.896 1.00 0.31 C ATOM 72 C VAL A 25 0.558 -2.242 -2.100 1.00 0.30 C ATOM 73 O VAL A 25 0.817 -2.697 -3.214 1.00 0.35 O ATOM 74 CB VAL A 25 1.703 -3.625 -0.338 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.312 -4.707 -1.214 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.655 -2.443 -0.193 1.00 0.98 C ATOM 0 H VAL A 25 -0.454 -4.607 -2.159 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.145 -2.576 -0.105 1.00 0.31 H new ATOM 0 HB VAL A 25 1.533 -4.061 0.646 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.267 -5.021 -0.793 1.00 1.08 H new ATOM 0 HG12 VAL A 25 1.637 -5.561 -1.259 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.470 -4.316 -2.219 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.610 -2.791 0.200 1.00 0.98 H new ATOM 0 HG22 VAL A 25 2.811 -1.980 -1.167 1.00 0.98 H new ATOM 0 HG23 VAL A 25 2.225 -1.712 0.492 1.00 0.98 H new ATOM 86 N LEU A 26 0.408 -0.960 -1.857 1.00 0.34 N ATOM 87 CA LEU A 26 0.650 0.058 -2.847 1.00 0.35 C ATOM 88 C LEU A 26 1.809 0.924 -2.396 1.00 0.34 C ATOM 89 O LEU A 26 2.172 0.924 -1.218 1.00 0.36 O ATOM 90 CB LEU A 26 -0.580 0.940 -3.041 1.00 0.40 C ATOM 91 CG LEU A 26 -1.704 0.374 -3.920 1.00 0.44 C ATOM 92 CD1 LEU A 26 -2.334 -0.860 -3.305 1.00 1.18 C ATOM 93 CD2 LEU A 26 -2.764 1.429 -4.151 1.00 1.09 C ATOM 0 H LEU A 26 0.110 -0.593 -0.953 1.00 0.34 H new ATOM 0 HA LEU A 26 0.881 -0.431 -3.794 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -0.996 1.164 -2.059 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.255 1.887 -3.472 1.00 0.40 H new ATOM 0 HG LEU A 26 -1.261 0.083 -4.873 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -3.125 -1.229 -3.958 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.575 -1.633 -3.181 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -2.756 -0.607 -2.332 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -3.557 1.018 -4.776 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -3.181 1.741 -3.194 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -2.318 2.289 -4.650 1.00 1.09 H new ATOM 105 N ILE A 27 2.377 1.666 -3.319 1.00 0.34 N ATOM 106 CA ILE A 27 3.491 2.535 -3.003 1.00 0.32 C ATOM 107 C ILE A 27 3.471 3.768 -3.891 1.00 0.30 C ATOM 108 O ILE A 27 3.346 3.657 -5.111 1.00 0.36 O ATOM 109 CB ILE A 27 4.839 1.789 -3.171 1.00 0.33 C ATOM 110 CG1 ILE A 27 6.021 2.734 -2.920 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.932 1.165 -4.558 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.374 2.057 -3.003 1.00 0.55 C ATOM 0 H ILE A 27 2.087 1.686 -4.297 1.00 0.34 H new ATOM 0 HA ILE A 27 3.391 2.844 -1.962 1.00 0.32 H new ATOM 0 HB ILE A 27 4.883 0.991 -2.430 1.00 0.33 H new ATOM 0 HG12 ILE A 27 5.986 3.545 -3.647 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.911 3.185 -1.934 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.884 0.645 -4.660 1.00 0.35 H new ATOM 0 HG22 ILE A 27 4.115 0.456 -4.694 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.863 1.947 -5.314 1.00 0.35 H new ATOM 0 HD11 ILE A 27 8.159 2.789 -2.814 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.430 1.264 -2.257 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.507 1.630 -3.997 1.00 0.55 H new ATOM 124 N LEU A 28 3.555 4.947 -3.290 1.00 0.30 N ATOM 125 CA LEU A 28 3.747 6.139 -4.081 1.00 0.36 C ATOM 126 C LEU A 28 4.981 6.873 -3.588 1.00 0.38 C ATOM 127 O LEU A 28 4.900 7.870 -2.869 1.00 0.41 O ATOM 128 CB LEU A 28 2.519 7.042 -3.978 1.00 0.46 C ATOM 129 CG LEU A 28 2.174 7.808 -5.250 1.00 0.62 C ATOM 130 CD1 LEU A 28 1.765 6.836 -6.340 1.00 1.24 C ATOM 131 CD2 LEU A 28 1.066 8.813 -4.987 1.00 1.18 C ATOM 0 H LEU A 28 3.494 5.096 -2.283 1.00 0.30 H new ATOM 0 HA LEU A 28 3.885 5.862 -5.126 1.00 0.36 H new ATOM 0 HB2 LEU A 28 1.661 6.432 -3.695 1.00 0.46 H new ATOM 0 HB3 LEU A 28 2.680 7.759 -3.173 1.00 0.46 H new ATOM 0 HG LEU A 28 3.056 8.358 -5.580 1.00 0.62 H new ATOM 0 HD11 LEU A 28 1.519 7.389 -7.247 1.00 1.24 H new ATOM 0 HD12 LEU A 28 2.588 6.151 -6.544 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.893 6.269 -6.013 1.00 1.24 H new ATOM 0 HD21 LEU A 28 0.835 9.349 -5.908 1.00 1.18 H new ATOM 0 HD22 LEU A 28 0.176 8.290 -4.638 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.391 9.522 -4.226 1.00 1.18 H new ATOM 143 N SER A 29 6.120 6.354 -3.989 1.00 0.44 N ATOM 144 CA SER A 29 7.398 7.000 -3.796 1.00 0.56 C ATOM 145 C SER A 29 8.287 6.586 -4.955 1.00 0.68 C ATOM 146 O SER A 29 8.970 5.567 -4.865 1.00 1.05 O ATOM 147 CB SER A 29 8.011 6.574 -2.457 1.00 0.61 C ATOM 148 OG SER A 29 9.026 7.474 -2.035 1.00 1.27 O ATOM 0 H SER A 29 6.185 5.455 -4.467 1.00 0.44 H new ATOM 0 HA SER A 29 7.288 8.084 -3.770 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.230 6.524 -1.698 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.429 5.572 -2.550 1.00 0.61 H new ATOM 0 HG SER A 29 8.916 8.331 -2.497 1.00 1.27 H new ATOM 154 N ASN A 30 8.275 7.313 -6.059 1.00 0.60 N ATOM 155 CA ASN A 30 8.952 6.795 -7.231 1.00 0.67 C ATOM 156 C ASN A 30 10.430 7.132 -7.210 1.00 0.64 C ATOM 157 O ASN A 30 10.867 8.169 -7.707 1.00 0.68 O ATOM 158 CB ASN A 30 8.300 7.327 -8.510 1.00 0.79 C ATOM 159 CG ASN A 30 6.849 6.911 -8.625 1.00 1.85 C ATOM 160 OD1 ASN A 30 5.947 7.631 -8.194 1.00 2.75 O ATOM 161 ND2 ASN A 30 6.611 5.744 -9.203 1.00 2.45 N ATOM 0 H ASN A 30 7.826 8.222 -6.168 1.00 0.60 H new ATOM 0 HA ASN A 30 8.856 5.709 -7.216 1.00 0.67 H new ATOM 0 HB2 ASN A 30 8.367 8.415 -8.525 1.00 0.79 H new ATOM 0 HB3 ASN A 30 8.851 6.962 -9.376 1.00 0.79 H new ATOM 0 HD21 ASN A 30 5.652 5.411 -9.305 1.00 2.45 H new ATOM 0 HD22 ASN A 30 7.386 5.178 -9.547 1.00 2.45 H new ATOM 168 N ASP A 31 11.184 6.237 -6.597 1.00 0.63 N ATOM 169 CA ASP A 31 12.621 6.156 -6.763 1.00 0.67 C ATOM 170 C ASP A 31 12.954 4.785 -7.339 1.00 0.72 C ATOM 171 O ASP A 31 12.329 3.801 -6.942 1.00 0.81 O ATOM 172 CB ASP A 31 13.337 6.405 -5.433 1.00 0.72 C ATOM 173 CG ASP A 31 14.828 6.155 -5.515 1.00 0.92 C ATOM 174 OD1 ASP A 31 15.254 5.010 -5.270 1.00 1.45 O ATOM 175 OD2 ASP A 31 15.580 7.108 -5.813 1.00 1.57 O ATOM 0 H ASP A 31 10.807 5.535 -5.960 1.00 0.63 H new ATOM 0 HA ASP A 31 12.968 6.928 -7.450 1.00 0.67 H new ATOM 0 HB2 ASP A 31 13.162 7.434 -5.118 1.00 0.72 H new ATOM 0 HB3 ASP A 31 12.906 5.760 -4.667 1.00 0.72 H new ATOM 180 N LYS A 32 13.895 4.697 -8.266 1.00 0.78 N ATOM 181 CA LYS A 32 14.174 3.421 -8.926 1.00 0.82 C ATOM 182 C LYS A 32 14.560 2.330 -7.926 1.00 0.79 C ATOM 183 O LYS A 32 13.854 1.327 -7.795 1.00 0.81 O ATOM 184 CB LYS A 32 15.272 3.566 -9.986 1.00 0.99 C ATOM 185 CG LYS A 32 14.786 4.110 -11.325 1.00 1.10 C ATOM 186 CD LYS A 32 14.236 5.523 -11.215 1.00 1.61 C ATOM 187 CE LYS A 32 13.668 6.002 -12.540 1.00 2.22 C ATOM 188 NZ LYS A 32 13.056 7.352 -12.429 1.00 2.93 N ATOM 0 H LYS A 32 14.473 5.477 -8.578 1.00 0.78 H new ATOM 0 HA LYS A 32 13.249 3.120 -9.418 1.00 0.82 H new ATOM 0 HB2 LYS A 32 16.048 4.226 -9.600 1.00 0.99 H new ATOM 0 HB3 LYS A 32 15.734 2.592 -10.149 1.00 0.99 H new ATOM 0 HG2 LYS A 32 15.610 4.099 -12.038 1.00 1.10 H new ATOM 0 HG3 LYS A 32 14.012 3.452 -11.721 1.00 1.10 H new ATOM 0 HD2 LYS A 32 13.458 5.554 -10.452 1.00 1.61 H new ATOM 0 HD3 LYS A 32 15.027 6.199 -10.891 1.00 1.61 H new ATOM 0 HE2 LYS A 32 14.461 6.024 -13.287 1.00 2.22 H new ATOM 0 HE3 LYS A 32 12.919 5.292 -12.891 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 12.681 7.640 -13.355 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 12.282 7.326 -11.735 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 13.776 8.035 -12.119 1.00 2.93 H new ATOM 202 N LYS A 33 15.655 2.538 -7.202 1.00 0.84 N ATOM 203 CA LYS A 33 16.182 1.508 -6.311 1.00 0.86 C ATOM 204 C LYS A 33 15.255 1.280 -5.119 1.00 0.74 C ATOM 205 O LYS A 33 15.175 0.169 -4.593 1.00 0.70 O ATOM 206 CB LYS A 33 17.601 1.859 -5.846 1.00 1.02 C ATOM 207 CG LYS A 33 17.713 3.195 -5.127 1.00 1.56 C ATOM 208 CD LYS A 33 19.164 3.603 -4.918 1.00 2.24 C ATOM 209 CE LYS A 33 19.923 2.605 -4.055 1.00 2.94 C ATOM 210 NZ LYS A 33 19.408 2.563 -2.661 1.00 3.44 N ATOM 0 H LYS A 33 16.193 3.405 -7.214 1.00 0.84 H new ATOM 0 HA LYS A 33 16.233 0.576 -6.873 1.00 0.86 H new ATOM 0 HB2 LYS A 33 17.958 1.072 -5.182 1.00 1.02 H new ATOM 0 HB3 LYS A 33 18.262 1.870 -6.712 1.00 1.02 H new ATOM 0 HG2 LYS A 33 17.199 3.963 -5.705 1.00 1.56 H new ATOM 0 HG3 LYS A 33 17.210 3.132 -4.162 1.00 1.56 H new ATOM 0 HD2 LYS A 33 19.657 3.693 -5.886 1.00 2.24 H new ATOM 0 HD3 LYS A 33 19.199 4.587 -4.450 1.00 2.24 H new ATOM 0 HE2 LYS A 33 19.847 1.612 -4.499 1.00 2.94 H new ATOM 0 HE3 LYS A 33 20.981 2.869 -4.042 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 20.026 1.961 -2.080 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 19.393 3.526 -2.267 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 18.444 2.173 -2.659 1.00 3.44 H new ATOM 224 N LEU A 34 14.561 2.331 -4.696 1.00 0.72 N ATOM 225 CA LEU A 34 13.551 2.215 -3.649 1.00 0.64 C ATOM 226 C LEU A 34 12.488 1.202 -4.049 1.00 0.58 C ATOM 227 O LEU A 34 12.236 0.235 -3.328 1.00 0.62 O ATOM 228 CB LEU A 34 12.900 3.576 -3.405 1.00 0.63 C ATOM 229 CG LEU A 34 11.621 3.572 -2.558 1.00 0.69 C ATOM 230 CD1 LEU A 34 11.877 3.068 -1.158 1.00 1.37 C ATOM 231 CD2 LEU A 34 11.026 4.962 -2.512 1.00 1.46 C ATOM 0 H LEU A 34 14.679 3.275 -5.063 1.00 0.72 H new ATOM 0 HA LEU A 34 14.034 1.875 -2.733 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.630 4.223 -2.920 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.670 4.024 -4.372 1.00 0.63 H new ATOM 0 HG LEU A 34 10.913 2.890 -3.029 1.00 0.69 H new ATOM 0 HD11 LEU A 34 10.946 3.081 -0.591 1.00 1.37 H new ATOM 0 HD12 LEU A 34 12.261 2.049 -1.203 1.00 1.37 H new ATOM 0 HD13 LEU A 34 12.609 3.710 -0.668 1.00 1.37 H new ATOM 0 HD21 LEU A 34 10.118 4.949 -1.909 1.00 1.46 H new ATOM 0 HD22 LEU A 34 11.746 5.651 -2.071 1.00 1.46 H new ATOM 0 HD23 LEU A 34 10.785 5.288 -3.524 1.00 1.46 H new ATOM 243 N ILE A 35 11.889 1.423 -5.211 1.00 0.54 N ATOM 244 CA ILE A 35 10.837 0.555 -5.715 1.00 0.52 C ATOM 245 C ILE A 35 11.335 -0.878 -5.868 1.00 0.55 C ATOM 246 O ILE A 35 10.647 -1.826 -5.487 1.00 0.58 O ATOM 247 CB ILE A 35 10.295 1.069 -7.069 1.00 0.56 C ATOM 248 CG1 ILE A 35 9.505 2.364 -6.861 1.00 0.57 C ATOM 249 CG2 ILE A 35 9.431 0.016 -7.752 1.00 0.61 C ATOM 250 CD1 ILE A 35 8.990 2.970 -8.147 1.00 0.69 C ATOM 0 H ILE A 35 12.117 2.204 -5.826 1.00 0.54 H new ATOM 0 HA ILE A 35 10.027 0.567 -4.986 1.00 0.52 H new ATOM 0 HB ILE A 35 11.144 1.275 -7.721 1.00 0.56 H new ATOM 0 HG12 ILE A 35 8.662 2.164 -6.200 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.141 3.091 -6.355 1.00 0.57 H new ATOM 0 HG21 ILE A 35 9.064 0.406 -8.701 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.025 -0.880 -7.933 1.00 0.61 H new ATOM 0 HG23 ILE A 35 8.585 -0.232 -7.111 1.00 0.61 H new ATOM 0 HD11 ILE A 35 8.440 3.884 -7.924 1.00 0.69 H new ATOM 0 HD12 ILE A 35 9.830 3.202 -8.802 1.00 0.69 H new ATOM 0 HD13 ILE A 35 8.328 2.261 -8.644 1.00 0.69 H new ATOM 262 N GLU A 36 12.539 -1.030 -6.402 1.00 0.59 N ATOM 263 CA GLU A 36 13.106 -2.351 -6.628 1.00 0.66 C ATOM 264 C GLU A 36 13.299 -3.106 -5.315 1.00 0.62 C ATOM 265 O GLU A 36 12.826 -4.233 -5.172 1.00 0.62 O ATOM 266 CB GLU A 36 14.430 -2.249 -7.382 1.00 0.79 C ATOM 267 CG GLU A 36 14.282 -1.668 -8.777 1.00 0.76 C ATOM 268 CD GLU A 36 15.553 -1.767 -9.589 1.00 1.34 C ATOM 269 OE1 GLU A 36 16.014 -0.729 -10.106 1.00 2.15 O ATOM 270 OE2 GLU A 36 16.092 -2.887 -9.721 1.00 1.87 O ATOM 0 H GLU A 36 13.140 -0.257 -6.686 1.00 0.59 H new ATOM 0 HA GLU A 36 12.399 -2.913 -7.238 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.120 -1.630 -6.809 1.00 0.79 H new ATOM 0 HB3 GLU A 36 14.877 -3.241 -7.454 1.00 0.79 H new ATOM 0 HG2 GLU A 36 13.480 -2.189 -9.300 1.00 0.76 H new ATOM 0 