USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=26 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 9 SER OG : rot 180:sc= -0.1 USER MOD Set 1.2: A 59 SER OG : rot 174:sc= 0 USER MOD Set 2.1: A 31 THR OG1 : rot -170:sc= -0.0868 USER MOD Set 2.2: A 33 LYS NZ :NH3+ -134:sc= 0.0421 (180deg=-0.121) USER MOD Single : A 1 MET CE :methyl -172:sc= -0.71 (180deg=-0.964) 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 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.068) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -150:sc= 1.13 (180deg=0.102) USER MOD Single : A 21 MET CE :methyl -149:sc= -0.29 (180deg=-1.09) USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= 0.789 (180deg=0.379) USER MOD Single : A 26 ASN : amide:sc= -1.4! K(o=-1.4!,f=-0.27) USER MOD Single : A 34 THR OG1 : rot -141:sc= -1.86! USER MOD Single : A 39 LYS NZ :NH3+ -138:sc= 0.753 (180deg=0.367) USER MOD Single : A 40 LYS NZ :NH3+ -173:sc= 2.01 (180deg=1.86) USER MOD Single : A 41 TYR OH : rot 69:sc= 0.77 USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= 1.05 (180deg=0.708) USER MOD Single : A 49 SER OG : rot -37:sc= 0.716 USER MOD Single : A 50 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.066) USER MOD Single : A 51 ASN : amide:sc= -0.0208 X(o=-0.021,f=-0.021) USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= 1.16 (180deg=0.389) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 66 LYS NZ :NH3+ 167:sc= -2.98! (180deg=-3.31!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0838 X(o=-0.084,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 132:sc= -2.08! (180deg=-2.81!) USER MOD Single : A 74 MET CE :methyl -160:sc= -0.293 (180deg=-1.23) USER MOD Single : A 80 THR OG1 : rot -120:sc= -0.213 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 1.13 (180deg=1.11) USER MOD Single : A 94 LYS NZ :NH3+ 141:sc= 1 (180deg=-0.116) USER MOD Single : A 97 SER OG : rot 115:sc= 0.108 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.354 16.797 3.572 1.00 13.41 N ATOM 2 CA MET A 1 -0.605 15.677 3.360 1.00 74.20 C ATOM 3 C MET A 1 -0.001 14.354 3.848 1.00 32.41 C ATOM 4 O MET A 1 1.115 13.998 3.465 1.00 23.35 O ATOM 5 CB MET A 1 -0.955 15.563 1.867 1.00 71.15 C ATOM 6 CG MET A 1 -2.110 14.615 1.560 1.00 60.44 C ATOM 7 SD MET A 1 -3.699 15.263 2.112 1.00 73.24 S ATOM 8 CE MET A 1 -4.822 14.024 1.468 1.00 13.25 C ATOM 0 H1 MET A 1 -0.070 17.685 3.236 1.00 13.41 H new ATOM 0 H2 MET A 1 0.573 16.879 4.585 1.00 13.41 H new ATOM 0 H3 MET A 1 1.229 16.610 3.042 1.00 13.41 H new ATOM 0 HA MET A 1 -1.510 15.883 3.931 1.00 74.20 H new ATOM 0 HB2 MET A 1 -1.204 16.554 1.488 1.00 71.15 H new ATOM 0 HB3 MET A 1 -0.072 15.227 1.324 1.00 71.15 H new ATOM 0 HG2 MET A 1 -2.149 14.431 0.486 1.00 60.44 H new ATOM 0 HG3 MET A 1 -1.926 13.655 2.042 1.00 60.44 H new ATOM 0 HE1 MET A 1 -5.850 14.358 1.605 1.00 13.25 H new ATOM 0 HE2 MET A 1 -4.628 13.874 0.406 1.00 13.25 H new ATOM 0 HE3 MET A 1 -4.672 13.085 2.000 1.00 13.25 H new ATOM 20 N LEU A 2 -0.736 13.624 4.684 1.00 1.55 N ATOM 21 CA LEU A 2 -0.253 12.342 5.207 1.00 45.44 C ATOM 22 C LEU A 2 -0.308 11.255 4.120 1.00 23.14 C ATOM 23 O LEU A 2 -1.372 10.946 3.585 1.00 44.35 O ATOM 24 CB LEU A 2 -1.067 11.899 6.439 1.00 12.21 C ATOM 25 CG LEU A 2 -1.073 12.877 7.638 1.00 43.53 C ATOM 26 CD1 LEU A 2 -2.170 13.930 7.498 1.00 22.34 C ATOM 27 CD2 LEU A 2 -1.225 12.118 8.954 1.00 44.01 C ATOM 0 H LEU A 2 -1.663 13.893 5.014 1.00 1.55 H new ATOM 0 HA LEU A 2 0.784 12.481 5.514 1.00 45.44 H new ATOM 0 HB2 LEU A 2 -2.098 11.732 6.127 1.00 12.21 H new ATOM 0 HB3 LEU A 2 -0.678 10.940 6.781 1.00 12.21 H new ATOM 0 HG LEU A 2 -0.114 13.395 7.643 1.00 43.53 H new ATOM 0 HD11 LEU A 2 -2.144 14.599 8.358 1.00 22.34 H new ATOM 0 HD12 LEU A 2 -2.008 14.505 6.586 1.00 22.34 H new ATOM 0 HD13 LEU A 2 -3.142 13.439 7.450 1.00 22.34 H new ATOM 0 HD21 LEU A 2 -1.227 12.825 9.784 1.00 44.01 H new ATOM 0 HD22 LEU A 2 -2.163 11.563 8.948 1.00 44.01 H new ATOM 0 HD23 LEU A 2 -0.394 11.423 9.071 1.00 44.01 H new ATOM 39 N LEU A 3 0.846 10.682 3.790 1.00 71.21 N ATOM 40 CA LEU A 3 0.937 9.675 2.722 1.00 2.35 C ATOM 41 C LEU A 3 1.572 8.369 3.231 1.00 61.10 C ATOM 42 O LEU A 3 2.712 8.357 3.702 1.00 45.51 O ATOM 43 CB LEU A 3 1.749 10.235 1.544 1.00 21.21 C ATOM 44 CG LEU A 3 1.140 11.466 0.841 1.00 50.42 C ATOM 45 CD1 LEU A 3 2.127 12.064 -0.162 1.00 74.23 C ATOM 46 CD2 LEU A 3 -0.169 11.102 0.148 1.00 12.02 C ATOM 0 H LEU A 3 1.735 10.894 4.243 1.00 71.21 H new ATOM 0 HA LEU A 3 -0.075 9.444 2.388 1.00 2.35 H new ATOM 0 HB2 LEU A 3 2.743 10.499 1.904 1.00 21.21 H new ATOM 0 HB3 LEU A 3 1.877 9.444 0.806 1.00 21.21 H new ATOM 0 HG LEU A 3 0.928 12.217 1.602 1.00 50.42 H new ATOM 0 HD11 LEU A 3 1.675 12.930 -0.645 1.00 74.23 H new ATOM 0 HD12 LEU A 3 3.034 12.371 0.359 1.00 74.23 H new ATOM 0 HD13 LEU A 3 2.377 11.318 -0.916 1.00 74.23 H new ATOM 0 HD21 LEU A 3 -0.580 11.985 -0.341 1.00 12.02 H new ATOM 0 HD22 LEU A 3 0.017 10.328 -0.597 1.00 12.02 H new ATOM 0 HD23 LEU A 3 -0.881 10.732 0.886 1.00 12.02 H new ATOM 58 N TYR A 4 0.825 7.269 3.131 1.00 63.32 N ATOM 59 CA TYR A 4 1.284 5.962 3.627 1.00 62.22 C ATOM 60 C TYR A 4 1.206 4.880 2.537 1.00 2.22 C ATOM 61 O TYR A 4 0.485 5.032 1.550 1.00 64.11 O ATOM 62 CB TYR A 4 0.456 5.540 4.853 1.00 53.31 C ATOM 63 CG TYR A 4 0.668 6.430 6.066 1.00 22.25 C ATOM 64 CD1 TYR A 4 -0.080 7.589 6.250 1.00 63.10 C ATOM 65 CD2 TYR A 4 1.623 6.112 7.023 1.00 52.35 C ATOM 66 CE1 TYR A 4 0.122 8.402 7.350 1.00 73.14 C ATOM 67 CE2 TYR A 4 1.828 6.920 8.126 1.00 35.32 C ATOM 68 CZ TYR A 4 1.075 8.062 8.285 1.00 0.02 C ATOM 69 OH TYR A 4 1.284 8.870 9.379 1.00 30.04 O ATOM 0 H TYR A 4 -0.104 7.253 2.710 1.00 63.32 H new ATOM 0 HA TYR A 4 2.330 6.066 3.916 1.00 62.22 H new ATOM 0 HB2 TYR A 4 -0.601 5.548 4.587 1.00 53.31 H new ATOM 0 HB3 TYR A 4 0.711 4.514 5.117 1.00 53.31 H new ATOM 0 HD1 TYR A 4 -0.831 7.858 5.522 1.00 63.10 H new ATOM 0 HD2 TYR A 4 2.216 5.217 6.903 1.00 52.35 H new ATOM 0 HE1 TYR A 4 -0.465 9.300 7.476 1.00 73.14 H new ATOM 0 HE2 TYR A 4 2.575 6.657 8.860 1.00 35.32 H new ATOM 0 HH TYR A 4 1.990 8.485 9.940 1.00 30.04 H new ATOM 79 N VAL A 5 1.952 3.789 2.716 1.00 61.20 N ATOM 80 CA VAL A 5 1.990 2.699 1.729 1.00 71.32 C ATOM 81 C VAL A 5 1.771 1.322 2.384 1.00 14.33 C ATOM 82 O VAL A 5 2.323 1.029 3.445 1.00 31.22 O ATOM 83 CB VAL A 5 3.338 2.683 0.957 1.00 51.03 C ATOM 84 CG1 VAL A 5 3.355 1.582 -0.104 1.00 20.23 C ATOM 85 CG2 VAL A 5 3.621 4.047 0.326 1.00 24.23 C ATOM 0 H VAL A 5 2.540 3.633 3.535 1.00 61.20 H new ATOM 0 HA VAL A 5 1.175 2.889 1.031 1.00 71.32 H new ATOM 0 HB VAL A 5 4.129 2.468 1.675 1.00 51.03 H new ATOM 0 HG11 VAL A 5 4.311 1.596 -0.627 1.00 20.23 H new ATOM 0 HG12 VAL A 5 3.218 0.613 0.375 1.00 20.23 H new ATOM 0 HG13 VAL A 5 2.548 1.752 -0.817 1.00 20.23 H new ATOM 0 HG21 VAL A 5 4.570 4.011 -0.209 1.00 24.23 H new ATOM 0 HG22 VAL A 5 2.821 4.299 -0.371 1.00 24.23 H new ATOM 0 HG23 VAL A 5 3.674 4.805 1.107 1.00 24.23 H new ATOM 95 N LEU A 6 0.956 0.488 1.741 1.00 3.23 N ATOM 96 CA LEU A 6 0.716 -0.893 2.181 1.00 51.51 C ATOM 97 C LEU A 6 1.092 -1.879 1.065 1.00 24.04 C ATOM 98 O LEU A 6 0.673 -1.715 -0.080 1.00 35.34 O ATOM 99 CB LEU A 6 -0.760 -1.089 2.565 1.00 74.13 C ATOM 100 CG LEU A 6 -1.274 -0.206 3.715 1.00 23.34 C ATOM 101 CD1 LEU A 6 -2.755 -0.470 3.980 1.00 24.31 C ATOM 102 CD2 LEU A 6 -0.450 -0.425 4.984 1.00 11.53 C ATOM 0 H LEU A 6 0.441 0.747 0.899 1.00 3.23 H new ATOM 0 HA LEU A 6 1.338 -1.085 3.056 1.00 51.51 H new ATOM 0 HB2 LEU A 6 -1.374 -0.900 1.684 1.00 74.13 H new ATOM 0 HB3 LEU A 6 -0.909 -2.133 2.839 1.00 74.13 H new ATOM 0 HG LEU A 6 -1.161 0.836 3.415 1.00 23.34 H new ATOM 0 HD11 LEU A 6 -3.097 0.165 4.797 1.00 24.31 H new ATOM 0 HD12 LEU A 6 -3.331 -0.247 3.082 1.00 24.31 H new ATOM 0 HD13 LEU A 6 -2.895 -1.516 4.251 1.00 24.31 H new ATOM 0 HD21 LEU A 6 -0.834 0.211 5.781 1.00 11.53 H new ATOM 0 HD22 LEU A 6 -0.520 -1.470 5.287 1.00 11.53 H new ATOM 0 HD23 LEU A 6 0.592 -0.173 4.789 1.00 11.53 H new ATOM 114 N ILE A 7 1.879 -2.903 1.389 1.00 54.43 N ATOM 115 CA ILE A 7 2.330 -3.867 0.374 1.00 71.30 C ATOM 116 C ILE A 7 1.879 -5.304 0.690 1.00 13.23 C ATOM 117 O ILE A 7 2.027 -5.784 1.815 1.00 64.04 O ATOM 118 CB ILE A 7 3.872 -3.830 0.206 1.00 15.23 C ATOM 119 CG1 ILE A 7 4.316 -4.783 -0.919 1.00 74.55 C ATOM 120 CG2 ILE A 7 4.573 -4.174 1.519 1.00 23.51 C ATOM 121 CD1 ILE A 7 5.806 -4.767 -1.181 1.00 51.32 C ATOM 0 H ILE A 7 2.217 -3.090 2.333 1.00 54.43 H new ATOM 0 HA ILE A 7 1.861 -3.564 -0.562 1.00 71.30 H new ATOM 0 HB ILE A 7 4.160 -2.816 -0.071 1.00 15.23 H new ATOM 0 HG12 ILE A 7 4.013 -5.798 -0.663 1.00 74.55 H new ATOM 0 HG13 ILE A 7 3.792 -4.515 -1.837 1.00 74.55 H new ATOM 0 HG21 ILE A 7 5.653 -4.141 1.374 1.00 23.51 H new ATOM 0 HG22 ILE A 7 4.287 -3.452 2.284 1.00 23.51 H new ATOM 0 HG23 ILE A 7 4.280 -5.175 1.837 1.00 23.51 H new ATOM 0 HD11 ILE A 7 6.041 -5.463 -1.986 1.00 51.32 H new ATOM 0 HD12 ILE A 7 6.114 -3.762 -1.469 1.00 51.32 H new ATOM 0 HD13 ILE A 7 6.338 -5.065 -0.277 1.00 51.32 H new ATOM 133 N ILE A 8 1.323 -5.975 -0.317 1.00 54.34 N ATOM 134 CA ILE A 8 0.884 -7.371 -0.198 1.00 24.23 C ATOM 135 C ILE A 8 1.667 -8.265 -1.177 1.00 50.23 C ATOM 136 O ILE A 8 1.412 -8.252 -2.384 1.00 13.30 O ATOM 137 CB ILE