USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 861 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 THR OG1 : rot 180:sc= -0.152 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 59 SER OG : rot 180:sc= -0.379 USER MOD Set 2.2: A 60 ASN : amide:sc= -0.247 K(o=-0.63,f=2.1) USER MOD Set 3.1: A 49 SER OG : rot -102:sc= 0.984 USER MOD Set 3.2: A 50 GLN : amide:sc= 0.0941 X(o=1.1,f=0.78) USER MOD Single : A 1 MET CE :methyl -130:sc= -0.328 (180deg=-2.19!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.331 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= -0.0386 (180deg=-0.219) USER MOD Single : A 13 LYS NZ :NH3+ -121:sc= 0.508 (180deg=0.0357) USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= 1.24 (180deg=1.2) USER MOD Single : A 21 MET CE :methyl -139:sc= -0.239 (180deg=-0.985) USER MOD Single : A 24 LYS NZ :NH3+ 167:sc=-0.00672 (180deg=-0.127) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 31 THR OG1 : rot 40:sc= 0.134 USER MOD Single : A 33 LYS NZ :NH3+ 158:sc= -3.19! (180deg=-4.5!) USER MOD Single : A 34 THR OG1 : rot -66:sc= 0.737 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.17) USER MOD Single : A 40 LYS NZ :NH3+ 151:sc= 0.93 (180deg=0.357) USER MOD Single : A 41 TYR OH : rot -126:sc= 0.592 USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.112) USER MOD Single : A 51 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.25) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= 2.36 (180deg=2.12) USER MOD Single : A 68 LYS NZ :NH3+ -158:sc= 0.415 (180deg=0.0803) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00286) USER MOD Single : A 74 MET CE :methyl 171:sc= -0.088 (180deg=-0.307) USER MOD Single : A 80 THR OG1 : rot 46:sc= 0.0945 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -132:sc= -0.467 (180deg=-2.49!) USER MOD Single : A 94 LYS NZ :NH3+ -152:sc= 2.37 (180deg=0.85) USER MOD Single : A 97 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.374 17.097 5.824 1.00 1.23 N ATOM 2 CA MET A 1 -0.883 16.029 4.918 1.00 1.55 C ATOM 3 C MET A 1 -0.027 14.756 5.034 1.00 21.34 C ATOM 4 O MET A 1 1.156 14.771 4.699 1.00 53.51 O ATOM 5 CB MET A 1 -0.887 16.531 3.466 1.00 52.52 C ATOM 6 CG MET A 1 -1.631 15.618 2.501 1.00 73.11 C ATOM 7 SD MET A 1 -3.369 15.428 2.955 1.00 45.11 S ATOM 8 CE MET A 1 -3.960 14.384 1.625 1.00 44.45 C ATOM 0 H1 MET A 1 -0.967 17.946 5.728 1.00 1.23 H new ATOM 0 H2 MET A 1 -0.406 16.762 6.808 1.00 1.23 H new ATOM 0 H3 MET A 1 0.607 17.330 5.569 1.00 1.23 H new ATOM 0 HA MET A 1 -1.902 15.783 5.216 1.00 1.55 H new ATOM 0 HB2 MET A 1 -1.340 17.522 3.436 1.00 52.52 H new ATOM 0 HB3 MET A 1 0.143 16.640 3.127 1.00 52.52 H new ATOM 0 HG2 MET A 1 -1.562 16.024 1.492 1.00 73.11 H new ATOM 0 HG3 MET A 1 -1.151 14.639 2.485 1.00 73.11 H new ATOM 0 HE1 MET A 1 -4.865 14.816 1.198 1.00 44.45 H new ATOM 0 HE2 MET A 1 -3.194 14.310 0.853 1.00 44.45 H new ATOM 0 HE3 MET A 1 -4.181 13.390 2.014 1.00 44.45 H new ATOM 20 N LEU A 2 -0.625 13.660 5.505 1.00 73.32 N ATOM 21 CA LEU A 2 0.115 12.405 5.708 1.00 72.35 C ATOM 22 C LEU A 2 -0.035 11.451 4.507 1.00 34.02 C ATOM 23 O LEU A 2 -1.065 11.435 3.830 1.00 15.33 O ATOM 24 CB LEU A 2 -0.353 11.696 6.991 1.00 2.44 C ATOM 25 CG LEU A 2 -0.216 12.504 8.300 1.00 14.34 C ATOM 26 CD1 LEU A 2 -1.351 13.515 8.457 1.00 62.33 C ATOM 27 CD2 LEU A 2 -0.153 11.567 9.504 1.00 32.20 C ATOM 0 H LEU A 2 -1.613 13.612 5.753 1.00 73.32 H new ATOM 0 HA LEU A 2 1.168 12.669 5.805 1.00 72.35 H new ATOM 0 HB2 LEU A 2 -1.400 11.417 6.867 1.00 2.44 H new ATOM 0 HB3 LEU A 2 0.213 10.770 7.098 1.00 2.44 H new ATOM 0 HG LEU A 2 0.717 13.065 8.248 1.00 14.34 H new ATOM 0 HD11 LEU A 2 -1.222 14.065 9.389 1.00 62.33 H new ATOM 0 HD12 LEU A 2 -1.336 14.212 7.619 1.00 62.33 H new ATOM 0 HD13 LEU A 2 -2.306 12.990 8.475 1.00 62.33 H new ATOM 0 HD21 LEU A 2 -0.057 12.154 10.417 1.00 32.20 H new ATOM 0 HD22 LEU A 2 -1.065 10.972 9.550 1.00 32.20 H new ATOM 0 HD23 LEU A 2 0.708 10.905 9.405 1.00 32.20 H new ATOM 39 N LEU A 3 1.001 10.653 4.257 1.00 22.20 N ATOM 40 CA LEU A 3 0.995 9.674 3.159 1.00 35.41 C ATOM 41 C LEU A 3 1.459 8.291 3.652 1.00 2.33 C ATOM 42 O LEU A 3 2.483 8.175 4.330 1.00 23.15 O ATOM 43 CB LEU A 3 1.910 10.150 2.018 1.00 64.22 C ATOM 44 CG LEU A 3 1.482 11.454 1.320 1.00 22.32 C ATOM 45 CD1 LEU A 3 2.521 11.885 0.286 1.00 0.43 C ATOM 46 CD2 LEU A 3 0.115 11.290 0.667 1.00 1.45 C ATOM 0 H LEU A 3 1.864 10.662 4.801 1.00 22.20 H new ATOM 0 HA LEU A 3 -0.027 9.587 2.790 1.00 35.41 H new ATOM 0 HB2 LEU A 3 2.916 10.285 2.416 1.00 64.22 H new ATOM 0 HB3 LEU A 3 1.967 9.360 1.269 1.00 64.22 H new ATOM 0 HG LEU A 3 1.411 12.235 2.077 1.00 22.32 H new ATOM 0 HD11 LEU A 3 2.196 12.808 -0.193 1.00 0.43 H new ATOM 0 HD12 LEU A 3 3.479 12.050 0.780 1.00 0.43 H new ATOM 0 HD13 LEU A 3 2.631 11.104 -0.467 1.00 0.43 H new ATOM 0 HD21 LEU A 3 -0.169 12.222 0.179 1.00 1.45 H new ATOM 0 HD22 LEU A 3 0.159 10.492 -0.074 1.00 1.45 H new ATOM 0 HD23 LEU A 3 -0.624 11.039 1.428 1.00 1.45 H new ATOM 58 N TYR A 4 0.704 7.245 3.310 1.00 74.51 N ATOM 59 CA TYR A 4 1.041 5.869 3.725 1.00 53.32 C ATOM 60 C TYR A 4 1.038 4.893 2.534 1.00 42.42 C ATOM 61 O TYR A 4 0.276 5.057 1.578 1.00 11.13 O ATOM 62 CB TYR A 4 0.053 5.367 4.789 1.00 42.40 C ATOM 63 CG TYR A 4 0.206 6.008 6.161 1.00 4.23 C ATOM 64 CD1 TYR A 4 -0.417 7.212 6.468 1.00 21.01 C ATOM 65 CD2 TYR A 4 0.954 5.388 7.162 1.00 52.31 C ATOM 66 CE1 TYR A 4 -0.304 7.778 7.725 1.00 41.41 C ATOM 67 CE2 TYR A 4 1.075 5.952 8.419 1.00 31.44 C ATOM 68 CZ TYR A 4 0.443 7.145 8.695 1.00 45.31 C ATOM 69 OH TYR A 4 0.548 7.702 9.951 1.00 22.25 O ATOM 0 H TYR A 4 -0.144 7.317 2.748 1.00 74.51 H new ATOM 0 HA TYR A 4 2.047 5.902 4.142 1.00 53.32 H new ATOM 0 HB2 TYR A 4 -0.962 5.544 4.433 1.00 42.40 H new ATOM 0 HB3 TYR A 4 0.171 4.288 4.893 1.00 42.40 H new ATOM 0 HD1 TYR A 4 -1.000 7.715 5.711 1.00 21.01 H new ATOM 0 HD2 TYR A 4 1.448 4.451 6.952 1.00 52.31 H new ATOM 0 HE1 TYR A 4 -0.799 8.712 7.945 1.00 41.41 H new ATOM 0 HE2 TYR A 4 1.662 5.460 9.180 1.00 31.44 H new ATOM 0 HH TYR A 4 1.109 7.131 10.516 1.00 22.25 H new ATOM 79 N VAL A 5 1.889 3.869 2.610 1.00 21.20 N ATOM 80 CA VAL A 5 1.968 2.836 1.567 1.00 71.31 C ATOM 81 C VAL A 5 1.722 1.434 2.154 1.00 62.21 C ATOM 82 O VAL A 5 2.167 1.127 3.258 1.00 22.02 O ATOM 83 CB VAL A 5 3.349 2.860 0.854 1.00 4.33 C ATOM 84 CG1 VAL A 5 3.428 1.795 -0.242 1.00 35.13 C ATOM 85 CG2 VAL A 5 3.641 4.248 0.282 1.00 64.23 C ATOM 0 H VAL A 5 2.537 3.729 3.385 1.00 21.20 H new ATOM 0 HA VAL A 5 1.189 3.058 0.838 1.00 71.31 H new ATOM 0 HB VAL A 5 4.111 2.629 1.599 1.00 4.33 H new ATOM 0 HG11 VAL A 5 4.406 1.838 -0.721 1.00 35.13 H new ATOM 0 HG12 VAL A 5 3.283 0.808 0.198 1.00 35.13 H new ATOM 0 HG13 VAL A 5 2.652 1.979 -0.985 1.00 35.13 H new ATOM 0 HG21 VAL A 5 4.612 4.241 -0.212 1.00 64.23 H new ATOM 0 HG22 VAL A 5 2.869 4.514 -0.440 1.00 64.23 H new ATOM 0 HG23 VAL A 5 3.650 4.980 1.090 1.00 64.23 H new ATOM 95 N LEU A 6 1.005 0.597 1.409 1.00 2.43 N ATOM 96 CA LEU A 6 0.722 -0.788 1.810 1.00 22.12 C ATOM 97 C LEU A 6 1.243 -1.767 0.750 1.00 20.41 C ATOM 98 O LEU A 6 1.071 -1.536 -0.446 1.00 31.21 O ATOM 99 CB LEU A 6 -0.791 -1.000 1.991 1.00 52.14 C ATOM 100 CG LEU A 6 -1.467 -0.127 3.062 1.00 11.12 C ATOM 101 CD1 LEU A 6 -2.974 -0.375 3.091 1.00 40.24 C ATOM 102 CD2 LEU A 6 -0.849 -0.386 4.432 1.00 73.22 C ATOM 0 H LEU A 6 0.601 0.855 0.509 1.00 2.43 H new ATOM 0 HA LEU A 6 1.227 -0.975 2.758 1.00 22.12 H new ATOM 0 HB2 LEU A 6 -1.281 -0.814 1.035 1.00 52.14 H new ATOM 0 HB3 LEU A 6 -0.965 -2.047 2.240 1.00 52.14 H new ATOM 0 HG LEU A 6 -1.302 0.919 2.805 1.00 11.12 H new ATOM 0 HD11 LEU A 6 -3.431 0.253 3.856 1.00 40.24 H new ATOM 0 HD12 LEU A 6 -3.402 -0.132 2.118 1.00 40.24 H new ATOM 0 HD13 LEU A 6 -3.166 -1.423 3.320 1.00 40.24 H new ATOM 0 HD21 LEU A 6 -1.340 0.240 5.177 1.00 73.22 H new ATOM 0 HD22 LEU A 6 -0.979 -1.435 4.697 1.00 73.22 H new ATOM 0 HD23 LEU A 6 0.214 -0.149 4.402 1.00 73.22 H new ATOM 114 N ILE A 7 1.874 -2.856 1.179 1.00 33.11 N ATOM 115 CA ILE A 7 2.366 -3.871 0.241 1.00 55.13 C ATOM 116 C ILE A 7 1.933 -5.282 0.667 1.00 44.31 C ATOM 117 O ILE A 7 1.906 -5.601 1.857 1.00 41.32 O ATOM 118 CB ILE A 7 3.913 -3.815 0.110 1.00 54.22 C ATOM 119 CG1 ILE A 7 4.382 -4.607 -1.122 1.00 55.52 C ATOM 120 CG2 ILE A 7 4.585 -4.345 1.377 1.00 75.34 C ATOM 121 CD1 ILE A 7 5.867 -4.490 -1.393 1.00 63.14 C ATOM 0 H ILE A 7 2.058 -3.061 2.161 1.00 33.11 H new ATOM 0 HA ILE A 7 1.924 -3.649 -0.730 1.00 55.13 H new ATOM 0 HB ILE A 7 4.205 -2.773 -0.020 1.00 54.22 H new ATOM 0 HG12 ILE A 7 4.129 -5.658 -0.985 1.00 55.52 H new ATOM 0 HG13 ILE A 7 3.834 -4.258 -1.997 1.00 55.52 H new ATOM 0 HG21 ILE A 7 5.668 -4.296 1.262 1.00 75.34 H new ATOM 0 HG22 ILE A 7 4.283 -3.738 2.230 1.00 75.34 H new ATOM 0 HG23 ILE A 7 4.284 -5.379 1.543 1.00 75.34 H new ATOM 0 HD11 ILE A 7 6.123 -5.075 -2.276 1.00 63.14 H new ATOM 0 HD12 ILE A 7 6.125 -3.445 -1.563 1.00 63.14 H new ATOM 0 HD13 ILE A 7 6.424 -4.866 -0.535 1.00 63.14 H new ATOM 133 N ILE A 8 1.572 -6.118 -0.306 1.00 35.43 N ATOM 134 CA ILE A 8 1.178 -7.504 -0.031 1.00 70.34 C ATOM 135 C ILE A 8 2.016 -8.488 -0.858 1.00 62.45 C ATOM 136 O ILE A 8 1.806 -8.647 -2.064 1.00 52.34 O ATOM 137 CB ILE A 8 -0.327 -7.735 -0.332 1.00 73.10 C ATOM 138 CG1 ILE A 8 -1.188 -6.698 0.415 1.00 22.14 C ATOM 139 CG2 ILE A 8 -0.741 -9.160 0.049 1.00 71.42 C ATOM 140 CD1 ILE A 8 -2.679 -6.835 0.174 1.00 55.01 C ATOM 0 H ILE A 8 1.543 -5.862 -1.293 1.00 35.43 H new ATOM 0 HA ILE A 8 1.357 -7.682 1.029 1.00 70.34 H new ATOM 0 HB ILE A 8 -0.489 -7.610 -1.403 1.00 73.10 H new ATOM 0 HG12 ILE A 8 -0.995 -6.785 1.484 1.00 22.14 H new ATOM 0 HG13 ILE A 8 -0.874 -5.698 0.115 1.00 22.14 H new ATOM 0 HG21 ILE A 8 -1.799 -9.302 -0.170 1.00 71.42 H new ATOM 0 HG22 ILE A 8 -0.153 -9.876 -0.525 1.00 71.42 H new ATOM 0 HG23 ILE A 8 -0.566 -9.317 1.113 1.00 71.42 H new ATOM 0 HD11 ILE A 8 -3.211 -6.067 0.736 1.00 55.01 H new ATOM 0 HD12 ILE A 8 -2.888 -6.716 -0.889 1.00 55.01 H new ATOM 0 HD13 ILE A 8 -3.011 -7.820 0.501 1.00 55.01 H new ATOM 152 N SER A 9 2.973 -9.139 -0.200 1.00 31.24 N ATOM 153 CA SER A 9 3.840 -10.128 -0.855 1.00 41.22 C ATOM 154 C SER A 9 4.519 -11.050 0.166 1.00 3.15 C ATOM 155 O SER A 9 4.642 -10.713 1.347 1.00 72.43 O ATOM 156 CB SER A 9 4.918 -9.432 -1.698 1.00 11.54 C ATOM 157 OG SER A 9 5.817 -10.373 -2.273 1.00 43.43 O ATOM 0 H SER A 9 3.172 -9.001 0.791 1.00 31.24 H new ATOM 0 HA SER A 9 3.203 -10.732 -1.501 1.00 41.22 H new ATOM 0 HB2 SER A 9 4.444 -8.850 -2.488 1.00 11.54 H new ATOM 0 HB3 SER A 9 5.473 -8.731 -1.075 1.00 11.54 H new ATOM 0 HG SER A 9 6.490 -9.899 -2.805 1.00 43.43 H new ATOM 163 N ASN A 10 4.964 -12.212 -0.305 1.00 35.04 N ATOM 164 CA ASN A 10 5.720 -13.159 0.521 1.00 24.02 C ATOM 165 C ASN A 10 7.226 -13.058 0.228 1.00 73.35 C ATOM 166 O ASN A 10 8.053 -13.606 0.962 1.00 41.15 O ATOM 167 CB ASN A 10 5.238 -14.591 0.254 1.00 13.33 C ATOM 168 CG ASN A 10 3.771 -14.782 0.594 1.00 74.42 C ATOM 169 OD1 ASN A 10 3.244 -14.155 1.506 1.00 63.41 O ATOM 170 ND2 ASN A 10 3.098 -15.648 -0.136 1.00 75.33 N ATOM 0 H ASN A 10 4.814 -12.526 -1.264 1.00 35.04 H new ATOM 0 HA ASN A 10 5.551 -12.909 1.568 1.00 24.02 H new ATOM 0 HB2 ASN A 10 5.399 -14.836 -0.796 1.00 13.33 H new ATOM 0 HB3 ASN A 10 5.837 -15.288 0.840 1.00 13.33 H new ATOM 0 HD21 ASN A 10 2.109 -15.813 0.051 1.00 75.33 H new ATOM 0 HD22 ASN A 10 3.566 -16.154 -0.888 1.00 75.33 H new ATOM 177 N ASP A 11 7.568 -12.356 -0.853 1.00 11.44 N ATOM 178 CA ASP A 11 8.958 -12.213 -1.293 1.00 11.55 C ATOM 179 C ASP A 11 9.591 -10.925 -0.745 1.00 65.11 C ATOM 180 O ASP A 11 9.312 -9.821 -1.224 1.00 12.43 O ATOM 181 CB ASP A 11 9.021 -12.220 -2.825 1.00 74.51 C ATOM 182 CG ASP A 11 8.574 -13.547 -3.416 1.00 65.03 C ATOM 183 OD1 ASP A 11 7.386 -13.901 -3.272 1.00 74.44 O ATOM 184 OD2 ASP A 11 9.410 -14.245 -4.024 1.00 4.14 O ATOM 0 H ASP A 11 6.894 -11.872 -1.446 1.00 11.44 H