HG3 GLU A 36 13.985 -0.622 -8.701 1.00 0.76 H new ATOM 277 N GLU A 37 13.965 -2.477 -4.353 1.00 0.62 N ATOM 278 CA GLU A 37 14.250 -3.123 -3.075 1.00 0.65 C ATOM 279 C GLU A 37 12.971 -3.363 -2.275 1.00 0.56 C ATOM 280 O GLU A 37 12.845 -4.374 -1.579 1.00 0.57 O ATOM 281 CB GLU A 37 15.233 -2.288 -2.255 1.00 0.73 C ATOM 282 CG GLU A 37 16.612 -2.186 -2.886 1.00 0.85 C ATOM 283 CD GLU A 37 17.245 -3.541 -3.122 1.00 1.30 C ATOM 284 OE1 GLU A 37 17.597 -4.215 -2.132 1.00 2.05 O ATOM 285 OE2 GLU A 37 17.397 -3.934 -4.296 1.00 1.84 O ATOM 0 H GLU A 37 14.317 -1.523 -4.432 1.00 0.62 H new ATOM 0 HA GLU A 37 14.703 -4.091 -3.290 1.00 0.65 H new ATOM 0 HB2 GLU A 37 14.826 -1.285 -2.125 1.00 0.73 H new ATOM 0 HB3 GLU A 37 15.328 -2.725 -1.261 1.00 0.73 H new ATOM 0 HG2 GLU A 37 16.535 -1.655 -3.835 1.00 0.85 H new ATOM 0 HG3 GLU A 37 17.260 -1.594 -2.240 1.00 0.85 H new ATOM 292 N ALA A 38 12.027 -2.435 -2.376 1.00 0.51 N ATOM 293 CA ALA A 38 10.750 -2.573 -1.687 1.00 0.46 C ATOM 294 C ALA A 38 9.936 -3.709 -2.290 1.00 0.42 C ATOM 295 O ALA A 38 9.327 -4.503 -1.568 1.00 0.43 O ATOM 296 CB ALA A 38 9.967 -1.270 -1.741 1.00 0.50 C ATOM 0 H ALA A 38 12.121 -1.581 -2.927 1.00 0.51 H new ATOM 0 HA ALA A 38 10.950 -2.810 -0.642 1.00 0.46 H new ATOM 0 HB1 ALA A 38 9.017 -1.394 -1.221 1.00 0.50 H new ATOM 0 HB2 ALA A 38 10.543 -0.479 -1.260 1.00 0.50 H new ATOM 0 HB3 ALA A 38 9.779 -1.001 -2.781 1.00 0.50 H new ATOM 302 N ARG A 39 9.939 -3.793 -3.616 1.00 0.43 N ATOM 303 CA ARG A 39 9.224 -4.851 -4.309 1.00 0.45 C ATOM 304 C ARG A 39 9.808 -6.209 -3.972 1.00 0.45 C ATOM 305 O ARG A 39 9.070 -7.132 -3.687 1.00 0.49 O ATOM 306 CB ARG A 39 9.241 -4.638 -5.820 1.00 0.53 C ATOM 307 CG ARG A 39 8.701 -5.824 -6.614 1.00 0.60 C ATOM 308 CD ARG A 39 8.608 -5.487 -8.092 1.00 0.77 C ATOM 309 NE ARG A 39 9.913 -5.106 -8.633 1.00 1.46 N ATOM 310 CZ ARG A 39 10.113 -4.124 -9.513 1.00 1.90 C ATOM 311 NH1 ARG A 39 9.087 -3.439 -10.004 1.00 1.82 N ATOM 312 NH2 ARG A 39 11.346 -3.840 -9.914 1.00 2.96 N ATOM 0 H ARG A 39 10.429 -3.141 -4.229 1.00 0.43 H new ATOM 0 HA ARG A 39 8.189 -4.819 -3.970 1.00 0.45 H new ATOM 0 HB2 ARG A 39 8.651 -3.753 -6.060 1.00 0.53 H new ATOM 0 HB3 ARG A 39 10.264 -4.435 -6.138 1.00 0.53 H new ATOM 0 HG2 ARG A 39 9.351 -6.688 -6.474 1.00 0.60 H new ATOM 0 HG3 ARG A 39 7.717 -6.102 -6.237 1.00 0.60 H new ATOM 0 HD2 ARG A 39 8.222 -6.347 -8.640 1.00 0.77 H new ATOM 0 HD3 ARG A 39 7.899 -4.672 -8.238 1.00 0.77 H new ATOM 0 HE ARG A 39 10.729 -5.629 -8.314 1.00 1.46 H new ATOM 0 HH11 ARG A 39 8.137 -3.662 -9.709 1.00 1.82 H new ATOM 0 HH12 ARG A 39 9.249 -2.690 -10.677 1.00 1.82 H new ATOM 0 HH21 ARG A 39 12.136 -4.372 -9.549 1.00 2.96 H new ATOM 0 HH22 ARG A 39 11.503 -3.090 -10.587 1.00 2.96 H new ATOM 326 N LYS A 40 11.130 -6.324 -3.983 1.00 0.49 N ATOM 327 CA LYS A 40 11.788 -7.595 -3.679 1.00 0.55 C ATOM 328 C LYS A 40 11.296 -8.160 -2.347 1.00 0.49 C ATOM 329 O LYS A 40 11.160 -9.374 -2.186 1.00 0.54 O ATOM 330 CB LYS A 40 13.305 -7.414 -3.647 1.00 0.70 C ATOM 331 CG LYS A 40 13.896 -7.082 -5.005 1.00 0.85 C ATOM 332 CD LYS A 40 15.361 -6.699 -4.905 1.00 1.27 C ATOM 333 CE LYS A 40 15.927 -6.317 -6.262 1.00 1.34 C ATOM 334 NZ LYS A 40 15.976 -7.477 -7.191 1.00 1.88 N ATOM 0 H LYS A 40 11.768 -5.558 -4.198 1.00 0.49 H new ATOM 0 HA LYS A 40 11.534 -8.305 -4.466 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.555 -6.619 -2.945 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.766 -8.327 -3.271 1.00 0.70 H new ATOM 0 HG2 LYS A 40 13.790 -7.941 -5.667 1.00 0.85 H new ATOM 0 HG3 LYS A 40 13.336 -6.262 -5.454 1.00 0.85 H new ATOM 0 HD2 LYS A 40 15.474 -5.864 -4.214 1.00 1.27 H new ATOM 0 HD3 LYS A 40 15.930 -7.533 -4.493 1.00 1.27 H new ATOM 0 HE2 LYS A 40 15.317 -5.527 -6.700 1.00 1.34 H new ATOM 0 HE3 LYS A 40 16.931 -5.911 -6.135 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 16.505 -7.214 -8.047 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 16.449 -8.276 -6.723 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 15.008 -7.753 -7.453 1.00 1.88 H new ATOM 348 N MET A 41 11.010 -7.268 -1.411 1.00 0.45 N ATOM 349 CA MET A 41 10.511 -7.650 -0.110 1.00 0.46 C ATOM 350 C MET A 41 9.058 -8.128 -0.189 1.00 0.41 C ATOM 351 O MET A 41 8.741 -9.243 0.220 1.00 0.46 O ATOM 352 CB MET A 41 10.626 -6.450 0.823 1.00 0.57 C ATOM 353 CG MET A 41 10.230 -6.737 2.251 1.00 0.89 C ATOM 354 SD MET A 41 11.287 -7.971 3.030 1.00 1.10 S ATOM 355 CE MET A 41 10.567 -8.036 4.667 1.00 1.68 C ATOM 0 H MET A 41 11.119 -6.262 -1.537 1.00 0.45 H new ATOM 0 HA MET A 41 11.104 -8.481 0.272 1.00 0.46 H new ATOM 0 HB2 MET A 41 11.655 -6.090 0.808 1.00 0.57 H new ATOM 0 HB3 MET A 41 10.000 -5.644 0.439 1.00 0.57 H new ATOM 0 HG2 MET A 41 10.271 -5.813 2.828 1.00 0.89 H new ATOM 0 HG3 MET A 41 9.196 -7.082 2.275 1.00 0.89 H new ATOM 0 HE1 MET A 41 11.285 -7.659 5.395 1.00 1.68 H new ATOM 0 HE2 MET A 41 9.667 -7.422 4.693 1.00 1.68 H new ATOM 0 HE3 MET A 41 10.310 -9.067 4.911 1.00 1.68 H new ATOM 365 N ALA A 42 8.186 -7.290 -0.743 1.00 0.37 N ATOM 366 CA ALA A 42 6.749 -7.578 -0.768 1.00 0.39 C ATOM 367 C ALA A 42 6.388 -8.640 -1.805 1.00 0.42 C ATOM 368 O ALA A 42 5.453 -9.420 -1.609 1.00 0.49 O ATOM 369 CB ALA A 42 5.965 -6.306 -1.038 1.00 0.43 C ATOM 0 H ALA A 42 8.446 -6.406 -1.181 1.00 0.37 H new ATOM 0 HA ALA A 42 6.483 -7.974 0.212 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.899 -6.532 -1.054 1.00 0.43 H new ATOM 0 HB2 ALA A 42 6.170 -5.579 -0.252 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.263 -5.893 -2.002 1.00 0.43 H new ATOM 375 N GLU A 43 7.132 -8.665 -2.900 1.00 0.45 N ATOM 376 CA GLU A 43 6.886 -9.600 -3.989 1.00 0.59 C ATOM 377 C GLU A 43 7.039 -11.029 -3.473 1.00 0.63 C ATOM 378 O GLU A 43 6.195 -11.891 -3.723 1.00 0.75 O ATOM 379 CB GLU A 43 7.858 -9.326 -5.144 1.00 0.71 C ATOM 380 CG GLU A 43 7.433 -9.906 -6.487 1.00 0.87 C ATOM 381 CD GLU A 43 7.880 -11.336 -6.686 1.00 1.66 C ATOM 382 OE1 GLU A 43 7.038 -12.251 -6.576 1.00 2.36 O ATOM 383 OE2 GLU A 43 9.077 -11.551 -6.967 1.00 2.41 O ATOM 0 H GLU A 43 7.922 -8.040 -3.059 1.00 0.45 H new ATOM 0 HA GLU A 43 5.871 -9.470 -4.363 1.00 0.59 H new ATOM 0 HB2 GLU A 43 7.978 -8.248 -5.251 1.00 0.71 H new ATOM 0 HB3 GLU A 43 8.835 -9.731 -4.882 1.00 0.71 H new ATOM 0 HG2 GLU A 43 6.347 -9.857 -6.570 1.00 0.87 H new ATOM 0 HG3 GLU A 43 7.842 -9.290 -7.288 1.00 0.87 H new ATOM 390 N LYS A 44 8.103 -11.257 -2.708 1.00 0.60 N ATOM 391 CA LYS A 44 8.366 -12.567 -2.122 1.00 0.70 C ATOM 392 C LYS A 44 7.514 -12.799 -0.878 1.00 0.66 C ATOM 393 O LYS A 44 7.295 -13.940 -0.476 1.00 0.75 O ATOM 394 CB LYS A 44 9.851 -12.727 -1.778 1.00 0.81 C ATOM 395 CG LYS A 44 10.710 -13.215 -2.937 1.00 1.39 C ATOM 396 CD LYS A 44 10.762 -12.216 -4.082 1.00 2.35 C ATOM 397 CE LYS A 44 11.595 -12.744 -5.240 1.00 3.19 C ATOM 398 NZ LYS A 44 12.999 -13.025 -4.836 1.00 3.63 N ATOM 0 H LYS A 44 8.799 -10.548 -2.479 1.00 0.60 H new ATOM 0 HA LYS A 44 8.097 -13.316 -2.867 1.00 0.70 H new ATOM 0 HB2 LYS A 44 10.238 -11.769 -1.432 1.00 0.81 H new ATOM 0 HB3 LYS A 44 9.947 -13.428 -0.949 1.00 0.81 H new ATOM 0 HG2 LYS A 44 11.722 -13.407 -2.580 1.00 1.39 H new ATOM 0 HG3 LYS A 44 10.316 -14.163 -3.303 1.00 1.39 H new ATOM 0 HD2 LYS A 44 9.750 -12.002 -4.427 1.00 2.35 H new ATOM 0 HD3 LYS A 44 11.183 -11.275 -3.728 1.00 2.35 H new ATOM 0 HE2 LYS A 44 11.140 -13.656 -5.627 1.00 3.19 H new ATOM 0 HE3 LYS A 44 11.590 -12.016 -6.051 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 13.579 -13.186 -5.684 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 13.377 -12.213 -4.307 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 13.024 -13.873 -4.234 1.00 3.63 H new ATOM 412 N ALA A 45 7.022 -11.719 -0.283 1.00 0.57 N ATOM 413 CA ALA A 45 6.174 -11.815 0.904 1.00 0.59 C ATOM 414 C ALA A 45 4.755 -12.232 0.531 1.00 0.59 C ATOM 415 O ALA A 45 3.878 -12.338 1.390 1.00 0.66 O ATOM 416 CB ALA A 45 6.151 -10.492 1.655 1.00 0.56 C ATOM 0 H ALA A 45 7.194 -10.765 -0.601 1.00 0.57 H new ATOM 0 HA ALA A 45 6.597 -12.580 1.555 1.00 0.59 H new ATOM 0 HB1 ALA A 45 5.514 -10.584 2.535 1.00 0.56 H new ATOM 0 HB2 ALA A 45 7.163 -10.232 1.965 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.759 -9.711 1.004 1.00 0.56 H new ATOM 422 N ASN A 46 4.551 -12.463 -0.765 1.00 0.56 N ATOM 423 CA ASN A 46 3.258 -12.876 -1.308 1.00 0.60 C ATOM 424 C ASN A 46 2.215 -11.796 -1.089 1.00 0.54 C ATOM 425 O ASN A 46 1.032 -12.079 -0.890 1.00 0.63 O ATOM 426 CB ASN A 46 2.786 -14.206 -0.708 1.00 0.76 C ATOM 427 CG ASN A 46 3.721 -15.355 -1.025 1.00 1.41 C ATOM 428 OD1 ASN A 46 3.633 -15.966 -2.088 1.00 2.03 O ATOM 429 ND2 ASN A 46 4.611 -15.671 -0.097 1.00 2.18 N ATOM 0 H ASN A 46 5.281 -12.369 -1.471 1.00 0.56 H new ATOM 0 HA ASN A 46 3.389 -13.026 -2.380 1.00 0.60 H new ATOM 0 HB2 ASN A 46 2.699 -14.101 0.373 1.00 0.76 H new ATOM 0 HB3 ASN A 46 1.791 -14.438 -1.087 1.00 0.76 H new ATOM 0 HD21 ASN A 46 5.256 -16.446 -0.251 1.00 2.18 H new ATOM 0 HD22 ASN A 46 4.652 -15.139 0.772 1.00 2.18 H new ATOM 436 N LEU A 47 2.662 -10.555 -1.126 1.00 0.44 N ATOM 437 CA LEU A 47 1.767 -9.421 -1.025 1.00 0.42 C ATOM 438 C LEU A 47 1.440 -8.916 -2.420 1.00 0.41 C ATOM 439 O LEU A 47 2.310 -8.895 -3.296 1.00 0.58 O ATOM 440 CB LEU A 47 2.411 -8.304 -0.201 1.00 0.43 C ATOM 441 CG LEU A 47 2.775 -8.673 1.240 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.478 -7.509 1.922 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.536 -9.072 2.027 1.00 0.59 C ATOM 0 H LEU A 47 3.646 -10.307 -1.226 1.00 0.44 H new ATOM 0 HA LEU A 47 0.850 -9.732 -0.525 1.00 0.42 H new ATOM 0 HB2 LEU A 47 3.315 -7.974 -0.713 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.729 -7.454 -0.179 1.00 0.43 H new ATOM 0 HG LEU A 47 3.452 -9.527 1.212 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.731 -7.786 2.946 1.00 0.47 H new ATOM 0 HD12 LEU A 47 4.390 -7.264 1.377 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.818 -6.641 1.933 1.00 0.47 H new ATOM 0 HD21 LEU A 47 1.820 -9.330 3.047 1.00 0.59 H new ATOM 0 HD22 LEU A 47 0.833 -8.239 2.046 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.066 -9.933 1.553 1.00 0.59 H new ATOM 455 N ILE A 48 0.193 -8.531 -2.634 1.00 0.30 N ATOM 456 CA ILE A 48 -0.217 -8.011 -3.926 1.00 0.32 C ATOM 457 C ILE A 48 0.223 -6.559 -4.061 1.00 0.32 C ATOM 458 O ILE A 48 -0.477 -5.635 -3.643 1.00 0.33 O ATOM 459 CB ILE A 48 -1.742 -8.136 -4.136 1.00 0.36 C ATOM 460 CG1 ILE A 48 -2.167 -9.602 -3.997 1.00 0.40 C ATOM 461 CG2 ILE A 48 -2.141 -7.589 -5.503 1.00 0.43 C ATOM 462 CD1 ILE A 48 -3.649 -9.837 -4.185 1.00 0.53 C ATOM 0 H ILE A 48 -0.548 -8.568 -1.934 1.00 0.30 H new ATOM 0 HA ILE A 48 0.266 -8.608 -4.699 1.00 0.32 H new ATOM 0 HB ILE A 48 -2.253 -7.547 -3.374 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -1.620 -10.198 -4.728 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.876 -9.961 -3.010 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -3.219 -7.686 -5.633 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.860 -6.538 -5.570 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -1.630 -8.152 -6.284 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.866 -10.899 -4.071 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -4.205 -9.270 -3.438 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.945 -9.511 -5.182 1.00 0.53 H new ATOM 474 N LEU A 49 1.410 -6.379 -4.618 1.00 0.34 N ATOM 475 CA LEU A 49 2.010 -5.063 -4.755 1.00 0.35 C ATOM 476 C LEU A 49 1.616 -4.418 -6.075 1.00 0.35 C ATOM 477 O LEU A 49 1.654 -5.058 -7.130 1.00 0.44 O ATOM 478 CB LEU A 49 3.537 -5.173 -4.655 1.00 0.44 C ATOM 479 CG LEU A 49 4.317 -3.869 -4.864 1.00 0.58 C ATOM 480 CD1 LEU A 49 4.013 -2.861 -3.769 1.00 0.90 C ATOM 481 CD2 LEU A 49 5.806 -4.154 -4.914 1.00 1.14 C ATOM 0 H LEU A 49 1.982 -7.139 -4.986 1.00 0.34 H new ATOM 0 HA LEU A 49 1.641 -4.431 -3.947 1.00 0.35 H new ATOM 0 HB2 LEU A 49 3.790 -5.572 -3.672 1.00 0.44 H new ATOM 0 HB3 LEU A 49 3.879 -5.900 -5.392 1.00 0.44 H new ATOM 0 HG LEU A 49 4.002 -3.437 -5.814 1.00 0.58 H new ATOM 0 HD11 LEU A 49 4.582 -1.948 -3.947 1.00 0.90 H new ATOM 0 HD12 LEU A 49 2.948 -2.631 -3.772 1.00 0.90 H new ATOM 0 HD13 LEU A 49 4.291 -3.279 -2.802 1.00 0.90 H new ATOM 0 HD21 LEU A 49 6.350 -3.221 -5.063 1.00 1.14 H new ATOM 0 HD22 LEU A 49 6.120 -4.612 -3.976 1.00 1.14 H new ATOM 0 HD23 LEU A 49 6.019 -4.834 -5.739 1.00 1.14 H new ATOM 493 N ILE A 50 1.219 -3.158 -6.006 1.00 0.33 N ATOM 494 CA ILE A 50 0.916 -2.387 -7.197 1.00 0.34 C ATOM 495 C ILE A 50 1.782 -1.132 -7.230 1.00 0.32 C ATOM 496 O ILE A 50 1.501 -0.147 -6.545 1.00 0.36 O ATOM 497 CB ILE A 50 -0.574 -1.987 -7.267 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.471 -3.197 -6.978 1.00 0.48 C ATOM 499 CG2 ILE A 50 -0.891 -1.415 -8.643 1.00 0.46 C ATOM 500 CD1 ILE A 50 -2.949 -2.864 -6.927 1.00 0.94 C ATOM 0 H ILE A 50 1.099 -2.646 -5.132 1.00 0.33 H new ATOM 0 HA ILE A 50 1.131 -3.017 -8.060 1.00 0.34 H new ATOM 0 HB ILE A 50 -0.768 -1.227 -6.510 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -1.305 -3.953 -7.746 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -1.174 -3.639 -6.027 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -1.943 -1.135 -8.687 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.273 -0.535 -8.822 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.684 -2.166 -9.406 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -3.519 -3.769 -6.718 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -3.130 -2.132 -6.140 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -3.262 -2.451 -7.886 1.00 0.94 H new ATOM 512 N THR A 51 2.850 -1.190 -8.007 1.00 0.32 N ATOM 513 CA THR A 51 3.772 -0.075 -8.129 1.00 0.35 C ATOM 514 C THR A 51 3.244 0.965 -9.114 1.00 0.38 C ATOM 515 O THR A 51 3.108 0.695 -10.308 1.00 0.55 O ATOM 516 CB THR A 51 5.160 -0.570 -8.577 1.00 0.47 C ATOM 517 OG1 THR A 51 5.019 -1.548 -9.617 1.00 1.17 O ATOM 518 CG2 THR A 51 5.924 -1.175 -7.410 1.00 0.89 C ATOM 0 H THR A 51 3.101 -2.005 -8.567 1.00 0.32 H new ATOM 0 HA THR A 51 3.864 0.394 -7.149 1.00 0.35 H new ATOM 0 HB THR A 51 5.721 0.286 -8.953 1.00 0.47 H new ATOM 0 HG1 THR A 51 4.364 -1.234 -10.275 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.901 -1.517 -7.753 1.00 0.89 H new ATOM 0 HG22 THR A 51 6.055 -0.423 -6.632 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.365 -2.020 -7.008 1.00 0.89 H new ATOM 526 N VAL A 52 2.932 2.147 -8.607 1.00 0.39 N ATOM 527 CA VAL A 52 2.376 3.208 -9.431 1.00 0.49 C ATOM 528 C VAL A 52 3.226 4.470 -9.342 1.00 0.58 C ATOM 529 O VAL A 52 4.068 4.598 -8.452 1.00 0.80 O ATOM 530 CB VAL A 52 0.930 3.542 -9.010 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.035 2.459 -9.466 1.00 1.38 C ATOM 532 CG2 VAL A 52 0.850 3.712 -7.503 1.00 1.04 C ATOM 0 H VAL A 52 3.055 2.396 -7.626 1.00 0.39 H new ATOM 0 HA VAL A 52 2.373 2.847 -10.460 1.00 0.49 H new ATOM 0 HB VAL A 52 0.644 4.478 -9.490 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.047 2.720 -9.156 1.00 1.38 H new ATOM 0 HG12 VAL A 52 0.001 2.373 -10.552 1.00 1.38 H new ATOM 0 HG13 VAL A 52 0.248 1.507 -9.017 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -0.175 3.948 -7.217 1.00 1.04 H new ATOM 0 HG22 VAL A 52 1.159 2.787 -7.016 1.00 1.04 H new ATOM 0 HG23 VAL A 52 1.509 4.523 -7.193 1.00 1.04 H new ATOM 542 N GLY A 53 3.017 5.392 -10.271 1.00 0.66 N ATOM 543 CA GLY A 53 3.722 6.654 -10.227 1.00 0.75 C ATOM 544 C GLY A 53 2.843 7.816 -10.626 1.00 0.81 C ATOM 545 O GLY A 53 2.681 8.077 -11.816 1.00 1.24 O ATOM 0 H GLY A 53 2.372 5.287 -11.054 1.00 0.66 H new ATOM 0 HA2 GLY A 53 4.104 6.819 -9.220 1.00 0.75 H new ATOM 0 HA3 GLY A 53 4.585 6.609 -10.892 1.00 0.75 H new ATOM 549 N ASP A 54 2.303 8.493 -9.597 1.00 0.71 N ATOM 550 CA ASP A 54 1.415 9.671 -9.703 1.00 0.82 C ATOM 551 C ASP A 54 0.251 9.500 -8.738 1.00 0.70 C ATOM 552 O ASP A 54 -0.154 8.368 -8.466 1.00 0.64 O ATOM 553 CB ASP A 54 0.854 9.902 -11.113 1.00 1.08 C ATOM 554 CG ASP A 54 0.165 11.239 -11.258 1.00 1.34 C ATOM 555 OD1 ASP A 54 0.866 12.248 -11.470 1.00 1.75 O ATOM 556 OD2 ASP A 54 -1.079 11.287 -11.175 1.00 1.98 O ATOM 0 H ASP A 54 2.479 8.226 -8.628 1.00 0.71 H new ATOM 0 HA ASP A 54 2.024 10.542 -9.459 1.00 0.82 H new ATOM 0 HB2 ASP A 54 1.666 9.837 -11.837 1.00 1.08 H new ATOM 0 HB3 ASP A 54 0.148 9.107 -11.353 1.00 1.08 H new ATOM 561 N GLU A 55 -0.291 10.594 -8.225 1.00 0.80 N ATOM 562 CA GLU A 55 -1.350 10.509 -7.234 1.00 0.79 C ATOM 563 C GLU A 55 -2.578 9.814 -7.816 1.00 0.69 C ATOM 564 O GLU A 55 -3.176 8.944 -7.178 1.00 0.71 O ATOM 565 CB GLU A 55 -1.722 11.899 -6.724 1.00 0.95 C ATOM 566 CG GLU A 55 -2.214 11.888 -5.291 1.00 0.90 C ATOM 567 CD GLU A 55 -2.657 13.252 -4.810 1.00 1.53 C ATOM 568 OE1 GLU A 55 -3.785 13.668 -5.150 1.00 2.16 O ATOM 569 OE2 GLU A 55 -1.885 13.915 -4.081 1.00 2.21 O ATOM 0 H GLU A 55 -0.017 11.544 -8.477 1.00 0.80 H new ATOM 0 HA GLU A 55 -0.983 9.918 -6.395 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -0.853 12.553 -6.800 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -2.496 12.321 -7.365 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -3.046 11.190 -5.203 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -1.419 11.520 -4.642 1.00 0.90 H new ATOM 576 N GLU A 56 -2.927 10.171 -9.047 1.00 0.70 N ATOM 577 CA GLU A 56 -4.091 9.592 -9.701 1.00 0.70 C ATOM 578 C GLU A 56 -3.843 8.132 -10.060 1.00 0.66 C ATOM 579 O GLU A 56 -4.771 7.326 -10.073 1.00 0.67 O ATOM 580 CB GLU A 56 -4.460 10.394 -10.947 1.00 0.82 C ATOM 581 CG GLU A 56 -4.886 11.818 -10.639 1.00 0.93 C ATOM 582 CD GLU A 56 -5.307 12.576 -11.876 1.00 1.33 C ATOM 583 OE1 GLU A 56 -6.461 12.400 -12.321 1.00 2.04 O ATOM 584 OE2 GLU A 56 -4.487 13.352 -12.413 1.00 1.89 O ATOM 0 H GLU A 56 -2.422 10.856 -9.609 1.00 0.70 H new ATOM 0 HA GLU A 56 -4.927 9.633 -9.003 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -3.605 10.416 -11.623 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -5.269 9.885 -11.472 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -5.712 11.801 -9.928 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -4.062 12.344 -10.157 1.00 0.93 H new ATOM 591 N GLU A 57 -2.587 7.792 -10.334 1.00 0.65 N ATOM 592 CA GLU A 57 -2.210 6.408 -10.603 1.00 0.65 C ATOM 593 C GLU A 57 -2.481 5.541 -9.377 1.00 0.55 C ATOM 594 O GLU A 57 -2.992 4.425 -9.491 1.00 0.52 O ATOM 595 CB GLU A 57 -0.733 6.320 -10.994 1.00 0.73 C ATOM 596 CG GLU A 57 -0.417 6.908 -12.362 1.00 1.11 C ATOM 597 CD GLU A 57 -0.864 6.018 -13.502 1.00 1.52 C ATOM 598 OE1 GLU A 57 -0.226 4.971 -13.723 1.00 2.13 O ATOM 599 OE2 GLU A 57 -1.847 6.365 -14.190 1.00 2.16 O ATOM 0 H GLU A 57 -1.813 8.455 -10.376 1.00 0.65 H new ATOM 0 HA GLU A 57 -2.811 6.041 -11.435 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -0.137 6.837 -10.242 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -0.426 5.274 -10.980 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -0.901 7.880 -12.455 1.00 1.11 H new ATOM 0 HG3 GLU A 57 0.657 7.078 -12.440 1.00 1.11 H new ATOM 606 N LEU A 58 -2.149 6.076 -8.203 1.00 0.52 N ATOM 607 CA LEU A 58 -2.435 5.405 -6.936 1.00 0.48 C ATOM 608 C LEU A 58 -3.924 5.237 -6.766 1.00 0.46 C ATOM 609 O LEU A 58 -4.400 4.188 -6.336 1.00 0.44 O ATOM 610 CB LEU A 58 -1.912 6.223 -5.755 1.00 0.52 C ATOM 611 CG LEU A 58 -1.938 5.507 -4.400 1.00 0.55 C ATOM 612 CD1 LEU A 58 -0.914 4.383 -4.361 1.00 0.83 C ATOM 613 CD2 LEU A 58 -1.691 6.491 -3.267 1.00 0.74 C ATOM 0 H LEU A 58 -1.680 6.976 -8.103 1.00 0.52 H new ATOM 0 HA LEU A 58 -1.940 4.434 -6.956 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -0.886 6.524 -5.969 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -2.503 7.136 -5.677 1.00 0.52 H new ATOM 0 HG LEU A 58 -2.928 5.071 -4.268 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -0.952 3.890 -3.390 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -1.139 3.659 -5.144 1.00 0.83 H new ATOM 0 HD13 LEU A 58 0.083 4.793 -4.521 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -1.714 5.962 -2.314 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -0.716 6.960 -3.399 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -2.466 7.257 -3.275 1.00 0.74 H new ATOM 625 N LYS A 59 -4.652 6.282 -7.129 1.00 0.52 N ATOM 626 CA LYS A 59 -6.084 6.328 -6.924 1.00 0.57 C ATOM 627 C LYS A 59 -6.777 5.194 -7.668 1.00 0.51 C ATOM 628 O LYS A 59 -7.860 4.745 -7.292 1.00 0.58 O ATOM 629 CB LYS A 59 -6.635 7.686 -7.365 1.00 0.69 C ATOM 630 CG LYS A 59 -8.009 8.008 -6.797 1.00 0.76 C ATOM 631 CD LYS A 59 -8.448 9.416 -7.174 1.00 0.97 C ATOM 632 CE LYS A 59 -8.807 9.524 -8.648 1.00 1.64 C ATOM 633 NZ LYS A 59 -10.030 8.745 -8.980 1.00 2.26 N ATOM 0 H LYS A 59 -4.265 7.116 -7.571 1.00 0.52 H new ATOM 0 HA LYS A 59 -6.286 6.199 -5.861 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -5.936 8.466 -7.063 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -6.688 7.709 -8.453 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -8.737 7.286 -7.169 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -7.988 7.910 -5.712 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -9.309 9.702 -6.569 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -7.648 10.120 -6.943 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -8.962 10.571 -8.908 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -7.973 9.166 -9.252 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -10.386 9.039 -9.912 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -9.801 7.731 -9.001 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -10.759 8.920 -8.260 1.00 2.26 H new ATOM 647 N LYS A 60 -6.132 4.735 -8.716 1.00 0.49 N ATOM 648 CA LYS A 60 -6.662 3.669 -9.537 1.00 0.48 C ATOM 649 C LYS A 60 -6.198 2.308 -9.035 1.00 0.41 C ATOM 650 O LYS A 60 -6.954 1.339 -9.066 1.00 0.41 O ATOM 651 CB LYS A 60 -6.237 3.914 -10.970 1.00 0.58 C ATOM 652 CG LYS A 60 -6.692 5.275 -11.453 1.00 0.72 C ATOM 653 CD LYS A 60 -6.019 5.666 -12.757 1.00 1.19 C ATOM 654 CE LYS A 60 -6.662 6.899 -13.375 1.00 1.91 C ATOM 655 NZ LYS A 60 -8.054 6.634 -13.831 1.00 2.35 N ATOM 0 H LYS A 60 -5.226 5.089 -9.024 1.00 0.49 H new ATOM 0 HA LYS A 60 -7.751 3.663 -9.481 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -5.152 3.842 -11.047 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -6.654 3.139 -11.613 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -7.773 5.269 -11.590 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -6.471 6.023 -10.692 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -4.961 5.859 -12.577 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -6.077 4.835 -13.460 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -6.668 7.709 -12.645 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -6.062 7.236 -14.220 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -8.352 7.382 -14.489 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -8.092 5.713 -14.313 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -8.692 6.622 -13.010 1.00 2.35 H new ATOM 669 N ALA A 61 -4.964 2.249 -8.542 1.00 0.40 N ATOM 670 CA ALA A 61 -4.432 1.025 -7.962 1.00 0.39 C ATOM 671 C ALA A 61 -5.259 0.630 -6.746 1.00 0.32 C ATOM 672 O ALA A 61 -5.561 -0.543 -6.536 1.00 0.34 O ATOM 673 CB ALA A 61 -2.969 1.214 -7.583 1.00 0.47 C ATOM 0 H ALA A 61 -4.315 3.036 -8.534 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.491 0.224 -8.699 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.583 0.291 -7.150 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.392 1.466 -8.473 