A 8 -0.633 -7.506 -0.500 1.00 32.23 C ATOM 138 CG1 ILE A 8 -1.447 -6.548 0.388 1.00 65.24 C ATOM 139 CG2 ILE A 8 -1.100 -8.953 -0.305 1.00 62.35 C ATOM 140 CD1 ILE A 8 -2.935 -6.546 0.100 1.00 71.13 C ATOM 0 H ILE A 8 1.163 -5.570 -1.239 1.00 54.34 H new ATOM 0 HA ILE A 8 1.075 -7.689 0.827 1.00 24.23 H new ATOM 0 HB ILE A 8 -0.799 -7.234 -1.542 1.00 32.23 H new ATOM 0 HG12 ILE A 8 -1.291 -6.818 1.432 1.00 65.24 H new ATOM 0 HG13 ILE A 8 -1.062 -5.536 0.259 1.00 65.24 H new ATOM 0 HG21 ILE A 8 -2.166 -9.024 -0.522 1.00 62.35 H new ATOM 0 HG22 ILE A 8 -0.548 -9.607 -0.980 1.00 62.35 H new ATOM 0 HG23 ILE A 8 -0.919 -9.258 0.726 1.00 62.35 H new ATOM 0 HD11 ILE A 8 -3.434 -5.845 0.769 1.00 71.13 H new ATOM 0 HD12 ILE A 8 -3.105 -6.245 -0.934 1.00 71.13 H new ATOM 0 HD13 ILE A 8 -3.337 -7.547 0.258 1.00 71.13 H new ATOM 152 N SER A 9 2.620 -9.036 -0.655 1.00 35.41 N ATOM 153 CA SER A 9 3.458 -9.907 -1.496 1.00 23.02 C ATOM 154 C SER A 9 4.133 -11.008 -0.672 1.00 70.22 C ATOM 155 O SER A 9 4.158 -10.952 0.557 1.00 51.32 O ATOM 156 CB SER A 9 4.531 -9.086 -2.228 1.00 24.25 C ATOM 157 OG SER A 9 5.300 -9.905 -3.101 1.00 23.40 O ATOM 0 H SER A 9 2.835 -9.079 0.341 1.00 35.41 H new ATOM 0 HA SER A 9 2.800 -10.377 -2.227 1.00 23.02 H new ATOM 0 HB2 SER A 9 4.056 -8.288 -2.799 1.00 24.25 H new ATOM 0 HB3 SER A 9 5.188 -8.610 -1.500 1.00 24.25 H new ATOM 0 HG SER A 9 5.974 -9.357 -3.555 1.00 23.40 H new ATOM 163 N ASN A 10 4.693 -12.004 -1.359 1.00 63.21 N ATOM 164 CA ASN A 10 5.400 -13.110 -0.698 1.00 40.25 C ATOM 165 C ASN A 10 6.908 -13.065 -0.989 1.00 71.12 C ATOM 166 O ASN A 10 7.682 -13.860 -0.447 1.00 10.11 O ATOM 167 CB ASN A 10 4.825 -14.450 -1.163 1.00 62.40 C ATOM 168 CG ASN A 10 3.345 -14.573 -0.858 1.00 42.15 C ATOM 169 OD1 ASN A 10 2.498 -14.219 -1.672 1.00 42.00 O ATOM 170 ND2 ASN A 10 3.015 -15.067 0.319 1.00 1.02 N ATOM 0 H ASN A 10 4.672 -12.071 -2.377 1.00 63.21 H new ATOM 0 HA ASN A 10 5.258 -13.003 0.377 1.00 40.25 H new ATOM 0 HB2 ASN A 10 4.984 -14.559 -2.236 1.00 62.40 H new ATOM 0 HB3 ASN A 10 5.364 -15.263 -0.677 1.00 62.40 H new ATOM 0 HD21 ASN A 10 2.032 -15.164 0.574 1.00 1.02 H new ATOM 0 HD22 ASN A 10 3.743 -15.353 0.974 1.00 1.02 H new ATOM 177 N ASP A 11 7.320 -12.139 -1.848 1.00 54.04 N ATOM 178 CA ASP A 11 8.724 -12.011 -2.241 1.00 32.04 C ATOM 179 C ASP A 11 9.420 -10.885 -1.468 1.00 40.23 C ATOM 180 O ASP A 11 9.182 -9.704 -1.724 1.00 13.31 O ATOM 181 CB ASP A 11 8.823 -11.751 -3.747 1.00 43.14 C ATOM 182 CG ASP A 11 8.317 -12.924 -4.565 1.00 13.15 C ATOM 183 OD1 ASP A 11 7.085 -13.096 -4.673 1.00 31.53 O ATOM 184 OD2 ASP A 11 9.152 -13.685 -5.096 1.00 41.23 O ATOM 0 H ASP A 11 6.699 -11.461 -2.289 1.00 54.04 H new ATOM 0 HA ASP A 11 9.229 -12.947 -2.000 1.00 32.04 H new ATOM 0 HB2 ASP A 11 8.248 -10.860 -3.999 1.00 43.14 H new ATOM 0 HB3 ASP A 11 9.860 -11.546 -4.011 1.00 43.14 H new ATOM 189 N LYS A 12 10.287 -11.254 -0.528 1.00 24.40 N ATOM 190 CA LYS A 12 11.034 -10.269 0.258 1.00 53.43 C ATOM 191 C LYS A 12 11.940 -9.417 -0.637 1.00 13.01 C ATOM 192 O LYS A 12 12.235 -8.269 -0.321 1.00 73.33 O ATOM 193 CB LYS A 12 11.851 -10.961 1.359 1.00 35.42 C ATOM 194 CG LYS A 12 10.988 -11.611 2.437 1.00 73.55 C ATOM 195 CD LYS A 12 10.048 -10.598 3.089 1.00 3.32 C ATOM 196 CE LYS A 12 9.137 -11.245 4.126 1.00 44.23 C ATOM 197 NZ LYS A 12 9.904 -11.809 5.266 1.00 30.40 N ATOM 0 H LYS A 12 10.491 -12.225 -0.291 1.00 24.40 H new ATOM 0 HA LYS A 12 10.313 -9.603 0.732 1.00 53.43 H new ATOM 0 HB2 LYS A 12 12.487 -11.721 0.906 1.00 35.42 H new ATOM 0 HB3 LYS A 12 12.512 -10.230 1.825 1.00 35.42 H new ATOM 0 HG2 LYS A 12 10.404 -12.420 1.998 1.00 73.55 H new ATOM 0 HG3 LYS A 12 11.629 -12.056 3.198 1.00 73.55 H new ATOM 0 HD2 LYS A 12 10.636 -9.812 3.563 1.00 3.32 H new ATOM 0 HD3 LYS A 12 9.440 -10.121 2.320 1.00 3.32 H new ATOM 0 HE2 LYS A 12 8.427 -10.505 4.497 1.00 44.23 H new ATOM 0 HE3 LYS A 12 8.555 -12.036 3.654 1.00 44.23 H new ATOM 0 HZ1 LYS A 12 9.244 -12.133 6.002 1.00 30.40 H new ATOM 0 HZ2 LYS A 12 10.476 -12.613 4.936 1.00 30.40 H new ATOM 0 HZ3 LYS A 12 10.530 -11.077 5.659 1.00 30.40 H new ATOM 211 N LYS A 13 12.370 -9.981 -1.764 1.00 40.34 N ATOM 212 CA LYS A 13 13.140 -9.221 -2.755 1.00 44.33 C ATOM 213 C LYS A 13 12.330 -8.012 -3.255 1.00 33.55 C ATOM 214 O LYS A 13 12.849 -6.903 -3.388 1.00 34.13 O ATOM 215 CB LYS A 13 13.524 -10.124 -3.938 1.00 1.30 C ATOM 216 CG LYS A 13 14.300 -11.397 -3.567 1.00 53.32 C ATOM 217 CD LYS A 13 15.693 -11.113 -2.990 1.00 25.21 C ATOM 218 CE LYS A 13 15.668 -10.843 -1.486 1.00 4.52 C ATOM 219 NZ LYS A 13 17.017 -10.517 -0.953 1.00 62.11 N ATOM 0 H LYS A 13 12.201 -10.955 -2.016 1.00 40.34 H new ATOM 0 HA LYS A 13 14.051 -8.858 -2.279 1.00 44.33 H new ATOM 0 HB2 LYS A 13 12.614 -10.413 -4.463 1.00 1.30 H new ATOM 0 HB3 LYS A 13 14.125 -9.543 -4.637 1.00 1.30 H new ATOM 0 HG2 LYS A 13 13.722 -11.967 -2.839 1.00 53.32 H new ATOM 0 HG3 LYS A 13 14.402 -12.023 -4.453 1.00 53.32 H new ATOM 0 HD2 LYS A 13 16.345 -11.963 -3.191 1.00 25.21 H new ATOM 0 HD3 LYS A 13 16.125 -10.253 -3.502 1.00 25.21 H new ATOM 0 HE2 LYS A 13 14.987 -10.017 -1.278 1.00 4.52 H new ATOM 0 HE3 LYS A 13 15.276 -11.718 -0.968 1.00 4.52 H new ATOM 0 HZ1 LYS A 13 16.953 -10.341 0.070 1.00 62.11 H new ATOM 0 HZ2 LYS A 13 17.661 -11.314 -1.128 1.00 62.11 H new ATOM 0 HZ3 LYS A 13 17.382 -9.667 -1.428 1.00 62.11 H new ATOM 233 N LEU A 14 11.047 -8.248 -3.517 1.00 62.13 N ATOM 234 CA LEU A 14 10.121 -7.198 -3.955 1.00 72.41 C ATOM 235 C LEU A 14 9.754 -6.266 -2.784 1.00 14.32 C ATOM 236 O LEU A 14 9.718 -5.043 -2.932 1.00 63.01 O ATOM 237 CB LEU A 14 8.862 -7.861 -4.560 1.00 31.13 C ATOM 238 CG LEU A 14 7.860 -6.934 -5.289 1.00 35.31 C ATOM 239 CD1 LEU A 14 6.990 -7.742 -6.251 1.00 2.32 C ATOM 240 CD2 LEU A 14 6.972 -6.174 -4.303 1.00 32.01 C ATOM 0 H LEU A 14 10.617 -9.169 -3.433 1.00 62.13 H new ATOM 0 HA LEU A 14 10.601 -6.583 -4.716 1.00 72.41 H new ATOM 0 HB2 LEU A 14 9.188 -8.627 -5.264 1.00 31.13 H new ATOM 0 HB3 LEU A 14 8.329 -8.371 -3.757 1.00 31.13 H new ATOM 0 HG LEU A 14 8.442 -6.204 -5.852 1.00 35.31 H new ATOM 0 HD11 LEU A 14 6.291 -7.076 -6.756 1.00 2.32 H new ATOM 0 HD12 LEU A 14 7.623 -8.231 -6.991 1.00 2.32 H new ATOM 0 HD13 LEU A 14 6.435 -8.496 -5.693 1.00 2.32 H new ATOM 0 HD21 LEU A 14 6.282 -5.534 -4.853 1.00 32.01 H new ATOM 0 HD22 LEU A 14 6.406 -6.885 -3.701 1.00 32.01 H new ATOM 0 HD23 LEU A 14 7.594 -5.561 -3.651 1.00 32.01 H new ATOM 252 N ILE A 15 9.492 -6.860 -1.621 1.00 61.20 N ATOM 253 CA ILE A 15 9.072 -6.103 -0.433 1.00 63.20 C ATOM 254 C ILE A 15 10.155 -5.122 0.053 1.00 21.15 C ATOM 255 O ILE A 15 9.864 -3.953 0.324 1.00 22.25 O ATOM 256 CB ILE A 15 8.678 -7.061 0.726 1.00 51.20 C ATOM 257 CG1 ILE A 15 7.486 -7.945 0.304 1.00 45.53 C ATOM 258 CG2 ILE A 15 8.348 -6.276 1.998 1.00 3.12 C ATOM 259 CD1 ILE A 15 7.055 -8.949 1.354 1.00 74.02 C ATOM 0 H ILE A 15 9.562 -7.867 -1.471 1.00 61.20 H new ATOM 0 HA ILE A 15 8.202 -5.518 -0.732 1.00 63.20 H new ATOM 0 HB ILE A 15 9.530 -7.706 0.944 1.00 51.20 H new ATOM 0 HG12 ILE A 15 6.639 -7.303 0.062 1.00 45.53 H new ATOM 0 HG13 ILE A 15 7.750 -8.481 -0.608 1.00 45.53 H new ATOM 0 HG21 ILE A 15 8.076 -6.970 2.793 1.00 3.12 H new ATOM 0 HG22 ILE A 15 9.219 -5.697 2.304 1.00 3.12 H new ATOM 0 HG23 ILE A 15 7.514 -5.602 1.803 1.00 3.12 H new ATOM 0 HD11 ILE A 15 6.213 -9.530 0.978 1.00 74.02 H new ATOM 0 HD12 ILE A 15 7.885 -9.618 1.580 1.00 74.02 H new ATOM 0 HD13 ILE A 15 6.757 -8.422 2.260 1.00 74.02 H new ATOM 271 N GLU A 16 11.398 -5.595 0.161 1.00 21.30 N ATOM 272 CA GLU A 16 12.505 -4.746 0.621 1.00 4.42 C ATOM 273 C GLU A 16 12.659 -3.500 -0.261 1.00 34.21 C ATOM 274 O GLU A 16 12.645 -2.374 0.238 1.00 53.11 O ATOM 275 CB GLU A 16 13.828 -5.529 0.644 1.00 61.42 C ATOM 276 CG GLU A 16 13.873 -6.649 1.678 1.00 43.13 C ATOM 277 CD GLU A 16 13.662 -6.149 3.099 1.00 43.41 C ATOM 278 OE1 GLU A 16 14.592 -5.521 3.659 1.00 50.02 O ATOM 279 OE2 GLU A 16 12.574 -6.386 3.660 1.00 23.33 O ATOM 0 H GLU A 16 11.665 -6.554 -0.061 1.00 21.30 H new ATOM 0 HA GLU A 16 12.264 -4.426 1.635 1.00 4.42 H new ATOM 0 HB2 GLU A 16 14.003 -5.955 -0.344 1.00 61.42 H new ATOM 0 HB3 GLU A 16 14.645 -4.835 0.841 1.00 61.42 H new ATOM 0 HG2 GLU A 16 13.107 -7.388 1.440 1.00 43.13 H new ATOM 0 HG3 GLU A 16 14.836 -7.156 1.616 1.00 43.13 H new ATOM 286 N GLU A 17 12.774 -3.706 -1.574 1.00 44.24 N ATOM 287 CA GLU A 17 12.950 -2.598 -2.526 1.00 13.11 C ATOM 288 C GLU A 17 11.829 -1.556 -2.415 1.00 44.51 C ATOM 289 O GLU A 17 12.056 -0.359 -2.613 1.00 40.33 O ATOM 290 CB GLU A 17 13.043 -3.136 -3.962 1.00 4.33 C ATOM 291 CG GLU A 17 14.405 -3.736 -4.301 1.00 63.11 C ATOM 292 CD GLU A 17 15.518 -2.697 -4.276 1.00 2.22 C ATOM 293 OE1 GLU A 17 16.090 -2.446 -3.191 1.00 42.21 O ATOM 294 OE2 GLU A 17 15.806 -2.099 -5.334 1.00 62.44 O ATOM 0 H GLU A 17 12.749 -4.629 -2.007 1.00 44.24 H new ATOM 0 HA GLU A 17 13.884 -2.096 -2.271 1.00 13.11 H new ATOM 0 HB2 GLU A 17 12.274 -3.895 -4.108 1.00 4.33 H new ATOM 0 HB3 GLU A 17 12.828 -2.326 -4.659 1.00 4.33 H new ATOM 0 HG2 GLU A 17 14.636 -4.530 -3.591 1.00 63.11 H new ATOM 0 HG3 GLU A 17 14.362 -4.195 -5.289 1.00 63.11 H new ATOM 301 N ALA A 18 10.625 -2.016 -2.096 1.00 55.32 N ATOM 302 CA ALA A 18 9.505 -1.112 -1.841 1.00 43.14 C ATOM 303 