new ATOM 0 HA ASP A 11 9.526 -13.057 -0.901 1.00 11.55 H new ATOM 0 HB2 ASP A 11 8.391 -11.421 -3.216 1.00 74.51 H new ATOM 0 HB3 ASP A 11 10.041 -12.008 -3.145 1.00 74.51 H new ATOM 189 N LYS A 12 10.457 -11.075 0.255 1.00 54.25 N ATOM 190 CA LYS A 12 11.145 -9.932 0.865 1.00 64.13 C ATOM 191 C LYS A 12 11.948 -9.123 -0.160 1.00 43.33 C ATOM 192 O LYS A 12 12.128 -7.927 0.008 1.00 1.42 O ATOM 193 CB LYS A 12 12.063 -10.396 2.006 1.00 75.11 C ATOM 194 CG LYS A 12 11.316 -10.772 3.284 1.00 5.12 C ATOM 195 CD LYS A 12 10.577 -9.571 3.881 1.00 73.43 C ATOM 196 CE LYS A 12 9.888 -9.916 5.197 1.00 42.31 C ATOM 197 NZ LYS A 12 10.858 -10.350 6.238 1.00 23.23 N ATOM 0 H LYS A 12 10.701 -11.977 0.663 1.00 54.25 H new ATOM 0 HA LYS A 12 10.373 -9.277 1.269 1.00 64.13 H new ATOM 0 HB2 LYS A 12 12.641 -11.256 1.668 1.00 75.11 H new ATOM 0 HB3 LYS A 12 12.775 -9.602 2.233 1.00 75.11 H new ATOM 0 HG2 LYS A 12 10.603 -11.568 3.068 1.00 5.12 H new ATOM 0 HG3 LYS A 12 12.021 -11.166 4.016 1.00 5.12 H new ATOM 0 HD2 LYS A 12 11.283 -8.757 4.045 1.00 73.43 H new ATOM 0 HD3 LYS A 12 9.835 -9.211 3.168 1.00 73.43 H new ATOM 0 HE2 LYS A 12 9.336 -9.047 5.556 1.00 42.31 H new ATOM 0 HE3 LYS A 12 9.159 -10.709 5.028 1.00 42.31 H new ATOM 0 HZ1 LYS A 12 10.389 -10.362 7.166 1.00 23.23 H new ATOM 0 HZ2 LYS A 12 11.205 -11.304 6.013 1.00 23.23 H new ATOM 0 HZ3 LYS A 12 11.659 -9.687 6.264 1.00 23.23 H new ATOM 211 N LYS A 13 12.424 -9.764 -1.223 1.00 32.15 N ATOM 212 CA LYS A 13 13.148 -9.047 -2.281 1.00 12.42 C ATOM 213 C LYS A 13 12.301 -7.909 -2.875 1.00 54.33 C ATOM 214 O LYS A 13 12.777 -6.786 -3.027 1.00 34.21 O ATOM 215 CB LYS A 13 13.596 -10.015 -3.390 1.00 1.40 C ATOM 216 CG LYS A 13 14.734 -10.967 -2.990 1.00 73.44 C ATOM 217 CD LYS A 13 16.129 -10.340 -3.142 1.00 74.41 C ATOM 218 CE LYS A 13 16.380 -9.185 -2.172 1.00 73.32 C ATOM 219 NZ LYS A 13 16.204 -9.597 -0.754 1.00 24.14 N ATOM 0 H LYS A 13 12.326 -10.767 -1.379 1.00 32.15 H new ATOM 0 HA LYS A 13 14.033 -8.603 -1.826 1.00 12.42 H new ATOM 0 HB2 LYS A 13 12.737 -10.609 -3.704 1.00 1.40 H new ATOM 0 HB3 LYS A 13 13.915 -9.433 -4.255 1.00 1.40 H new ATOM 0 HG2 LYS A 13 14.593 -11.277 -1.955 1.00 73.44 H new ATOM 0 HG3 LYS A 13 14.678 -11.867 -3.602 1.00 73.44 H new ATOM 0 HD2 LYS A 13 16.885 -11.109 -2.984 1.00 74.41 H new ATOM 0 HD3 LYS A 13 16.249 -9.980 -4.164 1.00 74.41 H new ATOM 0 HE2 LYS A 13 17.391 -8.805 -2.316 1.00 73.32 H new ATOM 0 HE3 LYS A 13 15.697 -8.367 -2.399 1.00 73.32 H new ATOM 0 HZ1 LYS A 13 15.464 -9.015 -0.313 1.00 24.14 H new ATOM 0 HZ2 LYS A 13 15.926 -10.598 -0.715 1.00 24.14 H new ATOM 0 HZ3 LYS A 13 17.099 -9.466 -0.241 1.00 24.14 H new ATOM 233 N LEU A 14 11.041 -8.196 -3.182 1.00 11.54 N ATOM 234 CA LEU A 14 10.147 -7.188 -3.761 1.00 65.14 C ATOM 235 C LEU A 14 9.730 -6.145 -2.705 1.00 4.55 C ATOM 236 O LEU A 14 9.562 -4.963 -3.015 1.00 25.20 O ATOM 237 CB LEU A 14 8.922 -7.881 -4.389 1.00 61.34 C ATOM 238 CG LEU A 14 7.953 -6.969 -5.178 1.00 13.23 C ATOM 239 CD1 LEU A 14 7.324 -7.725 -6.346 1.00 50.12 C ATOM 240 CD2 LEU A 14 6.860 -6.411 -4.269 1.00 24.30 C ATOM 0 H LEU A 14 10.613 -9.111 -3.042 1.00 11.54 H new ATOM 0 HA LEU A 14 10.679 -6.650 -4.546 1.00 65.14 H new ATOM 0 HB2 LEU A 14 9.277 -8.664 -5.058 1.00 61.34 H new ATOM 0 HB3 LEU A 14 8.360 -8.371 -3.594 1.00 61.34 H new ATOM 0 HG LEU A 14 8.534 -6.135 -5.572 1.00 13.23 H new ATOM 0 HD11 LEU A 14 6.647 -7.063 -6.885 1.00 50.12 H new ATOM 0 HD12 LEU A 14 8.108 -8.070 -7.020 1.00 50.12 H new ATOM 0 HD13 LEU A 14 6.768 -8.582 -5.967 1.00 50.12 H new ATOM 0 HD21 LEU A 14 6.194 -5.774 -4.850 1.00 24.30 H new ATOM 0 HD22 LEU A 14 6.290 -7.234 -3.838 1.00 24.30 H new ATOM 0 HD23 LEU A 14 7.315 -5.826 -3.469 1.00 24.30 H new ATOM 252 N ILE A 15 9.584 -6.588 -1.457 1.00 32.32 N ATOM 253 CA ILE A 15 9.201 -5.698 -0.351 1.00 61.34 C ATOM 254 C ILE A 15 10.338 -4.727 0.029 1.00 3.40 C ATOM 255 O ILE A 15 10.126 -3.516 0.135 1.00 34.55 O ATOM 256 CB ILE A 15 8.789 -6.512 0.905 1.00 74.35 C ATOM 257 CG1 ILE A 15 7.644 -7.488 0.566 1.00 1.44 C ATOM 258 CG2 ILE A 15 8.390 -5.577 2.047 1.00 11.31 C ATOM 259 CD1 ILE A 15 7.230 -8.374 1.724 1.00 61.01 C ATOM 0 H ILE A 15 9.725 -7.560 -1.181 1.00 32.32 H new ATOM 0 HA ILE A 15 8.349 -5.116 -0.704 1.00 61.34 H new ATOM 0 HB ILE A 15 9.648 -7.097 1.233 1.00 74.35 H new ATOM 0 HG12 ILE A 15 6.779 -6.916 0.232 1.00 1.44 H new ATOM 0 HG13 ILE A 15 7.952 -8.118 -0.269 1.00 1.44 H new ATOM 0 HG21 ILE A 15 8.105 -6.167 2.918 1.00 11.31 H new ATOM 0 HG22 ILE A 15 9.233 -4.936 2.304 1.00 11.31 H new ATOM 0 HG23 ILE A 15 7.547 -4.960 1.735 1.00 11.31 H new ATOM 0 HD11 ILE A 15 6.421 -9.032 1.408 1.00 61.01 H new ATOM 0 HD12 ILE A 15 8.081 -8.974 2.045 1.00 61.01 H new ATOM 0 HD13 ILE A 15 6.890 -7.754 2.553 1.00 61.01 H new ATOM 271 N GLU A 16 11.537 -5.270 0.242 1.00 43.33 N ATOM 272 CA GLU A 16 12.705 -4.468 0.637 1.00 30.01 C ATOM 273 C GLU A 16 13.007 -3.362 -0.382 1.00 5.01 C ATOM 274 O GLU A 16 13.126 -2.196 -0.018 1.00 2.51 O ATOM 275 CB GLU A 16 13.948 -5.359 0.799 1.00 44.13 C ATOM 276 CG GLU A 16 13.831 -6.406 1.904 1.00 44.22 C ATOM 277 CD GLU A 16 15.088 -7.257 2.041 1.00 3.41 C ATOM 278 OE1 GLU A 16 15.229 -8.256 1.301 1.00 11.00 O ATOM 279 OE2 GLU A 16 15.945 -6.922 2.886 1.00 43.12 O ATOM 0 H GLU A 16 11.730 -6.267 0.148 1.00 43.33 H new ATOM 0 HA GLU A 16 12.461 -4.002 1.592 1.00 30.01 H new ATOM 0 HB2 GLU A 16 14.143 -5.866 -0.146 1.00 44.13 H new ATOM 0 HB3 GLU A 16 14.811 -4.725 1.005 1.00 44.13 H new ATOM 0 HG2 GLU A 16 13.629 -5.907 2.852 1.00 44.22 H new ATOM 0 HG3 GLU A 16 12.979 -7.054 1.697 1.00 44.22 H new ATOM 286 N GLU A 17 13.124 -3.735 -1.656 1.00 11.43 N ATOM 287 CA GLU A 17 13.427 -2.766 -2.720 1.00 14.22 C ATOM 288 C GLU A 17 12.393 -1.629 -2.756 1.00 42.00 C ATOM 289 O GLU A 17 12.729 -0.476 -3.040 1.00 1.45 O ATOM 290 CB GLU A 17 13.480 -3.467 -4.081 1.00 34.33 C ATOM 291 CG GLU A 17 14.483 -4.616 -4.144 1.00 4.13 C ATOM 292 CD GLU A 17 15.919 -4.178 -3.910 1.00 34.54 C ATOM 293 OE1 GLU A 17 16.544 -3.650 -4.852 1.00 22.23 O ATOM 294 OE2 GLU A 17 16.444 -4.382 -2.793 1.00 20.13 O ATOM 0 H GLU A 17 13.015 -4.696 -1.980 1.00 11.43 H new ATOM 0 HA GLU A 17 14.402 -2.331 -2.502 1.00 14.22 H new ATOM 0 HB2 GLU A 17 12.488 -3.850 -4.321 1.00 34.33 H new ATOM 0 HB3 GLU A 17 13.733 -2.734 -4.847 1.00 34.33 H new ATOM 0 HG2 GLU A 17 14.214 -5.365 -3.399 1.00 4.13 H new ATOM 0 HG3 GLU A 17 14.412 -5.097 -5.120 1.00 4.13 H new ATOM 301 N ALA A 18 11.136 -1.961 -2.465 1.00 13.31 N ATOM 302 CA ALA A 18 10.073 -0.958 -2.367 1.00 53.01 C ATOM 303 C ALA A 18 10.289 -0.039 -1.153 1.00 55.33 C ATOM 304 O ALA A 18 10.186 1.186 -1.261 1.00 40.22 O ATOM 305 CB ALA A 18 8.712 -1.640 -2.290 1.00 72.14 C ATOM 0 H ALA A 18 10.827 -2.918 -2.293 1.00 13.31 H new ATOM 0 HA ALA A 18 10.104 -0.338 -3.263 1.00 53.01 H new ATOM 0 HB1 ALA A 18 7.930 -0.884 -2.217 1.00 72.14 H new ATOM 0 HB2 ALA A 18 8.555 -2.240 -3.186 1.00 72.14 H new ATOM 0 HB3 ALA A 18 8.677 -2.284 -1.411 1.00 72.14 H new ATOM 311 N ARG A 19 10.608 -0.636 -0.004 1.00 54.22 N ATOM 312 CA ARG A 19 10.880 0.129 1.223 1.00 45.33 C ATOM 313 C ARG A 19 12.091 1.058 1.054 1.00 62.43 C ATOM 314 O ARG A 19 12.086 2.193 1.526 1.00 63.01 O ATOM 315 CB ARG A 19 11.122 -0.815 2.411 1.00 51.15 C ATOM 316 CG ARG A 19 9.902 -1.639 2.809 1.00 21.11 C ATOM 317 CD ARG A 19 10.141 -2.421 4.096 1.00 54.54 C ATOM 318 NE ARG A 19 10.582 -1.549 5.187 1.00 3.23 N ATOM 319 CZ ARG A 19 9.778 -0.932 6.012 1.00 54.33 C ATOM 320 NH1 ARG A 19 8.496 -1.078 5.919 1.00 73.40 N ATOM 321 NH2 ARG A 19 10.258 -0.167 6.934 1.00 12.04 N ATOM 0 H ARG A 19 10.685 -1.647 0.107 1.00 54.22 H new ATOM 0 HA ARG A 19 10.000 0.741 1.421 1.00 45.33 H new ATOM 0 HB2 ARG A 19 11.939 -1.492 2.163 1.00 51.15 H new ATOM 0 HB3 ARG A 19 11.445 -0.226 3.269 1.00 51.15 H new ATOM 0 HG2 ARG A 19 9.044 -0.979 2.939 1.00 21.11 H new ATOM 0 HG3 ARG A 19 9.653 -2.331 2.004 1.00 21.11 H new ATOM 0 HD2 ARG A 19 9.223 -2.932 4.387 1.00 54.54 H new ATOM 0 HD3 ARG A 19 10.892 -3.191 3.920 1.00 54.54 H new ATOM 0 HE ARG A 19 11.585 -1.414 5.311 1.00 3.23 H new ATOM 0 HH11 ARG A 19 8.102 -1.680 5.196 1.00 73.40 H new ATOM 0 HH12 ARG A 19 7.879 -0.591 6.569 1.00 73.40 H new ATOM 0 HH21 ARG A 19 11.267 -0.043 7.020 1.00 12.04 H new ATOM 0 HH22 ARG A 19 9.629 0.314 7.577 1.00 12.04 H new ATOM 335 N LYS A 20 13.121 0.567 0.373 1.00 2.22 N ATOM 336 CA LYS A 20 14.348 1.340 0.142 1.00 65.01 C ATOM 337 C LYS A 20 14.061 2.637 -0.632 1.00 44.34 C ATOM 338 O LYS A 20 14.786 3.617 -0.501 1.00 34.12 O ATOM 339 CB LYS A 20 15.382 0.471 -0.589 1.00 1.31 C ATOM 340 CG LYS A 20 15.812 -0.742 0.230 1.00 52.20 C ATOM 341 CD LYS A 20 16.709 -1.697 -0.553 1.00 22.33 C ATOM 342 CE LYS A 20 17.069 -2.924 0.281 1.00 44.12 C ATOM 343 NZ LYS A 20 17.913 -3.889 -0.469 1.00 34.34 N ATOM 0 H LYS A 20 13.135 -0.369 -0.033 1.00 2.22 H new ATOM 0 HA LYS A 20 14.758 1.632 1.109 1.00 65.01 H new ATOM 0 HB2 LYS A 20 14.963 0.135 -1.537 1.00 1.31 H new ATOM 0 HB3 LYS A 20 16.258 1.075 -0.824 1.00 1.31 H new ATOM 0 HG2 LYS A 20 16.340 -0.404 1.122 1.00 52.20 H new ATOM 0 HG3 LYS A 20 14.926 -1.279 0.569 1.00 52.20 H new ATOM 0 HD2 LYS A 20 16.202 -2.010 -1.466 1.00 22.33 H new ATOM 0 HD3 LYS A 20 17.619 -1.180 -0.855 1.00 22.33 H new ATOM 0 HE2 LYS A 20 17.596 -2.607 1.181 1.00 44.12 H new ATOM 0 HE3 LYS A 20 16.155 -3.421 0.606 1.00 44.12 H new ATOM 0 HZ1 LYS A 20 17.935 -4.797 0.037 1.00 34.34 H new ATOM 0 HZ2 LYS A 20 17.516 -4.032 -1.419 1.00 34.34 H new ATOM 0 HZ3 LYS A 20 18.880 -3.514 -0.551 1.00 34.34 H new ATOM 357 N MET A 21 13.030 2.621 -1.469 1.00 40.54 N ATOM 358 CA MET A 21 12.513 3.851 -2.086 1.00 15.42 C ATOM 359 C MET A 21 11.635 4.645 -1.105 1.00 51.54 C ATOM 360 O MET A 21 11.819 5.850 -0.926 1.00 72.22 O ATOM 361 CB MET A 21 11.713 3.513 -3.354 1.00 4.40 C ATOM 362 CG MET A 21 12.583 3.130 -4.537 1.00 10.12 C ATOM 363 SD MET A 21 13.509 4.533 -5.190 1.00 44.30 S ATOM 364 CE MET A 21 12.168 5.608 -5.716 1.00 23.04 C ATOM 0 H MET A 21 12.531 1.773 -1.740 1.00 40.54 H new ATOM 0 HA MET A 21 13.366 4.474 -2.354 1.00 15.42 H new ATOM 0 HB2 MET A 21 11.030 2.692 -3.135 1.00 4.40 H new ATOM 0 HB3 MET A 21 11.101 4.372 -3.627 1.00 4.40 H new ATOM 0 HG2 MET A 21 13.279 2.347 -4.235 1.00 10.12 H new ATOM 0 HG3 MET A 21 11.957 2.713 -5.325 1.00 10.12 H new ATOM 0 HE1 MET A 21 12.420 6.062 -6.674 1.00 23.04 H new ATOM 0 HE2 MET A 21 11.254 5.024 -5.821 1.00 23.04 H new ATOM 0 HE3 MET A 21 12.016 6.390 -4.972 1.00 23.04 H new ATOM 374 N ALA A 22 10.680 3.956 -0.477 1.00 55.01 N ATOM 375 CA ALA A 22 9.705 4.592 0.423 1.00 13.10 C ATOM 376 C ALA A 22 10.383 5.430 1.523 1.00 31.43 C ATOM 377 O ALA A 22 9.997 6.576 1.765 1.00 31.32 O ATOM 378 CB ALA A 22 8.799 3.534 1.041 1.00 1.52 C ATOM 0 H ALA A 22 10.558 2.948 -0.574 1.00 55.01 H new ATOM 0 HA ALA A 22 9.106 5.278 -0.176 1.00 13.10 H new ATOM 0 HB1 ALA A 22 8.080 4.014 1.706 1.00 1.52 H new ATOM 0 HB2 ALA A 22 8.266 3.005 0.251 1.00 1.52 H new ATOM 0 HB3 ALA A 22 9.402 2.825 1.609 1.00 1.52 H new ATOM 384 N GLU A 23 11.394 4.855 2.178 1.00 70.34 N ATOM 385 CA GLU A 23 12.176 5.569 3.199 1.00 44.34 C ATOM 386 C GLU A 23 12.693 6.915 2.665 1.00 60.52 C ATOM 387 O GLU A 23 12.584 7.947 3.331 1.00 32.45 O ATOM 388 CB GLU A 23 13.361 4.699 3.656 1.00 10.14 C ATOM 389 CG GLU A 23 12.961 3.454 4.445 1.00 74.11 C ATOM 390 CD GLU A 23 12.350 3.795 5.796 1.00 41.45 C ATOM 391 OE1 GLU A 23 13.110 4.156 6.719 1.00 5.33 O ATOM 392 OE2 GLU A 23 11.113 3.717 5.941 1.00 3.44 O ATOM 0 H GLU A 23 11.694 3.893 2.021 1.00 70.34 H new ATOM 0 HA GLU A 23 11.521 5.769 4.047 1.00 44.34 H new ATOM 0 HB2 GLU A 23 13.930 4.391 2.779 1.00 10.14 H new ATOM 0 HB3 GLU A 23 14.026 5.306 4.270 1.00 10.14 H new ATOM 0 HG2 GLU A 23 12.247 2.872 3.863 1.00 74.11 H new ATOM 0 HG3 GLU A 23 13.838 2.825 4.594 1.00 74.11 H new ATOM 399 N LYS A 24 13.236 6.890 1.450 1.00 72.35 N ATOM 400 CA LYS A 