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -2.883 2.020 -6.854 1.00 0.47 H new ATOM 679 N ILE A 62 -5.633 1.636 -5.962 1.00 0.31 N ATOM 680 CA ILE A 62 -6.499 1.441 -4.801 1.00 0.37 C ATOM 681 C ILE A 62 -7.833 0.822 -5.217 1.00 0.36 C ATOM 682 O ILE A 62 -8.305 -0.136 -4.605 1.00 0.38 O ATOM 683 CB ILE A 62 -6.763 2.783 -4.072 1.00 0.49 C ATOM 684 CG1 ILE A 62 -5.459 3.359 -3.516 1.00 0.45 C ATOM 685 CG2 ILE A 62 -7.776 2.601 -2.949 1.00 0.83 C ATOM 686 CD1 ILE A 62 -5.604 4.750 -2.942 1.00 0.53 C ATOM 0 H ILE A 62 -5.347 2.604 -6.111 1.00 0.31 H new ATOM 0 HA ILE A 62 -5.985 0.763 -4.120 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.175 3.484 -4.798 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -5.080 2.693 -2.741 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -4.713 3.380 -4.311 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -7.944 3.557 -2.453 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -8.716 2.236 -3.363 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -7.393 1.880 -2.227 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -4.639 5.092 -2.568 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -5.953 5.430 -3.719 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -6.325 4.733 -2.125 1.00 0.53 H new ATOM 698 N LYS A 63 -8.422 1.364 -6.277 1.00 0.37 N ATOM 699 CA LYS A 63 -9.729 0.914 -6.742 1.00 0.40 C ATOM 700 C LYS A 63 -9.669 -0.521 -7.263 1.00 0.35 C ATOM 701 O LYS A 63 -10.546 -1.333 -6.972 1.00 0.40 O ATOM 702 CB LYS A 63 -10.251 1.838 -7.844 1.00 0.49 C ATOM 703 CG LYS A 63 -11.673 1.516 -8.273 1.00 0.59 C ATOM 704 CD LYS A 63 -12.101 2.319 -9.490 1.00 1.21 C ATOM 705 CE LYS A 63 -11.313 1.922 -10.730 1.00 1.94 C ATOM 706 NZ LYS A 63 -11.864 2.549 -11.960 1.00 2.76 N ATOM 0 H LYS A 63 -8.014 2.117 -6.831 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.410 0.945 -5.891 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.209 2.870 -7.494 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.593 1.768 -8.710 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.751 0.452 -8.496 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -12.355 1.720 -7.447 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -13.165 2.167 -9.671 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -11.960 3.382 -9.293 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -10.271 2.217 -10.608 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -11.327 0.837 -10.838 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -11.300 2.254 -12.783 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -12.851 2.248 -12.091 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -11.827 3.584 -11.868 1.00 2.76 H new ATOM 720 N LYS A 64 -8.629 -0.827 -8.030 1.00 0.34 N ATOM 721 CA LYS A 64 -8.487 -2.148 -8.632 1.00 0.39 C ATOM 722 C LYS A 64 -8.201 -3.206 -7.573 1.00 0.35 C ATOM 723 O LYS A 64 -8.533 -4.377 -7.748 1.00 0.40 O ATOM 724 CB LYS A 64 -7.374 -2.139 -9.683 1.00 0.51 C ATOM 725 CG LYS A 64 -7.609 -1.134 -10.800 1.00 1.05 C ATOM 726 CD LYS A 64 -6.471 -1.124 -11.810 1.00 1.04 C ATOM 727 CE LYS A 64 -6.686 -2.124 -12.939 1.00 1.59 C ATOM 728 NZ LYS A 64 -6.743 -3.528 -12.459 1.00 2.11 N ATOM 0 H LYS A 64 -7.872 -0.179 -8.250 1.00 0.34 H new ATOM 0 HA LYS A 64 -9.430 -2.399 -9.118 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -6.425 -1.915 -9.195 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -7.283 -3.136 -10.114 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -8.543 -1.371 -11.309 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -7.723 -0.138 -10.373 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -6.370 -0.123 -12.230 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -5.535 -1.352 -11.300 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -7.613 -1.884 -13.459 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -5.879 -2.025 -13.665 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -6.517 -4.172 -13.243 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -6.053 -3.661 -11.692 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -7.699 -3.735 -12.105 1.00 2.11 H new ATOM 742 N ALA A 65 -7.587 -2.786 -6.472 1.00 0.30 N ATOM 743 CA ALA A 65 -7.312 -3.687 -5.361 1.00 0.30 C ATOM 744 C ALA A 65 -8.611 -4.146 -4.711 1.00 0.33 C ATOM 745 O ALA A 65 -8.716 -5.280 -4.240 1.00 0.38 O ATOM 746 CB ALA A 65 -6.412 -3.010 -4.338 1.00 0.31 C ATOM 0 H ALA A 65 -7.271 -1.827 -6.326 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.794 -4.564 -5.748 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -6.216 -3.697 -3.515 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.470 -2.732 -4.810 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.904 -2.116 -3.956 1.00 0.31 H new ATOM 752 N ASP A 66 -9.604 -3.262 -4.706 1.00 0.35 N ATOM 753 CA ASP A 66 -10.921 -3.581 -4.160 1.00 0.41 C ATOM 754 C ASP A 66 -11.547 -4.732 -4.936 1.00 0.40 C ATOM 755 O ASP A 66 -12.095 -5.664 -4.347 1.00 0.47 O ATOM 756 CB ASP A 66 -11.837 -2.352 -4.214 1.00 0.48 C ATOM 757 CG ASP A 66 -13.188 -2.593 -3.561 1.00 0.55 C ATOM 758 OD1 ASP A 66 -14.091 -3.153 -4.219 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.365 -2.200 -2.390 1.00 1.36 O ATOM 0 H ASP A 66 -9.522 -2.315 -5.075 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.800 -3.880 -3.119 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -11.344 -1.515 -3.719 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.988 -2.063 -5.254 1.00 0.48 H new ATOM 764 N ASP A 67 -11.429 -4.675 -6.260 1.00 0.36 N ATOM 765 CA ASP A 67 -11.961 -5.720 -7.134 1.00 0.38 C ATOM 766 C ASP A 67 -11.350 -7.076 -6.810 1.00 0.40 C ATOM 767 O ASP A 67 -12.027 -8.105 -6.872 1.00 0.48 O ATOM 768 CB ASP A 67 -11.705 -5.389 -8.608 1.00 0.42 C ATOM 769 CG ASP A 67 -12.750 -4.464 -9.196 1.00 0.95 C ATOM 770 OD1 ASP A 67 -12.507 -3.241 -9.261 1.00 1.66 O ATOM 771 OD2 ASP A 67 -13.820 -4.959 -9.604 1.00 1.68 O ATOM 0 H ASP A 67 -10.967 -3.912 -6.755 1.00 0.36 H new ATOM 0 HA ASP A 67 -13.036 -5.766 -6.959 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -10.722 -4.927 -8.706 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -11.681 -6.314 -9.184 1.00 0.42 H new ATOM 776 N ILE A 68 -10.070 -7.078 -6.466 1.00 0.37 N ATOM 777 CA ILE A 68 -9.376 -8.313 -6.138 1.00 0.41 C ATOM 778 C ILE A 68 -9.800 -8.803 -4.756 1.00 0.41 C ATOM 779 O ILE A 68 -9.987 -10.002 -4.537 1.00 0.47 O ATOM 780 CB ILE A 68 -7.847 -8.119 -6.166 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.413 -7.463 -7.480 1.00 0.46 C ATOM 782 CG2 ILE A 68 -7.138 -9.455 -5.978 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.938 -7.121 -7.532 1.00 0.51 C ATOM 0 H ILE A 68 -9.493 -6.239 -6.407 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.645 -9.056 -6.889 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.568 -7.460 -5.344 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.651 -8.133 -8.306 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -7.993 -6.553 -7.630 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -6.059 -9.301 -6.000 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.423 -9.886 -5.018 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.424 -10.135 -6.781 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.705 -6.660 -8.492 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.697 -6.426 -6.728 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.349 -8.031 -7.414 1.00 0.51 H new ATOM 795 N ALA A 69 -9.966 -7.860 -3.835 1.00 0.39 N ATOM 796 CA ALA A 69 -10.384 -8.172 -2.476 1.00 0.43 C ATOM 797 C ALA A 69 -11.774 -8.789 -2.463 1.00 0.47 C ATOM 798 O ALA A 69 -11.972 -9.877 -1.926 1.00 0.53 O ATOM 799 CB ALA A 69 -10.360 -6.918 -1.615 1.00 0.46 C ATOM 0 H ALA A 69 -9.816 -6.866 -4.009 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.683 -8.898 -2.064 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -10.675 -7.166 -0.601 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -9.349 -6.512 -1.592 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -11.039 -6.176 -2.034 1.00 0.46 H new ATOM 805 N LYS A 70 -12.724 -8.094 -3.078 1.00 0.52 N ATOM 806 CA LYS A 70 -14.118 -8.536 -3.120 1.00 0.65 C ATOM 807 C LYS A 70 -14.248 -9.893 -3.778 1.00 0.63 C ATOM 808 O LYS A 70 -15.141 -10.673 -3.445 1.00 0.72 O ATOM 809 CB LYS A 70 -14.961 -7.535 -3.905 1.00 0.87 C ATOM 810 CG LYS A 70 -14.956 -6.120 -3.341 1.00 1.09 C ATOM 811 CD LYS A 70 -15.885 -5.981 -2.149 1.00 1.14 C ATOM 812 CE LYS A 70 -15.742 -4.627 -1.472 1.00 1.14 C ATOM 813 NZ LYS A 70 -16.040 -3.495 -2.392 1.00 1.50 N ATOM 0 H LYS A 70 -12.554 -7.212 -3.560 1.00 0.52 H new ATOM 0 HA LYS A 70 -14.470 -8.605 -2.091 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -14.600 -7.503 -4.933 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -15.989 -7.894 -3.939 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -13.942 -5.851 -3.044 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -15.257 -5.418 -4.119 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -16.916 -6.117 -2.475 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -15.672 -6.771 -1.429 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -16.413 -4.580 -0.615 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -14.727 -4.522 -1.088 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -15.928 -2.595 -1.883 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -15.383 -3.521 -3.198 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -17.017 -3.577 -2.739 1.00 1.50 H new ATOM 827 N LYS A 71 -13.357 -10.159 -4.716 1.00 0.62 N ATOM 828 CA LYS A 71 -13.360 -11.413 -5.439 1.00 0.76 C ATOM 829 C LYS A 71 -13.292 -12.586 -4.471 1.00 0.83 C ATOM 830 O LYS A 71 -13.984 -13.589 -4.650 1.00 1.03 O ATOM 831 CB LYS A 71 -12.178 -11.454 -6.413 1.00 0.84 C ATOM 832 CG LYS A 71 -12.081 -12.737 -7.224 1.00 1.26 C ATOM 833 CD LYS A 71 -10.909 -12.697 -8.196 1.00 1.71 C ATOM 834 CE LYS A 71 -9.578 -12.558 -7.471 1.00 2.27 C ATOM 835 NZ LYS A 71 -8.433 -12.523 -8.415 1.00 2.71 N ATOM 0 H LYS A 71 -12.617 -9.515 -4.995 1.00 0.62 H new ATOM 0 HA LYS A 71 -14.288 -11.491 -6.006 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -12.257 -10.610 -7.098 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -11.254 -11.323 -5.850 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -11.967 -13.586 -6.550 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -13.008 -12.890 -7.777 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -10.903 -13.607 -8.796 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -11.037 -11.862 -8.885 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -9.584 -11.646 -6.874 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -9.453 -13.391 -6.780 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -7.546 -12.428 -7.881 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -8.412 -13.404 -8.968 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -8.538 -11.713 -9.059 1.00 2.71 H new ATOM 917 N ALA A 77 -10.420 -7.330 4.216 1.00 0.55 N ATOM 918 CA ALA A 77 -9.211 -7.172 3.430 1.00 0.44 C ATOM 919 C ALA A 77 -8.424 -5.977 3.937 1.00 0.37 C ATOM 920 O ALA A 77 -9.005 -5.031 4.474 1.00 0.42 O ATOM 921 CB ALA A 77 -9.549 -7.007 1.956 1.00 0.71 C ATOM 0 HA ALA A 77 -8.599 -8.068 3.536 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -8.629 -6.890 1.383 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -10.086 -7.888 1.605 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -10.175 -6.124 1.823 1.00 0.71 H new ATOM 927 N LYS A 78 -7.111 -6.016 3.787 1.00 0.35 N ATOM 928 CA LYS A 78 -6.269 -4.936 4.273 1.00 0.37 C ATOM 929 C LYS A 78 -5.213 -4.576 3.240 1.00 0.33 C ATOM 930 O LYS A 78 -4.642 -5.448 2.584 1.00 0.37 O ATOM 931 CB LYS A 78 -5.614 -5.311 