C ALA A 18 9.761 -0.256 -0.587 1.00 1.31 C ATOM 304 O ALA A 18 9.516 0.953 -0.582 1.00 73.21 O ATOM 305 CB ALA A 18 8.212 -1.906 -1.697 1.00 71.44 C ATOM 0 H ALA A 18 10.397 -3.006 -2.007 1.00 55.32 H new ATOM 0 HA ALA A 18 9.408 -0.437 -2.691 1.00 43.14 H new ATOM 0 HB1 ALA A 18 7.384 -1.222 -1.507 1.00 71.44 H new ATOM 0 HB2 ALA A 18 8.021 -2.460 -2.616 1.00 71.44 H new ATOM 0 HB3 ALA A 18 8.304 -2.604 -0.865 1.00 71.44 H new ATOM 311 N ARG A 19 10.282 -0.887 0.471 1.00 73.40 N ATOM 312 CA ARG A 19 10.558 -0.180 1.728 1.00 25.25 C ATOM 313 C ARG A 19 11.683 0.854 1.560 1.00 44.44 C ATOM 314 O ARG A 19 11.587 1.962 2.090 1.00 1.40 O ATOM 315 CB ARG A 19 10.909 -1.166 2.854 1.00 30.11 C ATOM 316 CG ARG A 19 9.866 -2.267 3.061 1.00 50.24 C ATOM 317 CD ARG A 19 9.996 -2.935 4.428 1.00 15.12 C ATOM 318 NE ARG A 19 11.366 -3.353 4.719 1.00 42.54 N ATOM 319 CZ ARG A 19 11.694 -4.191 5.661 1.00 44.15 C ATOM 320 NH1 ARG A 19 10.791 -4.767 6.389 1.00 71.13 N ATOM 321 NH2 ARG A 19 12.937 -4.467 5.866 1.00 55.34 N ATOM 0 H ARG A 19 10.520 -1.879 0.483 1.00 73.40 H new ATOM 0 HA ARG A 19 9.647 0.351 2.003 1.00 25.25 H new ATOM 0 HB2 ARG A 19 11.871 -1.628 2.633 1.00 30.11 H new ATOM 0 HB3 ARG A 19 11.028 -0.612 3.785 1.00 30.11 H new ATOM 0 HG2 ARG A 19 8.867 -1.843 2.959 1.00 50.24 H new ATOM 0 HG3 ARG A 19 9.974 -3.019 2.279 1.00 50.24 H new ATOM 0 HD2 ARG A 19 9.659 -2.243 5.200 1.00 15.12 H new ATOM 0 HD3 ARG A 19 9.338 -3.803 4.468 1.00 15.12 H new ATOM 0 HE ARG A 19 12.115 -2.963 4.147 1.00 42.54 H new ATOM 0 HH11 ARG A 19 9.804 -4.567 6.229 1.00 71.13 H new ATOM 0 HH12 ARG A 19 11.067 -5.420 7.122 1.00 71.13 H new ATOM 0 HH21 ARG A 19 13.658 -4.030 5.292 1.00 55.34 H new ATOM 0 HH22 ARG A 19 13.199 -5.122 6.602 1.00 55.34 H new ATOM 335 N LYS A 20 12.744 0.498 0.822 1.00 31.32 N ATOM 336 CA LYS A 20 13.816 1.463 0.508 1.00 61.10 C ATOM 337 C LYS A 20 13.225 2.743 -0.102 1.00 33.11 C ATOM 338 O LYS A 20 13.445 3.846 0.399 1.00 73.45 O ATOM 339 CB LYS A 20 14.850 0.883 -0.480 1.00 60.41 C ATOM 340 CG LYS A 20 15.910 -0.046 0.126 1.00 41.21 C ATOM 341 CD LYS A 20 15.354 -1.417 0.486 1.00 70.22 C ATOM 342 CE LYS A 20 16.456 -2.469 0.602 1.00 53.34 C ATOM 343 NZ LYS A 20 17.154 -2.689 -0.696 1.00 64.10 N ATOM 0 H LYS A 20 12.886 -0.435 0.435 1.00 31.32 H new ATOM 0 HA LYS A 20 14.319 1.687 1.449 1.00 61.10 H new ATOM 0 HB2 LYS A 20 14.315 0.334 -1.255 1.00 60.41 H new ATOM 0 HB3 LYS A 20 15.360 1.712 -0.971 1.00 60.41 H new ATOM 0 HG2 LYS A 20 16.730 -0.166 -0.582 1.00 41.21 H new ATOM 0 HG3 LYS A 20 16.326 0.419 1.020 1.00 41.21 H new ATOM 0 HD2 LYS A 20 14.814 -1.352 1.430 1.00 70.22 H new ATOM 0 HD3 LYS A 20 14.635 -1.727 -0.272 1.00 70.22 H new ATOM 0 HE2 LYS A 20 17.179 -2.155 1.354 1.00 53.34 H new ATOM 0 HE3 LYS A 20 16.025 -3.409 0.946 1.00 53.34 H new ATOM 0 HZ1 LYS A 20 17.494 -3.671 -0.745 1.00 64.10 H new ATOM 0 HZ2 LYS A 20 16.494 -2.511 -1.480 1.00 64.10 H new ATOM 0 HZ3 LYS A 20 17.962 -2.039 -0.770 1.00 64.10 H new ATOM 357 N MET A 21 12.469 2.578 -1.187 1.00 73.44 N ATOM 358 CA MET A 21 11.824 3.706 -1.866 1.00 34.44 C ATOM 359 C MET A 21 10.932 4.509 -0.914 1.00 1.11 C ATOM 360 O MET A 21 10.935 5.736 -0.941 1.00 52.33 O ATOM 361 CB MET A 21 10.993 3.203 -3.052 1.00 64.43 C ATOM 362 CG MET A 21 11.832 2.746 -4.235 1.00 61.23 C ATOM 363 SD MET A 21 12.803 4.089 -4.947 1.00 23.43 S ATOM 364 CE MET A 21 11.513 5.279 -5.325 1.00 43.55 C ATOM 0 H MET A 21 12.287 1.671 -1.617 1.00 73.44 H new ATOM 0 HA MET A 21 12.613 4.367 -2.225 1.00 34.44 H new ATOM 0 HB2 MET A 21 10.367 2.375 -2.720 1.00 64.43 H new ATOM 0 HB3 MET A 21 10.323 3.998 -3.378 1.00 64.43 H new ATOM 0 HG2 MET A 21 12.501 1.947 -3.916 1.00 61.23 H new ATOM 0 HG3 MET A 21 11.179 2.328 -5.001 1.00 61.23 H new ATOM 0 HE1 MET A 21 11.800 5.861 -6.201 1.00 43.55 H new ATOM 0 HE2 MET A 21 10.581 4.752 -5.529 1.00 43.55 H new ATOM 0 HE3 MET A 21 11.374 5.947 -4.475 1.00 43.55 H new ATOM 374 N ALA A 22 10.175 3.812 -0.072 1.00 54.32 N ATOM 375 CA ALA A 22 9.313 4.474 0.907 1.00 41.32 C ATOM 376 C ALA A 22 10.115 5.430 1.808 1.00 34.31 C ATOM 377 O ALA A 22 9.735 6.583 1.996 1.00 53.05 O ATOM 378 CB ALA A 22 8.577 3.440 1.749 1.00 55.33 C ATOM 0 H ALA A 22 10.139 2.793 -0.046 1.00 54.32 H new ATOM 0 HA ALA A 22 8.582 5.069 0.360 1.00 41.32 H new ATOM 0 HB1 ALA A 22 7.939 3.947 2.473 1.00 55.33 H new ATOM 0 HB2 ALA A 22 7.963 2.814 1.102 1.00 55.33 H new ATOM 0 HB3 ALA A 22 9.301 2.818 2.276 1.00 55.33 H new ATOM 384 N GLU A 23 11.239 4.947 2.343 1.00 62.52 N ATOM 385 CA GLU A 23 12.117 5.775 3.185 1.00 32.23 C ATOM 386 C GLU A 23 12.585 7.027 2.425 1.00 31.24 C ATOM 387 O GLU A 23 12.513 8.152 2.928 1.00 34.32 O ATOM 388 CB GLU A 23 13.355 4.974 3.623 1.00 54.43 C ATOM 389 CG GLU A 23 13.049 3.632 4.276 1.00 32.22 C ATOM 390 CD GLU A 23 14.312 2.850 4.612 1.00 24.11 C ATOM 391 OE1 GLU A 23 15.193 2.720 3.729 1.00 55.31 O ATOM 392 OE2 GLU A 23 14.441 2.375 5.764 1.00 4.13 O ATOM 0 H GLU A 23 11.565 3.990 2.211 1.00 62.52 H new ATOM 0 HA GLU A 23 11.543 6.077 4.061 1.00 32.23 H new ATOM 0 HB2 GLU A 23 13.987 4.802 2.751 1.00 54.43 H new ATOM 0 HB3 GLU A 23 13.933 5.579 4.322 1.00 54.43 H new ATOM 0 HG2 GLU A 23 12.474 3.797 5.187 1.00 32.22 H new ATOM 0 HG3 GLU A 23 12.425 3.039 3.607 1.00 32.22 H new ATOM 399 N LYS A 24 13.051 6.810 1.198 1.00 53.23 N ATOM 400 CA LYS A 24 13.623 7.877 0.366 1.00 70.24 C ATOM 401 C LYS A 24 12.538 8.807 -0.214 1.00 65.21 C ATOM 402 O LYS A 24 12.822 9.942 -0.594 1.00 14.45 O ATOM 403 CB LYS A 24 14.462 7.255 -0.766 1.00 23.10 C ATOM 404 CG LYS A 24 15.832 6.725 -0.319 1.00 31.12 C ATOM 405 CD LYS A 24 15.732 5.757 0.863 1.00 23.15 C ATOM 406 CE LYS A 24 17.099 5.271 1.334 1.00 2.43 C ATOM 407 NZ LYS A 24 17.000 4.476 2.591 1.00 40.32 N ATOM 0 H LYS A 24 13.045 5.894 0.749 1.00 53.23 H new ATOM 0 HA LYS A 24 14.262 8.491 1.001 1.00 70.24 H new ATOM 0 HB2 LYS A 24 13.897 6.437 -1.213 1.00 23.10 H new ATOM 0 HB3 LYS A 24 14.611 8.003 -1.545 1.00 23.10 H new ATOM 0 HG2 LYS A 24 16.313 6.221 -1.157 1.00 31.12 H new ATOM 0 HG3 LYS A 24 16.470 7.565 -0.043 1.00 31.12 H new ATOM 0 HD2 LYS A 24 15.220 6.249 1.690 1.00 23.15 H new ATOM 0 HD3 LYS A 24 15.124 4.899 0.576 1.00 23.15 H new ATOM 0 HE2 LYS A 24 17.557 4.663 0.554 1.00 2.43 H new ATOM 0 HE3 LYS A 24 17.753 6.127 1.496 1.00 2.43 H new ATOM 0 HZ1 LYS A 24 17.811 3.829 2.657 1.00 40.32 H new ATOM 0 HZ2 LYS A 24 17.002 5.118 3.409 1.00 40.32 H new ATOM 0 HZ3 LYS A 24 16.118 3.925 2.585 1.00 40.32 H new ATOM 421 N ALA A 25 11.301 8.321 -0.278 1.00 43.01 N ATOM 422 CA ALA A 25 10.171 9.122 -0.766 1.00 63.25 C ATOM 423 C ALA A 25 9.423 9.809 0.390 1.00 63.33 C ATOM 424 O ALA A 25 8.399 10.463 0.177 1.00 35.33 O ATOM 425 CB ALA A 25 9.215 8.244 -1.568 1.00 64.41 C ATOM 0 H ALA A 25 11.051 7.373 0.002 1.00 43.01 H new ATOM 0 HA ALA A 25 10.569 9.904 -1.413 1.00 63.25 H new ATOM 0 HB1 ALA A 25 8.380 8.847 -1.926 1.00 64.41 H new ATOM 0 HB2 ALA A 25 9.743 7.814 -2.419 1.00 64.41 H new ATOM 0 HB3 ALA A 25 8.838 7.443 -0.933 1.00 64.41 H new ATOM 431 N ASN A 26 9.950 9.646 1.609 1.00 21.43 N ATOM 432 CA ASN A 26 9.360 10.230 2.825 1.00 11.41 C ATOM 433 C ASN A 26 7.963 9.636 3.114 1.00 33.45 C ATOM 434 O ASN A 26 7.081 10.304 3.655 1.00 50.21 O ATOM 435 CB ASN A 26 9.301 11.767 2.709 1.00 21.44 C ATOM 436 CG ASN A 26 9.042 12.464 4.039 1.00 74.04 C ATOM 437 OD1 ASN A 26 8.405 13.513 4.092 1.00 33.33 O ATOM 438 ND2 ASN A 26 9.558 11.913 5.122 1.00 12.33 N ATOM 0 H ASN A 26 10.798 9.106 1.783 1.00 21.43 H new ATOM 0 HA ASN A 26 10.000 9.975 3.669 1.00 11.41 H new ATOM 0 HB2 ASN A 26 10.242 12.129 2.294 1.00 21.44 H new ATOM 0 HB3 ASN A 26 8.516 12.041 2.004 1.00 21.44 H new ATOM 0 HD21 ASN A 26 9.432 12.359 6.031 1.00 12.33 H new ATOM 0 HD22 ASN A 26 10.083 11.041 5.050 1.00 12.33 H new ATOM 445 N LEU A 27 7.787 8.362 2.771 1.00 33.13 N ATOM 446 CA LEU A 27 6.523 7.650 2.997 1.00 73.02 C ATOM 447 C LEU A 27 6.706 6.509 4.017 1.00 74.34 C ATOM 448 O LEU A 27 7.755 5.858 4.059 1.00 64.05 O ATOM 449 CB LEU A 27 6.000 7.073 1.669 1.00 61.02 C ATOM 450 CG LEU A 27 5.892 8.073 0.503 1.00 60.11 C ATOM 451 CD1 LEU A 27 5.348 7.389 -0.750 1.00 42.42 C ATOM 452 CD2 LEU A 27 5.021 9.267 0.888 1.00 31.33 C ATOM 0 H LEU A 27 8.510 7.793 2.331 1.00 33.13 H new ATOM 0 HA LEU A 27 5.801 8.361 3.397 1.00 73.02 H new ATOM 0 HB2 LEU A 27 6.656 6.258 1.365 1.00 61.02 H new ATOM 0 HB3 LEU A 27 5.015 6.640 1.845 1.00 61.02 H new ATOM 0 HG LEU A 27 6.894 8.442 0.282 1.00 60.11 H new ATOM 0 HD11 LEU A 27 5.280 8.115 -1.560 1.00 42.42 H new ATOM 0 HD12 LEU A 27 6.017 6.580 -1.042 1.00 42.42 H new ATOM 0 HD13 LEU A 27 4.358 6.984 -0.542 1.00 42.42 H new ATOM 0 HD21 LEU A 27 4.960 9.959 0.048 1.00 31.33 H new ATOM 0 HD22 LEU A 27 4.020 8.920 1.145 1.00 31.33 H new ATOM 0 HD23 LEU A 27 5.460 9.776 1.746 1.00 31.33 H new ATOM 464 N GLU A 28 5.690 6.273 4.843 1.00 13.34 N ATOM 465 CA GLU A 28 5.713 5.159 5.801 1.00 61.05 C ATOM 466 C GLU A 28 5.026 3.917 5.212 1.00 4.40 C ATOM 467 O GLU A 28 3.836 3.943 4.892 1.00 13.24 O ATOM 468 CB GLU A 28 5.033 5.561 7.123 1.00 63.14 C ATOM 469 CG GLU A 28 5.843 6.526 7.990 1.00 50.44 C ATOM 470 CD GLU A 28 6.153 7.848 7.303 1.00 12.42 C ATOM 471 OE1 GLU A 28 5.217 8.645 7.085 1.00 63.15 O ATOM 472 OE2 GLU A 28 7.337 8.102 