24 13.787 8.093 0.807 1.00 10.12 C ATOM 401 C LYS A 24 12.674 9.037 0.335 1.00 44.11 C ATOM 402 O LYS A 24 12.865 10.252 0.251 1.00 43.51 O ATOM 403 CB LYS A 24 14.699 7.698 -0.370 1.00 73.33 C ATOM 404 CG LYS A 24 16.063 7.160 0.063 1.00 33.13 C ATOM 405 CD LYS A 24 15.952 5.915 0.942 1.00 24.12 C ATOM 406 CE LYS A 24 17.260 5.591 1.655 1.00 65.11 C ATOM 407 NZ LYS A 24 17.573 6.580 2.723 1.00 20.31 N ATOM 0 H LYS A 24 13.309 6.045 0.883 1.00 72.35 H new ATOM 0 HA LYS A 24 14.380 8.629 1.548 1.00 10.12 H new ATOM 0 HB2 LYS A 24 14.194 6.942 -0.971 1.00 73.33 H new ATOM 0 HB3 LYS A 24 14.848 8.567 -1.010 1.00 73.33 H new ATOM 0 HG2 LYS A 24 16.654 6.924 -0.822 1.00 33.13 H new ATOM 0 HG3 LYS A 24 16.600 7.937 0.607 1.00 33.13 H new ATOM 0 HD2 LYS A 24 15.165 6.064 1.681 1.00 24.12 H new ATOM 0 HD3 LYS A 24 15.655 5.065 0.328 1.00 24.12 H new ATOM 0 HE2 LYS A 24 17.198 4.594 2.091 1.00 65.11 H new ATOM 0 HE3 LYS A 24 18.073 5.571 0.929 1.00 65.11 H new ATOM 0 HZ1 LYS A 24 18.339 6.212 3.323 1.00 20.31 H new ATOM 0 HZ2 LYS A 24 17.873 7.476 2.289 1.00 20.31 H new ATOM 0 HZ3 LYS A 24 16.726 6.743 3.304 1.00 20.31 H new ATOM 421 N ALA A 25 11.509 8.468 0.038 1.00 72.40 N ATOM 422 CA ALA A 25 10.327 9.254 -0.328 1.00 53.44 C ATOM 423 C ALA A 25 9.575 9.738 0.923 1.00 61.23 C ATOM 424 O ALA A 25 8.520 10.366 0.820 1.00 73.32 O ATOM 425 CB ALA A 25 9.406 8.430 -1.221 1.00 65.42 C ATOM 0 H ALA A 25 11.355 7.460 0.043 1.00 72.40 H new ATOM 0 HA ALA A 25 10.658 10.134 -0.879 1.00 53.44 H new ATOM 0 HB1 ALA A 25 8.531 9.023 -1.487 1.00 65.42 H new ATOM 0 HB2 ALA A 25 9.939 8.143 -2.127 1.00 65.42 H new ATOM 0 HB3 ALA A 25 9.088 7.534 -0.688 1.00 65.42 H new ATOM 431 N ASN A 26 10.134 9.427 2.101 1.00 5.24 N ATOM 432 CA ASN A 26 9.566 9.833 3.394 1.00 42.22 C ATOM 433 C ASN A 26 8.182 9.202 3.637 1.00 45.04 C ATOM 434 O ASN A 26 7.376 9.719 4.415 1.00 2.43 O ATOM 435 CB ASN A 26 9.495 11.364 3.490 1.00 21.03 C ATOM 436 CG ASN A 26 10.862 12.014 3.355 1.00 31.41 C ATOM 437 OD1 ASN A 26 11.882 11.430 3.711 1.00 61.42 O ATOM 438 ND2 ASN A 26 10.900 13.225 2.837 1.00 44.40 N ATOM 0 H ASN A 26 10.995 8.886 2.184 1.00 5.24 H new ATOM 0 HA ASN A 26 10.228 9.464 4.177 1.00 42.22 H new ATOM 0 HB2 ASN A 26 8.836 11.745 2.710 1.00 21.03 H new ATOM 0 HB3 ASN A 26 9.054 11.646 4.446 1.00 21.03 H new ATOM 0 HD21 ASN A 26 11.794 13.703 2.722 1.00 44.40 H new ATOM 0 HD22 ASN A 26 10.036 13.685 2.551 1.00 44.40 H new ATOM 445 N LEU A 27 7.931 8.064 2.995 1.00 41.25 N ATOM 446 CA LEU A 27 6.654 7.352 3.121 1.00 13.04 C ATOM 447 C LEU A 27 6.812 6.068 3.956 1.00 50.03 C ATOM 448 O LEU A 27 7.687 5.246 3.686 1.00 53.25 O ATOM 449 CB LEU A 27 6.110 6.992 1.728 1.00 73.12 C ATOM 450 CG LEU A 27 6.007 8.161 0.731 1.00 63.25 C ATOM 451 CD1 LEU A 27 5.429 7.693 -0.602 1.00 53.04 C ATOM 452 CD2 LEU A 27 5.171 9.303 1.310 1.00 13.21 C ATOM 0 H LEU A 27 8.600 7.608 2.375 1.00 41.25 H new ATOM 0 HA LEU A 27 5.952 8.013 3.630 1.00 13.04 H new ATOM 0 HB2 LEU A 27 6.751 6.224 1.295 1.00 73.12 H new ATOM 0 HB3 LEU A 27 5.120 6.551 1.847 1.00 73.12 H new ATOM 0 HG LEU A 27 7.015 8.535 0.552 1.00 63.25 H new ATOM 0 HD11 LEU A 27 5.367 8.538 -1.288 1.00 53.04 H new ATOM 0 HD12 LEU A 27 6.074 6.925 -1.029 1.00 53.04 H new ATOM 0 HD13 LEU A 27 4.432 7.281 -0.442 1.00 53.04 H new ATOM 0 HD21 LEU A 27 5.114 10.116 0.586 1.00 13.21 H new ATOM 0 HD22 LEU A 27 4.166 8.943 1.531 1.00 13.21 H new ATOM 0 HD23 LEU A 27 5.636 9.666 2.227 1.00 13.21 H new ATOM 464 N GLU A 28 5.965 5.904 4.969 1.00 31.23 N ATOM 465 CA GLU A 28 5.952 4.676 5.776 1.00 13.22 C ATOM 466 C GLU A 28 5.273 3.519 5.023 1.00 74.40 C ATOM 467 O GLU A 28 4.060 3.538 4.792 1.00 53.10 O ATOM 468 CB GLU A 28 5.242 4.919 7.116 1.00 74.14 C ATOM 469 CG GLU A 28 6.070 5.715 8.122 1.00 4.22 C ATOM 470 CD GLU A 28 7.260 4.927 8.659 1.00 72.32 C ATOM 471 OE1 GLU A 28 7.052 4.044 9.521 1.00 4.14 O ATOM 472 OE2 GLU A 28 8.404 5.174 8.219 1.00 41.45 O ATOM 0 H GLU A 28 5.278 6.602 5.254 1.00 31.23 H new ATOM 0 HA GLU A 28 6.988 4.396 5.968 1.00 13.22 H new ATOM 0 HB2 GLU A 28 4.308 5.449 6.930 1.00 74.14 H new ATOM 0 HB3 GLU A 28 4.980 3.957 7.557 1.00 74.14 H new ATOM 0 HG2 GLU A 28 6.428 6.629 7.649 1.00 4.22 H new ATOM 0 HG3 GLU A 28 5.433 6.015 8.954 1.00 4.22 H new ATOM 479 N LEU A 29 6.062 2.520 4.639 1.00 41.44 N ATOM 480 CA LEU A 29 5.549 1.345 3.929 1.00 63.21 C ATOM 481 C LEU A 29 5.210 0.218 4.919 1.00 12.53 C ATOM 482 O LEU A 29 6.062 -0.235 5.683 1.00 73.04 O ATOM 483 CB LEU A 29 6.583 0.881 2.885 1.00 34.03 C ATOM 484 CG LEU A 29 6.133 -0.246 1.927 1.00 41.25 C ATOM 485 CD1 LEU A 29 6.956 -0.217 0.642 1.00 64.24 C ATOM 486 CD2 LEU A 29 6.260 -1.619 2.588 1.00 51.34 C ATOM 0 H LEU A 29 7.068 2.498 4.808 1.00 41.44 H new ATOM 0 HA LEU A 29 4.628 1.612 3.411 1.00 63.21 H new ATOM 0 HB2 LEU A 29 6.874 1.743 2.285 1.00 34.03 H new ATOM 0 HB3 LEU A 29 7.475 0.545 3.413 1.00 34.03 H new ATOM 0 HG LEU A 29 5.084 -0.074 1.686 1.00 41.25 H new ATOM 0 HD11 LEU A 29 6.625 -1.017 -0.020 1.00 64.24 H new ATOM 0 HD12 LEU A 29 6.821 0.744 0.145 1.00 64.24 H new ATOM 0 HD13 LEU A 29 8.010 -0.357 0.882 1.00 64.24 H new ATOM 0 HD21 LEU A 29 5.936 -2.390 1.889 1.00 51.34 H new ATOM 0 HD22 LEU A 29 7.299 -1.794 2.866 1.00 51.34 H new ATOM 0 HD23 LEU A 29 5.635 -1.652 3.481 1.00 51.34 H new ATOM 498 N ARG A 30 3.961 -0.237 4.892 1.00 54.22 N ATOM 499 CA ARG A 30 3.477 -1.260 5.828 1.00 33.32 C ATOM 500 C ARG A 30 3.357 -2.630 5.136 1.00 53.23 C ATOM 501 O ARG A 30 2.894 -2.722 3.997 1.00 10.12 O ATOM 502 CB ARG A 30 2.112 -0.832 6.387 1.00 22.02 C ATOM 503 CG ARG A 30 2.044 0.641 6.799 1.00 11.04 C ATOM 504 CD ARG A 30 2.939 0.961 7.997 1.00 63.22 C ATOM 505 NE ARG A 30 2.410 0.417 9.250 1.00 21.20 N ATOM 506 CZ ARG A 30 1.628 1.084 10.063 1.00 71.11 C ATOM 507 NH1 ARG A 30 1.253 2.289 9.777 1.00 32.12 N ATOM 508 NH2 ARG A 30 1.219 0.547 11.165 1.00 62.12 N ATOM 0 H ARG A 30 3.257 0.086 4.229 1.00 54.22 H new ATOM 0 HA ARG A 30 4.195 -1.356 6.643 1.00 33.32 H new ATOM 0 HB2 ARG A 30 1.346 -1.025 5.636 1.00 22.02 H new ATOM 0 HB3 ARG A 30 1.874 -1.452 7.251 1.00 22.02 H new ATOM 0 HG2 ARG A 30 2.338 1.264 5.954 1.00 11.04 H new ATOM 0 HG3 ARG A 30 1.013 0.899 7.042 1.00 11.04 H new ATOM 0 HD2 ARG A 30 3.936 0.557 7.821 1.00 63.22 H new ATOM 0 HD3 ARG A 30 3.045 2.042 8.089 1.00 63.22 H new ATOM 0 HE ARG A 30 2.665 -0.537 9.505 1.00 21.20 H new ATOM 0 HH11 ARG A 30 1.566 2.729 8.912 1.00 32.12 H new ATOM 0 HH12 ARG A 30 0.644 2.799 10.417 1.00 32.12 H new ATOM 0 HH21 ARG A 30 1.505 -0.402 11.407 1.00 62.12 H new ATOM 0 HH22 ARG A 30 0.611 1.072 11.793 1.00 62.12 H new ATOM 522 N THR A 31 3.764 -3.697 5.829 1.00 13.23 N ATOM 523 CA THR A 31 3.753 -5.051 5.245 1.00 30.31 C ATOM 524 C THR A 31 2.479 -5.831 5.603 1.00 3.41 C ATOM 525 O THR A 31 2.156 -6.020 6.783 1.00 73.40 O ATOM 526 CB THR A 31 4.993 -5.873 5.676 1.00 41.40 C ATOM 527 OG1 THR A 31 5.074 -5.960 7.111 1.00 4.31 O ATOM 528 CG2 THR A 31 6.269 -5.242 5.126 1.00 53.32 C ATOM 0 H THR A 31 4.104 -3.656 6.790 1.00 13.23 H new ATOM 0 HA THR A 31 3.778 -4.908 4.165 1.00 30.31 H new ATOM 0 HB THR A 31 4.889 -6.879 5.269 1.00 41.40 H new ATOM 0 HG1 THR A 31 4.176 -6.087 7.482 1.00 4.31 H new ATOM 0 HG21 THR A 31 7.131 -5.832 5.438 1.00 53.32 H new ATOM 0 HG22 THR A 31 6.222 -5.216 4.037 1.00 53.32 H new ATOM 0 HG23 THR A 31 6.367 -4.226 5.509 1.00 53.32 H new ATOM 536 N VAL A 32 1.770 -6.290 4.571 1.00 72.22 N ATOM 537 CA VAL A 32 0.505 -7.018 4.725 1.00 75.12 C ATOM 538 C VAL A 32 0.585 -8.414 4.081 1.00 74.14 C ATOM 539 O VAL A 32 1.285 -8.609 3.085 1.00 42.23 O ATOM 540 CB VAL A 32 -0.659 -6.229 4.070 1.00 4.20 C ATOM 541 CG1 VAL A 32 -1.978 -6.994 4.172 1.00 42.11 C ATOM 542 CG2 VAL A 32 -0.789 -4.835 4.688 1.00 0.03 C ATOM 0 H VAL A 32 2.056 -6.168 3.600 1.00 72.22 H new ATOM 0 HA VAL A 32 0.320 -7.129 5.794 1.00 75.12 H new ATOM 0 HB VAL A 32 -0.425 -6.112 3.012 1.00 4.20 H new ATOM 0 HG11 VAL A 32 -2.773 -6.413 3.703 1.00 42.11 H new ATOM 0 HG12 VAL A 32 -1.882 -7.954 3.664 1.00 42.11 H new ATOM 0 HG13 VAL A 32 -2.221 -7.161 5.221 1.00 42.11 H new ATOM 0 HG21 VAL A 32 -1.612 -4.301 4.212 1.00 0.03 H new ATOM 0 HG22 VAL A 32 -0.986 -4.927 5.756 1.00 0.03 H new ATOM 0 HG23 VAL A 32 0.138 -4.282 4.536 1.00 0.03 H new ATOM 552 N LYS A 33 -0.121 -9.390 4.655 1.00 13.23 N ATOM 553 CA LYS A 33 -0.172 -10.746 4.089 1.00 13.33 C ATOM 554 C LYS A 33 -1.618 -11.252 3.908 1.00 71.32 C ATOM 555 O LYS A 33 -1.913 -11.968 2.952 1.00 61.31 O ATOM 556 CB LYS A 33 0.611 -11.716 4.974 1.00 31.22 C ATOM 557 CG LYS A 33 2.095 -11.393 5.059 1.00 52.42 C ATOM 558 CD LYS A 33 2.843 -12.355 5.975 1.00 72.54 C ATOM 559 CE LYS A 33 2.630 -12.036 7.456 1.00 73.30 C ATOM 560 NZ LYS A 33 1.205 -12.154 7.877 1.00 44.54 N ATOM 0 H LYS A 33 -0.665 -9.271 5.509 1.00 13.23 H new ATOM 0 HA LYS A 33 0.284 -10.699 3.100 1.00 13.33 H new ATOM 0 HB2 LYS A 33 0.186 -11.704 5.978 1.00 31.22 H new ATOM 0 HB3 LYS A 33 0.489 -12.728 4.588 1.00 31.22 H new ATOM 0 HG2 LYS A 33 2.531 -11.432 4.061 1.00 52.42 H new ATOM 0 HG3 LYS A 33 2.223 -10.374 5.423 1.00 52.42 H new ATOM 0 HD2 LYS A 33 2.512 -13.374 5.775 1.00 72.54 H new ATOM 0 HD3 LYS A 33 3.908 -12.315 5.747 1.00 72.54 H new ATOM 0 HE2 LYS A 33 3.238 -12.710 8.059 1.00 73.30 H new ATOM 0 HE3 LYS A 33 2.980 -11.024 7.658 1.00 73.30 H new ATOM 0 HZ1 LYS A 33 1.158 -12.299 8.906 1.00 44.54 H new ATOM 0 HZ2 LYS A 33 0.696 -11.283 7.626 1.00 44.54 H new ATOM 0 HZ3 LYS A 33 0.766 -12.963 7.393 1.00 44.54 H new ATOM 574 N THR A 34 -2.510 -10.903 4.842 1.00 2.24 N ATOM 575 CA THR A 34 -3.917 -11.355 4.787 1.00 5.25 C ATOM 576 C THR A 34 -4.911 -10.182 4.894 1.00 0.45 C ATOM 577 O THR A 34 -4.516 -9.036 5.125 1.00 52.11 O ATOM 578 CB THR A 34 -4.230 -12.361 5.922 1.00 63.41 C ATOM 579 OG1 THR A 34 -4.162 -11.706 7.199 1.00 72.51 O ATOM 580 CG2 THR A 34 -3.255 -13.534 5.902 1.00 5.12 C ATOM 0 H THR A 34 -2.290 -10.312 5.644 1.00 2.24 H new ATOM 0 HA THR A 34 -4.038 -11.837 3.817 1.00 5.25 H new ATOM 0 HB THR A 34 -5.238 -12.743 5.760 1.00 63.41 H new ATOM 0 HG1 THR A 34 -3.239 -11.430 7.376 1.00 72.51 H new ATOM 0 HG21 THR A 34 -3.499 -14.224 6.710 1.00 5.12 H new ATOM 0 HG22 THR A 34 -3.330 -14.053 4.946 1.00 5.12 H new ATOM 0 HG23 THR A 34 -2.238 -13.164 6.035 1.00 5.12 H new ATOM 588 N GLU A 35 -6.212 -10.484 4.744 1.00 41.43 N ATOM 589 CA GLU A 35 -7.271 -9.457 4.793 1.00 32.04 C ATOM 590 C GLU A 35 -7.262 -8.666 6.114 1.00 32.22 C ATOM 591 O GLU A 35 -7.258 -7.434 6.101 1.00 42.13 O ATOM 592 CB GLU A 35 -8.660 -10.092 4.587 1.00 64.20 C ATOM 593 CG GLU A 35 -9.813 -9.090 4.700 1.00 31.02 C ATOM 594 CD GLU A 35 -11.188 -9.732 4.574 1.00 73.42 C ATOM 595 OE1 GLU A 35 -11.571 -10.512 5.473 1.00 72.51 O ATOM 596 OE2 GLU A 35 -11.900 -9.453 3.589 1.00 62.30 O ATOM 0 H GLU A 35 -6.557 -11.431 4.588 1.00 41.43 H new ATOM 0 HA GLU A 35 -7.062 -8.760 3.982 1.00 32.04 H new ATOM 0 HB2 GLU A 35 -8.693 -10.563 3.604 1.00 64.20 H new ATOM 0 HB3 GLU A 35 -8.802 -10.882 5.324 1.00 64.20 H new ATOM 0 HG2 GLU A 35 -9.746 -8.578 5.660 1.00 31.02 H new ATOM 0 HG3 GLU A 35 -9.702 -8.331 3.925 1.00 31.02 H new ATOM 603 N ASP A 36 -7.260 -9.375 7.248 1.00 35.14 N ATOM 604 CA ASP A 36 -7.285 -8.723 8.567 1.00 63.33 C ATOM 605 C ASP A 36 -6.127 -7.725 8.713 1.00 33.40 C ATOM 606 O ASP A 36 -6.290 -6.649 9.291 1.00 13.42 O ATOM 607 CB ASP A 36 -7.227 -9.771 9.684 1.00 14.55 C ATOM 608 CG ASP A 36 -7.372 -9.157 11.070 1.00 32.12 C ATOM 609 OD1 ASP A 36 -8.518 -8.877 11.484 1.00 53.14 O ATOM 610 OD2 ASP A 36 -6.348 -8.951 11.749 1.00 42.31 O ATOM 0 H ASP A 36 -7.241 -10.394 7.282 1.00 35.14 H new ATOM 0 HA ASP A 36 -8.221 -8.171 8.651 1.00 63.33 H new ATOM 0 HB2 ASP A 36 -8.019 -10.504 9.531 1.00 14.55 H new ATOM 0 HB3 ASP A 36 -6.280 -10.307 9.625 1.00 14.55 H new ATOM 615 N GLU A 37 -4.966 -8.087 8.172 1.00 53.42 N ATOM 616 CA GLU A 37 -3.801 -7.200 8.167 1.00 74.43 C ATOM 617 C GLU A 37 -4.072 -5.922 