5.606 1.00 0.50 C ATOM 932 CG LYS A 78 -6.622 -5.670 6.692 1.00 0.63 C ATOM 933 CD LYS A 78 -5.998 -5.687 8.078 1.00 0.89 C ATOM 934 CE LYS A 78 -4.835 -6.657 8.163 1.00 1.04 C ATOM 935 NZ LYS A 78 -4.312 -6.769 9.547 1.00 1.67 N ATOM 0 H LYS A 78 -6.607 -6.779 3.335 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.900 -4.063 4.440 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.943 -6.156 5.449 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -5.002 -4.477 5.949 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -7.442 -4.952 6.674 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -7.050 -6.649 6.477 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -5.654 -4.685 8.334 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -6.754 -5.962 8.813 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -5.154 -7.639 7.814 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -4.037 -6.327 7.498 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -3.518 -7.441 9.565 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -3.984 -5.837 9.871 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -5.067 -7.108 10.177 1.00 1.67 H new ATOM 949 N ILE A 79 -4.974 -3.285 3.092 1.00 0.29 N ATOM 950 CA ILE A 79 -4.026 -2.785 2.110 1.00 0.29 C ATOM 951 C ILE A 79 -2.975 -1.925 2.804 1.00 0.29 C ATOM 952 O ILE A 79 -3.283 -1.212 3.750 1.00 0.40 O ATOM 953 CB ILE A 79 -4.740 -1.939 1.023 1.00 0.31 C ATOM 954 CG1 ILE A 79 -5.899 -2.726 0.398 1.00 0.37 C ATOM 955 CG2 ILE A 79 -3.756 -1.490 -0.054 1.00 0.35 C ATOM 956 CD1 ILE A 79 -6.685 -1.942 -0.634 1.00 0.49 C ATOM 0 H ILE A 79 -5.428 -2.557 3.645 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.553 -3.641 1.629 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.147 -1.049 1.503 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.503 -3.628 -0.069 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.576 -3.047 1.189 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.282 -0.899 -0.804 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -2.971 -0.885 0.400 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.311 -2.365 -0.528 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.487 -2.565 -1.031 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.112 -1.054 -0.168 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.022 -1.643 -1.446 1.00 0.49 H new ATOM 968 N LEU A 80 -1.737 -2.019 2.360 1.00 0.23 N ATOM 969 CA LEU A 80 -0.678 -1.157 2.863 1.00 0.28 C ATOM 970 C LEU A 80 -0.333 -0.136 1.785 1.00 0.30 C ATOM 971 O LEU A 80 -0.069 -0.510 0.653 1.00 0.45 O ATOM 972 CB LEU A 80 0.562 -1.999 3.204 1.00 0.40 C ATOM 973 CG LEU A 80 1.475 -1.466 4.321 1.00 0.57 C ATOM 974 CD1 LEU A 80 2.722 -2.325 4.424 1.00 1.22 C ATOM 975 CD2 LEU A 80 1.862 -0.014 4.095 1.00 1.40 C ATOM 0 H LEU A 80 -1.436 -2.686 1.649 1.00 0.23 H new ATOM 0 HA LEU A 80 -1.010 -0.646 3.767 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.228 -2.998 3.486 1.00 0.40 H new ATOM 0 HB3 LEU A 80 1.160 -2.106 2.299 1.00 0.40 H new ATOM 0 HG LEU A 80 0.916 -1.516 5.256 1.00 0.57 H new ATOM 0 HD11 LEU A 80 3.364 -1.941 5.217 1.00 1.22 H new ATOM 0 HD12 LEU A 80 2.438 -3.352 4.652 1.00 1.22 H new ATOM 0 HD13 LEU A 80 3.261 -2.299 3.477 1.00 1.22 H new ATOM 0 HD21 LEU A 80 2.507 0.321 4.907 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.394 0.078 3.148 1.00 1.40 H new ATOM 0 HD23 LEU A 80 0.963 0.602 4.067 1.00 1.40 H new ATOM 987 N ILE A 81 -0.357 1.144 2.116 1.00 0.27 N ATOM 988 CA ILE A 81 0.035 2.166 1.154 1.00 0.27 C ATOM 989 C ILE A 81 1.276 2.904 1.637 1.00 0.27 C ATOM 990 O ILE A 81 1.216 3.676 2.593 1.00 0.33 O ATOM 991 CB ILE A 81 -1.095 3.189 0.880 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.314 2.494 0.267 1.00 0.28 C ATOM 993 CG2 ILE A 81 -0.599 4.291 -0.049 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.483 3.424 0.006 1.00 0.38 C ATOM 0 H ILE A 81 -0.639 1.499 3.030 1.00 0.27 H new ATOM 0 HA ILE A 81 0.249 1.648 0.219 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.390 3.635 1.830 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.019 2.025 -0.671 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.639 1.696 0.934 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.404 5.002 -0.232 1.00 0.34 H new ATOM 0 HG22 ILE A 81 0.242 4.807 0.415 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.279 3.853 -0.995 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.308 2.859 -0.428 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -3.806 3.874 0.944 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.177 4.208 -0.686 1.00 0.38 H new ATOM 1006 N LEU A 82 2.401 2.640 0.988 1.00 0.27 N ATOM 1007 CA LEU A 82 3.645 3.332 1.292 1.00 0.31 C ATOM 1008 C LEU A 82 3.831 4.507 0.348 1.00 0.34 C ATOM 1009 O LEU A 82 4.273 4.339 -0.781 1.00 0.59 O ATOM 1010 CB LEU A 82 4.838 2.382 1.160 1.00 0.43 C ATOM 1011 CG LEU A 82 4.886 1.246 2.178 1.00 0.76 C ATOM 1012 CD1 LEU A 82 6.021 0.295 1.855 1.00 1.61 C ATOM 1013 CD2 LEU A 82 5.050 1.799 3.582 1.00 1.08 C ATOM 0 H LEU A 82 2.477 1.947 0.243 1.00 0.27 H new ATOM 0 HA LEU A 82 3.592 3.693 2.319 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.828 1.950 0.159 1.00 0.43 H new ATOM 0 HB3 LEU A 82 5.756 2.964 1.247 1.00 0.43 H new ATOM 0 HG LEU A 82 3.945 0.698 2.127 1.00 0.76 H new ATOM 0 HD11 LEU A 82 6.042 -0.510 2.590 1.00 1.61 H new ATOM 0 HD12 LEU A 82 5.871 -0.126 0.861 1.00 1.61 H new ATOM 0 HD13 LEU A 82 6.967 0.835 1.882 1.00 1.61 H new ATOM 0 HD21 LEU A 82 5.082 0.976 4.296 1.00 1.08 H new ATOM 0 HD22 LEU A 82 5.977 2.369 3.643 1.00 1.08 H new ATOM 0 HD23 LEU A 82 4.208 2.450 3.817 1.00 1.08 H new ATOM 1025 N LEU A 83 3.499 5.693 0.807 1.00 0.35 N ATOM 1026 CA LEU A 83 3.613 6.880 -0.024 1.00 0.42 C ATOM 1027 C LEU A 83 4.504 7.913 0.640 1.00 0.44 C ATOM 1028 O LEU A 83 4.730 7.858 1.848 1.00 0.55 O ATOM 1029 CB LEU A 83 2.223 7.472 -0.320 1.00 0.45 C ATOM 1030 CG LEU A 83 1.212 7.475 0.842 1.00 0.49 C ATOM 1031 CD1 LEU A 83 1.674 8.376 1.971 1.00 1.17 C ATOM 1032 CD2 LEU A 83 -0.157 7.912 0.348 1.00 1.13 C ATOM 0 H LEU A 83 3.148 5.865 1.749 1.00 0.35 H new ATOM 0 HA LEU A 83 4.070 6.592 -0.971 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.356 8.500 -0.659 1.00 0.45 H new ATOM 0 HB3 LEU A 83 1.786 6.917 -1.150 1.00 0.45 H new ATOM 0 HG LEU A 83 1.143 6.458 1.229 1.00 0.49 H new ATOM 0 HD11 LEU A 83 0.939 8.357 2.776 1.00 1.17 H new ATOM 0 HD12 LEU A 83 2.634 8.024 2.348 1.00 1.17 H new ATOM 0 HD13 LEU A 83 1.781 9.396 1.602 1.00 1.17 H new ATOM 0 HD21 LEU A 83 -0.862 7.910 1.180 1.00 1.13 H new ATOM 0 HD22 LEU A 83 -0.090 8.917 -0.068 1.00 1.13 H new ATOM 0 HD23 LEU A 83 -0.503 7.223 -0.423 1.00 1.13 H new ATOM 1044 N GLU A 84 5.035 8.839 -0.138 1.00 0.43 N ATOM 1045 CA GLU A 84 5.717 9.964 0.458 1.00 0.45 C ATOM 1046 C GLU A 84 4.803 11.181 0.408 1.00 0.47 C ATOM 1047 O GLU A 84 4.643 11.828 -0.630 1.00 0.54 O ATOM 1048 CB GLU A 84 7.052 10.233 -0.250 1.00 0.55 C ATOM 1049 CG GLU A 84 6.940 10.423 -1.754 1.00 1.29 C ATOM 1050 CD GLU A 84 8.273 10.719 -2.405 1.00 1.47 C ATOM 1051 OE1 GLU A 84 8.785 9.852 -3.143 1.00 1.94 O ATOM 1052 OE2 GLU A 84 8.819 11.817 -2.179 1.00 2.04 O ATOM 0 H GLU A 84 5.007 8.834 -1.158 1.00 0.43 H new ATOM 0 HA GLU A 84 5.950 9.740 1.499 1.00 0.45 H new ATOM 0 HB2 GLU A 84 7.506 11.124 0.183 1.00 0.55 H new ATOM 0 HB3 GLU A 84 7.729 9.402 -0.051 1.00 0.55 H new ATOM 0 HG2 GLU A 84 6.514 9.524 -2.199 1.00 1.29 H new ATOM 0 HG3 GLU A 84 6.249 11.240 -1.963 1.00 1.29 H new ATOM 1059 N LYS A 85 4.198 11.469 1.544 1.00 0.45 N ATOM 1060 CA LYS A 85 3.291 12.594 1.687 1.00 0.56 C ATOM 1061 C LYS A 85 2.891 12.708 3.154 1.00 0.53 C ATOM 1062 O LYS A 85 2.786 11.688 3.840 1.00 0.53 O ATOM 1063 CB LYS A 85 2.047 12.384 0.806 1.00 0.74 C ATOM 1064 CG LYS A 85 1.212 13.640 0.597 1.00 1.00 C ATOM 1065 CD LYS A 85 0.030 13.380 -0.326 1.00 0.91 C ATOM 1066 CE LYS A 85 -0.743 14.659 -0.612 1.00 1.66 C ATOM 1067 NZ LYS A 85 -1.950 14.413 -1.448 1.00 2.02 N ATOM 0 H LYS A 85 4.322 10.927 2.399 1.00 0.45 H new ATOM 0 HA LYS A 85 3.781 13.513 1.367 1.00 0.56 H new ATOM 0 HB2 LYS A 85 2.363 12.006 -0.166 1.00 0.74 H new ATOM 0 HB3 LYS A 85 1.420 11.616 1.259 1.00 0.74 H new ATOM 0 HG2 LYS A 85 0.850 14.001 1.560 1.00 1.00 H new ATOM 0 HG3 LYS A 85 1.837 14.427 0.176 1.00 1.00 H new ATOM 0 HD2 LYS A 85 0.385 12.951 -1.263 1.00 0.91 H new ATOM 0 HD3 LYS A 85 -0.634 12.646 0.129 1.00 0.91 H new ATOM 0 HE2 LYS A 85 -1.043 15.118 0.330 1.00 1.66 H new ATOM 0 HE3 LYS A 85 -0.091 15.370 -1.119 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 -2.490 15.296 -1.546 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -1.659 14.079 -2.389 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 -2.546 13.692 -0.994 1.00 2.02 H new ATOM 1081 N PRO A 86 2.713 13.928 3.677 1.00 0.60 N ATOM 1082 CA PRO A 86 2.127 14.123 5.003 1.00 0.62 C ATOM 1083 C PRO A 86 0.675 13.656 5.023 1.00 0.61 C ATOM 1084 O PRO A 86 -0.152 14.152 4.255 1.00 0.68 O ATOM 1085 CB PRO A 86 2.211 15.637 5.227 1.00 0.74 C ATOM 1086 CG PRO A 86 3.207 16.125 4.231 1.00 0.85 C ATOM 1087 CD PRO A 86 3.096 15.202 3.053 1.00 0.74 C ATOM 0 HA PRO A 86 2.642 13.555 5.778 1.00 0.62 H new ATOM 0 HB2 PRO A 86 1.241 16.111 5.079 1.00 0.74 H new ATOM 0 HB3 PRO A 86 2.526 15.868 6.245 1.00 0.74 H new ATOM 0 HG2 PRO A 86 2.998 17.155 3.942 1.00 0.85 H new ATOM 0 HG3 PRO A 86 4.215 16.109 4.646 1.00 0.85 H new ATOM 0 HD2 PRO A 86 2.347 15.545 2.339 1.00 0.74 H new ATOM 0 HD3 PRO A 86 4.039 15.121 2.512 1.00 0.74 H new ATOM 1095 N VAL A 87 0.372 12.686 5.874 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.969 12.123 5.926 1.00 0.62 C ATOM 1097 C VAL A 87 -1.558 12.200 7.330 1.00 0.62 C ATOM 1098 O VAL A 87 -0.914 11.837 8.316 1.00 0.66 O ATOM 1099 CB VAL A 87 -1.006 10.657 5.429 1.00 0.69 C ATOM 1100 CG1 VAL A 87 -0.710 10.588 3.938 1.00 1.17 C ATOM 1101 CG2 VAL A 87 -0.027 9.786 6.205 1.00 0.88 C ATOM 0 H VAL A 87 1.032 12.275 6.534 1.00 0.59 H new ATOM 0 HA VAL A 87 -1.577 12.729 5.255 1.00 0.62 H new ATOM 0 HB VAL A 87 -2.011 10.273 5.603 1.00 0.69 H new ATOM 0 HG11 VAL A 87 -0.741 9.549 3.609 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -1.457 11.164 3.392 1.00 1.17 H new ATOM 0 HG13 VAL A 87 0.280 11.001 3.744 1.00 1.17 H new ATOM 0 HG21 VAL A 87 -0.076 8.763 5.833 1.00 0.88 H new ATOM 0 HG22 VAL A 87 0.984 10.171 6.075 1.00 0.88 H new ATOM 0 HG23 VAL A 87 -0.287 9.800 7.263 1.00 0.88 H new ATOM 1111 N SER A 88 -2.777 12.698 7.406 1.00 0.69 N ATOM 1112 CA SER A 88 -3.514 12.760 8.654 1.00 0.76 C ATOM 1113 C SER A 88 -4.514 11.604 8.725 1.00 0.72 C ATOM 1114 O SER A 88 -4.674 10.874 7.741 1.00 0.69 O ATOM 1115 CB SER A 88 -4.243 14.103 8.734 1.00 0.92 C ATOM 1116 OG SER A 88 -5.081 14.287 7.605 1.00 1.44 O ATOM 0 H SER A 88 -3.285 13.071 6.604 1.00 0.69 H new ATOM 0 HA SER A 88 -2.827 12.672 9.496 1.00 0.76 H new ATOM 0 HB2 SER A 88 -4.839 14.145 9.646 1.00 0.92 H new ATOM 0 HB3 SER A 88 -3.517 14.914 8.790 1.00 0.92 H new ATOM 0 HG SER A 88 -4.911 15.168 7.212 1.00 1.44 H new ATOM 1122 N PRO A 89 -5.196 11.396 9.869 1.00 0.78 N ATOM 1123 CA PRO A 89 -6.292 10.421 9.951 1.00 0.79 C ATOM 1124 C PRO A 89 -7.354 10.679 8.882 1.00 0.67 C ATOM 1125 O PRO A 89 -8.005 9.751 8.394 1.00 0.65 O ATOM 1126 CB PRO A 89 -6.870 10.650 11.348 1.00 0.98 C ATOM 1127 CG PRO A 89 -5.741 11.214 12.135 1.00 1.14 C ATOM 1128 CD PRO A 89 -4.943 12.048 11.171 1.00 0.92 C ATOM 0 HA PRO A 89 -5.952 9.399 9.786 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -7.715 11.338 11.319 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -7.231 9.719 11.785 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -6.107 11.819 12.965 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -5.129 10.421 