6.991 1.00 2.21 O ATOM 0 H GLU A 28 4.839 6.835 4.872 1.00 13.34 H new ATOM 0 HA GLU A 28 6.756 4.916 6.005 1.00 61.05 H new ATOM 0 HB2 GLU A 28 4.070 6.019 6.896 1.00 63.14 H new ATOM 0 HB3 GLU A 28 4.829 4.659 7.700 1.00 63.14 H new ATOM 0 HG2 GLU A 28 5.293 6.724 8.910 1.00 50.44 H new ATOM 0 HG3 GLU A 28 6.779 6.046 8.276 1.00 50.44 H new ATOM 479 N LEU A 29 5.783 2.829 5.077 1.00 12.43 N ATOM 480 CA LEU A 29 5.280 1.599 4.450 1.00 70.32 C ATOM 481 C LEU A 29 5.098 0.473 5.480 1.00 71.24 C ATOM 482 O LEU A 29 5.991 0.202 6.284 1.00 74.51 O ATOM 483 CB LEU A 29 6.251 1.166 3.330 1.00 32.12 C ATOM 484 CG LEU A 29 5.816 -0.040 2.460 1.00 10.43 C ATOM 485 CD1 LEU A 29 6.513 -0.002 1.102 1.00 14.42 C ATOM 486 CD2 LEU A 29 6.118 -1.367 3.154 1.00 43.14 C ATOM 0 H LEU A 29 6.751 2.771 5.393 1.00 12.43 H new ATOM 0 HA LEU A 29 4.298 1.802 4.022 1.00 70.32 H new ATOM 0 HB2 LEU A 29 6.413 2.019 2.672 1.00 32.12 H new ATOM 0 HB3 LEU A 29 7.212 0.928 3.786 1.00 32.12 H new ATOM 0 HG LEU A 29 4.738 0.035 2.314 1.00 10.43 H new ATOM 0 HD11 LEU A 29 6.195 -0.857 0.506 1.00 14.42 H new ATOM 0 HD12 LEU A 29 6.250 0.920 0.584 1.00 14.42 H new ATOM 0 HD13 LEU A 29 7.593 -0.042 1.246 1.00 14.42 H new ATOM 0 HD21 LEU A 29 5.800 -2.192 2.516 1.00 43.14 H new ATOM 0 HD22 LEU A 29 7.189 -1.444 3.341 1.00 43.14 H new ATOM 0 HD23 LEU A 29 5.580 -1.413 4.101 1.00 43.14 H new ATOM 498 N ARG A 30 3.936 -0.179 5.451 1.00 20.41 N ATOM 499 CA ARG A 30 3.661 -1.341 6.305 1.00 3.43 C ATOM 500 C ARG A 30 3.468 -2.606 5.451 1.00 34.14 C ATOM 501 O ARG A 30 2.875 -2.555 4.370 1.00 74.31 O ATOM 502 CB ARG A 30 2.404 -1.099 7.157 1.00 30.15 C ATOM 503 CG ARG A 30 2.477 0.116 8.085 1.00 44.12 C ATOM 504 CD ARG A 30 3.472 -0.067 9.234 1.00 41.41 C ATOM 505 NE ARG A 30 4.866 0.097 8.813 1.00 70.44 N ATOM 506 CZ ARG A 30 5.806 0.578 9.579 1.00 14.01 C ATOM 507 NH1 ARG A 30 5.552 0.914 10.807 1.00 54.14 N ATOM 508 NH2 ARG A 30 7.010 0.717 9.122 1.00 1.53 N ATOM 0 H ARG A 30 3.161 0.079 4.840 1.00 20.41 H new ATOM 0 HA ARG A 30 4.517 -1.484 6.965 1.00 3.43 H new ATOM 0 HB2 ARG A 30 1.550 -0.978 6.491 1.00 30.15 H new ATOM 0 HB3 ARG A 30 2.215 -1.987 7.760 1.00 30.15 H new ATOM 0 HG2 ARG A 30 2.759 0.994 7.504 1.00 44.12 H new ATOM 0 HG3 ARG A 30 1.487 0.312 8.497 1.00 44.12 H new ATOM 0 HD2 ARG A 30 3.248 0.654 10.020 1.00 41.41 H new ATOM 0 HD3 ARG A 30 3.342 -1.060 9.665 1.00 41.41 H new ATOM 0 HE ARG A 30 5.116 -0.182 7.864 1.00 70.44 H new ATOM 0 HH11 ARG A 30 4.610 0.803 11.182 1.00 54.14 H new ATOM 0 HH12 ARG A 30 6.295 1.289 11.397 1.00 54.14 H new ATOM 0 HH21 ARG A 30 7.225 0.450 8.161 1.00 1.53 H new ATOM 0 HH22 ARG A 30 7.743 1.093 9.723 1.00 1.53 H new ATOM 522 N THR A 31 3.969 -3.741 5.934 1.00 20.14 N ATOM 523 CA THR A 31 3.852 -5.010 5.200 1.00 64.33 C ATOM 524 C THR A 31 2.555 -5.748 5.558 1.00 70.44 C ATOM 525 O THR A 31 2.376 -6.207 6.688 1.00 64.10 O ATOM 526 CB THR A 31 5.054 -5.950 5.481 1.00 54.43 C ATOM 527 OG1 THR A 31 5.093 -6.316 6.871 1.00 55.53 O ATOM 528 CG2 THR A 31 6.372 -5.284 5.092 1.00 63.15 C ATOM 0 H THR A 31 4.459 -3.813 6.826 1.00 20.14 H new ATOM 0 HA THR A 31 3.841 -4.751 4.141 1.00 64.33 H new ATOM 0 HB THR A 31 4.922 -6.847 4.876 1.00 54.43 H new ATOM 0 HG1 THR A 31 5.937 -6.775 7.065 1.00 55.53 H new ATOM 0 HG21 THR A 31 7.198 -5.964 5.299 1.00 63.15 H new ATOM 0 HG22 THR A 31 6.358 -5.043 4.029 1.00 63.15 H new ATOM 0 HG23 THR A 31 6.502 -4.369 5.670 1.00 63.15 H new ATOM 536 N VAL A 32 1.656 -5.869 4.583 1.00 73.32 N ATOM 537 CA VAL A 32 0.379 -6.555 4.792 1.00 33.24 C ATOM 538 C VAL A 32 0.538 -8.070 4.629 1.00 33.40 C ATOM 539 O VAL A 32 0.984 -8.557 3.592 1.00 60.12 O ATOM 540 CB VAL A 32 -0.709 -6.042 3.821 1.00 53.11 C ATOM 541 CG1 VAL A 32 -2.026 -6.792 4.034 1.00 31.03 C ATOM 542 CG2 VAL A 32 -0.907 -4.536 3.989 1.00 1.12 C ATOM 0 H VAL A 32 1.787 -5.502 3.640 1.00 73.32 H new ATOM 0 HA VAL A 32 0.063 -6.336 5.812 1.00 33.24 H new ATOM 0 HB VAL A 32 -0.376 -6.232 2.801 1.00 53.11 H new ATOM 0 HG11 VAL A 32 -2.776 -6.414 3.340 1.00 31.03 H new ATOM 0 HG12 VAL A 32 -1.871 -7.856 3.857 1.00 31.03 H new ATOM 0 HG13 VAL A 32 -2.370 -6.641 5.057 1.00 31.03 H new ATOM 0 HG21 VAL A 32 -1.676 -4.191 3.298 1.00 1.12 H new ATOM 0 HG22 VAL A 32 -1.215 -4.321 5.012 1.00 1.12 H new ATOM 0 HG23 VAL A 32 0.029 -4.020 3.777 1.00 1.12 H new ATOM 552 N LYS A 33 0.160 -8.805 5.664 1.00 33.34 N ATOM 553 CA LYS A 33 0.400 -10.249 5.725 1.00 62.33 C ATOM 554 C LYS A 33 -0.892 -11.057 5.511 1.00 40.43 C ATOM 555 O LYS A 33 -0.871 -12.154 4.944 1.00 21.20 O ATOM 556 CB LYS A 33 1.021 -10.574 7.091 1.00 31.54 C ATOM 557 CG LYS A 33 2.021 -9.512 7.547 1.00 41.24 C ATOM 558 CD LYS A 33 2.527 -9.754 8.963 1.00 4.54 C ATOM 559 CE LYS A 33 3.295 -8.548 9.499 1.00 72.44 C ATOM 560 NZ LYS A 33 4.363 -8.097 8.566 1.00 63.30 N ATOM 0 H LYS A 33 -0.318 -8.427 6.482 1.00 33.34 H new ATOM 0 HA LYS A 33 1.079 -10.531 4.921 1.00 62.33 H new ATOM 0 HB2 LYS A 33 0.229 -10.665 7.834 1.00 31.54 H new ATOM 0 HB3 LYS A 33 1.522 -11.541 7.038 1.00 31.54 H new ATOM 0 HG2 LYS A 33 2.867 -9.496 6.860 1.00 41.24 H new ATOM 0 HG3 LYS A 33 1.551 -8.530 7.496 1.00 41.24 H new ATOM 0 HD2 LYS A 33 1.684 -9.970 9.619 1.00 4.54 H new ATOM 0 HD3 LYS A 33 3.173 -10.632 8.974 1.00 4.54 H new ATOM 0 HE2 LYS A 33 2.600 -7.727 9.676 1.00 72.44 H new ATOM 0 HE3 LYS A 33 3.740 -8.802 10.461 1.00 72.44 H new ATOM 0 HZ1 LYS A 33 5.240 -7.928 9.098 1.00 63.30 H new ATOM 0 HZ2 LYS A 33 4.530 -8.831 7.848 1.00 63.30 H new ATOM 0 HZ3 LYS A 33 4.066 -7.217 8.098 1.00 63.30 H new ATOM 574 N THR A 34 -2.018 -10.507 5.968 1.00 35.33 N ATOM 575 CA THR A 34 -3.318 -11.194 5.882 1.00 35.24 C ATOM 576 C THR A 34 -4.454 -10.224 5.529 1.00 54.23 C ATOM 577 O THR A 34 -4.271 -9.002 5.530 1.00 21.15 O ATOM 578 CB THR A 34 -3.695 -11.878 7.222 1.00 44.40 C ATOM 579 OG1 THR A 34 -3.930 -10.882 8.229 1.00 33.12 O ATOM 580 CG2 THR A 34 -2.601 -12.829 7.700 1.00 24.33 C ATOM 0 H THR A 34 -2.061 -9.586 6.403 1.00 35.33 H new ATOM 0 HA THR A 34 -3.204 -11.940 5.096 1.00 35.24 H new ATOM 0 HB THR A 34 -4.601 -12.460 7.051 1.00 44.40 H new ATOM 0 HG1 THR A 34 -3.566 -11.190 9.085 1.00 33.12 H new ATOM 0 HG21 THR A 34 -2.903 -13.288 8.641 1.00 24.33 H new ATOM 0 HG22 THR A 34 -2.442 -13.606 6.952 1.00 24.33 H new ATOM 0 HG23 THR A 34 -1.675 -12.273 7.848 1.00 24.33 H new ATOM 588 N GLU A 35 -5.633 -10.783 5.242 1.00 51.41 N ATOM 589 CA GLU A 35 -6.855 -9.991 5.030 1.00 21.32 C ATOM 590 C GLU A 35 -7.178 -9.162 6.289 1.00 71.22 C ATOM 591 O GLU A 35 -7.758 -8.075 6.211 1.00 4.41 O ATOM 592 CB GLU A 35 -8.020 -10.942 4.690 1.00 45.11 C ATOM 593 CG GLU A 35 -9.359 -10.261 4.392 1.00 73.35 C ATOM 594 CD GLU A 35 -9.376 -9.462 3.099 1.00 35.25 C ATOM 595 OE1 GLU A 35 -8.601 -9.786 2.174 1.00 3.44 O ATOM 596 OE2 GLU A 35 -10.213 -8.539 2.983 1.00 45.14 O ATOM 0 H GLU A 35 -5.771 -11.789 5.150 1.00 51.41 H new ATOM 0 HA GLU A 35 -6.704 -9.300 4.201 1.00 21.32 H new ATOM 0 HB2 GLU A 35 -7.736 -11.542 3.825 1.00 45.11 H new ATOM 0 HB3 GLU A 35 -8.160 -11.631 5.523 1.00 45.11 H new ATOM 0 HG2 GLU A 35 -10.139 -11.021 4.347 1.00 73.35 H new ATOM 0 HG3 GLU A 35 -9.609 -9.597 5.220 1.00 73.35 H new ATOM 603 N ASP A 36 -6.783 -9.689 7.448 1.00 25.04 N ATOM 604 CA ASP A 36 -6.916 -8.978 8.723 1.00 4.24 C ATOM 605 C ASP A 36 -5.977 -7.762 8.781 1.00 50.13 C ATOM 606 O ASP A 36 -6.406 -6.652 9.098 1.00 5.40 O ATOM 607 CB ASP A 36 -6.611 -9.933 9.883 1.00 22.23 C ATOM 608 CG ASP A 36 -6.679 -9.249 11.240 1.00 61.25 C ATOM 609 OD1 ASP A 36 -7.802 -8.987 11.717 1.00 34.22 O ATOM 610 OD2 ASP A 36 -5.614 -8.969 11.833 1.00 64.01 O ATOM 0 H ASP A 36 -6.364 -10.615 7.531 1.00 25.04 H new ATOM 0 HA ASP A 36 -7.941 -8.617 8.809 1.00 4.24 H new ATOM 0 HB2 ASP A 36 -7.319 -10.761 9.862 1.00 22.23 H new ATOM 0 HB3 ASP A 36 -5.618 -10.360 9.745 1.00 22.23 H new ATOM 615 N GLU A 37 -4.695 -7.984 8.464 1.00 35.31 N ATOM 616 CA GLU A 37 -3.677 -6.921 8.514 1.00 41.14 C ATOM 617 C GLU A 37 -4.086 -5.693 7.679 1.00 4.13 C ATOM 618 O GLU A 37 -4.035 -4.565 8.165 1.00 34.33 O ATOM 619 CB GLU A 37 -2.318 -7.445 8.019 1.00 15.32 C ATOM 620 CG GLU A 37 -1.759 -8.624 8.815 1.00 33.22 C ATOM 621 CD GLU A 37 -1.524 -8.306 10.283 1.00 3.13 C ATOM 622 OE1 GLU A 37 -0.749 -7.377 10.581 1.00 33.22 O ATOM 623 OE2 GLU A 37 -2.105 -8.996 11.148 1.00 10.52 O ATOM 0 H GLU A 37 -4.335 -8.892 8.169 1.00 35.31 H new ATOM 0 HA GLU A 37 -3.592 -6.613 9.556 1.00 41.14 H new ATOM 0 HB2 GLU A 37 -2.417 -7.743 6.975 1.00 15.32 H new ATOM 0 HB3 GLU A 37 -1.596 -6.629 8.050 1.00 15.32 H new ATOM 0 HG2 GLU A 37 -2.450 -9.464 8.739 1.00 33.22 H new ATOM 0 HG3 GLU A 37 -0.819 -8.943 8.365 1.00 33.22 H new ATOM 630 N LEU A 38 -4.486 -5.923 6.423 1.00 24.24 N ATOM 631 CA LEU A 38 -4.902 -4.833 5.519 1.00 20.02 C ATOM 632 C LEU A 38 -5.982 -3.955 6.183 1.00 51.35 C ATOM 633 O LEU A 38 -5.829 -2.737 6.289 1.00 52.13 O ATOM 634 CB LEU A 38 -5.414 -5.436 4.186 1.00 51.23 C ATOM 635 CG LEU A 38 -5.486 -4.487 2.962 1.00 74.12 C ATOM 636 CD1 LEU A 38 -6.571 -3.429 3.124 1.00 1.44 C ATOM 637 CD2 LEU A 38 -4.135 -3.829 2.705 1.00 32.51 C ATOM 0 H LEU A 38 -4.532 -6.852 6.005 1.00 24.24 H new ATOM 0 HA LEU A 38 -4.044 -4.194 5.309 1.00 20.02 H new ATOM 0 HB2 LEU A 38 -4.770 -6.276 3.925 1.00 51.23 H new ATOM 0 