7.352 1.00 24.24 C ATOM 618 O GLU A 37 -3.917 -4.815 7.861 1.00 51.41 O ATOM 619 CB GLU A 37 -2.578 -7.942 7.613 1.00 30.53 C ATOM 620 CG GLU A 37 -2.095 -9.081 8.504 1.00 70.03 C ATOM 621 CD GLU A 37 -1.032 -9.936 7.837 1.00 74.42 C ATOM 622 OE1 GLU A 37 0.115 -9.471 7.688 1.00 1.52 O ATOM 623 OE2 GLU A 37 -1.343 -11.070 7.430 1.00 34.10 O ATOM 0 H GLU A 37 -4.805 -8.992 7.729 1.00 53.42 H new ATOM 0 HA GLU A 37 -3.599 -6.899 9.195 1.00 74.43 H new ATOM 0 HB2 GLU A 37 -2.822 -8.341 6.629 1.00 30.53 H new ATOM 0 HB3 GLU A 37 -1.764 -7.230 7.476 1.00 30.53 H new ATOM 0 HG2 GLU A 37 -1.695 -8.668 9.430 1.00 70.03 H new ATOM 0 HG3 GLU A 37 -2.943 -9.709 8.776 1.00 70.03 H new ATOM 630 N LEU A 38 -4.493 -6.075 6.096 1.00 4.43 N ATOM 631 CA LEU A 38 -4.807 -4.918 5.239 1.00 63.25 C ATOM 632 C LEU A 38 -5.825 -3.996 5.944 1.00 2.30 C ATOM 633 O LEU A 38 -5.634 -2.779 6.034 1.00 21.01 O ATOM 634 CB LEU A 38 -5.348 -5.414 3.880 1.00 4.33 C ATOM 635 CG LEU A 38 -5.244 -4.434 2.687 1.00 54.51 C ATOM 636 CD1 LEU A 38 -6.175 -3.236 2.849 1.00 35.25 C ATOM 637 CD2 LEU A 38 -3.801 -3.972 2.491 1.00 20.42 C ATOM 0 H LEU A 38 -4.626 -6.981 5.646 1.00 4.43 H new ATOM 0 HA LEU A 38 -3.901 -4.339 5.059 1.00 63.25 H new ATOM 0 HB2 LEU A 38 -4.816 -6.328 3.616 1.00 4.33 H new ATOM 0 HB3 LEU A 38 -6.397 -5.682 4.009 1.00 4.33 H new ATOM 0 HG LEU A 38 -5.562 -4.975 1.796 1.00 54.51 H new ATOM 0 HD11 LEU A 38 -6.069 -2.574 1.989 1.00 35.25 H new ATOM 0 HD12 LEU A 38 -7.206 -3.583 2.915 1.00 35.25 H new ATOM 0 HD13 LEU A 38 -5.915 -2.694 3.758 1.00 35.25 H new ATOM 0 HD21 LEU A 38 -3.751 -3.284 1.647 1.00 20.42 H new ATOM 0 HD22 LEU A 38 -3.455 -3.467 3.393 1.00 20.42 H new ATOM 0 HD23 LEU A 38 -3.166 -4.836 2.293 1.00 20.42 H new ATOM 649 N LYS A 39 -6.892 -4.603 6.462 1.00 31.31 N ATOM 650 CA LYS A 39 -7.899 -3.898 7.262 1.00 31.23 C ATOM 651 C LYS A 39 -7.274 -3.211 8.489 1.00 32.03 C ATOM 652 O LYS A 39 -7.631 -2.084 8.828 1.00 53.25 O ATOM 653 CB LYS A 39 -8.976 -4.900 7.706 1.00 21.04 C ATOM 654 CG LYS A 39 -9.976 -4.350 8.718 1.00 44.13 C ATOM 655 CD LYS A 39 -11.055 -5.377 9.060 1.00 32.54 C ATOM 656 CE LYS A 39 -10.463 -6.671 9.618 1.00 12.44 C ATOM 657 NZ LYS A 39 -9.773 -6.462 10.920 1.00 72.43 N ATOM 0 H LYS A 39 -7.085 -5.597 6.340 1.00 31.31 H new ATOM 0 HA LYS A 39 -8.345 -3.117 6.646 1.00 31.23 H new ATOM 0 HB2 LYS A 39 -9.520 -5.242 6.826 1.00 21.04 H new ATOM 0 HB3 LYS A 39 -8.486 -5.773 8.137 1.00 21.04 H new ATOM 0 HG2 LYS A 39 -9.451 -4.057 9.627 1.00 44.13 H new ATOM 0 HG3 LYS A 39 -10.443 -3.451 8.316 1.00 44.13 H new ATOM 0 HD2 LYS A 39 -11.743 -4.950 9.790 1.00 32.54 H new ATOM 0 HD3 LYS A 39 -11.637 -5.601 8.166 1.00 32.54 H new ATOM 0 HE2 LYS A 39 -11.258 -7.406 9.745 1.00 12.44 H new ATOM 0 HE3 LYS A 39 -9.757 -7.085 8.898 1.00 12.44 H new ATOM 0 HZ1 LYS A 39 -9.477 -7.381 11.308 1.00 72.43 H new ATOM 0 HZ2 LYS A 39 -8.936 -5.861 10.777 1.00 72.43 H new ATOM 0 HZ3 LYS A 39 -10.423 -5.998 11.587 1.00 72.43 H new ATOM 671 N LYS A 40 -6.330 -3.898 9.136 1.00 63.42 N ATOM 672 CA LYS A 40 -5.671 -3.391 10.352 1.00 30.35 C ATOM 673 C LYS A 40 -5.121 -1.976 10.146 1.00 74.45 C ATOM 674 O LYS A 40 -5.409 -1.054 10.914 1.00 51.54 O ATOM 675 CB LYS A 40 -4.502 -4.312 10.729 1.00 54.01 C ATOM 676 CG LYS A 40 -4.017 -4.145 12.164 1.00 64.34 C ATOM 677 CD LYS A 40 -4.960 -4.832 13.144 1.00 52.20 C ATOM 678 CE LYS A 40 -5.018 -6.333 12.884 1.00 23.45 C ATOM 679 NZ LYS A 40 -6.016 -7.014 13.748 1.00 1.12 N ATOM 0 H LYS A 40 -5.999 -4.816 8.838 1.00 63.42 H new ATOM 0 HA LYS A 40 -6.418 -3.368 11.145 1.00 30.35 H new ATOM 0 HB2 LYS A 40 -4.806 -5.348 10.578 1.00 54.01 H new ATOM 0 HB3 LYS A 40 -3.670 -4.122 10.051 1.00 54.01 H new ATOM 0 HG2 LYS A 40 -3.015 -4.563 12.264 1.00 64.34 H new ATOM 0 HG3 LYS A 40 -3.945 -3.085 12.406 1.00 64.34 H new ATOM 0 HD2 LYS A 40 -4.626 -4.649 14.165 1.00 52.20 H new ATOM 0 HD3 LYS A 40 -5.959 -4.405 13.054 1.00 52.20 H new ATOM 0 HE2 LYS A 40 -5.266 -6.509 11.837 1.00 23.45 H new ATOM 0 HE3 LYS A 40 -4.034 -6.768 13.056 1.00 23.45 H new ATOM 0 HZ1 LYS A 40 -6.384 -7.854 13.258 1.00 1.12 H new ATOM 0 HZ2 LYS A 40 -5.564 -7.303 14.639 1.00 1.12 H new ATOM 0 HZ3 LYS A 40 -6.800 -6.362 13.953 1.00 1.12 H new ATOM 693 N TYR A 41 -4.329 -1.817 9.095 1.00 30.31 N ATOM 694 CA TYR A 41 -3.691 -0.538 8.798 1.00 34.30 C ATOM 695 C TYR A 41 -4.724 0.511 8.375 1.00 14.32 C ATOM 696 O TYR A 41 -4.613 1.681 8.736 1.00 65.40 O ATOM 697 CB TYR A 41 -2.622 -0.726 7.716 1.00 23.03 C ATOM 698 CG TYR A 41 -1.562 -1.743 8.107 1.00 61.54 C ATOM 699 CD1 TYR A 41 -0.414 -1.359 8.788 1.00 23.22 C ATOM 700 CD2 TYR A 41 -1.721 -3.087 7.806 1.00 14.35 C ATOM 701 CE1 TYR A 41 0.543 -2.287 9.154 1.00 22.13 C ATOM 702 CE2 TYR A 41 -0.771 -4.021 8.171 1.00 52.41 C ATOM 703 CZ TYR A 41 0.360 -3.616 8.842 1.00 72.11 C ATOM 704 OH TYR A 41 1.315 -4.544 9.200 1.00 62.31 O ATOM 0 H TYR A 41 -4.111 -2.559 8.430 1.00 30.31 H new ATOM 0 HA TYR A 41 -3.209 -0.172 9.705 1.00 34.30 H new ATOM 0 HB2 TYR A 41 -3.101 -1.044 6.790 1.00 23.03 H new ATOM 0 HB3 TYR A 41 -2.143 0.232 7.514 1.00 23.03 H new ATOM 0 HD1 TYR A 41 -0.267 -0.318 9.036 1.00 23.22 H new ATOM 0 HD2 TYR A 41 -2.605 -3.410 7.276 1.00 14.35 H new ATOM 0 HE1 TYR A 41 1.430 -1.971 9.682 1.00 22.13 H new ATOM 0 HE2 TYR A 41 -0.915 -5.064 7.931 1.00 52.41 H new ATOM 0 HH TYR A 41 1.590 -5.052 8.409 1.00 62.31 H new ATOM 714 N LEU A 42 -5.742 0.084 7.626 1.00 73.13 N ATOM 715 CA LEU A 42 -6.838 0.980 7.237 1.00 54.24 C ATOM 716 C LEU A 42 -7.557 1.549 8.472 1.00 24.12 C ATOM 717 O LEU A 42 -7.926 2.726 8.498 1.00 54.32 O ATOM 718 CB LEU A 42 -7.841 0.256 6.328 1.00 11.51 C ATOM 719 CG LEU A 42 -7.299 -0.188 4.960 1.00 41.15 C ATOM 720 CD1 LEU A 42 -8.404 -0.846 4.139 1.00 14.21 C ATOM 721 CD2 LEU A 42 -6.695 0.995 4.200 1.00 21.53 C ATOM 0 H LEU A 42 -5.833 -0.870 7.277 1.00 73.13 H new ATOM 0 HA LEU A 42 -6.401 1.810 6.682 1.00 54.24 H new ATOM 0 HB2 LEU A 42 -8.212 -0.624 6.854 1.00 11.51 H new ATOM 0 HB3 LEU A 42 -8.695 0.913 6.164 1.00 11.51 H new ATOM 0 HG LEU A 42 -6.508 -0.919 5.128 1.00 41.15 H new ATOM 0 HD11 LEU A 42 -8.005 -1.155 3.173 1.00 14.21 H new ATOM 0 HD12 LEU A 42 -8.782 -1.719 4.671 1.00 14.21 H new ATOM 0 HD13 LEU A 42 -9.216 -0.135 3.985 1.00 14.21 H new ATOM 0 HD21 LEU A 42 -6.319 0.654 3.236 1.00 21.53 H new ATOM 0 HD22 LEU A 42 -7.460 1.755 4.043 1.00 21.53 H new ATOM 0 HD23 LEU A 42 -5.875 1.420 4.780 1.00 21.53 H new ATOM 733 N GLU A 43 -7.748 0.712 9.497 1.00 41.40 N ATOM 734 CA GLU A 43 -8.344 1.159 10.764 1.00 21.14 C ATOM 735 C GLU A 43 -7.507 2.283 11.393 1.00 31.01 C ATOM 736 O GLU A 43 -8.045 3.251 11.931 1.00 75.31 O ATOM 737 CB GLU A 43 -8.465 -0.011 11.755 1.00 51.32 C ATOM 738 CG GLU A 43 -9.365 -1.145 11.279 1.00 3.04 C ATOM 739 CD GLU A 43 -9.491 -2.267 12.301 1.00 51.43 C ATOM 740 OE1 GLU A 43 -8.502 -2.996 12.518 1.00 73.22 O ATOM 741 OE2 GLU A 43 -10.580 -2.423 12.900 1.00 21.44 O ATOM 0 H GLU A 43 -7.500 -0.277 9.476 1.00 41.40 H new ATOM 0 HA GLU A 43 -9.341 1.540 10.545 1.00 21.14 H new ATOM 0 HB2 GLU A 43 -7.470 -0.410 11.951 1.00 51.32 H new ATOM 0 HB3 GLU A 43 -8.848 0.368 12.702 1.00 51.32 H new ATOM 0 HG2 GLU A 43 -10.356 -0.748 11.058 1.00 3.04 H new ATOM 0 HG3 GLU A 43 -8.969 -1.551 10.348 1.00 3.04 H new ATOM 748 N GLU A 44 -6.187 2.143 11.322 1.00 3.22 N ATOM 749 CA GLU A 44 -5.268 3.182 11.795 1.00 21.12 C ATOM 750 C GLU A 44 -5.349 4.434 10.903 1.00 43.41 C ATOM 751 O GLU A 44 -5.329 5.565 11.391 1.00 1.44 O ATOM 752 CB GLU A 44 -3.836 2.631 11.832 1.00 5.03 C ATOM 753 CG GLU A 44 -2.780 3.643 12.263 1.00 53.22 C ATOM 754 CD GLU A 44 -1.419 3.003 12.492 1.00 61.23 C ATOM 755 OE1 GLU A 44 -0.744 2.654 11.504 1.00 34.32 O ATOM 756 OE2 GLU A 44 -1.024 2.837 13.666 1.00 11.21 O ATOM 0 H GLU A 44 -5.725 1.318 10.940 1.00 3.22 H new ATOM 0 HA GLU A 44 -5.559 3.475 12.804 1.00 21.12 H new ATOM 0 HB2 GLU A 44 -3.805 1.780 12.513 1.00 5.03 H new ATOM 0 HB3 GLU A 44 -3.579 2.256 10.841 1.00 5.03 H new ATOM 0 HG2 GLU A 44 -2.690 4.417 11.501 1.00 53.22 H new ATOM 0 HG3 GLU A 44 -3.105 4.135 13.180 1.00 53.22 H new ATOM 763 N PHE A 45 -5.473 4.222 9.594 1.00 32.11 N ATOM 764 CA PHE A 45 -5.601 5.330 8.638 1.00 25.53 C ATOM 765 C PHE A 45 -6.922 6.092 8.840 1.00 24.12 C ATOM 766 O PHE A 45 -7.046 7.254 8.452 1.00 65.15 O ATOM 767 CB PHE A 45 -5.504 4.813 7.196 1.00 1.31 C ATOM 768 CG PHE A 45 -4.227 4.058 6.900 1.00 54.20 C ATOM 769 CD1 PHE A 45 -3.083 4.250 7.669 1.00 63.31 C ATOM 770 CD2 PHE A 45 -4.174 3.146 5.855 1.00 40.45 C ATOM 771 CE1 PHE A 45 -1.922 3.549 7.400 1.00 42.34 C ATOM 772 CE2 PHE A 45 -3.015 2.445 5.585 1.00 3.25 C ATOM 773 CZ PHE A 45 -1.889 2.646 6.358 1.00 30.00 C ATOM 0 H PHE A 45 -5.488 3.296 9.168 1.00 32.11 H new ATOM 0 HA PHE A 45 -4.779 6.022 8.821 1.00 25.53 H new ATOM 0 HB2 PHE A 45 -6.354 4.161 6.996 1.00 1.31 H new ATOM 0 HB3 PHE A 45 -5.582 5.658 6.512 1.00 1.31 H new ATOM 0 HD1 PHE A 45 -3.102 4.956 8.486 1.00 63.31 H new ATOM 0 HD2 PHE A 45 -5.050 2.982 5.245 1.00 40.45 H new ATOM 0 HE1 PHE A 45 -1.042 3.708 8.005 1.00 42.34 H new ATOM 0 HE2 PHE A 45 -2.990 1.739 4.768 1.00 3.25 H new ATOM 0 HZ PHE A 45 -0.983 2.097 6.147 1.00 30.00 H new ATOM 783 N ARG A 46 -7.912 5.425 9.436 1.00 23.21 N ATOM 784 CA ARG A 46 -9.167 6.082 9.827 1.00 65.44 C ATOM 785 C ARG A 46 -8.912 7.158 10.898 1.00 71.55 C ATOM 786 O ARG A 46 -9.665 8.126 11.019 1.00 50.01 O ATOM 787 CB ARG A 46 -10.174 5.045 10.357 1.00 43.23 C ATOM 788 CG ARG A 46 -10.688 4.057 9.306 1.00 61.41 C ATOM 789 CD ARG A 46 -11.784 4.661 8.427 1.00 51.21 C ATOM 790 NE ARG A 46 -11.310 5.772 7.603 1.00 12.55 N ATOM 791 CZ ARG A 46 -12.098 6.648 7.033 1.00 62.44 C ATOM 792 NH1 ARG A 46 -13.381 6.593 7.201 1.00 12.24 N ATOM 793 NH2 ARG A 46 -11.605 7.583 6.293 1.00 52.23 N ATOM 0 H ARG A 46 -7.872 4.431 9.660 1.00 23.21 H new ATOM 0 HA ARG A 46 -9.585 6.564 8.943 1.00 65.44 H new ATOM 0 HB2 ARG A 46 -9.705 4.484 11.165 1.00 43.23 H new ATOM 0 HB3 ARG A 46 -11.025 5.572 10.787 1.00 43.23 H new ATOM 0 HG2 ARG A 46 -9.858 3.735 8.677 1.00 61.41 H new ATOM 0 HG3 ARG A 46 -11.074 3.168 9.805 1.00 61.41 H new ATOM 0 HD2 ARG A 46 -12.192 3.884 7.780 1.00 51.21 H new ATOM 0 HD3 ARG A 46 -12.600 5.009 9.061 1.00 51.21 H new ATOM 0 HE ARG A 46 -10.304 5.870 7.464 1.00 12.55 H new ATOM 0 HH11 ARG A 46 -13.788 5.861 7.783 1.00 12.24 H new ATOM 0 HH12 ARG A 46 -13.984 7.282 6.751 1.00 12.24 H new ATOM 0 HH21 ARG A 46 -10.597 7.642 6.150 1.00 52.23 H new ATOM 0 HH22 ARG A 46 -12.223 8.263 5.851 1.00 52.23 H new ATOM 807 N LYS A 47 -7.839 6.978 11.663 1.00 0.34 N ATOM 808 CA LYS A 47 -7.453 7.930 12.710 1.00 4.35 C ATOM 809 C LYS A 47 -6.750 9.160 12.103 1.00 3.53 C ATOM 810 O LYS A 47 -6.938 10.290 12.562 1.00 40.22 O ATOM 811 CB LYS A 47 -6.539 7.236 13.732 1.00 73.31 C ATOM 812 CG LYS A 47 -7.135 5.950 14.305 1.00 51.12 C ATOM 813 CD LYS A 47 -6.170 5.230 15.247 1.00 0.11 C ATOM 814 CE LYS A 47 -5.914 6.021 16.526 1.00 13.44 C ATOM 815 NZ LYS A 47 -7.129 6.112 17.377 1.00 20.32 N ATOM 0 H LYS A 47 -7.214 6.176 11.579 1.00 0.34 H new ATOM 0 HA LYS A 47 -8.354 8.276 13.216 1.00 4.35 H new ATOM 0 HB2 LYS A 47 -5.585 7.006 13.258 1.00 73.31 H new ATOM 0 HB3 LYS A 47 -6.330 7.926 14.549 1.00 73.31 H new ATOM 0 HG2 LYS A 47 -8.054 6.186 14.842 1.00 51.12 H new ATOM 0 HG3 LYS A 47 -7.406 5.282 13.487 1.00 51.12 H new ATOM 0 HD2 LYS A 47 -6.577 4.252 15.502 1.00 0.11 H new ATOM 0 HD3 LYS A 47 -5.224 5.058 14.733 1.00 0.11 H new ATOM 0 HE2 LYS A 47 -5.111 5.547 17.090 1.00 13.44 H new ATOM 0 HE3 LYS A 47 -5.575 7.025 16.270 1.00 13.44 H new ATOM 0 HZ1 LYS A 47 -6.871 6.490 18.311 1.00 20.32 H new ATOM 0 HZ2 LYS A 47 -7.822 6.744 16.927 1.00 20.32 H new ATOM 0 HZ3 LYS A 47 -7.546 5.166 17.490 1.00 20.32 H new ATOM 829 N GLU A 48 -5.941 8.932 11.062 1.00 12.14 N ATOM 830 CA GLU A 48 -5.300 10.027 10.312 1.00 53.20 C ATOM 831 C GLU A 48 -6.170 10.495 9.133 1.00 0.23 C ATOM 832 O GLU A 48 -5.704 