12.564 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -5.271 13.088 11.171 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -3.882 12.048 11.422 1.00 0.92 H new ATOM 1136 N GLU A 90 -7.491 11.947 8.506 1.00 0.71 N ATOM 1137 CA GLU A 90 -8.447 12.361 7.486 1.00 0.72 C ATOM 1138 C GLU A 90 -7.995 11.885 6.107 1.00 0.64 C ATOM 1139 O GLU A 90 -8.794 11.356 5.335 1.00 0.68 O ATOM 1140 CB GLU A 90 -8.613 13.881 7.502 1.00 0.87 C ATOM 1141 CG GLU A 90 -9.288 14.406 8.762 1.00 1.24 C ATOM 1142 CD GLU A 90 -9.331 15.917 8.812 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -8.428 16.520 9.428 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -10.266 16.511 8.233 1.00 2.37 O ATOM 0 H GLU A 90 -6.944 12.713 8.899 1.00 0.71 H new ATOM 0 HA GLU A 90 -9.412 11.905 7.707 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -7.632 14.347 7.404 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -9.198 14.184 6.633 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -10.304 14.015 8.815 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -8.757 14.032 9.637 1.00 1.24 H new ATOM 1151 N TYR A 91 -6.709 12.068 5.810 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.122 11.552 4.573 1.00 0.62 C ATOM 1153 C TYR A 91 -6.320 10.045 4.476 1.00 0.52 C ATOM 1154 O TYR A 91 -6.707 9.523 3.428 1.00 0.52 O ATOM 1155 CB TYR A 91 -4.626 11.868 4.511 1.00 0.72 C ATOM 1156 CG TYR A 91 -4.284 13.162 3.805 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -3.720 13.145 2.535 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -4.510 14.393 4.404 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -3.388 14.316 1.884 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -4.186 15.572 3.755 1.00 3.00 C ATOM 1161 CZ TYR A 91 -3.623 15.526 2.497 1.00 2.89 C ATOM 1162 OH TYR A 91 -3.286 16.697 1.853 1.00 3.78 O ATOM 0 H TYR A 91 -6.053 12.570 6.409 1.00 0.62 H new ATOM 0 HA TYR A 91 -6.626 12.037 3.737 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -4.234 11.910 5.527 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -4.115 11.048 4.006 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -3.538 12.198 2.048 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -4.945 14.432 5.392 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -2.946 14.283 0.899 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -4.373 16.523 4.231 1.00 3.00 H new ATOM 0 HH TYR A 91 -3.518 17.461 2.421 1.00 3.78 H new ATOM 1172 N GLU A 92 -6.050 9.357 5.580 1.00 0.48 N ATOM 1173 CA GLU A 92 -6.249 7.922 5.667 1.00 0.42 C ATOM 1174 C GLU A 92 -7.698 7.558 5.368 1.00 0.42 C ATOM 1175 O GLU A 92 -7.972 6.623 4.619 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.874 7.435 7.066 1.00 0.48 C ATOM 1177 CG GLU A 92 -6.093 5.949 7.265 1.00 0.49 C ATOM 1178 CD GLU A 92 -5.853 5.509 8.692 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -6.721 5.770 9.548 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -4.803 4.894 8.961 1.00 1.14 O ATOM 0 H GLU A 92 -5.688 9.780 6.435 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.611 7.438 4.927 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.826 7.669 7.255 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -6.461 7.983 7.803 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -7.113 5.695 6.978 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -5.428 5.396 6.602 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.613 8.319 5.951 1.00 0.47 N ATOM 1188 CA LYS A 93 -10.038 8.062 5.823 1.00 0.54 C ATOM 1189 C LYS A 93 -10.479 8.158 4.368 1.00 0.53 C ATOM 1190 O LYS A 93 -11.315 7.383 3.917 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.821 9.058 6.681 1.00 0.69 C ATOM 1192 CG LYS A 93 -12.292 8.718 6.835 1.00 1.51 C ATOM 1193 CD LYS A 93 -12.995 9.709 7.745 1.00 2.25 C ATOM 1194 CE LYS A 93 -14.407 9.260 8.084 1.00 2.80 C ATOM 1195 NZ LYS A 93 -14.415 7.968 8.822 1.00 3.25 N ATOM 0 H LYS A 93 -8.388 9.131 6.525 1.00 0.47 H new ATOM 0 HA LYS A 93 -10.242 7.049 6.171 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.365 9.107 7.670 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -10.732 10.051 6.239 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -12.771 8.716 5.856 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -12.394 7.712 7.242 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -12.421 9.829 8.664 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -13.030 10.685 7.261 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -14.897 10.025 8.686 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -14.986 9.158 7.166 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -15.320 7.860 9.323 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -14.296 7.183 8.150 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -13.635 7.956 9.510 1.00 3.25 H new ATOM 1209 N LYS A 94 -9.895 9.099 3.634 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.228 9.292 2.226 1.00 0.59 C ATOM 1211 C LYS A 94 -9.939 8.026 1.425 1.00 0.52 C ATOM 1212 O LYS A 94 -10.764 7.576 0.627 1.00 0.57 O ATOM 1213 CB LYS A 94 -9.429 10.460 1.637 1.00 0.67 C ATOM 1214 CG LYS A 94 -9.593 11.772 2.389 1.00 1.19 C ATOM 1215 CD LYS A 94 -11.040 12.232 2.420 1.00 1.48 C ATOM 1216 CE LYS A 94 -11.185 13.550 3.166 1.00 1.97 C ATOM 1217 NZ LYS A 94 -10.442 14.653 2.500 1.00 2.44 N ATOM 0 H LYS A 94 -9.188 9.741 3.991 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.292 9.519 2.163 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -8.373 10.192 1.623 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -9.734 10.608 0.601 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -9.228 11.653 3.409 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -8.979 12.539 1.918 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -11.410 12.346 1.401 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -11.656 11.471 2.899 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -12.240 13.814 3.234 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -10.820 13.431 4.186 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -10.751 15.566 2.891 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -9.422 14.533 2.664 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -10.633 14.632 1.478 1.00 2.44 H new ATOM 1231 N LEU A 95 -8.770 7.449 1.654 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.344 6.271 0.912 1.00 0.45 C ATOM 1233 C LEU A 95 -8.990 5.010 1.477 1.00 0.39 C ATOM 1234 O LEU A 95 -9.336 4.090 0.734 1.00 0.41 O ATOM 1235 CB LEU A 95 -6.817 6.149 0.950 1.00 0.46 C ATOM 1236 CG LEU A 95 -6.053 7.385 0.461 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -4.553 7.150 0.532 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -6.470 7.753 -0.957 1.00 1.12 C ATOM 0 H LEU A 95 -8.098 7.777 2.348 1.00 0.47 H new ATOM 0 HA LEU A 95 -8.665 6.382 -0.124 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.511 5.933 1.974 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.521 5.294 0.342 1.00 0.46 H new ATOM 0 HG LEU A 95 -6.302 8.219 1.117 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -4.028 8.039 0.181 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -4.266 6.943 1.563 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -4.288 6.300 -0.097 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -5.915 8.633 -1.283 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -6.256 6.920 -1.627 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -7.538 7.970 -0.977 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.166 4.986 2.793 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.742 3.833 3.474 1.00 0.40 C ATOM 1252 C GLN A 96 -11.230 3.708 3.164 1.00 0.45 C ATOM 1253 O GLN A 96 -11.788 2.615 3.189 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.528 3.950 4.988 1.00 0.53 C ATOM 1255 CG GLN A 96 -9.932 2.706 5.768 1.00 0.60 C ATOM 1256 CD GLN A 96 -9.724 2.845 7.265 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -8.735 3.630 7.663 1.00 1.79 O flip ATOM 1258 NE2 GLN A 96 -10.444 2.242 8.061 1.00 2.20 N flip ATOM 0 H GLN A 96 -8.916 5.757 3.413 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.239 2.936 3.112 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.476 4.162 5.181 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.098 4.801 5.361 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -10.982 2.487 5.572 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.356 1.855 5.405 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -11.197 1.646 7.717 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -10.288 2.339 9.064 1.00 2.20 H new ATOM 1267 N LYS A 97 -11.874 4.837 2.907 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.284 4.841 2.541 1.00 0.64 C ATOM 1269 C LYS A 97 -13.479 4.526 1.057 1.00 0.65 C ATOM 1270 O LYS A 97 -14.511 3.978 0.661 1.00 0.72 O ATOM 1271 CB LYS A 97 -13.919 6.190 2.879 1.00 0.78 C ATOM 1272 CG LYS A 97 -15.410 6.247 2.607 1.00 1.44 C ATOM 1273 CD LYS A 97 -16.002 7.578 3.028 1.00 1.95 C ATOM 1274 CE LYS A 97 -17.480 7.657 2.691 1.00 2.39 C ATOM 1275 NZ LYS A 97 -18.259 6.554 3.313 1.00 2.87 N ATOM 0 H LYS A 97 -11.444 5.761 2.945 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.777 4.059 3.119 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.742 6.411 3.931 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -13.423 6.970 2.301 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -15.593 6.086 1.545 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -15.910 5.440 3.143 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -15.864 7.717 4.100 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -15.470 8.389 2.530 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -17.877 8.615 3.028 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -17.606 7.623 1.609 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -19.276 6.749 3.214 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -18.030 5.657 2.839 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -18.016 6.484 4.322 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.495 4.880 0.235 1.00 0.63 N ATOM 1290 CA TYR A 98 -12.611 4.704 -1.210 1.00 0.68 C ATOM 1291 C TYR A 98 -12.680 3.224 -1.577 1.00 0.64 C ATOM 1292 O TYR A 98 -13.564 2.800 -2.322 1.00 0.73 O ATOM 1293 CB TYR A 98 -11.440 5.373 -1.933 1.00 0.71 C ATOM 1294 CG TYR A 98 -11.610 5.414 -3.437 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -12.773 5.921 -4.005 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -10.613 4.953 -4.285 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -12.937 5.964 -5.375 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -10.769 4.994 -5.657 1.00 2.50 C ATOM 1299 CZ TYR A 98 -11.934 5.500 -6.196 1.00 2.73 C ATOM 1300 OH TYR A 98 -12.094 5.545 -7.562 1.00 3.64 O ATOM 0 H TYR A 98 -11.612 5.289 0.542 1.00 0.63 H new ATOM 0 HA TYR A 98 -13.537 5.181 -1.530 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -11.325 6.390 -1.559 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -10.521 4.839 -1.693 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -13.561 6.287 -3.364 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -9.700 4.556 -3.866 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -13.847 6.360 -5.801 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -9.984 4.632 -6.304 1.00 2.50 H new ATOM 0 HH TYR A 98 -11.295 5.181 -7.997 1.00 3.64 H new ATOM 1310 N ALA A 99 -11.745 2.449 -1.056 1.00 0.56 N ATOM 1311 CA ALA A 99 -11.761 1.004 -1.226 1.00 0.56 C ATOM 1312 C ALA A 99 -12.294 0.373 0.043 1.00 0.52 C ATOM 1313 O ALA A 99 -12.095 0.920 1.125 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.359 0.492 -1.518 1.00 0.59 C ATOM 0 H ALA A 99 -10.959 2.798 -0.508 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.402 