HB3 LEU A 38 -6.411 -5.841 4.359 1.00 51.23 H new ATOM 0 HG LEU A 38 -5.748 -5.097 2.098 1.00 74.12 H new ATOM 0 HD11 LEU A 38 -6.586 -2.786 2.244 1.00 1.44 H new ATOM 0 HD12 LEU A 38 -7.540 -3.916 3.235 1.00 1.44 H new ATOM 0 HD13 LEU A 38 -6.364 -2.828 4.009 1.00 1.44 H new ATOM 0 HD21 LEU A 38 -4.211 -3.168 1.842 1.00 32.51 H new ATOM 0 HD22 LEU A 38 -3.840 -3.250 3.580 1.00 32.51 H new ATOM 0 HD23 LEU A 38 -3.387 -4.598 2.509 1.00 32.51 H new ATOM 649 N LYS A 39 -7.058 -4.589 6.648 1.00 11.04 N ATOM 650 CA LYS A 39 -8.143 -3.888 7.351 1.00 0.31 C ATOM 651 C LYS A 39 -7.619 -3.150 8.593 1.00 44.34 C ATOM 652 O LYS A 39 -7.879 -1.964 8.793 1.00 44.45 O ATOM 653 CB LYS A 39 -9.216 -4.902 7.778 1.00 12.04 C ATOM 654 CG LYS A 39 -10.391 -4.294 8.545 1.00 24.42 C ATOM 655 CD LYS A 39 -11.363 -5.367 9.037 1.00 74.41 C ATOM 656 CE LYS A 39 -10.735 -6.276 10.092 1.00 31.14 C ATOM 657 NZ LYS A 39 -10.414 -5.543 11.346 1.00 64.13 N ATOM 0 H LYS A 39 -7.206 -5.594 6.552 1.00 11.04 H new ATOM 0 HA LYS A 39 -8.570 -3.152 6.669 1.00 0.31 H new ATOM 0 HB2 LYS A 39 -9.599 -5.403 6.889 1.00 12.04 H new ATOM 0 HB3 LYS A 39 -8.749 -5.667 8.399 1.00 12.04 H new ATOM 0 HG2 LYS A 39 -10.015 -3.726 9.396 1.00 24.42 H new ATOM 0 HG3 LYS A 39 -10.920 -3.591 7.902 1.00 24.42 H new ATOM 0 HD2 LYS A 39 -12.249 -4.888 9.454 1.00 74.41 H new ATOM 0 HD3 LYS A 39 -11.694 -5.970 8.191 1.00 74.41 H new ATOM 0 HE2 LYS A 39 -11.418 -7.095 10.317 1.00 31.14 H new ATOM 0 HE3 LYS A 39 -9.825 -6.721 9.690 1.00 31.14 H new ATOM 0 HZ1 LYS A 39 -9.483 -5.847 11.697 1.00 64.13 H new ATOM 0 HZ2 LYS A 39 -10.396 -4.521 11.156 1.00 64.13 H new ATOM 0 HZ3 LYS A 39 -11.138 -5.749 12.063 1.00 64.13 H new ATOM 671 N LYS A 40 -6.865 -3.878 9.407 1.00 21.31 N ATOM 672 CA LYS A 40 -6.348 -3.379 10.683 1.00 31.02 C ATOM 673 C LYS A 40 -5.457 -2.137 10.505 1.00 31.23 C ATOM 674 O LYS A 40 -5.517 -1.199 11.302 1.00 41.41 O ATOM 675 CB LYS A 40 -5.583 -4.517 11.367 1.00 13.13 C ATOM 676 CG LYS A 40 -4.999 -4.185 12.735 1.00 21.33 C ATOM 677 CD LYS A 40 -4.580 -5.459 13.465 1.00 3.20 C ATOM 678 CE LYS A 40 -3.612 -6.307 12.638 1.00 12.15 C ATOM 679 NZ LYS A 40 -3.497 -7.694 13.162 1.00 63.05 N ATOM 0 H LYS A 40 -6.591 -4.839 9.202 1.00 21.31 H new ATOM 0 HA LYS A 40 -7.184 -3.061 11.306 1.00 31.02 H new ATOM 0 HB2 LYS A 40 -6.254 -5.369 11.475 1.00 13.13 H new ATOM 0 HB3 LYS A 40 -4.771 -4.831 10.711 1.00 13.13 H new ATOM 0 HG2 LYS A 40 -4.138 -3.526 12.619 1.00 21.33 H new ATOM 0 HG3 LYS A 40 -5.736 -3.645 13.329 1.00 21.33 H new ATOM 0 HD2 LYS A 40 -4.111 -5.195 14.413 1.00 3.20 H new ATOM 0 HD3 LYS A 40 -5.466 -6.048 13.701 1.00 3.20 H new ATOM 0 HE2 LYS A 40 -3.951 -6.338 11.603 1.00 12.15 H new ATOM 0 HE3 LYS A 40 -2.628 -5.837 12.637 1.00 12.15 H new ATOM 0 HZ1 LYS A 40 -2.746 -8.198 12.648 1.00 63.05 H new ATOM 0 HZ2 LYS A 40 -3.264 -7.664 14.175 1.00 63.05 H new ATOM 0 HZ3 LYS A 40 -4.401 -8.191 13.029 1.00 63.05 H new ATOM 693 N TYR A 41 -4.636 -2.130 9.454 1.00 23.52 N ATOM 694 CA TYR A 41 -3.799 -0.968 9.140 1.00 23.13 C ATOM 695 C TYR A 41 -4.662 0.227 8.707 1.00 23.10 C ATOM 696 O TYR A 41 -4.416 1.366 9.106 1.00 50.34 O ATOM 697 CB TYR A 41 -2.782 -1.308 8.040 1.00 42.12 C ATOM 698 CG TYR A 41 -1.787 -2.396 8.413 1.00 12.11 C ATOM 699 CD1 TYR A 41 -1.484 -2.674 9.744 1.00 11.31 C ATOM 700 CD2 TYR A 41 -1.146 -3.141 7.429 1.00 5.24 C ATOM 701 CE1 TYR A 41 -0.574 -3.658 10.078 1.00 63.13 C ATOM 702 CE2 TYR A 41 -0.236 -4.127 7.758 1.00 24.44 C ATOM 703 CZ TYR A 41 0.044 -4.381 9.083 1.00 51.03 C ATOM 704 OH TYR A 41 0.951 -5.364 9.413 1.00 32.44 O ATOM 0 H TYR A 41 -4.532 -2.912 8.807 1.00 23.52 H new ATOM 0 HA TYR A 41 -3.256 -0.695 10.045 1.00 23.13 H new ATOM 0 HB2 TYR A 41 -3.323 -1.619 7.147 1.00 42.12 H new ATOM 0 HB3 TYR A 41 -2.231 -0.404 7.780 1.00 42.12 H new ATOM 0 HD1 TYR A 41 -1.969 -2.111 10.528 1.00 11.31 H new ATOM 0 HD2 TYR A 41 -1.363 -2.945 6.389 1.00 5.24 H new ATOM 0 HE1 TYR A 41 -0.348 -3.859 11.115 1.00 63.13 H new ATOM 0 HE2 TYR A 41 0.253 -4.696 6.981 1.00 24.44 H new ATOM 0 HH TYR A 41 0.483 -6.110 9.843 1.00 32.44 H new ATOM 714 N LEU A 42 -5.677 -0.041 7.887 1.00 22.22 N ATOM 715 CA LEU A 42 -6.613 1.001 7.451 1.00 32.32 C ATOM 716 C LEU A 42 -7.370 1.614 8.642 1.00 51.51 C ATOM 717 O LEU A 42 -7.656 2.814 8.656 1.00 53.20 O ATOM 718 CB LEU A 42 -7.607 0.435 6.429 1.00 23.03 C ATOM 719 CG LEU A 42 -7.009 0.025 5.072 1.00 2.42 C ATOM 720 CD1 LEU A 42 -8.101 -0.498 4.142 1.00 3.03 C ATOM 721 CD2 LEU A 42 -6.266 1.194 4.426 1.00 40.53 C ATOM 0 H LEU A 42 -5.874 -0.968 7.510 1.00 22.22 H new ATOM 0 HA LEU A 42 -6.030 1.792 6.980 1.00 32.32 H new ATOM 0 HB2 LEU A 42 -8.095 -0.435 6.868 1.00 23.03 H new ATOM 0 HB3 LEU A 42 -8.383 1.180 6.253 1.00 23.03 H new ATOM 0 HG LEU A 42 -6.291 -0.776 5.246 1.00 2.42 H new ATOM 0 HD11 LEU A 42 -7.660 -0.783 3.187 1.00 3.03 H new ATOM 0 HD12 LEU A 42 -8.579 -1.367 4.595 1.00 3.03 H new ATOM 0 HD13 LEU A 42 -8.845 0.282 3.979 1.00 3.03 H new ATOM 0 HD21 LEU A 42 -5.853 0.878 3.468 1.00 40.53 H new ATOM 0 HD22 LEU A 42 -6.957 2.022 4.268 1.00 40.53 H new ATOM 0 HD23 LEU A 42 -5.457 1.517 5.081 1.00 40.53 H new ATOM 733 N GLU A 43 -7.697 0.786 9.636 1.00 13.11 N ATOM 734 CA GLU A 43 -8.342 1.267 10.865 1.00 21.34 C ATOM 735 C GLU A 43 -7.436 2.259 11.614 1.00 0.40 C ATOM 736 O GLU A 43 -7.910 3.268 12.142 1.00 13.50 O ATOM 737 CB GLU A 43 -8.721 0.086 11.769 1.00 22.32 C ATOM 738 CG GLU A 43 -9.766 -0.838 11.151 1.00 63.13 C ATOM 739 CD GLU A 43 -10.172 -1.974 12.075 1.00 73.42 C ATOM 740 OE1 GLU A 43 -11.017 -1.746 12.965 1.00 74.41 O ATOM 741 OE2 GLU A 43 -9.651 -3.098 11.918 1.00 55.14 O ATOM 0 H GLU A 43 -7.527 -0.220 9.617 1.00 13.11 H new ATOM 0 HA GLU A 43 -9.254 1.795 10.586 1.00 21.34 H new ATOM 0 HB2 GLU A 43 -7.825 -0.491 11.995 1.00 22.32 H new ATOM 0 HB3 GLU A 43 -9.100 0.470 12.716 1.00 22.32 H new ATOM 0 HG2 GLU A 43 -10.650 -0.256 10.890 1.00 63.13 H new ATOM 0 HG3 GLU A 43 -9.373 -1.254 10.223 1.00 63.13 H new ATOM 748 N GLU A 44 -6.132 1.977 11.643 1.00 0.14 N ATOM 749 CA GLU A 44 -5.138 2.929 12.166 1.00 61.45 C ATOM 750 C GLU A 44 -5.205 4.255 11.384 1.00 15.01 C ATOM 751 O GLU A 44 -5.210 5.341 11.964 1.00 35.11 O ATOM 752 CB GLU A 44 -3.721 2.331 12.050 1.00 42.52 C ATOM 753 CG GLU A 44 -2.587 3.276 12.467 1.00 73.23 C ATOM 754 CD GLU A 44 -2.385 3.365 13.976 1.00 23.44 C ATOM 755 OE1 GLU A 44 -3.235 3.953 14.671 1.00 1.14 O ATOM 756 OE2 GLU A 44 -1.361 2.851 14.477 1.00 63.31 O ATOM 0 H GLU A 44 -5.735 1.098 11.311 1.00 0.14 H new ATOM 0 HA GLU A 44 -5.362 3.123 13.215 1.00 61.45 H new ATOM 0 HB2 GLU A 44 -3.670 1.432 12.664 1.00 42.52 H new ATOM 0 HB3 GLU A 44 -3.556 2.022 11.018 1.00 42.52 H new ATOM 0 HG2 GLU A 44 -1.659 2.941 12.004 1.00 73.23 H new ATOM 0 HG3 GLU A 44 -2.795 4.273 12.078 1.00 73.23 H new ATOM 763 N PHE A 45 -5.284 4.147 10.056 1.00 14.21 N ATOM 764 CA PHE A 45 -5.329 5.323 9.175 1.00 64.21 C ATOM 765 C PHE A 45 -6.637 6.121 9.330 1.00 33.42 C ATOM 766 O PHE A 45 -6.680 7.313 9.022 1.00 60.44 O ATOM 767 CB PHE A 45 -5.143 4.899 7.709 1.00 63.11 C ATOM 768 CG PHE A 45 -3.832 4.199 7.438 1.00 32.12 C ATOM 769 CD1 PHE A 45 -2.651 4.651 8.015 1.00 64.43 C ATOM 770 CD2 PHE A 45 -3.780 3.084 6.614 1.00 73.44 C ATOM 771 CE1 PHE A 45 -1.454 4.006 7.773 1.00 54.10 C ATOM 772 CE2 PHE A 45 -2.584 2.437 6.372 1.00 42.20 C ATOM 773 CZ PHE A 45 -1.420 2.897 6.952 1.00 4.32 C ATOM 0 H PHE A 45 -5.318 3.255 9.563 1.00 14.21 H new ATOM 0 HA PHE A 45 -4.510 5.978 9.473 1.00 64.21 H new ATOM 0 HB2 PHE A 45 -5.962 4.239 7.425 1.00 63.11 H new ATOM 0 HB3 PHE A 45 -5.211 5.782 7.074 1.00 63.11 H new ATOM 0 HD1 PHE A 45 -2.670 5.517 8.660 1.00 64.43 H new ATOM 0 HD2 PHE A 45 -4.687 2.717 6.156 1.00 73.44 H new ATOM 0 HE1 PHE A 45 -0.544 4.370 8.227 1.00 54.10 H new ATOM 0 HE2 PHE A 45 -2.560 1.570 5.728 1.00 42.20 H new ATOM 0 HZ PHE A 45 -0.485 2.391 6.764 1.00 4.32 H new ATOM 783 N ARG A 46 -7.704 5.469 9.806 1.00 54.40 N ATOM 784 CA ARG A 46 -8.980 6.161 10.059 1.00 70.52 C ATOM 785 C ARG A 46 -8.793 7.323 11.046 1.00 12.13 C ATOM 786 O ARG A 46 -9.479 8.346 10.959 1.00 13.43 O ATOM 787 CB ARG A 46 -10.039 5.186 10.596 1.00 22.21 C ATOM 788 CG ARG A 46 -10.463 4.119 9.594 1.00 75.23 C ATOM 789 CD ARG A 46 -11.060 4.731 8.328 1.00 55.23 C ATOM 790 NE ARG A 46 -12.271 5.511 8.596 1.00 53.43 N ATOM 791 CZ ARG A 46 -12.977 6.103 7.668 1.00 64.04 C ATOM 792 NH1 ARG A 46 -12.588 6.073 6.434 1.00 52.41 N ATOM 793 NH2 ARG A 46 -14.065 6.735 7.976 1.00 34.24 N ATOM 0 H ARG A 46 -7.714 4.472 10.023 1.00 54.40 H new ATOM 0 HA ARG A 46 -9.326 6.564 9.107 1.00 70.52 H new ATOM 0 HB2 ARG A 46 -9.649 4.697 11.489 1.00 22.21 H new ATOM 0 HB3 ARG A 46 -10.918 5.753 10.902 1.00 22.21 H new ATOM 0 HG2 ARG A 46 -9.601 3.507 9.329 1.00 75.23 H new ATOM 0 HG3 ARG A 46 -11.195 3.457 10.057 1.00 75.23 H new ATOM 0 HD2 ARG A 46 -10.317 5.372 7.854 1.00 55.23 H new ATOM 0 HD3 ARG A 46 -11.294 3.936 7.620 1.00 55.23 H new ATOM 0 HE ARG A 46 -12.582 5.597 9.564 1.00 53.43 H new ATOM 0 HH11 ARG A 46 -11.728 5.586 6.182 1.00 52.41 H new ATOM 0 HH12 ARG A 46 -13.142 6.536 5.713 1.00 52.41 H new ATOM 0 HH21 ARG A 46 -14.375 6.773 8.947 1.00 34.24 H new ATOM 0 HH22 ARG A 46 -14.611 7.195 7.248 1.00 34.24 H new ATOM 807 N LYS A 47 -7.856 7.155 11.975 