11.243 8.273 1.00 2.21 O ATOM 833 CB GLU A 48 -3.915 9.603 9.783 1.00 22.12 C ATOM 834 CG GLU A 48 -2.812 9.564 10.838 1.00 35.14 C ATOM 835 CD GLU A 48 -2.972 8.444 11.850 1.00 62.33 C ATOM 836 OE1 GLU A 48 -2.524 7.316 11.568 1.00 3.32 O ATOM 837 OE2 GLU A 48 -3.518 8.692 12.945 1.00 74.12 O ATOM 0 H GLU A 48 -5.712 8.000 10.717 1.00 12.14 H new ATOM 0 HA GLU A 48 -5.181 10.856 11.010 1.00 53.20 H new ATOM 0 HB2 GLU A 48 -4.001 8.615 9.331 1.00 22.12 H new ATOM 0 HB3 GLU A 48 -3.618 10.291 8.992 1.00 22.12 H new ATOM 0 HG2 GLU A 48 -1.849 9.456 10.339 1.00 35.14 H new ATOM 0 HG3 GLU A 48 -2.793 10.518 11.365 1.00 35.14 H new ATOM 844 N SER A 49 -7.441 10.086 9.124 1.00 51.40 N ATOM 845 CA SER A 49 -8.381 10.397 8.025 1.00 70.23 C ATOM 846 C SER A 49 -8.453 11.897 7.705 1.00 20.04 C ATOM 847 O SER A 49 -8.867 12.284 6.613 1.00 52.22 O ATOM 848 CB SER A 49 -9.783 9.901 8.388 1.00 64.52 C ATOM 849 OG SER A 49 -10.231 10.493 9.599 1.00 63.43 O ATOM 0 H SER A 49 -7.854 9.531 9.873 1.00 51.40 H new ATOM 0 HA SER A 49 -8.005 9.888 7.138 1.00 70.23 H new ATOM 0 HB2 SER A 49 -10.478 10.140 7.583 1.00 64.52 H new ATOM 0 HB3 SER A 49 -9.774 8.816 8.490 1.00 64.52 H new ATOM 0 HG SER A 49 -10.145 9.846 10.330 1.00 63.43 H new ATOM 855 N GLN A 50 -8.052 12.730 8.662 1.00 43.42 N ATOM 856 CA GLN A 50 -8.125 14.186 8.510 1.00 22.30 C ATOM 857 C GLN A 50 -7.319 14.670 7.287 1.00 13.32 C ATOM 858 O GLN A 50 -7.798 15.489 6.499 1.00 63.45 O ATOM 859 CB GLN A 50 -7.616 14.865 9.792 1.00 65.22 C ATOM 860 CG GLN A 50 -8.213 14.285 11.074 1.00 71.40 C ATOM 861 CD GLN A 50 -9.734 14.347 11.109 1.00 63.02 C ATOM 862 OE1 GLN A 50 -10.322 15.325 11.562 1.00 35.25 O ATOM 863 NE2 GLN A 50 -10.387 13.299 10.639 1.00 21.03 N ATOM 0 H GLN A 50 -7.671 12.422 9.557 1.00 43.42 H new ATOM 0 HA GLN A 50 -9.167 14.460 8.343 1.00 22.30 H new ATOM 0 HB2 GLN A 50 -6.531 14.774 9.834 1.00 65.22 H new ATOM 0 HB3 GLN A 50 -7.845 15.930 9.744 1.00 65.22 H new ATOM 0 HG2 GLN A 50 -7.896 13.247 11.178 1.00 71.40 H new ATOM 0 HG3 GLN A 50 -7.814 14.828 11.931 1.00 71.40 H new ATOM 0 HE21 GLN A 50 -9.871 12.501 10.269 1.00 21.03 H new ATOM 0 HE22 GLN A 50 -11.407 13.288 10.646 1.00 21.03 H new ATOM 872 N ASN A 51 -6.090 14.169 7.148 1.00 53.41 N ATOM 873 CA ASN A 51 -5.239 14.468 5.981 1.00 54.41 C ATOM 874 C ASN A 51 -4.393 13.238 5.620 1.00 13.32 C ATOM 875 O ASN A 51 -3.330 13.032 6.205 1.00 44.13 O ATOM 876 CB ASN A 51 -4.289 15.646 6.268 1.00 42.33 C ATOM 877 CG ASN A 51 -4.963 16.822 6.942 1.00 14.42 C ATOM 878 OD1 ASN A 51 -5.499 17.714 6.291 1.00 0.33 O ATOM 879 ND2 ASN A 51 -4.923 16.841 8.258 1.00 45.12 N ATOM 0 H ASN A 51 -5.654 13.550 7.831 1.00 53.41 H new ATOM 0 HA ASN A 51 -5.897 14.734 5.154 1.00 54.41 H new ATOM 0 HB2 ASN A 51 -3.472 15.297 6.899 1.00 42.33 H new ATOM 0 HB3 ASN A 51 -3.847 15.981 5.330 1.00 42.33 H new ATOM 0 HD21 ASN A 51 -5.346 17.615 8.770 1.00 45.12 H new ATOM 0 HD22 ASN A 51 -4.469 16.082 8.765 1.00 45.12 H new ATOM 886 N ILE A 52 -4.844 12.419 4.673 1.00 52.53 N ATOM 887 CA ILE A 52 -4.119 11.183 4.357 1.00 2.14 C ATOM 888 C ILE A 52 -4.447 10.620 2.965 1.00 22.34 C ATOM 889 O ILE A 52 -5.589 10.676 2.506 1.00 45.31 O ATOM 890 CB ILE A 52 -4.409 10.096 5.429 1.00 45.02 C ATOM 891 CG1 ILE A 52 -3.542 8.849 5.196 1.00 23.15 C ATOM 892 CG2 ILE A 52 -5.895 9.727 5.436 1.00 35.15 C ATOM 893 CD1 ILE A 52 -3.715 7.782 6.254 1.00 74.22 C ATOM 0 H ILE A 52 -5.687 12.579 4.121 1.00 52.53 H new ATOM 0 HA ILE A 52 -3.062 11.447 4.358 1.00 2.14 H new ATOM 0 HB ILE A 52 -4.153 10.508 6.405 1.00 45.02 H new ATOM 0 HG12 ILE A 52 -3.785 8.425 4.222 1.00 23.15 H new ATOM 0 HG13 ILE A 52 -2.494 9.147 5.161 1.00 23.15 H new ATOM 0 HG21 ILE A 52 -6.077 8.965 6.193 1.00 35.15 H new ATOM 0 HG22 ILE A 52 -6.489 10.613 5.663 1.00 35.15 H new ATOM 0 HG23 ILE A 52 -6.179 9.341 4.457 1.00 35.15 H new ATOM 0 HD11 ILE A 52 -3.072 6.933 6.023 1.00 74.22 H new ATOM 0 HD12 ILE A 52 -3.443 8.188 7.228 1.00 74.22 H new ATOM 0 HD13 ILE A 52 -4.755 7.455 6.274 1.00 74.22 H new ATOM 905 N LYS A 53 -3.421 10.095 2.293 1.00 72.33 N ATOM 906 CA LYS A 53 -3.603 9.313 1.063 1.00 40.53 C ATOM 907 C LYS A 53 -2.928 7.940 1.216 1.00 72.52 C ATOM 908 O LYS A 53 -1.810 7.845 1.729 1.00 41.02 O ATOM 909 CB LYS A 53 -3.012 10.036 -0.158 1.00 74.31 C ATOM 910 CG LYS A 53 -3.494 11.473 -0.340 1.00 52.11 C ATOM 911 CD LYS A 53 -3.047 12.055 -1.682 1.00 72.25 C ATOM 912 CE LYS A 53 -3.667 11.305 -2.856 1.00 43.53 C ATOM 913 NZ LYS A 53 -3.196 11.825 -4.167 1.00 73.13 N ATOM 0 H LYS A 53 -2.448 10.197 2.580 1.00 72.33 H new ATOM 0 HA LYS A 53 -4.674 9.189 0.902 1.00 40.53 H new ATOM 0 HB2 LYS A 53 -1.925 10.039 -0.071 1.00 74.31 H new ATOM 0 HB3 LYS A 53 -3.258 9.468 -1.055 1.00 74.31 H new ATOM 0 HG2 LYS A 53 -4.582 11.503 -0.275 1.00 52.11 H new ATOM 0 HG3 LYS A 53 -3.109 12.091 0.471 1.00 52.11 H new ATOM 0 HD2 LYS A 53 -3.327 13.107 -1.734 1.00 72.25 H new ATOM 0 HD3 LYS A 53 -1.960 12.010 -1.754 1.00 72.25 H new ATOM 0 HE2 LYS A 53 -3.422 10.246 -2.778 1.00 43.53 H new ATOM 0 HE3 LYS A 53 -4.753 11.386 -2.804 1.00 43.53 H new ATOM 0 HZ1 LYS A 53 -3.643 11.286 -4.935 1.00 73.13 H new ATOM 0 HZ2 LYS A 53 -3.452 12.829 -4.254 1.00 73.13 H new ATOM 0 HZ3 LYS A 53 -2.163 11.724 -4.229 1.00 73.13 H new ATOM 927 N VAL A 54 -3.605 6.879 0.780 1.00 15.03 N ATOM 928 CA VAL A 54 -3.058 5.520 0.895 1.00 14.21 C ATOM 929 C VAL A 54 -2.744 4.902 -0.479 1.00 4.33 C ATOM 930 O VAL A 54 -3.520 5.023 -1.431 1.00 71.10 O ATOM 931 CB VAL A 54 -4.039 4.595 1.659 1.00 24.15 C ATOM 932 CG1 VAL A 54 -3.462 3.190 1.832 1.00 33.14 C ATOM 933 CG2 VAL A 54 -4.405 5.203 3.012 1.00 11.35 C ATOM 0 H VAL A 54 -4.527 6.929 0.346 1.00 15.03 H new ATOM 0 HA VAL A 54 -2.125 5.606 1.452 1.00 14.21 H new ATOM 0 HB VAL A 54 -4.947 4.506 1.063 1.00 24.15 H new ATOM 0 HG11 VAL A 54 -4.176 2.568 2.372 1.00 33.14 H new ATOM 0 HG12 VAL A 54 -3.268 2.753 0.852 1.00 33.14 H new ATOM 0 HG13 VAL A 54 -2.531 3.246 2.395 1.00 33.14 H new ATOM 0 HG21 VAL A 54 -5.095 4.540 3.534 1.00 11.35 H new ATOM 0 HG22 VAL A 54 -3.502 5.331 3.609 1.00 11.35 H new ATOM 0 HG23 VAL A 54 -4.880 6.172 2.859 1.00 11.35 H new ATOM 943 N LEU A 55 -1.584 4.262 -0.582 1.00 14.40 N ATOM 944 CA LEU A 55 -1.204 3.503 -1.780 1.00 1.23 C ATOM 945 C LEU A 55 -1.188 2.000 -1.468 1.00 44.54 C ATOM 946 O LEU A 55 -0.702 1.595 -0.416 1.00 54.45 O ATOM 947 CB LEU A 55 0.182 3.949 -2.269 1.00 11.05 C ATOM 948 CG LEU A 55 0.670 3.291 -3.571 1.00 52.23 C ATOM 949 CD1 LEU A 55 -0.227 3.673 -4.748 1.00 73.31 C ATOM 950 CD2 LEU A 55 2.123 3.666 -3.851 1.00 32.54 C ATOM 0 H LEU A 55 -0.880 4.251 0.156 1.00 14.40 H new ATOM 0 HA LEU A 55 -1.936 3.695 -2.564 1.00 1.23 H new ATOM 0 HB2 LEU A 55 0.167 5.029 -2.412 1.00 11.05 H new ATOM 0 HB3 LEU A 55 0.909 3.742 -1.484 1.00 11.05 H new ATOM 0 HG LEU A 55 0.614 2.210 -3.446 1.00 52.23 H new ATOM 0 HD11 LEU A 55 0.140 3.194 -5.656 1.00 73.31 H new ATOM 0 HD12 LEU A 55 -1.247 3.342 -4.551 1.00 73.31 H new ATOM 0 HD13 LEU A 55 -0.215 4.755 -4.878 1.00 73.31 H new ATOM 0 HD21 LEU A 55 2.450 3.191 -4.776 1.00 32.54 H new ATOM 0 HD22 LEU A 55 2.207 4.748 -3.950 1.00 32.54 H new ATOM 0 HD23 LEU A 55 2.751 3.327 -3.027 1.00 32.54 H new ATOM 962 N ILE A 56 -1.722 1.177 -2.368 1.00 5.14 N ATOM 963 CA ILE A 56 -1.797 -0.277 -2.138 1.00 24.35 C ATOM 964 C ILE A 56 -1.129 -1.065 -3.277 1.00 43.13 C ATOM 965 O ILE A 56 -1.501 -0.926 -4.443 1.00 24.42 O ATOM 966 CB ILE A 56 -3.268 -0.751 -1.982 1.00 31.20 C ATOM 967 CG1 ILE A 56 -3.959 0.003 -0.832 1.00 24.53 C ATOM 968 CG2 ILE A 56 -3.329 -2.263 -1.748 1.00 51.31 C ATOM 969 CD1 ILE A 56 -5.407 -0.390 -0.615 1.00 61.24 C ATOM 0 H ILE A 56 -2.109 1.483 -3.261 1.00 5.14 H new ATOM 0 HA ILE A 56 -1.259 -0.474 -1.210 1.00 24.35 H new ATOM 0 HB ILE A 56 -3.798 -0.528 -2.908 1.00 31.20 H new ATOM 0 HG12 ILE A 56 -3.404 -0.174 0.089 1.00 24.53 H new ATOM 0 HG13 ILE A 56 -3.911 1.073 -1.033 1.00 24.53 H new ATOM 0 HG21 ILE A 56 -4.369 -2.573 -1.642 1.00 51.31 H new ATOM 0 HG22 ILE A 56 -2.881 -2.781 -2.596 1.00 51.31 H new ATOM 0 HG23 ILE A 56 -2.781 -2.513 -0.840 1.00 51.31 H new ATOM 0 HD11 ILE A 56 -5.820 0.187 0.213 1.00 61.24 H new ATOM 0 HD12 ILE A 56 -5.979 -0.187 -1.520 1.00 61.24 H new ATOM 0 HD13 ILE A 56 -5.464 -1.453 -0.381 1.00 61.24 H new ATOM 981 N LEU A 57 -0.145 -1.893 -2.925 1.00 53.14 N ATOM 982 CA LEU A 57 0.559 -2.740 -3.900 1.00 63.23 C ATOM 983 C LEU A 57 0.325 -4.225 -3.589 1.00 51.21 C ATOM 984 O LEU A 57 0.744 -4.726 -2.545 1.00 4.01 O ATOM 985 CB LEU A 57 2.074 -2.445 -3.911 1.00 64.33 C ATOM 986 CG LEU A 57 2.494 -1.063 -4.451 1.00 42.13 C ATOM 987 CD1 LEU A 57 1.849 -0.785 -5.807 1.00 53.14 C ATOM 988 CD2 LEU A 57 2.159 0.046 -3.458 1.00 42.04 C ATOM 0 H LEU A 57 0.187 -1.998 -1.966 1.00 53.14 H new ATOM 0 HA LEU A 57 0.156 -2.510 -4.886 1.00 63.23 H new ATOM 0 HB2 LEU A 57 2.450 -2.544 -2.893 1.00 64.33 H new ATOM 0 HB3 LEU A 57 2.568 -3.211 -4.509 1.00 64.33 H new ATOM 0 HG LEU A 57 3.576 -1.078 -4.585 1.00 42.13 H new ATOM 0 HD11 LEU A 57 2.162 0.196 -6.165 1.00 53.14 H new ATOM 0 HD12 LEU A 57 2.160 -1.548 -6.521 1.00 53.14 H new ATOM 0 HD13 LEU A 57 0.764 -0.804 -5.705 1.00 53.14 H new ATOM 0 HD21 LEU A 57 2.468 1.007 -3.869 1.00 42.04 H new ATOM 0 HD22 LEU A 57 1.085 0.058 -3.275 1.00 42.04 H new ATOM 0 HD23 LEU A 57 2.685 -0.134 -2.520 1.00 42.04 H new ATOM 1000 N VAL A 58 -0.341 -4.924 -4.501 1.00 71.43 N ATOM 1001 CA VAL A 58 -0.707 -6.328 -4.290 1.00 43.22 C ATOM 1002 C VAL A 58 -0.004 -7.261 -5.289 1.00 24.10 C ATOM 1003 O VAL A 58 0.365 -6.851 -6.388 1.00 53.21 O ATOM 1004 CB VAL A 58 -2.237 -6.514 -4.406 1.00 5.11 C ATOM 1005 CG1 VAL A 58 -2.964 -5.682 -3.351 1.00 4.44 C ATOM 1006 CG2 VAL A 58 -2.720 -6.139 -5.804 1.00 25.24 C ATOM 0 H VAL A 58 -0.641 -4.543 -5.398 1.00 71.43 H new ATOM 0 HA VAL A 58 -0.380 -6.594 -3.285 1.00 43.22 H new ATOM 0 HB VAL A 58 -2.465 -7.566 -4.232 1.00 5.11 H new ATOM 0 HG11 VAL A 58 -4.040 -5.828 -3.451 1.00 4.44 H new ATOM 0 HG12 VAL A 58 -2.646 -5.996 -2.357 1.00 4.44 H new ATOM 0 HG13 VAL A 58 -2.726 -4.628 -3.492 1.00 4.44 H new ATOM 0 HG21 VAL A 58 -3.800 -6.277 -5.865 1.00 25.24 H new ATOM 0 HG22 VAL A 58 -2.475 -5.096 -6.006 1.00 25.24 H new ATOM 0 HG23 VAL A 58 -2.231 -6.776 -6.541 1.00 25.24 H new ATOM 1016 N SER A 59 0.171 -8.521 -4.893 1.00 75.13 N ATOM 1017 CA SER A 59 0.828 -9.530 -5.740 1.00 73.03 C ATOM 1018 C SER A 59 -0.140 -10.146 -6.766 1.00 74.01 C ATOM 1019 O SER A 59 0.156 -10.205 -7.962 1.00 3.11 O ATOM 1020 CB SER A 59 1.419 -10.644 -4.866 1.00 71.41 C ATOM 1021 OG SER A 59 0.407 -11.286 -4.099 1.00 73.51 O ATOM 0 H SER A 59 -0.133 -8.874 -3.986 1.00 75.13 H new ATOM 0 HA SER A 59 1.621 -9.023 -6.290 1.00 73.03 H new ATOM 0 HB2 SER A 59 1.921 -11.377 -5.497 1.00 71.41 H new ATOM 0 HB3 SER A 59 2.174 -10.226 -4.200 1.00 71.41 H new ATOM 0 HG SER A 59 0.810 -11.993 -3.552 1.00 73.51 H new ATOM 1027 N ASN A 60 -1.295 -10.612 -6.296 1.00 52.03 N ATOM 1028 CA ASN A 60 -2.271 -11.294 -7.163 1.00 73.12 C ATOM 1029 C ASN A 60 -3.578 -10.499 -7.296 1.00 35.22 C ATOM 1030 O ASN A 60 -3.899 -9.661 -6.450 1.00 74.22 O ATOM 1031 CB ASN A 60 -2.576 -12.691 -6.613 1.00 14.35 C ATOM 1032 CG ASN A 60 -1.330 -13.547 -6.476 1.00 64.32 C ATOM 1033 OD1 ASN A 60 -0.948 -14.265 -7.392 1.00 13.02 O ATOM 1034 ND2 ASN A 60 -0.683 -13.471 -5.331 1.00 54.21 N ATOM 0 H ASN A 60 -1.584 -10.533 -5.321 1.00 52.03 H new ATOM 0 HA ASN A 60 -1.825 -11.373 -8.154 1.00 73.12 H new ATOM 0 HB2 ASN A 60 -3.057 -12.597 -5.640 1.00 14.35 H new ATOM 0 HB3 ASN A 60 -3.285 -13.191 -7.273 1.00 14.35 H new ATOM 0 HD21 ASN A 60 0.164 -14.021 -5.186 1.00 54.21 H new ATOM 0 HD22 ASN A 60 -1.029 -12.863 -4.589 1.00 54.21 H new ATOM 1041 N ASP A 61 -4.336 -10.786 -8.356 1.00 34.44 N ATOM 1042 CA ASP A 61 -5.640 -10.147 -8.584 1.00 13.33 C ATOM 1043 C ASP A 61 -6.598 -10.365 -7.400 1.00 33.35 C ATOM 1044 O ASP A 61 -7.330 -9.457 -7.009 1.00 2.22 O ATOM 1045 