0.740 -2.067 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -10.386 -0.590 -1.643 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -9.986 0.954 -2.432 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -9.699 0.745 -0.688 1.00 0.59 H new ATOM 1320 N ASP A 100 -12.973 -0.757 -0.051 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.443 -1.388 1.165 1.00 0.53 C ATOM 1322 C ASP A 100 -12.369 -2.320 1.675 1.00 0.47 C ATOM 1323 O ASP A 100 -12.233 -3.461 1.223 1.00 0.51 O ATOM 1324 CB ASP A 100 -14.749 -2.148 0.933 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.886 -1.238 0.514 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -16.411 -1.419 -0.606 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -16.260 -0.334 1.296 1.00 1.73 O ATOM 0 H ASP A 100 -13.203 -1.239 -0.920 1.00 0.54 H new ATOM 0 HA ASP A 100 -13.649 -0.617 1.908 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -14.593 -2.905 0.165 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -15.027 -2.673 1.847 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.635 -1.814 2.645 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.514 -2.507 3.243 1.00 0.39 C ATOM 1334 C ALA A 101 -9.982 -1.668 4.378 1.00 0.37 C ATOM 1335 O ALA A 101 -10.235 -0.463 4.435 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.420 -2.753 2.210 1.00 0.43 C ATOM 0 H ALA A 101 -11.805 -0.892 3.047 1.00 0.42 H new ATOM 0 HA ALA A 101 -10.842 -3.476 3.618 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -8.587 -3.275 2.680 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -9.817 -3.361 1.397 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.073 -1.799 1.813 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.249 -2.280 5.273 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.566 -1.521 6.291 1.00 0.31 C ATOM 1344 C GLU A 102 -7.173 -1.179 5.792 1.00 0.29 C ATOM 1345 O GLU A 102 -6.227 -1.941 5.983 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.499 -2.301 7.597 1.00 0.41 C ATOM 1347 CG GLU A 102 -9.860 -2.696 8.137 1.00 0.76 C ATOM 1348 CD GLU A 102 -9.821 -3.008 9.615 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -9.554 -4.171 9.981 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -10.059 -2.086 10.420 1.00 1.77 O ATOM 0 H GLU A 102 -9.110 -3.289 5.319 1.00 0.31 H new ATOM 0 HA GLU A 102 -9.117 -0.602 6.491 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.903 -3.201 7.443 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -7.981 -1.699 8.344 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -10.569 -1.888 7.957 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -10.225 -3.567 7.593 1.00 0.76 H new ATOM 1357 N VAL A 103 -7.061 -0.046 5.113 1.00 0.27 N ATOM 1358 CA VAL A 103 -5.795 0.340 4.520 1.00 0.32 C ATOM 1359 C VAL A 103 -4.915 1.042 5.541 1.00 0.32 C ATOM 1360 O VAL A 103 -5.357 1.934 6.272 1.00 0.38 O ATOM 1361 CB VAL A 103 -5.973 1.228 3.259 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.475 2.617 3.607 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -4.668 1.330 2.491 1.00 1.05 C ATOM 0 H VAL A 103 -7.824 0.614 4.962 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.306 -0.579 4.198 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.725 0.748 2.633 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.585 3.203 2.695 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -7.440 2.540 4.107 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -5.761 3.107 4.269 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -4.812 1.956 1.610 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -3.904 1.772 3.130 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.350 0.335 2.180 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.679 0.603 5.607 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.699 1.197 6.482 1.00 0.37 C ATOM 1375 C ARG A 104 -1.828 2.137 5.666 1.00 0.33 C ATOM 1376 O ARG A 104 -0.911 1.701 4.967 1.00 0.38 O ATOM 1377 CB ARG A 104 -1.855 0.095 7.128 1.00 0.46 C ATOM 1378 CG ARG A 104 -0.952 0.573 8.252 1.00 1.23 C ATOM 1379 CD ARG A 104 -0.208 -0.590 8.891 1.00 1.26 C ATOM 1380 NE ARG A 104 -1.124 -1.619 9.384 1.00 1.50 N ATOM 1381 CZ ARG A 104 -0.735 -2.786 9.900 1.00 1.82 C ATOM 1382 NH1 ARG A 104 0.556 -3.064 10.035 1.00 1.78 N ATOM 1383 NH2 ARG A 104 -1.642 -3.673 10.284 1.00 2.71 N ATOM 0 H ARG A 104 -3.326 -0.178 5.054 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.188 1.761 7.276 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -2.521 -0.675 7.516 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -1.241 -0.373 6.359 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -0.236 1.297 7.864 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -1.547 1.086 9.007 1.00 1.23 H new ATOM 0 HD2 ARG A 104 0.473 -1.029 8.162 1.00 1.26 H new ATOM 0 HD3 ARG A 104 0.402 -0.222 9.716 1.00 1.26 H new ATOM 0 HE ARG A 104 -2.125 -1.432 9.330 1.00 1.50 H new ATOM 0 HH11 ARG A 104 1.257 -2.383 9.743 1.00 1.78 H new ATOM 0 HH12 ARG A 104 0.846 -3.958 10.430 1.00 1.78 H new ATOM 0 HH21 ARG A 104 -2.635 -3.463 10.185 1.00 2.71 H new ATOM 0 HH22 ARG A 104 -1.347 -4.566 10.679 1.00 2.71 H new ATOM 1397 N VAL A 105 -2.131 3.424 5.728 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.384 4.396 4.955 1.00 0.31 C ATOM 1399 C VAL A 105 -0.138 4.827 5.729 1.00 0.31 C ATOM 1400 O VAL A 105 -0.228 5.377 6.826 1.00 0.41 O ATOM 1401 CB VAL A 105 -2.235 5.629 4.559 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.428 5.203 3.719 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.699 6.413 5.776 1.00 0.71 C ATOM 0 H VAL A 105 -2.881 3.814 6.299 1.00 0.31 H new ATOM 0 HA VAL A 105 -1.088 3.913 4.024 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.599 6.288 3.967 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -4.015 6.081 3.449 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -3.077 4.709 2.813 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -4.048 4.513 4.291 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -3.292 7.269 5.453 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -3.306 5.770 6.413 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.832 6.763 6.336 1.00 0.71 H new ATOM 1413 N ARG A 106 1.027 4.534 5.184 1.00 0.31 N ATOM 1414 CA ARG A 106 2.279 4.847 5.855 1.00 0.35 C ATOM 1415 C ARG A 106 3.112 5.794 5.008 1.00 0.29 C ATOM 1416 O ARG A 106 3.204 5.632 3.789 1.00 0.31 O ATOM 1417 CB ARG A 106 3.072 3.566 6.144 1.00 0.46 C ATOM 1418 CG ARG A 106 2.438 2.634 7.174 1.00 0.79 C ATOM 1419 CD ARG A 106 2.391 3.250 8.569 1.00 0.87 C ATOM 1420 NE ARG A 106 1.360 4.280 8.689 1.00 1.30 N ATOM 1421 CZ ARG A 106 1.139 5.004 9.786 1.00 1.70 C ATOM 1422 NH1 ARG A 106 1.867 4.814 10.880 1.00 1.88 N ATOM 1423 NH2 ARG A 106 0.178 5.916 9.782 1.00 2.63 N ATOM 0 H ARG A 106 1.135 4.079 4.277 1.00 0.31 H new ATOM 0 HA ARG A 106 2.046 5.334 6.802 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.201 3.018 5.211 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.067 3.843 6.491 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.426 2.383 6.857 1.00 0.79 H new ATOM 0 HG3 ARG A 106 3.001 1.702 7.211 1.00 0.79 H new ATOM 0 HD2 ARG A 106 2.205 2.466 9.303 1.00 0.87 H new ATOM 0 HD3 ARG A 106 3.363 3.683 8.805 1.00 0.87 H new ATOM 0 HE ARG A 106 0.769 4.457 7.877 1.00 1.30 H new ATOM 0 HH11 ARG A 106 2.604 4.109 10.886 1.00 1.88 H new ATOM 0 HH12 ARG A 106 1.690 5.374 11.714 1.00 1.88 H new ATOM 0 HH21 ARG A 106 -0.386 6.059 8.944 1.00 2.63 H new ATOM 0 HH22 ARG A 106 0.002 6.475 10.617 1.00 2.63 H new ATOM 1437 N THR A 107 3.707 6.785 5.650 1.00 0.34 N ATOM 1438 CA THR A 107 4.550 7.733 4.951 1.00 0.36 C ATOM 1439 C THR A 107 5.995 7.233 4.956 1.00 0.40 C ATOM 1440 O THR A 107 6.508 6.781 5.983 1.00 0.56 O ATOM 1441 CB THR A 107 4.441 9.151 5.570 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.067 10.121 4.721 1.00 0.56 O ATOM 1443 CG2 THR A 107 5.065 9.215 6.959 1.00 0.64 C ATOM 0 H THR A 107 3.621 6.952 6.653 1.00 0.34 H new ATOM 0 HA THR A 107 4.209 7.811 3.919 1.00 0.36 H new ATOM 0 HB THR A 107 3.379 9.377 5.663 1.00 0.50 H new ATOM 0 HG1 THR A 107 4.392 10.750 4.391 1.00 0.56 H new ATOM 0 HG21 THR A 107 4.967 10.225 7.356 1.00 0.64 H new ATOM 0 HG22 THR A 107 4.554 8.514 7.620 1.00 0.64 H new ATOM 0 HG23 THR A 107 6.121 8.951 6.896 1.00 0.64 H new ATOM 1451 N VAL A 108 6.635 7.272 3.799 1.00 0.44 N ATOM 1452 CA VAL A 108 7.982 6.744 3.661 1.00 0.60 C ATOM 1453 C VAL A 108 8.924 7.788 3.066 1.00 0.68 C ATOM 1454 O VAL A 108 8.508 8.634 2.274 1.00 0.86 O ATOM 1455 CB VAL A 108 7.989 5.462 2.790 1.00 0.71 C ATOM 1456 CG1 VAL A 108 7.478 5.747 1.384 1.00 1.34 C ATOM 1457 CG2 VAL A 108 9.375 4.840 2.741 1.00 0.97 C ATOM 0 H VAL A 108 6.244 7.664 2.942 1.00 0.44 H new ATOM 0 HA VAL A 108 8.338 6.488 4.659 1.00 0.60 H new ATOM 0 HB VAL A 108 7.312 4.746 3.256 1.00 0.71 H new ATOM 0 HG11 VAL A 108 7.495 4.828 0.798 1.00 1.34 H new ATOM 0 HG12 VAL A 108 6.457 6.124 1.438 1.00 1.34 H new ATOM 0 HG13 VAL A 108 8.116 6.492 0.909 1.00 1.34 H new ATOM 0 HG21 VAL A 108 9.349 3.942 2.123 1.00 0.97 H new ATOM 0 HG22 VAL A 108 10.079 5.554 2.315 1.00 0.97 H new ATOM 0 HG23 VAL A 108 9.692 4.577 3.750 1.00 0.97 H new ATOM 1467 N THR A 109 10.182 7.753 3.490 1.00 0.68 N ATOM 1468 CA THR A 109 11.207 8.627 2.941 1.00 0.78 C ATOM 1469 C THR A 109 12.466 7.843 2.570 1.00 0.71 C ATOM 1470 O THR A 109 13.307 8.321 1.809 1.00 0.88 O ATOM 1471 CB THR A 109 11.576 9.745 3.936 1.00 0.96 C ATOM 1472 OG1 THR A 109 11.770 9.189 5.242 1.00 1.22 O ATOM 1473 CG2 THR A 109 10.494 10.813 3.989 1.00 1.11 C ATOM 0 H THR A 109 10.517 7.122 4.219 1.00 0.68 H new ATOM 0 HA THR A 109 10.793 9.076 2.038 1.00 0.78 H new ATOM 0 HB THR A 109 12.500 10.211 3.595 1.00 0.96 H new ATOM 0 HG1 THR A 109 12.006 9.903 5.870 1.00 1.22 H new ATOM 0 HG21 THR A 109 10.782 11.588 4.699 1.00 1.11 H new ATOM 0 HG22 THR A 109 10.370 11.255 3.000 1.00 1.11 H new ATOM 0 HG23 THR A 109 9.553 10.363 4.306 1.00 1.11 H new ATOM 1481 N SER A 110 12.595 6.632 3.106 1.00 0.59 N ATOM 1482 CA SER A 110 13.768 5.806 2.844 1.00 0.54 C ATOM 1483 C SER A 110 13.380 4.343 2.613 1.00 0.49 C ATOM 1484 O SER A 110 12.485 3.805 3.269 1.00 0.51 O ATOM 1485 CB SER A 110 14.762 5.920 4.004 1.00 0.62 C ATOM 1486 OG SER A 110 14.097 5.900 5.256 1.00 0.93 O ATOM 0 H SER A 110 11.904 6.203 3.722 1.00 0.59 H new ATOM 0 HA SER A 110 14.242 6.171 1.933 1.00 0.54 H new ATOM 0 HB2 SER A 110 15.476 5.098 3.956 1.00 0.62 H new ATOM 0 HB3 SER A 110 15.332 6.844 3.907 1.00 0.62 H new ATOM 0 HG SER A 110 14.756 5.973 5.978 1.00 0.93 H new ATOM 1492 N PRO A 111 14.068 3.703 1.640 1.00 0.49 N ATOM 1493 CA PRO A 111 13.822 2.309 1.222 1.00 0.49 C ATOM 1494 C PRO A 111 13.774 1.315 2.375 1.00 0.45 C ATOM 1495 O PRO A 111 12.998 0.357 2.348 1.00 0.50 O ATOM 1496 CB PRO A 111 15.028 1.998 0.336 1.00 0.58 C ATOM 1497 CG PRO A 111 15.425 3.309 -0.233 1.00 0.60 C ATOM 1498 CD PRO A 111 15.150 4.320 0.842 1.00 0.54 C ATOM 0 HA PRO A 111 12.850 2.216 0.738 1.00 0.49 H new ATOM 0 HB2 PRO A 111 15.840 1.555 0.913 1.00 0.58 H new ATOM 0 HB3 PRO A 111 14.770 1.287 -0.449 1.00 0.58 H new ATOM 0 HG2 PRO A 111 16.479 3.311 -0.512 1.00 0.60 H new ATOM 0 HG3 PRO A 111 14.856 3.533 -1.135 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.036 4.510 1.448 1.00 0.54 H new ATOM 0 HD3 PRO A 111 14.841 5.277 0.421 1.00 0.54 H new ATOM 1506 N ASP A 112 14.615 1.530 3.375 1.00 0.47 N ATOM 1507 CA ASP A 112 14.705 0.613 4.503 1.00 0.49 C ATOM 1508 C ASP A 112 13.447 0.668 5.359 1.00 0.43 C ATOM 1509 O ASP A 112 12.970 -0.361 5.839 1.00 0.45 O ATOM 1510 CB ASP A 112 15.935 0.924 5.350 1.00 0.60 C ATOM 1511 CG ASP A 112 16.173 -0.124 6.412 1.00 1.16 C ATOM 1512 OD1 ASP A 112 16.259 