CB ASP A 61 -6.265 -10.677 -9.877 1.00 20.40 C ATOM 1046 CG ASP A 61 -6.283 -12.195 -9.928 1.00 13.44 C ATOM 1047 OD1 ASP A 61 -7.258 -12.804 -9.451 1.00 62.10 O ATOM 1048 OD2 ASP A 61 -5.303 -12.782 -10.431 1.00 74.44 O ATOM 0 H ASP A 61 -4.070 -11.459 -9.075 1.00 34.44 H new ATOM 0 HA ASP A 61 -5.473 -9.074 -8.677 1.00 13.33 H new ATOM 0 HB2 ASP A 61 -7.284 -10.300 -9.966 1.00 20.40 H new ATOM 0 HB3 ASP A 61 -5.707 -10.293 -10.731 1.00 20.40 H new ATOM 1053 N GLU A 62 -6.583 -11.571 -6.842 1.00 13.15 N ATOM 1054 CA GLU A 62 -7.371 -11.884 -5.646 1.00 61.44 C ATOM 1055 C GLU A 62 -7.062 -10.900 -4.504 1.00 21.05 C ATOM 1056 O GLU A 62 -7.967 -10.316 -3.911 1.00 42.44 O ATOM 1057 CB GLU A 62 -7.088 -13.326 -5.208 1.00 64.31 C ATOM 1058 CG GLU A 62 -7.864 -13.771 -3.974 1.00 75.11 C ATOM 1059 CD GLU A 62 -7.672 -15.247 -3.676 1.00 22.03 C ATOM 1060 OE1 GLU A 62 -6.635 -15.611 -3.085 1.00 73.31 O ATOM 1061 OE2 GLU A 62 -8.547 -16.055 -4.055 1.00 23.42 O ATOM 0 H GLU A 62 -6.033 -12.353 -7.197 1.00 13.15 H new ATOM 0 HA GLU A 62 -8.429 -11.784 -5.889 1.00 61.44 H new ATOM 0 HB2 GLU A 62 -7.325 -13.997 -6.033 1.00 64.31 H new ATOM 0 HB3 GLU A 62 -6.021 -13.430 -5.009 1.00 64.31 H new ATOM 0 HG2 GLU A 62 -7.543 -13.184 -3.114 1.00 75.11 H new ATOM 0 HG3 GLU A 62 -8.925 -13.567 -4.121 1.00 75.11 H new ATOM 1068 N GLU A 63 -5.774 -10.709 -4.220 1.00 55.22 N ATOM 1069 CA GLU A 63 -5.331 -9.738 -3.210 1.00 32.51 C ATOM 1070 C GLU A 63 -5.802 -8.316 -3.573 1.00 22.22 C ATOM 1071 O GLU A 63 -6.159 -7.520 -2.704 1.00 43.12 O ATOM 1072 CB GLU A 63 -3.799 -9.768 -3.089 1.00 31.55 C ATOM 1073 CG GLU A 63 -3.223 -11.147 -2.776 1.00 32.12 C ATOM 1074 CD GLU A 63 -3.746 -11.726 -1.469 1.00 62.42 C ATOM 1075 OE1 GLU A 63 -3.314 -11.266 -0.397 1.00 31.42 O ATOM 1076 OE2 GLU A 63 -4.587 -12.650 -1.510 1.00 43.52 O ATOM 0 H GLU A 63 -5.014 -11.214 -4.675 1.00 55.22 H new ATOM 0 HA GLU A 63 -5.773 -10.013 -2.252 1.00 32.51 H new ATOM 0 HB2 GLU A 63 -3.365 -9.408 -4.022 1.00 31.55 H new ATOM 0 HB3 GLU A 63 -3.494 -9.073 -2.307 1.00 31.55 H new ATOM 0 HG2 GLU A 63 -3.464 -11.829 -3.591 1.00 32.12 H new ATOM 0 HG3 GLU A 63 -2.136 -11.079 -2.728 1.00 32.12 H new ATOM 1083 N LEU A 64 -5.801 -8.020 -4.872 1.00 50.25 N ATOM 1084 CA LEU A 64 -6.243 -6.718 -5.387 1.00 55.40 C ATOM 1085 C LEU A 64 -7.716 -6.445 -5.048 1.00 20.20 C ATOM 1086 O LEU A 64 -8.059 -5.392 -4.502 1.00 41.11 O ATOM 1087 CB LEU A 64 -6.053 -6.671 -6.913 1.00 21.03 C ATOM 1088 CG LEU A 64 -6.406 -5.335 -7.588 1.00 0.04 C ATOM 1089 CD1 LEU A 64 -5.428 -4.242 -7.171 1.00 73.44 C ATOM 1090 CD2 LEU A 64 -6.433 -5.491 -9.106 1.00 61.44 C ATOM 0 H LEU A 64 -5.496 -8.670 -5.597 1.00 50.25 H new ATOM 0 HA LEU A 64 -5.637 -5.948 -4.910 1.00 55.40 H new ATOM 0 HB2 LEU A 64 -5.013 -6.907 -7.139 1.00 21.03 H new ATOM 0 HB3 LEU A 64 -6.663 -7.456 -7.361 1.00 21.03 H new ATOM 0 HG LEU A 64 -7.402 -5.038 -7.259 1.00 0.04 H new ATOM 0 HD11 LEU A 64 -5.698 -3.306 -7.661 1.00 73.44 H new ATOM 0 HD12 LEU A 64 -5.469 -4.110 -6.090 1.00 73.44 H new ATOM 0 HD13 LEU A 64 -4.417 -4.527 -7.464 1.00 73.44 H new ATOM 0 HD21 LEU A 64 -6.685 -4.535 -9.566 1.00 61.44 H new ATOM 0 HD22 LEU A 64 -5.453 -5.815 -9.456 1.00 61.44 H new ATOM 0 HD23 LEU A 64 -7.181 -6.234 -9.382 1.00 61.44 H new ATOM 1102 N ASP A 65 -8.581 -7.404 -5.373 1.00 11.21 N ATOM 1103 CA ASP A 65 -10.019 -7.243 -5.163 1.00 11.32 C ATOM 1104 C ASP A 65 -10.367 -7.227 -3.662 1.00 50.22 C ATOM 1105 O ASP A 65 -11.302 -6.544 -3.239 1.00 22.12 O ATOM 1106 CB ASP A 65 -10.793 -8.345 -5.900 1.00 43.55 C ATOM 1107 CG ASP A 65 -12.189 -7.893 -6.292 1.00 24.42 C ATOM 1108 OD1 ASP A 65 -12.305 -7.016 -7.179 1.00 55.02 O ATOM 1109 OD2 ASP A 65 -13.178 -8.404 -5.725 1.00 24.33 O ATOM 0 H ASP A 65 -8.312 -8.299 -5.782 1.00 11.21 H new ATOM 0 HA ASP A 65 -10.318 -6.279 -5.576 1.00 11.32 H new ATOM 0 HB2 ASP A 65 -10.243 -8.639 -6.794 1.00 43.55 H new ATOM 0 HB3 ASP A 65 -10.863 -9.227 -5.264 1.00 43.55 H new ATOM 1114 N LYS A 66 -9.604 -7.972 -2.862 1.00 74.24 N ATOM 1115 CA LYS A 66 -9.766 -7.950 -1.403 1.00 5.41 C ATOM 1116 C LYS A 66 -9.442 -6.563 -0.820 1.00 3.32 C ATOM 1117 O LYS A 66 -10.171 -6.045 0.032 1.00 4.45 O ATOM 1118 CB LYS A 66 -8.876 -9.016 -0.746 1.00 4.20 C ATOM 1119 CG LYS A 66 -9.284 -10.446 -1.082 1.00 75.01 C ATOM 1120 CD LYS A 66 -10.726 -10.725 -0.664 1.00 21.33 C ATOM 1121 CE LYS A 66 -10.914 -10.602 0.842 1.00 42.01 C ATOM 1122 NZ LYS A 66 -12.348 -10.667 1.227 1.00 71.44 N ATOM 0 H LYS A 66 -8.870 -8.597 -3.195 1.00 74.24 H new ATOM 0 HA LYS A 66 -10.811 -8.173 -1.186 1.00 5.41 H new ATOM 0 HB2 LYS A 66 -7.844 -8.859 -1.060 1.00 4.20 H new ATOM 0 HB3 LYS A 66 -8.904 -8.884 0.336 1.00 4.20 H new ATOM 0 HG2 LYS A 66 -9.175 -10.615 -2.153 1.00 75.01 H new ATOM 0 HG3 LYS A 66 -8.616 -11.145 -0.579 1.00 75.01 H new ATOM 0 HD2 LYS A 66 -11.393 -10.028 -1.171 1.00 21.33 H new ATOM 0 HD3 LYS A 66 -11.010 -11.727 -0.985 1.00 21.33 H new ATOM 0 HE2 LYS A 66 -10.367 -11.401 1.343 1.00 42.01 H new ATOM 0 HE3 LYS A 66 -10.488 -9.659 1.186 1.00 42.01 H new ATOM 0 HZ1 LYS A 66 -12.502 -10.106 2.089 1.00 71.44 H new ATOM 0 HZ2 LYS A 66 -12.932 -10.284 0.456 1.00 71.44 H new ATOM 0 HZ3 LYS A 66 -12.615 -11.656 1.405 1.00 71.44 H new ATOM 1136 N ALA A 67 -8.347 -5.967 -1.293 1.00 62.32 N ATOM 1137 CA ALA A 67 -7.925 -4.637 -0.836 1.00 22.21 C ATOM 1138 C ALA A 67 -9.006 -3.574 -1.095 1.00 12.40 C ATOM 1139 O ALA A 67 -9.308 -2.754 -0.225 1.00 55.03 O ATOM 1140 CB ALA A 67 -6.616 -4.246 -1.515 1.00 1.12 C ATOM 0 H ALA A 67 -7.733 -6.383 -1.994 1.00 62.32 H new ATOM 0 HA ALA A 67 -7.771 -4.685 0.242 1.00 22.21 H new ATOM 0 HB1 ALA A 67 -6.309 -3.258 -1.171 1.00 1.12 H new ATOM 0 HB2 ALA A 67 -5.844 -4.974 -1.264 1.00 1.12 H new ATOM 0 HB3 ALA A 67 -6.758 -4.226 -2.595 1.00 1.12 H new ATOM 1146 N LYS A 68 -9.597 -3.597 -2.292 1.00 10.25 N ATOM 1147 CA LYS A 68 -10.632 -2.620 -2.653 1.00 14.43 C ATOM 1148 C LYS A 68 -11.952 -2.854 -1.892 1.00 44.12 C ATOM 1149 O LYS A 68 -12.695 -1.905 -1.649 1.00 63.15 O ATOM 1150 CB LYS A 68 -10.862 -2.593 -4.174 1.00 65.35 C ATOM 1151 CG LYS A 68 -11.082 -3.963 -4.801 1.00 44.50 C ATOM 1152 CD LYS A 68 -11.172 -3.890 -6.326 1.00 25.54 C ATOM 1153 CE LYS A 68 -12.515 -3.348 -6.803 1.00 34.14 C ATOM 1154 NZ LYS A 68 -13.624 -4.310 -6.554 1.00 30.03 N ATOM 0 H LYS A 68 -9.381 -4.274 -3.023 1.00 10.25 H new ATOM 0 HA LYS A 68 -10.263 -1.641 -2.348 1.00 14.43 H new ATOM 0 HB2 LYS A 68 -11.728 -1.966 -4.387 1.00 65.35 H new ATOM 0 HB3 LYS A 68 -10.002 -2.122 -4.651 1.00 65.35 H new ATOM 0 HG2 LYS A 68 -10.265 -4.626 -4.518 1.00 44.50 H new ATOM 0 HG3 LYS A 68 -11.999 -4.400 -4.405 1.00 44.50 H new ATOM 0 HD2 LYS A 68 -10.371 -3.254 -6.705 1.00 25.54 H new ATOM 0 HD3 LYS A 68 -11.015 -4.884 -6.745 1.00 25.54 H new ATOM 0 HE2 LYS A 68 -12.729 -2.408 -6.293 1.00 34.14 H new ATOM 0 HE3 LYS A 68 -12.459 -3.127 -7.869 1.00 34.14 H new ATOM 0 HZ1 LYS A 68 -14.416 -4.100 -7.194 1.00 30.03 H new ATOM 0 HZ2 LYS A 68 -13.288 -5.279 -6.726 1.00 30.03 H new ATOM 0 HZ3 LYS A 68 -13.943 -4.224 -5.568 1.00 30.03 H new ATOM 1168 N GLU A 69 -12.246 -4.104 -1.509 1.00 22.32 N ATOM 1169 CA GLU A 69 -13.406 -4.379 -0.638 1.00 60.22 C ATOM 1170 C GLU A 69 -13.295 -3.581 0.668 1.00 70.44 C ATOM 1171 O GLU A 69 -14.169 -2.775 1.004 1.00 43.12 O ATOM 1172 CB GLU A 69 -13.516 -5.876 -0.286 1.00 63.55 C ATOM 1173 CG GLU A 69 -14.000 -6.777 -1.414 1.00 34.33 C ATOM 1174 CD GLU A 69 -14.338 -8.175 -0.916 1.00 14.10 C ATOM 1175 OE1 GLU A 69 -13.412 -8.972 -0.683 1.00 54.24 O ATOM 1176 OE2 GLU A 69 -15.535 -8.473 -0.719 1.00 43.40 O ATOM 0 H GLU A 69 -11.711 -4.929 -1.780 1.00 22.32 H new ATOM 0 HA GLU A 69 -14.296 -4.080 -1.192 1.00 60.22 H new ATOM 0 HB2 GLU A 69 -12.538 -6.227 0.043 1.00 63.55 H new ATOM 0 HB3 GLU A 69 -14.195 -5.984 0.560 1.00 63.55 H new ATOM 0 HG2 GLU A 69 -14.880 -6.335 -1.880 1.00 34.33 H new ATOM 0 HG3 GLU A 69 -13.230 -6.841 -2.183 1.00 34.33 H new ATOM 1183 N LEU A 70 -12.208 -3.820 1.398 1.00 63.42 N ATOM 1184 CA LEU A 70 -11.954 -3.139 2.670 1.00 4.33 C ATOM 1185 C LEU A 70 -11.964 -1.612 2.500 1.00 51.02 C ATOM 1186 O LEU A 70 -12.652 -0.901 3.233 1.00 13.31 O ATOM 1187 CB LEU A 70 -10.607 -3.601 3.242 1.00 60.30 C ATOM 1188 CG LEU A 70 -10.486 -5.114 3.492 1.00 32.12 C ATOM 1189 CD1 LEU A 70 -9.070 -5.481 3.924 1.00 71.01 C ATOM 1190 CD2 LEU A 70 -11.504 -5.571 4.535 1.00 23.24 C ATOM 0 H LEU A 70 -11.483 -4.485 1.130 1.00 63.42 H new ATOM 0 HA LEU A 70 -12.753 -3.400 3.364 1.00 4.33 H new ATOM 0 HB2 LEU A 70 -9.816 -3.298 2.556 1.00 60.30 H new ATOM 0 HB3 LEU A 70 -10.431 -3.078 4.182 1.00 60.30 H new ATOM 0 HG LEU A 70 -10.699 -5.631 2.556 1.00 32.12 H new ATOM 0 HD11 LEU A 70 -9.009 -6.556 4.095 1.00 71.01 H new ATOM 0 HD12 LEU A 70 -8.366 -5.197 3.142 1.00 71.01 H new ATOM 0 HD13 LEU A 70 -8.822 -4.953 4.844 1.00 71.01 H new ATOM 0 HD21 LEU A 70 -11.402 -6.644 4.697 1.00 23.24 H new ATOM 0 HD22 LEU A 70 -11.326 -5.044 5.472 1.00 23.24 H new ATOM 0 HD23 LEU A 70 -12.511 -5.352 4.181 1.00 23.24 H new ATOM 1202 N ALA A 71 -11.218 -1.122 1.511 1.00 11.44 N ATOM 1203 CA ALA A 71 -11.115 0.319 1.244 1.00 54.22 C ATOM 1204 C ALA A 71 -12.487 0.970 0.984 1.00 3.01 C ATOM 1205 O ALA A 71 -12.787 2.043 1.514 1.00 40.41 O ATOM 1206 CB ALA A 71 -10.186 0.558 0.062 1.00 64.32 C ATOM 0 H ALA A 71 -10.671 -1.703 0.875 1.00 11.44 H new ATOM 0 HA ALA A 71 -10.705 0.789 2.138 1.00 54.22 H new ATOM 0 HB1 ALA A 71 -10.113 1.628 -0.133 1.00 64.32 H new ATOM 0 HB2 ALA A 71 -9.197 0.162 0.291 1.00 64.32 H new ATOM 0 HB3 ALA A 71 -10.583 0.055 -0.820 1.00 64.32 H new ATOM 1212 N GLN A 72 -13.313 0.316 0.164 1.00 62.03 N ATOM 1213 CA GLN A 72 -14.659 0.819 -0.151 1.00 41.31 C ATOM 1214 C GLN A 72 -15.549 0.899 1.100 1.00 2.11 C ATOM 1215 O GLN A 72 -16.158 1.934 1.376 1.00 12.23 O ATOM 1216 CB GLN A 72 -15.331 -0.074 -1.209 1.00 62.30 C ATOM 1217 CG GLN A 72 -14.791 0.125 -2.623 1.00 30.41 C ATOM 1218 CD GLN A 72 -15.474 -0.768 -3.645 1.00 63.23 C ATOM 1219 OE1 GLN A 72 -16.638 -1.132 -3.501 1.00 71.23 O ATOM 1220 NE2 GLN A 72 -14.762 -1.121 -4.695 1.00 72.53 N ATOM 0 H GLN A 72 -13.077 -0.563 -0.296 1.00 62.03 H new ATOM 0 HA GLN A 72 -14.542 1.828 -0.546 1.00 41.31 H new ATOM 0 HB2 GLN A 72 -15.200 -1.118 -0.925 1.00 62.30 H new ATOM 0 HB3 GLN A 72 -16.403 0.124 -1.209 1.00 62.30 H new ATOM 0 HG2 GLN A 72 -14.921 1.167 -2.913 1.00 30.41 H new ATOM 0 HG3 GLN A 72 -13.720 -0.076 -2.630 1.00 30.41 H new ATOM 0 HE21 GLN A 72 -13.797 -0.803 -4.787 1.00 72.53 H new ATOM 0 HE22 GLN A 72 -15.175 -1.712 -5.416 1.00 72.53 H new ATOM 1229 N LYS A 73 -15.612 -0.195 1.854 1.00 24.23 N ATOM 1230 CA LYS A 73 -16.450 -0.260 3.061 1.00 32.33 C ATOM 1231 C LYS A 73 -15.998 0.756 4.125 1.00 13.50 C ATOM 1232 O LYS A 73 -16.820 1.392 4.788 1.00 24.45 O ATOM 1233 CB LYS A 73 -16.410 -1.673 3.659 1.00 53.31 C ATOM 1234 CG LYS A 73 -16.823 -2.773 2.683 1.00 11.01 C ATOM 1235 CD LYS A 73 -16.783 -4.157 3.332 1.00 11.14 C ATOM 1236 CE LYS A 73 -15.400 -4.492 3.890 1.00 51.31 C ATOM 1237 NZ LYS A 73 -15.373 -5.816 4.571 1.00 23.11 N ATOM 0 H LYS A 73 -15.095 -1.052 1.656 1.00 24.23 H new ATOM 0 HA LYS A 73 -17.469 -0.012 2.763 1.00 32.33 H new ATOM 0 HB2 LYS A 73 -15.400 -1.877 4.015 1.00 53.31 H new ATOM 0 HB3 LYS A 73 -17.067 -1.707 4.528 1.00 53.31 H new ATOM 0 HG2 LYS A 73 -17.830 -2.573 2.316 1.00 11.01 H new ATOM 0 HG3 LYS A 73 -16.160 -2.758 1.818 1.00 11.01 H new ATOM 0 HD2 LYS A 73 -17.518 -4.201 4.136 1.00 11.14 H new ATOM 0 HD3 LYS A 73 -17.069 -4.910 2.597 1.00 11.14 H new ATOM 0 HE2 LYS A 73 -14.672 -4.488 3.079 1.00 51.31 H new ATOM 0 HE3 LYS A 73 -15.097 -3.717 4.594 1.00 51.31 H new ATOM 0 HZ1 LYS A 73 -14.425 -5.986 4.963 1.00 23.11 H new ATOM 0 HZ2 LYS A 73 -16.072 -5.825 5.341 1.00 23.11 H new ATOM 0 HZ3 LYS A 73 -15.603 -6.564 3.886 1.00 23.11 H new ATOM 1251 N MET A 74 -14.684 0.899 4.280 1.00 24.11 N ATOM 1252 CA MET A 74 -14.111 1.774 5.311 1.00 73.35 C ATOM 1253 C MET A 74 -13.945 3.222 4.817 1.00 45.15 C ATOM 1254 O MET A 74 -13.628 4.116 5.602 1.00 42.34 O ATOM 1255 CB MET A 74 -12.769 1.197 5.779 1.00 34.15 C ATOM 1256 CG MET A 74 -12.888 -0.245 6.257 1.00 61.33 C ATOM 1257 SD MET A 74 -11.306 -0.992 6.695 1.00 32.04 S ATOM 1258 CE MET A 74 -10.857 -0.036 8.140 1.00 25.12 C ATOM 0 H MET A 74 -13.991 0.420 3.705 1.00 24.11 H new ATOM 0 HA MET A 74 -14.804 1.810 6.151 1.00 73.35 H new ATOM 0 HB2 MET A 74 -12.051 1.247 4.961 1.00 34.15 H new ATOM 0 HB3 MET A 74 -12.375 1.813 6.587 1.00 34.15 H new ATOM 0 HG2 MET A 74 -13.549 -0.279 7.123 1.00 61.33 H new ATOM 0 HG3 MET A 74 -13.358 -0.841 5.475 1.00 61.33 H new ATOM 0 HE1 MET A 74 -9.985 -0.484 8.616 1.00 25.12 H new ATOM 0 HE2 MET A 74 -10.623 0.986 7.842 1.00 25.12 H new ATOM 0 HE3 MET A 74 -11.690 -0.027 8.843 1.00 25.12 H new ATOM 1268 N GLU A 75 -14.168 3.434 3.517 1.00 2.33 N ATOM 1269 CA GLU A 75 -14.151 4.775 2.908 1.00 34.33 C ATOM 1270 C GLU A 75 -12.810 5.503 3.102 1.00 54.54 C ATOM 1271 O GLU A 75 -12.697 6.428 3.911 1.00 41.22 O ATOM 1272 CB GLU A 75 -15.300 5.635 3.459 1.00 33.11 C ATOM 1273 CG GLU A 75 -16.687 5.065 3.184 1.00 11.23 C ATOM 1274 CD GLU A 75 -17.800 5.948 3.726 1.00 13.34 C ATOM 1275 OE1 GLU A 75 -18.160 6.937 3.050 1.00 11.24 O ATOM 1276 OE2 GLU A 75 -18.322 5.657 4.828 1.00 41.43 O ATOM 0 H GLU A 75 -14.366 2.684 2.854 1.00 2.33 H new ATOM 0 HA GLU A 75 -14.286 4.629 1.836 1.00 34.33 H new ATOM 0 HB2 GLU A 75 -15.172 5.748 4.535 1.00 33.11 H new ATOM 0 HB3 GLU A 75 -15.235 6.632 3.024 1.00 33.11 H new ATOM 0 HG2 GLU A 75 -16.818 4.940 2.109 1.00 11.23 H new ATOM 0 HG3 GLU A 75 -16.764 4.074 3.632 1.00 11.23 H new ATOM 1283 N ILE A 76 -11.790 5.082 2.357 1.00 42.14 N ATOM 1284 CA ILE A 76 -10.464 5.711 2.427 1.00 4.04 C ATOM 1285 C ILE A 76 -9.897 5.973 1.020 1.00 64.45 C ATOM 1286 O ILE A 76 -10.039 5.143 0.120 1.00 23.55 O ATOM 1287 CB ILE A 76 -9.461 4.835 3.232 1.00 40.33 C ATOM 1288 CG1 ILE A 76 -10.025 4.509 4.627 1.00 15.44 C ATOM 1289 CG2 ILE A 76 -8.105 5.534 3.355 1.00 53.42 C ATOM 1290 CD1 ILE A 76 -9.109 3.659 5.483 1.00 34.41 C ATOM 0 H ILE A 76 -11.852 4.308 1.696 1.00 42.14 H new ATOM 0 HA ILE A 76 -10.592 6.663 2.942 1.00 4.04 H new ATOM 0 HB ILE A 76 -9.317 3.901 2.689 1.00 40.33 H new ATOM 0 HG12 ILE A 76 -10.231 5.442 5.151 1.00 15.44 H new ATOM 0 HG13 ILE A 76 -10.978 3.992 4.510 1.00 15.44 H new ATOM 0 HG21 ILE A 76 -7.420 4.903 3.922 1.00 53.42 H new ATOM 0 HG22 ILE A 76 -7.696 5.712 2.361 1.00 53.42 H new ATOM 0 HG23 ILE A 76 -8.232 6.486 3.871 1.00 53.42 H new ATOM 0 HD11 ILE A 76 -9.580 3.475 6.448 1.00 34.41 H new ATOM 0 HD12 ILE A 76 -8.922 2.708 4.983 1.00 34.41 H new ATOM 0 HD13 ILE A 76 -8.164 4.181 5.634 1.00 34.41 H new ATOM 1302 N ASP A 77 -9.262 7.133 0.840 1.00 31.34 N ATOM 1303 CA ASP A 77 -8.617 7.480 -0.432 1.00 43.52 C ATOM 1304 C ASP A 77 -7.418 6.553 -0.705 1.00 0.25 C ATOM 1305 O ASP A 77 -6.331 6.730 -0.143 1.00 15.52 O ATOM 1306 CB ASP A 77 -8.179 8.953 -0.415 1.00 52.24 C ATOM 1307 CG ASP A 77 -7.382 9.343 -1.650 1.00 11.25 C ATOM 1308 OD1 ASP A 77 -7.958 9.383 -2.753 1.00 43.41 O ATOM 1309 OD2 ASP A 77 -6.164 9.586 -1.525 1.00 42.20 O ATOM 0 H ASP A 77 -9.180 7.851 1.560 1.00 31.34 H new ATOM 0 HA ASP A 77 -9.336 7.342 -1.239 1.00 43.52 H new ATOM 0 HB2 ASP A 77 -9.061 9.589 -0.341 1.00 52.24 H new ATOM 0 HB3 ASP A 77 -7.577 9.138 0.474 1.00 52.24 H new ATOM 1314 N VAL A 78 -7.635 5.551 -1.554 1.00 44.14 N ATOM 1315 CA VAL A 78 -6.614 4.538 -1.847 1.00 1.20 C ATOM 1316 C VAL A 78 -6.370 4.372 -3.355 1.00 42.24 C ATOM 1317 O VAL A 78 -7.198 4.746 -4.184 1.00 34.33 O ATOM 1318 CB VAL A 78 -7.011 3.152 -1.269 1.00 33.51 C ATOM 1319 CG1 VAL A 78 -7.272 3.226 0.235 1.00 24.12 C ATOM 1320 CG2 VAL A 78 -8.225 2.587 -2.006 1.00 62.02 C ATOM 0 H VAL A 78 -8.513 5.415 -2.056 1.00 44.14 H new ATOM 0 HA VAL A 78 -5.699 4.896 -1.374 1.00 1.20 H new ATOM 0 HB VAL A 78 -6.170 2.475 -1.423 1.00 33.51 H new ATOM 0 HG11 VAL A 78 -7.547 2.239 0.606 1.00 24.12 H new ATOM 0 HG12 VAL A 78 -6.370 3.566 0.744 1.00 24.12 H new ATOM 0 HG13 VAL A 78 -8.085 3.926 0.429 1.00 24.12 H new ATOM 0 HG21 VAL A 78 -8.486 1.616 -1.586 1.00 62.02 H new ATOM 0 HG22 VAL A 78 -9.068 3.269 -1.895 1.00 62.02 H new ATOM 0 HG23 VAL A 78 -7.988 2.472 -3.064 1.00 62.02 H new ATOM 1330 N ARG A 79 -5.216 3.808 -3.697 1.00 70.25 N ATOM 1331 CA ARG A 79 -4.916 3.409 -5.075 1.00 50.14 C ATOM 1332 C ARG A 79 -4.443 1.949 -5.120 1.00 54.32 C ATOM 1333 O ARG A 79 -3.309 1.645 -4.747 1.00 61.52 O ATOM 1334 CB ARG A 79 -3.852 4.331 -5.698 1.00 33.45 C ATOM 1335 CG ARG A 79 -4.377 5.718 -6.089 1.00 42.30 C ATOM 1336 CD ARG A 79 -3.586 6.847 -5.433 1.00 64.03 C ATOM 1337 NE ARG A 79 -3.699 6.811 -3.974 1.00 54.14 N ATOM 1338 CZ ARG A 79 -4.487 7.590 -3.281 1.00 25.12 C ATOM 1339 NH1 ARG A 79 -5.248 8.459 -3.863 1.00 3.34 N ATOM 1340 NH2 ARG A 79 -4.526 7.487 -1.996 1.00 1.22 N ATOM 0 H ARG A 79 -4.465 3.614 -3.035 1.00 70.25 H new ATOM 0 HA ARG A 79 -5.832 3.501 -5.659 1.00 50.14 H new ATOM 0 HB2 ARG A 79 -3.031 4.451 -4.991 1.00 33.45 H new ATOM 0 HB3 ARG A 79 -3.441 3.847 -6.584 1.00 33.45 H new ATOM 0 HG2 ARG A 79 -4.332 5.828 -7.172 1.00 42.30 H new ATOM 0 HG3 ARG A 79 -5.426 5.800 -5.804 1.00 42.30 H new ATOM 0 HD2 ARG A 79 -2.537 6.770 -5.719 1.00 64.03 H new ATOM 0 HD3 ARG A 79 -3.947 7.807 -5.802 1.00 64.03 H new ATOM 0 HE ARG A 79 -3.127 6.136 -3.467 1.00 54.14 H new ATOM 0 HH11 ARG A 79 -5.240 8.545 -4.879 1.00 3.34 H new ATOM 0 HH12 ARG A 79 -5.857 9.058 -3.306 1.00 3.34 H new ATOM 0 HH21 ARG A 79 -3.942 6.798 -1.522 1.00 1.22 H new ATOM 0 HH22 ARG A 79 -5.141 8.094 -1.454 1.00 1.22 H new ATOM 1354 N THR A 80 -5.328 1.053 -5.554 1.00 45.21 N ATOM 1355 CA THR A 80 -5.015 -0.380 -5.643 1.00 44.31 C ATOM 1356 C THR A 80 -4.271 -0.720 -6.940 1.00 12.43 C ATOM 1357 O THR A 80 -4.824 -0.611 -8.038 1.00 41.33 O ATOM 1358 CB THR A 80 -6.293 -1.253 -5.554 1.00 25.01 C ATOM 1359 OG1 THR A 80 -7.319 -0.731 -6.413 1.00 14.44 O ATOM 1360 CG2 THR A 80 -6.807 -1.336 -4.123 1.00 11.14 C ATOM 0 H THR A 80 -6.274 1.292 -5.852 1.00 45.21 H new ATOM 0 HA THR A 80 -4.370 -0.602 -4.793 1.00 44.31 H new ATOM 0 HB THR A 80 -6.031 -2.259 -5.882 1.00 25.01 H new ATOM 0 HG1 THR A 80 -6.934 -0.512 -7.287 1.00 14.44 H new ATOM 0 HG21 THR A 80 -7.704 -1.955 -4.094 1.00 11.14 H new ATOM 0 HG22 THR A 80 -6.040 -1.777 -3.486 1.00 11.14 H new ATOM 0 HG23 THR A 80 -7.045 -0.335 -3.763 1.00 11.14 H new ATOM 1368 N ARG A 81 -3.012 -1.125 -6.803 1.00 43.44 N ATOM 1369 CA ARG A 81 -2.176 -1.500 -7.949 1.00 4.33 C ATOM 1370 C ARG A 81 -1.513 -2.867 -7.730 1.00 71.25 C ATOM 1371 O ARG A 81 -1.063 -3.185 -6.629 1.00 31.02 O ATOM 1372 CB ARG A 81 -1.103 -0.426 -8.193 1.00 42.31 C ATOM 1373 CG ARG A 81 -1.674 0.919 -8.636 1.00 71.50 C ATOM 1374 CD ARG A 81 -2.488 0.776 -9.917 1.00 20.53 C ATOM 1375 NE ARG A 81 -3.045 2.044 -10.379 1.00 71.23 N ATOM 1376 CZ ARG A 81 -3.930 2.138 -11.332 1.00 71.30 C ATOM 1377 NH1 ARG A 81 -4.383 1.072 -11.916 1.00 50.40 N ATOM 1378 NH2 ARG A 81 -4.362 3.297 -11.705 1.00 51.13 N ATOM 0 H ARG A 81 -2.541 -1.204 -5.902 1.00 43.44 H new ATOM 0 HA ARG A 81 -2.818 -1.573 -8.827 1.00 4.33 H new ATOM 0 HB2 ARG A 81 -0.529 -0.284 -7.278 1.00 42.31 H new ATOM 0 HB3 ARG A 81 -0.408 -0.784 -8.953 1.00 42.31 H new ATOM 0 HG2 ARG A 81 -2.303 1.328 -7.846 1.00 71.50 H new ATOM 0 HG3 ARG A 81 -0.861 1.628 -8.795 1.00 71.50 H new ATOM 0 HD2 ARG A 81 -1.855 0.356 -10.699 1.00 20.53 H new ATOM 0 HD3 ARG A 81 -3.299 0.068 -9.749 1.00 20.53 H new ATOM 0 HE ARG A 81 -2.724 2.903 -9.932 1.00 71.23 H new ATOM 0 HH11 ARG A 81 -4.047 0.152 -11.630 1.00 50.40 H new ATOM 0 HH12 ARG A 81 -5.075 1.154 -12.661 1.00 50.40 H new ATOM 0 HH21 ARG A 81 -4.011 4.142 -11.254 1.00 51.13 H new ATOM 0 HH22 ARG A 81 -5.054 3.367 -12.451 1.00 51.13 H new ATOM 1392 N LYS A 82 -1.461 -3.675 -8.785 1.00 35.22 N ATOM 1393 CA LYS A 82 -0.848 -5.006 -8.716 1.00 61.23 C ATOM 1394 C LYS A 82 0.570 -4.987 -9.303 1.00 73.31 C ATOM 1395 O LYS A 82 0.778 -4.541 -10.436 1.00 44.40 O ATOM 1396 CB LYS A 82 -1.709 -6.032 -9.469 1.00 34.13 C ATOM 1397 CG LYS A 82 -1.201 -7.465 -9.334 1.00 35.34 C ATOM 1398 CD LYS A 82 -2.022 -8.448 -10.161 1.00 32.25 C ATOM 1399 CE LYS A 82 -1.892 -8.180 -11.658 1.00 5.21 C ATOM 1400 NZ LYS A 82 -2.640 -9.176 -12.470 1.00 54.33 N ATOM 0 H LYS A 82 -1.836 -3.434 -9.702 1.00 35.22 H new ATOM 0 HA LYS A 82 -0.786 -5.294 -7.666 1.00 61.23 H new ATOM 0 HB2 LYS A 82 -2.732 -5.980 -9.096 1.00 34.13 H new ATOM 0 HB3 LYS A 82 -1.741 -5.764 -10.525 1.00 34.13 H new ATOM 0 HG2 LYS A 82 -0.158 -7.510 -9.649 1.00 35.34 H new ATOM 0 HG3 LYS A 82 -1.230 -7.762 -8.286 1.00 35.34 H new ATOM 0 HD2 LYS A 82 -1.696 -9.465 -9.945 1.00 32.25 H new ATOM 0 HD3 LYS A 82 -3.070 -8.381 -9.870 1.00 32.25 H new ATOM 0 HE2 LYS A 82 -2.263 -7.179 -11.881 1.00 5.21 H new ATOM 0 HE3 LYS A 82 -0.839 -8.200 -11.940 1.00 5.21 H new ATOM 0 HZ1 LYS A 82 -2.525 -8.957 -13.480 1.00 54.33 H new ATOM 0 HZ2 LYS A 82 -2.270 -10.129 -12.278 1.00 54.33 H new ATOM 0 HZ3 LYS A 82 -3.649 -9.140 -12.221 1.00 54.33 H new ATOM 1414 N VAL A 83 1.545 -5.473 -8.541 1.00 24.30 N ATOM 1415 CA VAL A 83 2.940 -5.473 -8.986 1.00 53.23 C ATOM 1416 C VAL A 83 3.505 -6.895 -9.110 1.00 41.23 C ATOM 1417 O VAL A 83 3.316 -7.737 -8.233 1.00 0.45 O ATOM 1418 CB VAL A 83 3.838 -4.642 -8.033 1.00 1.43 C ATOM 1419 CG1 VAL A 83 3.433 -3.171 -8.065 1.00 30.41 C ATOM 1420 CG2 VAL A 83 3.776 -5.188 -6.606 1.00 51.35 C ATOM 0 H VAL A 83 1.398 -5.872 -7.614 1.00 24.30 H new ATOM 0 HA VAL A 83 2.947 -5.012 -9.974 1.00 53.23 H new ATOM 0 HB VAL A 83 4.868 -4.725 -8.380 1.00 1.43 H new ATOM 0 HG11 VAL A 83 4.073 -2.603 -7.391 1.00 30.41 H new ATOM 0 HG12 VAL A 83 3.541 -2.786 -9.079 1.00 30.41 H new ATOM 0 HG13 VAL A 83 2.395 -3.073 -7.748 1.00 30.41 H new ATOM 0 HG21 VAL A 83 4.415 -4.587 -5.958 1.00 51.35 H new ATOM 0 HG22 VAL A 83 2.749 -5.144 -6.244 1.00 51.35 H new ATOM 0 HG23 VAL A 83 4.120 -6.222 -6.597 1.00 51.35 H new ATOM 1430 N THR A 84 4.191 -7.151 -10.219 1.00 22.41 N ATOM 1431 CA THR A 84 4.895 -8.424 -10.433 1.00 35.10 C ATOM 1432 C THR A 84 6.391 -8.268 -10.158 1.00 61.20 C ATOM 1433 O THR A 84 7.006 -9.090 -9.476 1.00 74.31 O ATOM 1434 CB THR A 84 4.720 -8.930 -11.883 1.00 51.41 C ATOM 1435 OG1 THR A 84 5.290 -7.982 -12.805 1.00 31.12 O ATOM 1436 CG2 THR A 84 3.246 -9.149 -12.220 1.00 51.51 C ATOM 0 H THR A 84 4.278 -6.492 -10.993 1.00 22.41 H new ATOM 0 HA THR A 84 4.459 -9.146 -9.742 1.00 35.10 H new ATOM 0 HB THR A 84 5.237 -9.886 -11.971 1.00 51.41 H new ATOM 0 HG1 THR A 84 5.177 -8.309 -13.722 1.00 31.12 H new ATOM 0 HG21 THR A 84 3.156 -9.505 -13.246 1.00 51.51 H new ATOM 0 HG22 THR A 84 2.824 -9.890 -11.541 1.00 51.51 H new ATOM 0 HG23 THR A 84 2.705 -8.209 -12.113 1.00 51.51 H new ATOM 1444 N SER A 85 6.968 -7.207 -10.710 1.00 42.03 N ATOM 1445 CA SER A 85 8.388 -6.895 -10.520 1.00 14.31 C ATOM 1446 C SER A 85 8.564 -5.727 -9.535 1.00 72.44 C ATOM 1447 O SER A 85 7.776 -4.778 -9.546 1.00 50.25 O ATOM 1448 CB SER A 85 9.035 -6.542 -11.867 1.00 35.13 C ATOM 1449 OG SER A 85 8.921 -7.617 -12.792 1.00 35.53 O ATOM 0 H SER A 85 6.472 -6.539 -11.300 1.00 42.03 H new ATOM 0 HA SER A 85 8.878 -7.775 -10.105 1.00 14.31 H new ATOM 0 HB2 SER A 85 8.559 -5.652 -12.280 1.00 35.13 H new ATOM 0 HB3 SER A 85 10.087 -6.300 -11.715 1.00 35.13 H new ATOM 0 HG SER A 85 9.340 -7.364 -13.641 1.00 35.53 H new ATOM 1455 N PRO A 86 9.607 -5.768 -8.679 1.00 51.23 N ATOM 1456 CA PRO A 86 9.844 -4.725 -7.660 1.00 54.04 C ATOM 1457 C PRO A 86 9.880 -3.301 -8.246 1.00 2.12 C ATOM 1458 O PRO A 86 9.381 -2.356 -7.633 1.00 72.41 O ATOM 1459 CB PRO A 86 11.209 -5.105 -7.067 1.00 3.35 C ATOM 1460 CG PRO A 86 11.348 -6.568 -7.331 1.00 53.01 C ATOM 1461 CD PRO A 86 10.635 -6.828 -8.633 1.00 41.41 C ATOM 0 HA PRO A 86 9.038 -4.694 -6.927 1.00 54.04 H new ATOM 0 HB2 PRO A 86 12.015 -4.540 -7.536 1.00 3.35 H new ATOM 0 HB3 PRO A 