0.238 7.604 1.00 1.71 O ATOM 1513 OD2 ASP A 112 16.268 -1.320 6.061 1.00 2.04 O ATOM 0 H ASP A 112 15.245 2.330 3.429 1.00 0.47 H new ATOM 0 HA ASP A 112 14.800 -0.397 4.105 1.00 0.49 H new ATOM 0 HB2 ASP A 112 16.811 0.992 4.705 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.812 1.898 5.824 1.00 0.60 H new ATOM 1518 N GLU A 113 12.898 1.864 5.528 1.00 0.43 N ATOM 1519 CA GLU A 113 11.668 2.031 6.290 1.00 0.45 C ATOM 1520 C GLU A 113 10.504 1.386 5.553 1.00 0.37 C ATOM 1521 O GLU A 113 9.620 0.793 6.169 1.00 0.40 O ATOM 1522 CB GLU A 113 11.384 3.511 6.546 1.00 0.57 C ATOM 1523 CG GLU A 113 12.429 4.185 7.421 1.00 0.78 C ATOM 1524 CD GLU A 113 12.558 3.532 8.781 1.00 1.46 C ATOM 1525 OE1 GLU A 113 11.801 3.903 9.699 1.00 2.21 O ATOM 1526 OE2 GLU A 113 13.421 2.646 8.942 1.00 2.13 O ATOM 0 H GLU A 113 13.283 2.729 5.149 1.00 0.43 H new ATOM 0 HA GLU A 113 11.790 1.538 7.254 1.00 0.45 H new ATOM 0 HB2 GLU A 113 11.329 4.033 5.591 1.00 0.57 H new ATOM 0 HB3 GLU A 113 10.407 3.609 7.019 1.00 0.57 H new ATOM 0 HG2 GLU A 113 13.394 4.157 6.915 1.00 0.78 H new ATOM 0 HG3 GLU A 113 12.167 5.235 7.550 1.00 0.78 H new ATOM 1533 N ALA A 114 10.523 1.486 4.227 1.00 0.37 N ATOM 1534 CA ALA A 114 9.522 0.832 3.395 1.00 0.39 C ATOM 1535 C ALA A 114 9.509 -0.666 3.671 1.00 0.36 C ATOM 1536 O ALA A 114 8.460 -1.252 3.936 1.00 0.38 O ATOM 1537 CB ALA A 114 9.799 1.094 1.921 1.00 0.48 C ATOM 0 H ALA A 114 11.223 2.015 3.706 1.00 0.37 H new ATOM 0 HA ALA A 114 8.543 1.244 3.640 1.00 0.39 H new ATOM 0 HB1 ALA A 114 9.041 0.598 1.315 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.771 2.167 1.731 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.784 0.705 1.661 1.00 0.48 H new ATOM 1543 N LYS A 115 10.693 -1.269 3.638 1.00 0.38 N ATOM 1544 CA LYS A 115 10.843 -2.695 3.902 1.00 0.45 C ATOM 1545 C LYS A 115 10.382 -3.046 5.316 1.00 0.39 C ATOM 1546 O LYS A 115 9.869 -4.139 5.555 1.00 0.44 O ATOM 1547 CB LYS A 115 12.299 -3.125 3.700 1.00 0.57 C ATOM 1548 CG LYS A 115 12.765 -3.038 2.252 1.00 0.75 C ATOM 1549 CD LYS A 115 14.169 -3.613 2.047 1.00 0.77 C ATOM 1550 CE LYS A 115 15.250 -2.788 2.741 1.00 1.22 C ATOM 1551 NZ LYS A 115 15.387 -3.119 4.186 1.00 1.53 N ATOM 0 H LYS A 115 11.568 -0.788 3.429 1.00 0.38 H new ATOM 0 HA LYS A 115 10.213 -3.235 3.195 1.00 0.45 H new ATOM 0 HB2 LYS A 115 12.943 -2.500 4.318 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.418 -4.150 4.050 1.00 0.57 H new ATOM 0 HG2 LYS A 115 12.061 -3.574 1.615 1.00 0.75 H new ATOM 0 HG3 LYS A 115 12.754 -1.996 1.933 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.198 -4.635 2.426 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.385 -3.663 0.980 1.00 0.77 H new ATOM 0 HE2 LYS A 115 16.205 -2.955 2.242 1.00 1.22 H new ATOM 0 HE3 LYS A 115 15.016 -1.729 2.636 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 15.471 -2.241 4.737 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 14.549 -3.647 4.502 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 16.237 -3.701 4.330 1.00 1.53 H new ATOM 1565 N ARG A 116 10.554 -2.106 6.242 1.00 0.36 N ATOM 1566 CA ARG A 116 10.147 -2.313 7.627 1.00 0.39 C ATOM 1567 C ARG A 116 8.631 -2.454 7.731 1.00 0.35 C ATOM 1568 O ARG A 116 8.128 -3.414 8.318 1.00 0.42 O ATOM 1569 CB ARG A 116 10.625 -1.154 8.512 1.00 0.50 C ATOM 1570 CG ARG A 116 10.141 -1.245 9.955 1.00 1.14 C ATOM 1571 CD ARG A 116 10.676 -2.487 10.647 1.00 1.65 C ATOM 1572 NE ARG A 116 10.051 -2.714 11.949 1.00 2.40 N ATOM 1573 CZ ARG A 116 10.541 -3.533 12.878 1.00 3.29 C ATOM 1574 NH1 ARG A 116 11.706 -4.140 12.690 1.00 3.61 N ATOM 1575 NH2 ARG A 116 9.872 -3.731 14.007 1.00 4.21 N ATOM 0 H ARG A 116 10.972 -1.194 6.057 1.00 0.36 H new ATOM 0 HA ARG A 116 10.609 -3.236 7.977 1.00 0.39 H new ATOM 0 HB2 ARG A 116 11.715 -1.128 8.504 1.00 0.50 H new ATOM 0 HB3 ARG A 116 10.281 -0.214 8.081 1.00 0.50 H new ATOM 0 HG2 ARG A 116 10.458 -0.358 10.502 1.00 1.14 H new ATOM 0 HG3 ARG A 116 9.051 -1.258 9.974 1.00 1.14 H new ATOM 0 HD2 ARG A 116 10.507 -3.355 10.010 1.00 1.65 H new ATOM 0 HD3 ARG A 116 11.754 -2.391 10.777 1.00 1.65 H new ATOM 0 HE ARG A 116 9.187 -2.215 12.159 1.00 2.40 H new ATOM 0 HH11 ARG A 116 12.231 -3.980 11.830 1.00 3.61 H new ATOM 0 HH12 ARG A 116 12.076 -4.766 13.405 1.00 3.61 H new ATOM 0 HH21 ARG A 116 8.983 -3.256 14.163 1.00 4.21 H new ATOM 0 HH22 ARG A 116 10.247 -4.358 14.719 1.00 4.21 H new ATOM 1589 N TRP A 117 7.908 -1.501 7.153 1.00 0.31 N ATOM 1590 CA TRP A 117 6.453 -1.508 7.219 1.00 0.32 C ATOM 1591 C TRP A 117 5.884 -2.723 6.497 1.00 0.30 C ATOM 1592 O TRP A 117 4.923 -3.336 6.965 1.00 0.36 O ATOM 1593 CB TRP A 117 5.875 -0.219 6.630 1.00 0.36 C ATOM 1594 CG TRP A 117 6.308 1.013 7.367 1.00 0.40 C ATOM 1595 CD1 TRP A 117 6.998 2.073 6.854 1.00 0.47 C ATOM 1596 CD2 TRP A 117 6.086 1.311 8.751 1.00 0.56 C ATOM 1597 NE1 TRP A 117 7.221 3.008 7.834 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.670 2.565 9.006 1.00 0.60 C ATOM 1599 CE3 TRP A 117 5.451 0.640 9.800 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 6.637 3.161 10.263 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 5.420 1.232 11.047 1.00 0.98 C ATOM 1602 CH2 TRP A 117 6.009 2.482 11.269 1.00 0.99 C ATOM 0 H TRP A 117 8.305 -0.717 6.635 1.00 0.31 H new ATOM 0 HA TRP A 117 6.165 -1.566 8.269 1.00 0.32 H new ATOM 0 HB2 TRP A 117 6.179 -0.136 5.586 1.00 0.36 H new ATOM 0 HB3 TRP A 117 4.787 -0.278 6.642 1.00 0.36 H new ATOM 0 HD1 TRP A 117 7.321 2.163 5.827 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.717 3.890 7.709 1.00 0.53 H new ATOM 0 HE3 TRP A 117 4.993 -0.324 9.638 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 7.091 4.125 10.437 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 4.933 0.722 11.865 1.00 0.98 H new ATOM 0 HH2 TRP A 117 5.966 2.919 12.256 1.00 0.99 H new ATOM 1613 N ILE A 118 6.491 -3.072 5.367 1.00 0.29 N ATOM 1614 CA ILE A 118 6.094 -4.257 4.613 1.00 0.32 C ATOM 1615 C ILE A 118 6.231 -5.509 5.474 1.00 0.36 C ATOM 1616 O ILE A 118 5.323 -6.337 5.534 1.00 0.40 O ATOM 1617 CB ILE A 118 6.943 -4.425 3.331 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.687 -3.263 2.368 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.640 -5.755 2.654 1.00 0.51 C ATOM 1620 CD1 ILE A 118 7.572 -3.282 1.139 1.00 0.57 C ATOM 0 H ILE A 118 7.262 -2.549 4.952 1.00 0.29 H new ATOM 0 HA ILE A 118 5.052 -4.123 4.324 1.00 0.32 H new ATOM 0 HB ILE A 118 7.996 -4.419 3.613 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.644 -3.287 2.053 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.838 -2.323 2.899 1.00 0.44 H new ATOM 0 HG21 ILE A 118 7.248 -5.852 1.755 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.870 -6.572 3.338 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.585 -5.794 2.384 1.00 0.51 H new ATOM 0 HD11 ILE A 118 7.332 -2.429 0.505 1.00 0.57 H new ATOM 0 HD12 ILE A 118 8.617 -3.226 1.443 1.00 0.57 H new ATOM 0 HD13 ILE A 118 7.404 -4.205 0.584 1.00 0.57 H new ATOM 1632 N LYS A 119 7.365 -5.624 6.154 1.00 0.41 N ATOM 1633 CA LYS A 119 7.641 -6.772 7.009 1.00 0.53 C ATOM 1634 C LYS A 119 6.603 -6.885 8.121 1.00 0.55 C ATOM 1635 O LYS A 119 6.056 -7.960 8.371 1.00 0.67 O ATOM 1636 CB LYS A 119 9.037 -6.644 7.621 1.00 0.63 C ATOM 1637 CG LYS A 119 9.473 -7.865 8.410 1.00 1.09 C ATOM 1638 CD LYS A 119 10.848 -7.669 9.021 1.00 1.34 C ATOM 1639 CE LYS A 119 11.319 -8.921 9.738 1.00 2.05 C ATOM 1640 NZ LYS A 119 11.517 -10.059 8.802 1.00 2.66 N ATOM 0 H LYS A 119 8.113 -4.931 6.129 1.00 0.41 H new ATOM 0 HA LYS A 119 7.593 -7.672 6.396 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.758 -6.461 6.824 1.00 0.63 H new ATOM 0 HB3 LYS A 119 9.058 -5.773 8.276 1.00 0.63 H new ATOM 0 HG2 LYS A 119 8.749 -8.068 9.199 1.00 1.09 H new ATOM 0 HG3 LYS A 119 9.485 -8.737 7.756 1.00 1.09 H new ATOM 0 HD2 LYS A 119 11.561 -7.405 8.240 1.00 1.34 H new ATOM 0 HD3 LYS A 119 10.821 -6.835 9.722 1.00 1.34 H new ATOM 0 HE2 LYS A 119 12.255 -8.711 10.256 1.00 2.05 H new ATOM 0 HE3 LYS A 119 10.589 -9.200 10.498 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 12.056 -10.810 9.278 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 10.592 -10.431 8.507 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 12.042 -9.733 7.966 1.00 2.66 H new ATOM 1654 N GLU A 120 6.327 -5.762 8.768 1.00 0.51 N ATOM 1655 CA GLU A 120 5.403 -5.724 9.894 1.00 0.63 C ATOM 1656 C GLU A 120 3.977 -6.063 9.456 1.00 0.60 C ATOM 1657 O GLU A 120 3.228 -6.707 10.193 1.00 0.79 O ATOM 1658 CB GLU A 120 5.445 -4.341 10.544 1.00 0.71 C ATOM 1659 CG GLU A 120 4.532 -4.201 11.747 1.00 1.43 C ATOM 1660 CD GLU A 120 4.601 -2.824 12.363 1.00 1.83 C ATOM 1661 OE1 GLU A 120 5.324 -2.655 13.371 1.00 2.48 O ATOM 1662 OE2 GLU A 120 3.935 -1.907 11.843 1.00 2.33 O ATOM 0 H GLU A 120 6.733 -4.857 8.530 1.00 0.51 H new ATOM 0 HA GLU A 120 5.713 -6.476 10.620 1.00 0.63 H new ATOM 0 HB2 GLU A 120 6.469 -4.125 10.850 1.00 0.71 H new ATOM 0 HB3 GLU A 120 5.169 -3.592 9.801 1.00 0.71 H new ATOM 0 HG2 GLU A 120 3.505 -4.411 11.447 1.00 1.43 H new ATOM 0 HG3 GLU A 120 4.804 -4.945 12.495 1.00 1.43 H new ATOM 1669 N PHE A 121 3.613 -5.633 8.257 1.00 0.44 N ATOM 1670 CA PHE A 121 2.278 -5.879 7.721 1.00 0.43 C ATOM 1671 C PHE A 121 2.162 -7.313 7.208 1.00 0.46 C ATOM 1672 O PHE A 121 1.099 -7.925 7.278 1.00 0.54 O ATOM 1673 CB PHE A 121 1.989 -4.882 6.598 1.00 0.38 C ATOM 1674 CG PHE A 121 0.588 -4.940 6.054 1.00 0.43 C ATOM 1675 CD1 PHE A 121 0.346 -5.435 4.782 1.00 1.37 C ATOM 1676 CD2 PHE A 121 -0.481 -4.488 6.809 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -0.938 -5.477 4.275 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -1.767 -4.530 6.307 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.996 -5.025 5.038 1.00 0.67 C ATOM 0 H PHE A 121 4.226 -5.109 7.632 1.00 0.44 H new ATOM 0 HA PHE A 121 1.544 -5.745 8.515 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.180 -3.874 6.967 1.00 0.38 H new ATOM 0 HB3 PHE A 121 2.689 -5.061 5.782 1.00 0.38 H new ATOM 0 HD1 PHE A 121 1.170 -5.791 4.181 1.00 1.37 H new ATOM 0 HD2 PHE A 121 -0.307 -4.098 7.801 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -1.114 -5.863 3.282 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -2.593 -4.176 6.906 1.00 1.23 H new ATOM 0 HZ PHE A 121 -3.001 -5.058 4.643 1.00 0.67 H new ATOM 1689 N SER A 122 3.266 -7.837 6.696 1.00 0.44 N ATOM 1690 CA SER A 122 3.314 -9.205 6.202 1.00 0.50 C ATOM 1691 C SER A 122 3.084 -10.198 7.337 1.00 0.58 C ATOM 1692 O SER A 122 2.283 -11.129 7.214 1.00 0.80 O ATOM 1693 CB SER A 122 4.672 -9.473 5.537 1.00 0.57 C ATOM 1694 OG SER A 122 4.806 -10.829 5.134 1.00 1.31 O ATOM 0 H SER A 122 4.147 -7.330 6.612 1.00 0.44 H new ATOM 0 HA SER A 122 2.521 -9.335 5.466 1.00 0.50 H new ATOM 0 HB2 SER A 122 4.786 -8.823 4.669 1.00 0.57 H new ATOM 0 HB3 SER A 122 5.473 -9.220 6.232 1.00 0.57 H new ATOM 0 HG SER A 122 5.043 -11.379 5.910 1.00 1.31 H new ATOM 1700 N GLU A 123 3.775 -9.984 8.445 1.00 0.63 N ATOM 1701 CA GLU A 123 3.749 -10.930 9.547 1.00 0.81 C ATOM 1702 C GLU A 123 2.643 -10.606 10.543 1.00 0.92 C ATOM 1703 O GLU A 123 2.899 -10.113 11.643 1.00 1.44 O ATOM 1704 CB GLU A 123 5.110 -10.961 10.244 1.00 1.25 C ATOM 1705 CG GLU A 123 6.237 -11.402 9.325 1.00 1.57 C ATOM 1706 CD GLU A 123 5.924 -12.708 8.624 1.00 1.91 C ATOM 1707 OE1 GLU A 123 5.539 -12.675 7.437 1.00 2.53 O ATOM 1708 OE2 GLU A 123 6.050 -13.776 9.263 1.00 2.37 O ATOM 0 H GLU A 123 4.360 -9.164 8.604 1.00 0.63 H new ATOM 0 HA GLU A 123 3.536 -11.917 9.136 1.00 0.81 H new ATOM 0 HB2 GLU A 123 5.335 -9.969 10.635 1.00 1.25 H new ATOM 0 HB3 GLU A 123 5.060 -11.636 11.098 1.00 1.25 H new ATOM 0 HG2 GLU A 123 6.421 -10.627 8.581 1.00 1.57 H new ATOM 0 HG3 GLU A 123 7.154 -11.513 9.904 1.00 1.57 H new