86 11.249 -4.891 -5.999 1.00 3.35 H new ATOM 0 HG2 PRO A 86 12.398 -6.854 -7.398 1.00 53.01 H new ATOM 0 HG3 PRO A 86 10.909 -7.153 -6.523 1.00 53.01 H new ATOM 0 HD2 PRO A 86 11.315 -6.765 -9.483 1.00 41.41 H new ATOM 0 HD3 PRO A 86 10.188 -7.822 -8.655 1.00 41.41 H new ATOM 1469 N ASP A 87 10.462 -3.163 -9.439 1.00 2.51 N ATOM 1470 CA ASP A 87 10.547 -1.867 -10.125 1.00 73.52 C ATOM 1471 C ASP A 87 9.167 -1.207 -10.296 1.00 30.53 C ATOM 1472 O ASP A 87 9.038 0.013 -10.192 1.00 20.35 O ATOM 1473 CB ASP A 87 11.220 -2.042 -11.488 1.00 70.42 C ATOM 1474 CG ASP A 87 12.662 -2.496 -11.353 1.00 63.32 C ATOM 1475 OD1 ASP A 87 12.892 -3.698 -11.099 1.00 60.40 O ATOM 1476 OD2 ASP A 87 13.573 -1.652 -11.487 1.00 31.12 O ATOM 0 H ASP A 87 10.884 -3.936 -9.954 1.00 2.51 H new ATOM 0 HA ASP A 87 11.147 -1.205 -9.501 1.00 73.52 H new ATOM 0 HB2 ASP A 87 10.663 -2.771 -12.077 1.00 70.42 H new ATOM 0 HB3 ASP A 87 11.186 -1.099 -12.034 1.00 70.42 H new ATOM 1481 N GLU A 88 8.140 -2.017 -10.547 1.00 4.13 N ATOM 1482 CA GLU A 88 6.767 -1.510 -10.656 1.00 32.32 C ATOM 1483 C GLU A 88 6.340 -0.806 -9.360 1.00 72.14 C ATOM 1484 O GLU A 88 5.907 0.345 -9.382 1.00 11.13 O ATOM 1485 CB GLU A 88 5.796 -2.655 -10.978 1.00 52.35 C ATOM 1486 CG GLU A 88 5.909 -3.194 -12.401 1.00 64.14 C ATOM 1487 CD GLU A 88 5.473 -2.174 -13.444 1.00 73.51 C ATOM 1488 OE1 GLU A 88 4.253 -1.916 -13.553 1.00 62.05 O ATOM 1489 OE2 GLU A 88 6.339 -1.624 -14.158 1.00 45.00 O ATOM 0 H GLU A 88 8.229 -3.025 -10.679 1.00 4.13 H new ATOM 0 HA GLU A 88 6.738 -0.784 -11.469 1.00 32.32 H new ATOM 0 HB2 GLU A 88 5.971 -3.472 -10.278 1.00 52.35 H new ATOM 0 HB3 GLU A 88 4.776 -2.308 -10.814 1.00 52.35 H new ATOM 0 HG2 GLU A 88 6.940 -3.489 -12.594 1.00 64.14 H new ATOM 0 HG3 GLU A 88 5.298 -4.091 -12.496 1.00 64.14 H new ATOM 1496 N ALA A 89 6.482 -1.501 -8.232 1.00 52.34 N ATOM 1497 CA ALA A 89 6.157 -0.928 -6.921 1.00 2.33 C ATOM 1498 C ALA A 89 6.979 0.341 -6.650 1.00 31.15 C ATOM 1499 O ALA A 89 6.461 1.338 -6.145 1.00 3.41 O ATOM 1500 CB ALA A 89 6.394 -1.959 -5.823 1.00 1.11 C ATOM 0 H ALA A 89 6.820 -2.463 -8.197 1.00 52.34 H new ATOM 0 HA ALA A 89 5.103 -0.650 -6.924 1.00 2.33 H new ATOM 0 HB1 ALA A 89 6.149 -1.522 -4.855 1.00 1.11 H new ATOM 0 HB2 ALA A 89 5.762 -2.829 -5.999 1.00 1.11 H new ATOM 0 HB3 ALA A 89 7.441 -2.264 -5.830 1.00 1.11 H new ATOM 1506 N LYS A 90 8.261 0.297 -7.010 1.00 1.54 N ATOM 1507 CA LYS A 90 9.157 1.446 -6.851 1.00 35.22 C ATOM 1508 C LYS A 90 8.691 2.648 -7.699 1.00 51.22 C ATOM 1509 O LYS A 90 8.807 3.799 -7.277 1.00 55.32 O ATOM 1510 CB LYS A 90 10.593 1.038 -7.219 1.00 42.34 C ATOM 1511 CG LYS A 90 11.154 -0.056 -6.310 1.00 21.01 C ATOM 1512 CD LYS A 90 12.487 -0.631 -6.801 1.00 41.34 C ATOM 1513 CE LYS A 90 13.641 0.370 -6.717 1.00 53.24 C ATOM 1514 NZ LYS A 90 13.621 1.362 -7.824 1.00 34.42 N ATOM 0 H LYS A 90 8.706 -0.526 -7.416 1.00 1.54 H new ATOM 0 HA LYS A 90 9.133 1.760 -5.808 1.00 35.22 H new ATOM 0 HB2 LYS A 90 10.613 0.690 -8.252 1.00 42.34 H new ATOM 0 HB3 LYS A 90 11.239 1.914 -7.165 1.00 42.34 H new ATOM 0 HG2 LYS A 90 11.289 0.349 -5.307 1.00 21.01 H new ATOM 0 HG3 LYS A 90 10.425 -0.863 -6.233 1.00 21.01 H new ATOM 0 HD2 LYS A 90 12.735 -1.513 -6.210 1.00 41.34 H new ATOM 0 HD3 LYS A 90 12.375 -0.961 -7.834 1.00 41.34 H new ATOM 0 HE2 LYS A 90 13.592 0.895 -5.763 1.00 53.24 H new ATOM 0 HE3 LYS A 90 14.587 -0.170 -6.736 1.00 53.24 H new ATOM 0 HZ1 LYS A 90 14.570 1.433 -8.244 1.00 34.42 H new ATOM 0 HZ2 LYS A 90 12.943 1.057 -8.551 1.00 34.42 H new ATOM 0 HZ3 LYS A 90 13.336 2.291 -7.453 1.00 34.42 H new ATOM 1528 N ARG A 91 8.159 2.370 -8.893 1.00 75.13 N ATOM 1529 CA ARG A 91 7.582 3.419 -9.748 1.00 52.01 C ATOM 1530 C ARG A 91 6.278 3.974 -9.147 1.00 1.31 C ATOM 1531 O ARG A 91 6.062 5.186 -9.126 1.00 3.15 O ATOM 1532 CB ARG A 91 7.330 2.883 -11.171 1.00 53.44 C ATOM 1533 CG ARG A 91 6.541 3.843 -12.069 1.00 54.24 C ATOM 1534 CD ARG A 91 6.438 3.336 -13.508 1.00 43.30 C ATOM 1535 NE ARG A 91 5.453 4.091 -14.293 1.00 75.44 N ATOM 1536 CZ ARG A 91 5.715 5.177 -14.980 1.00 75.34 C ATOM 1537 NH1 ARG A 91 6.898 5.700 -14.977 1.00 50.20 N ATOM 1538 NH2 ARG A 91 4.785 5.744 -15.675 1.00 61.42 N ATOM 0 H ARG A 91 8.115 1.432 -9.291 1.00 75.13 H new ATOM 0 HA ARG A 91 8.303 4.235 -9.804 1.00 52.01 H new ATOM 0 HB2 ARG A 91 8.289 2.667 -11.642 1.00 53.44 H new ATOM 0 HB3 ARG A 91 6.789 1.939 -11.102 1.00 53.44 H new ATOM 0 HG2 ARG A 91 5.539 3.979 -11.661 1.00 54.24 H new ATOM 0 HG3 ARG A 91 7.023 4.821 -12.064 1.00 54.24 H new ATOM 0 HD2 ARG A 91 7.414 3.408 -13.987 1.00 43.30 H new ATOM 0 HD3 ARG A 91 6.163 2.281 -13.501 1.00 43.30 H new ATOM 0 HE ARG A 91 4.494 3.745 -14.305 1.00 75.44 H new ATOM 0 HH11 ARG A 91 7.645 5.267 -14.434 1.00 50.20 H new ATOM 0 HH12 ARG A 91 7.083 6.545 -15.517 1.00 50.20 H new ATOM 0 HH21 ARG A 91 3.846 5.347 -15.690 1.00 61.42 H new ATOM 0 HH22 ARG A 91 4.990 6.589 -16.209 1.00 61.42 H new ATOM 1552 N TRP A 92 5.417 3.082 -8.653 1.00 73.00 N ATOM 1553 CA TRP A 92 4.150 3.495 -8.034 1.00 3.12 C ATOM 1554 C TRP A 92 4.383 4.389 -6.806 1.00 3.31 C ATOM 1555 O TRP A 92 3.684 5.387 -6.614 1.00 35.24 O ATOM 1556 CB TRP A 92 3.301 2.269 -7.652 1.00 53.01 C ATOM 1557 CG TRP A 92 2.723 1.550 -8.843 1.00 62.10 C ATOM 1558 CD1 TRP A 92 2.976 0.269 -9.244 1.00 53.25 C ATOM 1559 CD2 TRP A 92 1.792 2.087 -9.790 1.00 33.55 C ATOM 1560 NE1 TRP A 92 2.260 -0.022 -10.381 1.00 71.10 N ATOM 1561 CE2 TRP A 92 1.525 1.079 -10.735 1.00 54.41 C ATOM 1562 CE3 TRP A 92 1.156 3.324 -9.928 1.00 55.34 C ATOM 1563 CZ2 TRP A 92 0.653 1.274 -11.805 1.00 31.22 C ATOM 1564 CZ3 TRP A 92 0.290 3.515 -10.987 1.00 53.20 C ATOM 1565 CH2 TRP A 92 0.042 2.495 -11.912 1.00 41.53 C ATOM 0 H TRP A 92 5.570 2.074 -8.668 1.00 73.00 H new ATOM 0 HA TRP A 92 3.604 4.081 -8.773 1.00 3.12 H new ATOM 0 HB2 TRP A 92 3.916 1.574 -7.080 1.00 53.01 H new ATOM 0 HB3 TRP A 92 2.488 2.588 -6.999 1.00 53.01 H new ATOM 0 HD1 TRP A 92 3.642 -0.416 -8.741 1.00 53.25 H new ATOM 0 HE1 TRP A 92 2.274 -0.912 -10.879 1.00 71.10 H new ATOM 0 HE3 TRP A 92 1.339 4.117 -9.218 1.00 55.34 H new ATOM 0 HZ2 TRP A 92 0.466 0.490 -12.524 1.00 31.22 H new ATOM 0 HZ3 TRP A 92 -0.204 4.468 -11.103 1.00 53.20 H new ATOM 0 HH2 TRP A 92 -0.645 2.674 -12.726 1.00 41.53 H new ATOM 1576 N ILE A 93 5.369 4.033 -5.981 1.00 71.43 N ATOM 1577 CA ILE A 93 5.746 4.856 -4.824 1.00 33.44 C ATOM 1578 C ILE A 93 6.277 6.231 -5.271 1.00 0.21 C ATOM 1579 O ILE A 93 5.979 7.257 -4.655 1.00 72.00 O ATOM 1580 CB ILE A 93 6.813 4.145 -3.947 1.00 45.41 C ATOM 1581 CG1 ILE A 93 6.245 2.829 -3.381 1.00 75.33 C ATOM 1582 CG2 ILE A 93 7.291 5.059 -2.812 1.00 62.14 C ATOM 1583 CD1 ILE A 93 7.241 2.029 -2.569 1.00 44.13 C ATOM 0 H ILE A 93 5.922 3.183 -6.090 1.00 71.43 H new ATOM 0 HA ILE A 93 4.845 5.002 -4.228 1.00 33.44 H new ATOM 0 HB ILE A 93 7.673 3.914 -4.575 1.00 45.41 H new ATOM 0 HG12 ILE A 93 5.381 3.057 -2.756 1.00 75.33 H new ATOM 0 HG13 ILE A 93 5.888 2.214 -4.207 1.00 75.33 H new ATOM 0 HG21 ILE A 93 8.037 4.536 -2.214 1.00 62.14 H new ATOM 0 HG22 ILE A 93 7.732 5.962 -3.233 1.00 62.14 H new ATOM 0 HG23 ILE A 93 6.444 5.329 -2.181 1.00 62.14 H new ATOM 0 HD11 ILE A 93 6.766 1.118 -2.206 1.00 44.13 H new ATOM 0 HD12 ILE A 93 8.095 1.768 -3.195 1.00 44.13 H new ATOM 0 HD13 ILE A 93 7.581 2.624 -1.721 1.00 44.13 H new ATOM 1595 N LYS A 94 7.059 6.239 -6.352 1.00 51.30 N ATOM 1596 CA LYS A 94 7.580 7.482 -6.933 1.00 14.34 C ATOM 1597 C LYS A 94 6.442 8.443 -7.333 1.00 23.15 C ATOM 1598 O LYS A 94 6.384 9.582 -6.857 1.00 63.13 O ATOM 1599 CB LYS A 94 8.451 7.150 -8.158 1.00 34.11 C ATOM 1600 CG LYS A 94 8.835 8.364 -8.999 1.00 70.11 C ATOM 1601 CD LYS A 94 9.621 7.962 -10.249 1.00 22.32 C ATOM 1602 CE LYS A 94 9.862 9.144 -11.180 1.00 31.13 C ATOM 1603 NZ LYS A 94 8.585 9.749 -11.650 1.00 54.13 N ATOM 0 H LYS A 94 7.348 5.395 -6.846 1.00 51.30 H new ATOM 0 HA LYS A 94 8.184 7.985 -6.178 1.00 14.34 H new ATOM 0 HB2 LYS A 94 9.361 6.654 -7.819 1.00 34.11 H new ATOM 0 HB3 LYS A 94 7.916 6.440 -8.788 1.00 34.11 H new ATOM 0 HG2 LYS A 94 7.934 8.902 -9.293 1.00 70.11 H new ATOM 0 HG3 LYS A 94 9.433 9.049 -8.398 1.00 70.11 H new ATOM 0 HD2 LYS A 94 10.578 7.534 -9.952 1.00 22.32 H new ATOM 0 HD3 LYS A 94 9.076 7.184 -10.785 1.00 22.32 H new ATOM 0 HE2 LYS A 94 10.453 9.900 -10.662 1.00 31.13 H new ATOM 0 HE3 LYS A 94 10.447 8.816 -12.040 1.00 31.13 H new ATOM 0 HZ1 LYS A 94 8.731 10.188 -12.582 1.00 54.13 H new ATOM 0 HZ2 LYS A 94 7.858 9.010 -11.726 1.00 54.13 H new ATOM 0 HZ3 LYS A 94 8.273 10.473 -10.971 1.00 54.13 H new ATOM 1617 N GLU A 95 5.532 7.968 -8.186 1.00 5.14 N ATOM 1618 CA GLU A 95 4.400 8.781 -8.655 1.00 43.13 C ATOM 1619 C GLU A 95 3.514 9.244 -7.484 1.00 31.34 C ATOM 1620 O GLU A 95 3.212 10.434 -7.343 1.00 21.20 O ATOM 1621 CB GLU A 95 3.553 7.984 -9.661 1.00 31.14 C ATOM 1622 CG GLU A 95 4.338 7.437 -10.854 1.00 45.35 C ATOM 1623 CD GLU A 95 5.027 8.527 -11.662 1.00 73.40 C ATOM 1624 OE1 GLU A 95 4.319 9.334 -12.302 1.00 54.31 O ATOM 1625 OE2 GLU A 95 6.274 8.585 -11.654 1.00 75.24 O ATOM 0 H GLU A 95 5.554 7.023 -8.569 1.00 5.14 H new ATOM 0 HA GLU A 95 4.809 9.665 -9.143 1.00 43.13 H new ATOM 0 HB2 GLU A 95 3.080 7.151 -9.140 1.00 31.14 H new ATOM 0 HB3 GLU A 95 2.752 8.624 -10.031 1.00 31.14 H new ATOM 0 HG2 GLU A 95 5.086 6.730 -10.496 1.00 45.35 H new ATOM 0 HG3 GLU A 95 3.661 6.883 -11.504 1.00 45.35 H new ATOM 1632 N PHE A 96 3.111 8.290 -6.642 1.00 31.34 N ATOM 1633 CA PHE A 96 2.286 8.575 -5.460 1.00 42.53 C ATOM 1634 C PHE A 96 2.909 9.680 -4.590 1.00 53.35 C ATOM 1635 O PHE A 96 2.205 10.566 -4.092 1.00 71.23 O ATOM 1636 CB PHE A 96 2.103 7.292 -4.637 1.00 13.31 C ATOM 1637 CG PHE A 96 1.298 7.475 -3.373 1.00 54.30 C ATOM 1638 CD1 PHE A 96 -0.089 7.516 -3.415 1.00 45.31 C ATOM 1639 CD2 PHE A 96 1.929 7.601 -2.143 1.00 21.30 C ATOM 1640 CE1 PHE A 96 -0.826 7.681 -2.259 1.00 14.23 C ATOM 1641 CE2 PHE A 96 1.196 7.764 -0.986 1.00 0.24 C ATOM 1642 CZ PHE A 96 -0.182 7.804 -1.044 1.00 2.11 C ATOM 0 H PHE A 96 3.344 7.304 -6.757 1.00 31.34 H new ATOM 0 HA PHE A 96 1.314 8.932 -5.801 1.00 42.53 H new ATOM 0 HB2 PHE A 96 1.615 6.542 -5.259 1.00 13.31 H new ATOM 0 HB3 PHE A 96 3.085 6.899 -4.375 1.00 13.31 H new ATOM 0 HD1 PHE A 96 -0.597 7.418 -4.363 1.00 45.31 H new ATOM 0 HD2 PHE A 96 3.007 7.571 -2.091 1.00 21.30 H new ATOM 0 HE1 PHE A 96 -1.905 7.714 -2.305 1.00 14.23 H new ATOM 0 HE2 PHE A 96 1.700 7.860 -0.036 1.00 0.24 H new ATOM 0 HZ PHE A 96 -0.757 7.932 -0.139 1.00 2.11 H new ATOM 1652 N SER A 97 4.230 9.623 -4.415 1.00 35.25 N ATOM 1653 CA SER A 97 4.957 10.628 -3.623 1.00 4.33 C ATOM 1654 C SER A 97 4.948 12.007 -4.302 1.00 71.23 C ATOM 1655 O SER A 97 4.857 13.038 -3.631 1.00 4.14 O ATOM 1656 CB SER A 97 6.407 10.179 -3.389 1.00 32.52 C ATOM 1657 OG SER A 97 7.136 11.139 -2.633 1.00 33.34 O ATOM 0 H SER A 97 4.823 8.893 -4.810 1.00 35.25 H new ATOM 0 HA SER A 97 4.443 10.718 -2.666 1.00 4.33 H new ATOM 0 HB2 SER A 97 6.413 9.223 -2.866 1.00 32.52 H new ATOM 0 HB3 SER A 97 6.899 10.021 -4.349 1.00 32.52 H new ATOM 0 HG SER A 97 8.087 10.903 -2.636 1.00 33.34 H new ATOM 1663 N GLU A 98 5.037 12.022 -5.635 1.00 33.21 N ATOM 1664 CA GLU A 98 5.052 13.283 -6.392 1.00 2.35 C ATOM 1665 C GLU A 98 3.674 13.966 -6.408 1.00 63.01 C ATOM 1666 O GLU A 98 3.584 15.191 -6.537 1.00 53.31 O ATOM 1667 CB GLU A 98 5.552 13.050 -7.827 1.00 55.01 C ATOM 1668 CG GLU A 98 7.008 12.597 -7.899 1.00 2.14 C ATOM 1669 CD GLU A 98 7.548 12.566 -9.322 1.00 25.45 C ATOM 1670 OE1 GLU A 98 7.404 11.531 -9.999 1.00 41.42 O ATOM 1671 OE2 GLU A 98 8.118 13.584 -9.774 1.00 32.40 O ATOM 0 H GLU A 98 5.099 11.183 -6.212 1.00 33.21 H new ATOM 0 HA GLU A 98 5.743 13.954 -5.882 1.00 2.35 H new ATOM 0 HB2 GLU A 98 4.922 12.300 -8.305 1.00 55.01 H new ATOM 0 HB3 GLU A 98 5.438 13.972 -8.397 1.00 55.01 H new ATOM 0 HG2 GLU A 98 7.622 13.267 -7.297 1.00 2.14 H new ATOM 0 HG3 GLU A 98 7.096 11.603 -7.460 1.00 2.14 H new