1.00 63.24 N ATOM 808 CA LYS A 47 -7.487 8.215 12.917 1.00 54.21 C ATOM 809 C LYS A 47 -7.025 9.478 12.176 1.00 51.44 C ATOM 810 O LYS A 47 -7.370 10.599 12.554 1.00 51.30 O ATOM 811 CB LYS A 47 -6.376 7.707 13.843 1.00 41.43 C ATOM 812 CG LYS A 47 -6.825 6.584 14.776 1.00 44.14 C ATOM 813 CD LYS A 47 -5.643 5.825 15.370 1.00 63.40 C ATOM 814 CE LYS A 47 -4.621 6.752 16.020 1.00 42.22 C ATOM 815 NZ LYS A 47 -3.500 5.992 16.631 1.00 44.02 N ATOM 0 H LYS A 47 -7.333 6.288 12.098 1.00 63.24 H new ATOM 0 HA LYS A 47 -8.364 8.478 13.508 1.00 54.21 H new ATOM 0 HB2 LYS A 47 -5.542 7.353 13.237 1.00 41.43 H new ATOM 0 HB3 LYS A 47 -6.004 8.539 14.441 1.00 41.43 H new ATOM 0 HG2 LYS A 47 -7.429 7.002 15.582 1.00 44.14 H new ATOM 0 HG3 LYS A 47 -7.462 5.890 14.227 1.00 44.14 H new ATOM 0 HD2 LYS A 47 -6.007 5.114 16.112 1.00 63.40 H new ATOM 0 HD3 LYS A 47 -5.156 5.246 14.586 1.00 63.40 H new ATOM 0 HE2 LYS A 47 -4.228 7.442 15.273 1.00 42.22 H new ATOM 0 HE3 LYS A 47 -5.111 7.355 16.784 1.00 42.22 H new ATOM 0 HZ1 LYS A 47 -2.671 6.612 16.725 1.00 44.02 H new ATOM 0 HZ2 LYS A 47 -3.784 5.649 17.571 1.00 44.02 H new ATOM 0 HZ3 LYS A 47 -3.259 5.182 16.025 1.00 44.02 H new ATOM 829 N GLU A 48 -6.261 9.283 11.103 1.00 2.35 N ATOM 830 CA GLU A 48 -5.747 10.393 10.297 1.00 35.45 C ATOM 831 C GLU A 48 -6.537 10.569 8.991 1.00 15.41 C ATOM 832 O GLU A 48 -6.040 11.158 8.030 1.00 32.31 O ATOM 833 CB GLU A 48 -4.260 10.164 9.986 1.00 63.22 C ATOM 834 CG GLU A 48 -3.378 10.069 11.227 1.00 1.00 C ATOM 835 CD GLU A 48 -3.574 11.241 12.178 1.00 62.23 C ATOM 836 OE1 GLU A 48 -3.414 12.402 11.743 1.00 32.53 O ATOM 837 OE2 GLU A 48 -3.905 11.008 13.362 1.00 71.42 O ATOM 0 H GLU A 48 -5.982 8.361 10.768 1.00 2.35 H new ATOM 0 HA GLU A 48 -5.866 11.308 10.877 1.00 35.45 H new ATOM 0 HB2 GLU A 48 -4.157 9.246 9.407 1.00 63.22 H new ATOM 0 HB3 GLU A 48 -3.900 10.979 9.358 1.00 63.22 H new ATOM 0 HG2 GLU A 48 -3.596 9.139 11.753 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -2.332 10.025 10.922 1.00 1.00 H new ATOM 844 N SER A 49 -7.791 10.109 8.977 1.00 71.04 N ATOM 845 CA SER A 49 -8.645 10.184 7.774 1.00 24.41 C ATOM 846 C SER A 49 -9.135 11.621 7.491 1.00 52.14 C ATOM 847 O SER A 49 -10.246 11.828 6.999 1.00 23.32 O ATOM 848 CB SER A 49 -9.851 9.238 7.920 1.00 62.42 C ATOM 849 OG SER A 49 -10.625 9.184 6.730 1.00 22.22 O ATOM 0 H SER A 49 -8.244 9.679 9.783 1.00 71.04 H new ATOM 0 HA SER A 49 -8.035 9.874 6.926 1.00 24.41 H new ATOM 0 HB2 SER A 49 -9.500 8.237 8.171 1.00 62.42 H new ATOM 0 HB3 SER A 49 -10.478 9.573 8.747 1.00 62.42 H new ATOM 0 HG SER A 49 -10.652 10.072 6.317 1.00 22.22 H new ATOM 855 N GLN A 50 -8.299 12.611 7.799 1.00 62.42 N ATOM 856 CA GLN A 50 -8.581 14.011 7.472 1.00 53.20 C ATOM 857 C GLN A 50 -7.810 14.431 6.216 1.00 42.13 C ATOM 858 O GLN A 50 -8.392 14.910 5.247 1.00 21.24 O ATOM 859 CB GLN A 50 -8.202 14.919 8.654 1.00 73.04 C ATOM 860 CG GLN A 50 -9.020 14.656 9.915 1.00 60.04 C ATOM 861 CD GLN A 50 -10.496 14.967 9.731 1.00 11.45 C ATOM 862 OE1 GLN A 50 -10.948 16.079 9.982 1.00 0.32 O ATOM 863 NE2 GLN A 50 -11.258 13.988 9.284 1.00 52.41 N ATOM 0 H GLN A 50 -7.411 12.468 8.280 1.00 62.42 H new ATOM 0 HA GLN A 50 -9.648 14.114 7.277 1.00 53.20 H new ATOM 0 HB2 GLN A 50 -7.145 14.782 8.882 1.00 73.04 H new ATOM 0 HB3 GLN A 50 -8.332 15.960 8.358 1.00 73.04 H new ATOM 0 HG2 GLN A 50 -8.906 13.612 10.206 1.00 60.04 H new ATOM 0 HG3 GLN A 50 -8.625 15.259 10.732 1.00 60.04 H new ATOM 0 HE21 GLN A 50 -10.850 13.075 9.085 1.00 52.41 H new ATOM 0 HE22 GLN A 50 -12.255 14.144 9.137 1.00 52.41 H new ATOM 872 N ASN A 51 -6.491 14.234 6.236 1.00 32.40 N ATOM 873 CA ASN A 51 -5.634 14.583 5.094 1.00 43.01 C ATOM 874 C ASN A 51 -4.672 13.431 4.757 1.00 44.44 C ATOM 875 O ASN A 51 -3.459 13.625 4.697 1.00 31.52 O ATOM 876 CB ASN A 51 -4.827 15.858 5.398 1.00 14.22 C ATOM 877 CG ASN A 51 -5.679 16.976 5.970 1.00 25.00 C ATOM 878 OD1 ASN A 51 -6.284 17.755 5.239 1.00 32.44 O ATOM 879 ND2 ASN A 51 -5.719 17.075 7.284 1.00 62.45 N ATOM 0 H ASN A 51 -5.989 13.835 7.029 1.00 32.40 H new ATOM 0 HA ASN A 51 -6.279 14.763 4.234 1.00 43.01 H new ATOM 0 HB2 ASN A 51 -4.031 15.618 6.103 1.00 14.22 H new ATOM 0 HB3 ASN A 51 -4.348 16.205 4.482 1.00 14.22 H new ATOM 0 HD21 ASN A 51 -6.265 17.816 7.723 1.00 62.45 H new ATOM 0 HD22 ASN A 51 -5.204 16.410 7.861 1.00 62.45 H new ATOM 886 N ILE A 52 -5.213 12.236 4.510 1.00 73.23 N ATOM 887 CA ILE A 52 -4.377 11.046 4.275 1.00 63.20 C ATOM 888 C ILE A 52 -4.677 10.360 2.926 1.00 63.31 C ATOM 889 O ILE A 52 -5.813 10.353 2.452 1.00 30.44 O ATOM 890 CB ILE A 52 -4.551 10.012 5.419 1.00 74.40 C ATOM 891 CG1 ILE A 52 -3.509 8.885 5.304 1.00 2.24 C ATOM 892 CG2 ILE A 52 -5.968 9.433 5.417 1.00 54.43 C ATOM 893 CD1 ILE A 52 -3.564 7.885 6.442 1.00 11.42 C ATOM 0 H ILE A 52 -6.217 12.062 4.467 1.00 73.23 H new ATOM 0 HA ILE A 52 -3.347 11.403 4.249 1.00 63.20 H new ATOM 0 HB ILE A 52 -4.392 10.529 6.365 1.00 74.40 H new ATOM 0 HG12 ILE A 52 -3.659 8.358 4.362 1.00 2.24 H new ATOM 0 HG13 ILE A 52 -2.513 9.326 5.267 1.00 2.24 H new ATOM 0 HG21 ILE A 52 -6.067 8.711 6.227 1.00 54.43 H new ATOM 0 HG22 ILE A 52 -6.690 10.237 5.558 1.00 54.43 H new ATOM 0 HG23 ILE A 52 -6.157 8.938 4.464 1.00 54.43 H new ATOM 0 HD11 ILE A 52 -2.801 7.121 6.292 1.00 11.42 H new ATOM 0 HD12 ILE A 52 -3.383 8.398 7.386 1.00 11.42 H new ATOM 0 HD13 ILE A 52 -4.547 7.416 6.467 1.00 11.42 H new ATOM 905 N LYS A 53 -3.631 9.803 2.309 1.00 23.14 N ATOM 906 CA LYS A 53 -3.768 8.969 1.104 1.00 1.22 C ATOM 907 C LYS A 53 -2.863 7.733 1.232 1.00 72.11 C ATOM 908 O LYS A 53 -1.695 7.850 1.614 1.00 23.53 O ATOM 909 CB LYS A 53 -3.389 9.756 -0.166 1.00 40.33 C ATOM 910 CG LYS A 53 -4.062 11.123 -0.287 1.00 42.11 C ATOM 911 CD LYS A 53 -3.674 11.851 -1.578 1.00 71.40 C ATOM 912 CE LYS A 53 -4.119 11.097 -2.827 1.00 31.01 C ATOM 913 NZ LYS A 53 -5.598 10.955 -2.907 1.00 14.22 N ATOM 0 H LYS A 53 -2.668 9.915 2.626 1.00 23.14 H new ATOM 0 HA LYS A 53 -4.810 8.662 1.016 1.00 1.22 H new ATOM 0 HB2 LYS A 53 -2.308 9.894 -0.184 1.00 40.33 H new ATOM 0 HB3 LYS A 53 -3.648 9.158 -1.040 1.00 40.33 H new ATOM 0 HG2 LYS A 53 -5.144 10.997 -0.255 1.00 42.11 H new ATOM 0 HG3 LYS A 53 -3.788 11.738 0.570 1.00 42.11 H new ATOM 0 HD2 LYS A 53 -4.120 12.846 -1.579 1.00 71.40 H new ATOM 0 HD3 LYS A 53 -2.593 11.986 -1.605 1.00 71.40 H new ATOM 0 HE2 LYS A 53 -3.759 11.621 -3.712 1.00 31.01 H new ATOM 0 HE3 LYS A 53 -3.661 10.108 -2.834 1.00 31.01 H new ATOM 0 HZ1 LYS A 53 -5.882 10.839 -3.901 1.00 14.22 H new ATOM 0 HZ2 LYS A 53 -5.897 10.121 -2.362 1.00 14.22 H new ATOM 0 HZ3 LYS A 53 -6.050 11.805 -2.514 1.00 14.22 H new ATOM 927 N VAL A 54 -3.392 6.550 0.923 1.00 22.15 N ATOM 928 CA VAL A 54 -2.617 5.306 1.064 1.00 12.33 C ATOM 929 C VAL A 54 -2.415 4.592 -0.285 1.00 3.11 C ATOM 930 O VAL A 54 -3.360 4.393 -1.046 1.00 51.34 O ATOM 931 CB VAL A 54 -3.295 4.327 2.058 1.00 23.44 C ATOM 932 CG1 VAL A 54 -2.451 3.065 2.249 1.00 73.14 C ATOM 933 CG2 VAL A 54 -3.561 5.009 3.399 1.00 43.33 C ATOM 0 H VAL A 54 -4.343 6.421 0.577 1.00 22.15 H new ATOM 0 HA VAL A 54 -1.642 5.599 1.452 1.00 12.33 H new ATOM 0 HB VAL A 54 -4.253 4.030 1.632 1.00 23.44 H new ATOM 0 HG11 VAL A 54 -2.950 2.396 2.951 1.00 73.14 H new ATOM 0 HG12 VAL A 54 -2.329 2.560 1.291 1.00 73.14 H new ATOM 0 HG13 VAL A 54 -1.472 3.338 2.642 1.00 73.14 H new ATOM 0 HG21 VAL A 54 -4.037 4.302 4.079 1.00 43.33 H new ATOM 0 HG22 VAL A 54 -2.618 5.347 3.829 1.00 43.33 H new ATOM 0 HG23 VAL A 54 -4.218 5.865 3.248 1.00 43.33 H new ATOM 943 N LEU A 55 -1.174 4.207 -0.568 1.00 31.33 N ATOM 944 CA LEU A 55 -0.843 3.438 -1.772 1.00 42.40 C ATOM 945 C LEU A 55 -0.720 1.939 -1.449 1.00 43.24 C ATOM 946 O LEU A 55 0.160 1.535 -0.694 1.00 22.33 O ATOM 947 CB LEU A 55 0.475 3.947 -2.377 1.00 42.43 C ATOM 948 CG LEU A 55 0.967 3.188 -3.621 1.00 72.42 C ATOM 949 CD1 LEU A 55 -0.003 3.349 -4.788 1.00 60.12 C ATOM 950 CD2 LEU A 55 2.369 3.646 -4.011 1.00 75.50 C ATOM 0 H LEU A 55 -0.371 4.416 0.025 1.00 31.33 H new ATOM 0 HA LEU A 55 -1.649 3.573 -2.494 1.00 42.40 H new ATOM 0 HB2 LEU A 55 0.353 4.998 -2.638 1.00 42.43 H new ATOM 0 HB3 LEU A 55 1.250 3.897 -1.612 1.00 42.43 H new ATOM 0 HG LEU A 55 1.010 2.128 -3.372 1.00 72.42 H new ATOM 0 HD11 LEU A 55 0.373 2.801 -5.652 1.00 60.12 H new ATOM 0 HD12 LEU A 55 -0.980 2.956 -4.506 1.00 60.12 H new ATOM 0 HD13 LEU A 55 -0.096 4.405 -5.041 1.00 60.12 H new ATOM 0 HD21 LEU A 55 2.699 3.097 -4.893 1.00 75.50 H new ATOM 0 HD22 LEU A 55 2.355 4.713 -4.232 1.00 75.50 H new ATOM 0 HD23 LEU A 55 3.056 3.455 -3.187 1.00 75.50 H new ATOM 962 N ILE A 56 -1.601 1.122 -2.019 1.00 70.22 N ATOM 963 CA ILE A 56 -1.582 -0.330 -1.787 1.00 64.40 C ATOM 964 C ILE A 56 -1.057 -1.089 -3.020 1.00 3.24 C ATOM 965 O ILE A 56 -1.582 -0.936 -4.121 1.00 14.21 O ATOM 966 CB ILE A 56 -2.995 -0.867 -1.431 1.00 73.13 C ATOM 967 CG1 ILE A 56 -3.572 -0.112 -0.217 1.00 62.24 C ATOM 968 CG2 ILE A 56 -2.947 -2.373 -1.158 1.00 21.24 C ATOM 969 CD1 ILE A 56 -4.967 -0.558 0.181 1.00 10.34 C ATOM 0 H ILE A 56 -2.341 1.436 -2.647 1.00 70.22 H new ATOM 0 HA ILE A 56 -0.911 -0.502 -0.946 1.00 64.40 H new ATOM 0 HB ILE A 56 -3.652 -0.696 -2.284 1.00 73.13 H new ATOM 0 HG12 ILE A 56 -2.903 -0.246 0.633 1.00 62.24 H new ATOM 0 HG13 ILE A 56 -3.593 0.954 -0.442 1.00 62.24 H new ATOM 0 HG21 ILE A 56 -3.947 -2.730 -0.910 1.00 21.24 H new ATOM 0 HG22 ILE A 56 -2.586 -2.892 -2.046 1.00 21.24 H new ATOM 0 HG23 ILE A 56 -2.274 -2.570 -0.323 1.00 21.24 H new ATOM 0 HD11 ILE A 56 -5.302 0.020 1.042 1.00 10.34 H new ATOM 0 HD12 ILE A 56 -5.652 -0.398 -0.652 1.00 10.34 H new ATOM 0 HD13 ILE A 56 -4.951 -1.617 0.439 1.00 10.34 H new ATOM 981 N LEU A 57 -0.020 -1.906 -2.823 1.00 4.25 N ATOM 982 CA LEU A 57 0.557 -2.728 -3.902 1.00 13.03 C ATOM 983 C LEU A 57 0.250 -4.217 -3.672 1.00 61.14 C ATOM 984 O LEU A 57 0.392 -4.715 -2.558 1.00 5.13 O ATOM 985 CB LEU A 57 2.085 -2.533 -3.988 1.00 13.31 C ATOM 986 CG LEU A 57 2.576 -1.140 -4.434 1.00 44.52 C ATOM 987 CD1 LEU A 57 1.923 -0.724 -5.748 1.00 62.55 C ATOM 988 CD2 LEU A 57 2.338 -0.093 -3.351 1.00 20.52 C ATOM 0 H LEU A 57 0.444 -2.020 -1.922 1.00 4.25 H new ATOM 0 HA LEU A 57 0.104 -2.405 -4.839 1.00 13.03 H new ATOM 0 HB2 LEU A 57 2.512 -2.748 -3.009 1.00 13.31 H new ATOM 0 HB3 LEU A 57 2.485 -3.274 -4.680 1.00 13.31 H new ATOM 0 HG LEU A 57 3.651 -1.207 -4.598 1.00 44.52 H new ATOM 0 HD11 LEU A 57 2.287 0.261 -6.039 1.00 62.55 H new ATOM 0 HD12 LEU A 57 2.174 -1.447 -6.524 1.00 62.55 H new ATOM 0 HD13 LEU A 57 0.841 -0.688 -5.621 1.00 62.55 H new ATOM 0 HD21 LEU A 57 2.695 0.877 -3.698 1.00 20.52 H new ATOM 0 HD22 LEU A 57 1.272 -0.030 -3.134 1.00 20.52 H new ATOM 0 HD23 LEU A 57 2.877 -0.376 -2.447 1.00 20.52 H new ATOM 1000 N VAL A 58 -0.167 -4.926 -4.722 1.00 63.42 N ATOM 1001 CA VAL A 58 -0.496 -6.359 -4.608 1.00 33.13 C ATOM 1002 C VAL A 58 0.154 -7.197 -5.723 1.00 73.14 C ATOM 1003 O VAL A 58 0.277 -6.743 -6.857 1.00 52.31 O ATOM 1004 CB VAL A 58 -2.026 -6.585 -4.656 1.00 2.14 C ATOM 1005 CG1 VAL A 58 -2.727 -5.850 -3.515 1.00 71.33 C ATOM 1006 CG2 VAL A 58 -2.592 -6.154 -6.005 1.00 72.11 C ATOM 0 H VAL A 58 -0.286 -4.540 -5.658 1.00 63.42 H new ATOM 0 HA VAL A 58 -0.099 -6.684 -3.646 1.00 33.13 H new ATOM 0 HB VAL A 58 -2.212 -7.652 -4.531 1.00 2.14 H new ATOM 0 HG11 VAL A 58 -3.801 -6.027 -3.574 1.00 71.33 H new ATOM 0 HG12 VAL A 58 -2.351 -6.217 -2.560 1.00 71.33 H new ATOM 0 HG13 VAL A 58 -2.530 -4.781 -3.596 1.00 71.33 H new ATOM 0 HG21 VAL A 58 -3.669 -6.321 -6.018 1.00 72.11 H new ATOM 0 HG22 VAL A 58 -2.387 -5.095 -6.164 1.00 72.11 H new ATOM 0 HG23 VAL A 58 -2.125 -6.737 -6.799 1.00 72.11 H new ATOM 1016 N SER A 59 0.562 -8.423 -5.395 1.00 62.04 N ATOM 1017 CA SER A 59 1.133 -9.346 -6.396 1.00 32.34 C ATOM 1018 C SER A 59 0.061 -9.911 -7.349 1.00 11.33 C ATOM 1019 O SER A 59 0.255 -9.949 -8.565 1.00 52.23 O ATOM 1020 CB SER A 59 1.856 -10.517 -5.708 1.00 72.35 C ATOM 1021 OG SER A 59 2.963 -10.075 -4.935 1.00 4.21 O ATOM 0 H SER A 59 0.511 -8.806 -4.451 1.00 62.04 H new ATOM 0 HA SER A 59 1.843 -8.764 -6.984 1.00 32.34 H new ATOM 0 HB2 SER A 59 1.155 -11.050 -5.066 1.00 72.35 H new ATOM 0 HB3 SER A 59 2.199 -11.225 -6.462 1.00 72.35 H new ATOM 0 HG SER A 59 3.335 -10.831 -4.434 1.00 4.21 H new ATOM 1027 N ASN A 60 -1.072 -10.351 -6.793 1.00 21.32 N ATOM 1028 CA ASN A 60 -2.116 -11.026 -7.588 1.00 4.44 C ATOM 1029 C ASN A 60 -3.359 -10.140 -7.779 1.00 74.00 C ATOM 1030 O ASN A 60 -3.597 -9.202 -7.015 1.00 65.11 O ATOM 1031 CB ASN A 60 -2.530 -12.338 -6.911 1.00 10.14 C ATOM 1032 CG ASN A 60 -1.350 -13.242 -6.602 1.00 45.41 C ATOM 1033 OD1 ASN A 60 -0.355 -13.256 -7.313 1.00 5.34 O ATOM 1034 ND2 ASN A 60 -1.451 -14.001 -5.530 1.00 63.52 N ATOM 0 H ASN A 60 -1.294 -10.255 -5.802 1.00 21.32 H new ATOM 0 HA ASN A 60 -1.691 -11.230 -8.571 1.00 4.44 H new ATOM 0 HB2 ASN A 60 -3.060 -12.112 -5.986 1.00 10.14 H new ATOM 0 HB3 ASN A 60 -3.229 -12.869 -7.557 1.00 10.14 H new ATOM 0 HD21 ASN A 60 -0.686 -14.624 -5.272 1.00 63.52 H new ATOM 0 HD22 ASN A 60 -2.295 -13.966 -4.958 1.00 63.52 H new ATOM 1041 N ASP A 61 -4.164 -10.460 -8.795 1.00 22.00 N ATOM 1042 CA ASP A 61 -5.389 -9.704 -9.091 1.00 75.04 C ATOM 1043 C ASP A 61 -6.462 -9.913 -8.008 1.00 21.45 C ATOM 1044 O ASP A 61 -7.311 -9.047 -7.780 1.00 64.41 O ATOM 1045 CB ASP A 61 -5.938 -10.107 -10.461 1.00 45.12 C ATOM 1046 CG ASP A 61 -6.349 -11.567 -10.511 1.00 62.45 C ATOM 1047 OD1 ASP A 61 -5.455 -12.437 -10.551 1.00 33.42 O ATOM 1048 OD2 ASP A 61 -7.565 -11.854 -10.501 1.00 12.42 O ATOM 0 H ASP A 61 -3.991 -11.239 -9.430 1.00 22.00 H new ATOM 0 HA ASP A 61 -5.131 -8.645 -9.102 1.00 75.04 H new ATOM 0 HB2 ASP A 61 -6.797 -9.482 -10.704 1.00 45.12 H new ATOM 0 HB3 ASP A 61 -5.181 -9.919 -11.223 1.00 45.12 H new ATOM 1053 N GLU A 62 -6.434 -11.073 -7.354 1.00 3.33 N ATOM 1054 CA GLU A 62 -7.361 -11.359 -6.255 1.00 2.31 C ATOM 1055 C GLU A 62 -7.085 -10.445 -5.050 1.00 44.20 C ATOM 1056 O GLU A 62 -8.004 -9.841 -4.493 1.00 12.14 O ATOM 1057 CB GLU A 62 -7.262 -12.835 -5.848 1.00 53.15 C ATOM 1058 CG GLU A 62 -8.201 -13.234 -4.712 1.00 11.12 C ATOM 1059 CD GLU A 62 -8.196 -14.731 -4.449 1.00 2.01 C ATOM 1060 OE1 GLU A 62 -7.195 -15.243 -3.905 1.00 1.32 O ATOM 1061 OE2 GLU A 62 -9.189 -15.409 -4.792 1.00 51.30 O ATOM 0 H GLU A 62 -5.782 -11.829 -7.563 1.00 3.33 H new ATOM 0 HA GLU A 62 -8.375 -11.160 -6.601 1.00 2.31 H new ATOM 0 HB2 GLU A 62 -7.478 -13.456 -6.718 1.00 53.15 H new ATOM 0 HB3 GLU A 62 -6.236 -13.050 -5.549 1.00 53.15 H new ATOM 0 HG2 GLU A 62 -7.910 -12.708 -3.803 1.00 11.12 H new ATOM 0 HG3 GLU A 62 -9.215 -12.915 -4.954 1.00 11.12 H new ATOM 1068 N GLU A 63 -5.811 -10.334 -4.659 1.00 24.31 N ATOM 1069 CA GLU A 63 -5.417 -9.426 -3.568 1.00 33.24 C ATOM 1070 C GLU A 63 -5.827 -7.986 -3.912 1.00 73.44 C ATOM 1071 O GLU A 63 -6.234 -7.216 -3.043 1.00 14.24 O ATOM 1072 CB GLU A 63 -3.895 -9.471 -3.294 1.00 70.12 C ATOM 1073 CG GLU A 63 -3.165 -10.705 -3.818 1.00 72.11 C ATOM 1074 CD GLU A 63 -3.727 -12.014 -3.290 1.00 5.20 C ATOM 1075 OE1 GLU A 63 -3.534 -12.314 -2.098 1.00 25.34 O ATOM 1076 OE2 GLU A 63 -4.354 -12.756 -4.074 1.00 51.34 O ATOM 0 H GLU A 63 -5.039 -10.855 -5.075 1.00 24.31 H new ATOM 0 HA GLU A 63 -5.931 -9.760 -2.667 1.00 33.24 H new ATOM 0 HB2 GLU A 63 -3.438 -8.586 -3.737 1.00 70.12 H new ATOM 0 HB3 GLU A 63 -3.736 -9.407 -2.218 1.00 70.12 H new ATOM 0 HG2 GLU A 63 -3.214 -10.711 -4.907 1.00 72.11 H new ATOM 0 HG3 GLU A 63 -2.111 -10.636 -3.547 1.00 72.11 H new ATOM 1083 N LEU A 64 -5.704 -7.640 -5.197 1.00 53.54 N ATOM 1084 CA LEU A 64 -6.126 -6.331 -5.713 1.00 53.20 C ATOM 1085 C LEU A 64 -7.573 -6.018 -5.302 1.00 3.24 C ATOM 1086 O LEU A 64 -7.862 -4.966 -4.726 1.00 12.20 O ATOM 1087 CB LEU A 64 -6.006 -6.327 -7.249 1.00 33.43 C ATOM 1088 CG LEU A 64 -6.258 -4.975 -7.941 1.00 2.33 C ATOM 1089 CD1 LEU A 64 -5.100 -4.013 -7.694 1.00 65.14 C ATOM 1090 CD2 LEU A 64 -6.489 -5.170 -9.440 1.00 42.43 C ATOM 0 H LEU A 64 -5.311 -8.256 -5.908 1.00 53.54 H new ATOM 0 HA LEU A 64 -5.479 -5.563 -5.289 1.00 53.20 H new ATOM 0 HB2 LEU A 64 -5.006 -6.669 -7.517 1.00 33.43 H new ATOM 0 HB3 LEU A 64 -6.710 -7.055 -7.651 1.00 33.43 H new ATOM 0 HG LEU A 64 -7.159 -4.537 -7.510 1.00 2.33 H new ATOM 0 HD11 LEU A 64 -5.302 -3.065 -8.193 1.00 65.14 H new ATOM 0 HD12 LEU A 64 -4.990 -3.843 -6.623 1.00 65.14 H new ATOM 0 HD13 LEU A 64 -4.180 -4.443 -8.089 1.00 65.14 H new ATOM 0 HD21 LEU A 64 -6.665 -4.202 -9.910 1.00 42.43 H new ATOM 0 HD22 LEU A 64 -5.610 -5.635 -9.886 1.00 42.43 H new ATOM 0 HD23 LEU A 64 -7.357 -5.811 -9.594 1.00 42.43 H new ATOM 1102 N ASP A 65 -8.473 -6.950 -5.596 1.00 62.54 N ATOM 1103 CA ASP A 65 -9.888 -6.796 -5.261 1.00 43.22 C ATOM 1104 C ASP A 65 -10.104 -6.769 -3.735 1.00 10.20 C ATOM 1105 O ASP A 65 -10.782 -5.883 -3.211 1.00 35.15 O ATOM 1106 CB ASP A 65 -10.692 -7.930 -5.905 1.00 34.01 C ATOM 1107 CG ASP A 65 -12.185 -7.788 -5.682 1.00 65.41 C ATOM 1108 OD1 ASP A 65 -12.814 -6.940 -6.354 1.00 72.10 O ATOM 1109 OD2 ASP A 65 -12.737 -8.523 -4.838 1.00 44.33 O ATOM 0 H ASP A 65 -8.248 -7.826 -6.068 1.00 62.54 H new ATOM 0 HA ASP A 65 -10.237 -5.841 -5.654 1.00 43.22 H new ATOM 0 HB2 ASP A 65 -10.489 -7.951 -6.976 1.00 34.01 H new ATOM 0 HB3 ASP A 65 -10.357 -8.884 -5.498 1.00 34.01 H new ATOM 1114 N LYS A 66 -9.499 -7.724 -3.027 1.00 34.31 N ATOM 1115 CA LYS A 66 -9.643 -7.816 -1.566 1.00 50.35 C ATOM 1116 C LYS A 66 -9.213 -6.517 -0.863 1.00 43.23 C ATOM 1117 O LYS A 66 -9.903 -6.023 0.032 1.00 64.12 O ATOM 1118 CB LYS A 66 -8.821 -8.990 -1.012 1.00 24.44 C ATOM 1119 CG LYS A 66 -9.204 -10.354 -1.581 1.00 51.32 C ATOM 1120 CD LYS A 66 -10.676 -10.705 -1.351 1.00 44.12 C ATOM 1121 CE LYS A 66 -11.042 -10.822 0.126 1.00 64.33 C ATOM 1122 NZ LYS A 66 -11.246 -9.494 0.760 1.00 53.13 N ATOM 0 H LYS A 66 -8.905 -8.445 -3.437 1.00 34.31 H new ATOM 0 HA LYS A 66 -10.701 -7.982 -1.362 1.00 50.35 H new ATOM 0 HB2 LYS A 66 -7.766 -8.808 -1.217 1.00 24.44 H new ATOM 0 HB3 LYS A 66 -8.935 -9.017 0.072 1.00 24.44 H new ATOM 0 HG2 LYS A 66 -8.996 -10.367 -2.651 1.00 51.32 H new ATOM 0 HG3 LYS A 66 -8.578 -11.121 -1.125 1.00 51.32 H new ATOM 0 HD2 LYS A 66 -11.302 -9.942 -1.814 1.00 44.12 H new ATOM 0 HD3 LYS A 66 -10.900 -11.648 -1.850 1.00 44.12 H new ATOM 0 HE2 LYS A 66 -11.951 -11.415 0.228 1.00 64.33 H new ATOM 0 HE3 LYS A 66 -10.252 -11.357 0.653 1.00 64.33 H new ATOM 0 HZ1 LYS A 66 -11.701 -9.618 1.687 1.00 53.13 H new ATOM 0 HZ2 LYS A 66 -10.327 -9.025 0.886 1.00 53.13 H new ATOM 0 HZ3 LYS A 66 -11.853 -8.908 0.152 1.00 53.13 H new ATOM 1136 N ALA A 67 -8.069 -5.974 -1.277 1.00 44.21 N ATOM 1137 CA ALA A 67 -7.539 -4.738 -0.696 1.00 2.33 C ATOM 1138 C ALA A 67 -8.516 -3.565 -0.868 1.00 0.20 C ATOM 1139 O ALA A 67 -8.840 -2.862 0.093 1.00 71.21 O ATOM 1140 CB ALA A 67 -6.185 -4.400 -1.314 1.00 53.01 C ATOM 0 H ALA A 67 -7.488 -6.371 -2.015 1.00 44.21 H new ATOM 0 HA ALA A 67 -7.409 -4.903 0.374 1.00 2.33 H new ATOM 0 HB1 ALA A 67 -5.803 -3.479 -0.873 1.00 53.01 H new ATOM 0 HB2 ALA A 67 -5.484 -5.212 -1.121 1.00 53.01 H new ATOM 0 HB3 ALA A 67 -6.299 -4.267 -2.390 1.00 53.01 H new ATOM 1146 N LYS A 68 -8.998 -3.363 -2.097 1.00 51.40 N ATOM 1147 CA LYS A 68 -9.940 -2.276 -2.374 1.00 72.22 C ATOM 1148 C LYS A 68 -11.316 -2.540 -1.735 1.00 25.33 C ATOM 1149 O LYS A 68 -12.055 -1.601 -1.443 1.00 10.21 O ATOM 1150 CB LYS A 68 -10.073 -2.036 -3.888 1.00 64.33 C ATOM 1151 CG LYS A 68 -10.634 -3.215 -4.671 1.00 11.03 C ATOM 1152 CD LYS A 68 -10.617 -2.958 -6.180 1.00 32.34 C ATOM 1153 CE LYS A 68 -11.459 -1.745 -6.569 1.00 31.22 C ATOM 1154 NZ LYS A 68 -11.457 -1.514 -8.038 1.00 20.31 N ATOM 0 H LYS A 68 -8.755 -3.931 -2.908 1.00 51.40 H new ATOM 0 HA LYS A 68 -9.537 -1.371 -1.920 1.00 72.22 H new ATOM 0 HB2 LYS A 68 -10.716 -1.171 -4.050 1.00 64.33 H new ATOM 0 HB3 LYS A 68 -9.092 -1.784 -4.290 1.00 64.33 H new ATOM 0 HG2 LYS A 68 -10.051 -4.109 -4.448 1.00 11.03 H new ATOM 0 HG3 LYS A 68 -11.656 -3.412 -4.348 1.00 11.03 H new ATOM 0 HD2 LYS A 68 -9.589 -2.805 -6.509 1.00 32.34 H new ATOM 0 HD3 LYS A 68 -10.991 -3.839 -6.701 1.00 32.34 H new ATOM 0 HE2 LYS A 68 -12.483 -1.890 -6.226 1.00 31.22 H new ATOM 0 HE3 LYS A 68 -11.075 -0.860 -6.062 1.00 31.22 H new ATOM 0 HZ1 LYS A 68 -12.040 -0.682 -8.259 1.00 20.31 H new ATOM 0 HZ2 LYS A 68 -10.483 -1.350 -8.362 1.00 20.31 H new ATOM 0 HZ3 LYS A 68 -11.847 -2.348 -8.521 1.00 20.31 H new ATOM 1168 N GLU A 69 -11.658 -3.813 -1.510 1.00 72.40 N ATOM 1169 CA GLU A 69 -12.884 -4.161 -0.775 1.00 0.45 C ATOM 1170 C GLU A 69 -12.893 -3.519 0.618 1.00 63.43 C ATOM 1171 O GLU A 69 -13.848 -2.843 1.001 1.00 33.40 O ATOM 1172 CB GLU A 69 -13.033 -5.684 -0.607 1.00 74.44 C ATOM 1173 CG GLU A 69 -13.532 -6.427 -1.835 1.00 34.52 C ATOM 1174 CD GLU A 69 -13.999 -7.828 -1.477 1.00 30.44 C ATOM 1175 OE1 GLU A 69 -13.158 -8.660 -1.086 1.00 54.12 O ATOM 1176 OE2 GLU A 69 -15.224 -8.078 -1.519 1.00 10.35 O ATOM 0 H GLU A 69 -11.110 -4.615 -1.822 1.00 72.40 H new ATOM 0 HA GLU A 69 -13.717 -3.780 -1.365 1.00 0.45 H new ATOM 0 HB2 GLU A 69 -12.066 -6.098 -0.320 1.00 74.44 H new ATOM 0 HB3 GLU A 69 -13.719 -5.877 0.218 1.00 74.44 H new ATOM 0 HG2 GLU A 69 -14.353 -5.873 -2.290 1.00 34.52 H new ATOM 0 HG3 GLU A 69 -12.736 -6.485 -2.577 1.00 34.52 H new ATOM 1183 N LEU A 70 -11.828 -3.760 1.378 1.00 44.24 N ATOM 1184 CA LEU A 70 -11.700 -3.227 2.739 1.00 52.33 C ATOM 1185 C LEU A 70 -11.680 -1.690 2.749 1.00 31.30 C ATOM 1186 O LEU A 70 -12.312 -1.052 3.597 1.00 20.14 O ATOM 1187 CB LEU A 70 -10.433 -3.786 3.402 1.00 40.32 C ATOM 1188 CG LEU A 70 -10.467 -5.298 3.694 1.00 34.31 C ATOM 1189 CD1 LEU A 70 -9.108 -5.790 4.188 1.00 43.41 C ATOM 1190 CD2 LEU A 70 -11.564 -5.622 4.709 1.00 15.34 C ATOM 0 H LEU A 70 -11.034 -4.324 1.075 1.00 44.24 H new ATOM 0 HA LEU A 70 -12.574 -3.544 3.308 1.00 52.33 H new ATOM 0 HB2 LEU A 70 -9.580 -3.574 2.758 1.00 40.32 H new ATOM 0 HB3 LEU A 70 -10.265 -3.254 4.338 1.00 40.32 H new ATOM 0 HG LEU A 70 -10.694 -5.820 2.764 1.00 34.31 H new ATOM 0 HD11 LEU A 70 -9.159 -6.860 4.387 1.00 43.41 H new ATOM 0 HD12 LEU A 70 -8.353 -5.598 3.426 1.00 43.41 H new ATOM 0 HD13 LEU A 70 -8.841 -5.263 5.104 1.00 43.41 H new ATOM 0 HD21 LEU A 70 -11.574 -6.694 4.904 1.00 15.34 H new ATOM 0 HD22 LEU A 70 -11.370 -5.086 5.638 1.00 15.34 H new ATOM 0 HD23 LEU A 70 -12.531 -5.317 4.309 1.00 15.34 H new ATOM 1202 N ALA A 71 -10.956 -1.102 1.802 1.00 1.03 N ATOM 1203 CA ALA A 71 -10.884 0.358 1.672 1.00 54.40 C ATOM 1204 C ALA A 71 -12.260 0.979 1.376 1.00 33.55 C ATOM 1205 O ALA A 71 -12.621 2.015 1.937 1.00 22.51 O ATOM 1206 CB ALA A 71 -9.888 0.732 0.583 1.00 53.11 C ATOM 0 H ALA A 71 -10.408 -1.612 1.109 1.00 1.03 H new ATOM 0 HA ALA A 71 -10.547 0.761 2.627 1.00 54.40 H new ATOM 0 HB1 ALA A 71 -9.839 1.817 0.492 1.00 53.11 H new ATOM 0 HB2 ALA A 71 -8.903 0.345 0.843 1.00 53.11 H new ATOM 0 HB3 ALA A 71 -10.208 0.302 -0.366 1.00 53.11 H new ATOM 1212 N GLN A 72 -13.024 0.340 0.492 1.00 24.24 N ATOM 1213 CA GLN A 72 -14.361 0.821 0.121 1.00 10.43 C ATOM 1214 C GLN A 72 -15.375 0.657 1.268 1.00 64.23 C ATOM 1215 O GLN A 72 -16.141 1.576 1.562 1.00 34.54 O ATOM 1216 CB GLN A 72 -14.858 0.088 -1.133 1.00 22.32 C ATOM 1217 CG GLN A 72 -14.067 0.425 -2.395 1.00 12.12 C ATOM 1218 CD GLN A 72 -14.528 -0.368 -3.608 1.00 40.22 C ATOM 1219 OE1 GLN A 72 -15.409 0.060 -4.348 1.00 0.34 O ATOM 1220 NE2 GLN A 72 -13.939 -1.526 -3.822 1.00 1.53 N ATOM 0 H GLN A 72 -12.742 -0.516 0.015 1.00 24.24 H new ATOM 0 HA GLN A 72 -14.277 1.887 -0.090 1.00 10.43 H new ATOM 0 HB2 GLN A 72 -14.807 -0.987 -0.959 1.00 22.32 H new ATOM 0 HB3 GLN A 72 -15.907 0.335 -1.296 1.00 22.32 H new ATOM 0 HG2 GLN A 72 -14.163 1.490 -2.605 1.00 12.12 H new ATOM 0 HG3 GLN A 72 -13.009 0.229 -2.219 1.00 12.12 H new ATOM 0 HE21 GLN A 72 -13.210 -1.852 -3.187 1.00 1.53 H new ATOM 0 HE22 GLN A 72 -14.212 -2.097 -4.622 1.00 1.53 H new ATOM 1229 N LYS A 73 -15.373 -0.506 1.922 1.00 1.52 N ATOM 1230 CA LYS A 73 -16.320 -0.771 3.018 1.00 4.33 C ATOM 1231 C LYS A 73 -16.055 0.124 4.243 1.00 0.14 C ATOM 1232 O LYS A 73 -16.943 0.336 5.075 1.00 50.25 O ATOM 1233 CB LYS A 73 -16.288 -2.251 3.428 1.00 32.35 C ATOM 1234 CG LYS A 73 -16.789 -3.206 2.345 1.00 51.41 C ATOM 1235 CD LYS A 73 -17.013 -4.621 2.887 1.00 72.14 C ATOM 1236 CE LYS A 73 -15.712 -5.302 3.305 1.00 42.41 C ATOM 1237 NZ LYS A 73 -14.867 -5.655 2.131 1.00 51.14 N ATOM 0 H LYS A 73 -14.735 -1.275 1.718 1.00 1.52 H new ATOM 0 HA LYS A 73 -17.314 -0.530 2.640 1.00 4.33 H new ATOM 0 HB2 LYS A 73 -15.266 -2.522 3.693 1.00 32.35 H new ATOM 0 HB3 LYS A 73 -16.895 -2.383 4.324 1.00 32.35 H new ATOM 0 HG2 LYS A 73 -17.722 -2.825 1.929 1.00 51.41 H new ATOM 0 HG3 LYS A 73 -16.067 -3.240 1.529 1.00 51.41 H new ATOM 0 HD2 LYS A 73 -17.687 -4.576 3.743 1.00 72.14 H new ATOM 0 HD3 LYS A 73 -17.506 -5.224 2.125 1.00 72.14 H new ATOM 0 HE2 LYS A 73 -15.154 -4.642 3.968 1.00 42.41 H new ATOM 0 HE3 LYS A 73 -15.941 -6.204 3.872 1.00 42.41 H new ATOM 0 HZ1 LYS A 73 -13.890 -5.340 2.299 1.00 51.14 H new ATOM 0 HZ2 LYS A 73 -14.880 -6.686 1.991 1.00 51.14 H new ATOM 0 HZ3 LYS A 73 -15.240 -5.186 1.281 1.00 51.14 H new ATOM 1251 N MET A 74 -14.831 0.641 4.363 1.00 61.51 N ATOM 1252 CA MET A 74 -14.496 1.597 5.430 1.00 44.34 C ATOM 1253 C MET A 74 -14.311 3.026 4.884 1.00 75.22 C ATOM 1254 O MET A 74 -13.898 3.922 5.618 1.00 50.54 O ATOM 1255 CB MET A 74 -13.240 1.144 6.190 1.00 5.14 C ATOM 1256 CG MET A 74 -13.460 -0.113 7.025 1.00 34.14 C ATOM 1257 SD MET A 74 -12.018 -0.569 8.007 1.00 75.20 S ATOM 1258 CE MET A 74 -10.841 -0.969 6.720 1.00 73.50 C ATOM 0 H MET A 74 -14.055 0.418 3.739 1.00 61.51 H new ATOM 0 HA MET A 74 -15.337 1.617 6.123 1.00 44.34 H new ATOM 0 HB2 MET A 74 -12.438 0.961 5.475 1.00 5.14 H new ATOM 0 HB3 MET A 74 -12.908 1.951 6.842 1.00 5.14 H new ATOM 0 HG2 MET A 74 -14.310 0.043 7.689 1.00 34.14 H new ATOM 0 HG3 MET A 74 -13.719 -0.940 6.364 1.00 34.14 H new ATOM 0 HE1 MET A 74 -10.047 -1.591 7.133 1.00 73.50 H new ATOM 0 HE2 MET A 74 -11.347 -1.510 5.920 1.00 73.50 H new ATOM 0 HE3 MET A 74 -10.411 -0.050 6.322 1.00 73.50 H new ATOM 1268 N GLU A 75 -14.627 3.225 3.598 1.00 5.53 N ATOM 1269 CA GLU A 75 -14.591 4.553 2.955 1.00 41.15 C ATOM 1270 C GLU A 75 -13.241 5.272 3.143 1.00 14.10 C ATOM 1271 O GLU A 75 -13.131 6.222 3.922 1.00 31.52 O ATOM 1272 CB GLU A 75 -15.733 5.431 3.490 1.00 51.34 C ATOM 1273 CG GLU A 75 -17.116 4.807 3.339 1.00 63.21 C ATOM 1274 CD GLU A 75 -18.205 5.638 3.998 1.00 73.31 C ATOM 1275 OE1 GLU A 75 -18.365 5.542 5.235 1.00 73.42 O ATOM 1276 OE2 GLU A 75 -18.913 6.385 3.289 1.00 52.41 O ATOM 0 H GLU A 75 -14.915 2.474 2.971 1.00 5.53 H new ATOM 0 HA GLU A 75 -14.719 4.390 1.885 1.00 41.15 H new ATOM 0 HB2 GLU A 75 -15.553 5.641 4.544 1.00 51.34 H new ATOM 0 HB3 GLU A 75 -15.718 6.388 2.968 1.00 51.34 H new ATOM 0 HG2 GLU A 75 -17.344 4.689 2.280 1.00 63.21 H new ATOM 0 HG3 GLU A 75 -17.110 3.809 3.777 1.00 63.21 H new ATOM 1283 N ILE A 76 -12.209 4.814 2.437 1.00 33.22 N ATOM 1284 CA ILE A 76 -10.872 5.421 2.536 1.00 33.32 C ATOM 1285 C ILE A 76 -10.288 5.734 1.149 1.00 52.14 C ATOM 1286 O ILE A 76 -10.394 4.927 0.224 1.00 62.31 O ATOM 1287 CB ILE A 76 -9.888 4.496 3.299 1.00 14.40 C ATOM 1288 CG1 ILE A 76 -10.484 4.074 4.653 1.00 61.42 C ATOM 1289 CG2 ILE A 76 -8.539 5.190 3.501 1.00 21.02 C ATOM 1290 CD1 ILE A 76 -9.598 3.147 5.455 1.00 3.42 C ATOM 0 H ILE A 76 -12.267 4.027 1.790 1.00 33.22 H new ATOM 0 HA ILE A 76 -10.994 6.352 3.089 1.00 33.32 H new ATOM 0 HB ILE A 76 -9.726 3.601 2.698 1.00 14.40 H new ATOM 0 HG12 ILE A 76 -10.686 4.968 5.244 1.00 61.42 H new ATOM 0 HG13 ILE A 76 -11.442 3.584 4.479 1.00 61.42 H new ATOM 0 HG21 ILE A 76 -7.864 4.524 4.038 1.00 21.02 H new ATOM 0 HG22 ILE A 76 -8.108 5.438 2.531 1.00 21.02 H new ATOM 0 HG23 ILE A 76 -8.683 6.103 4.078 1.00 21.02 H new ATOM 0 HD11 ILE A 76 -10.090 2.897 6.395 1.00 3.42 H new ATOM 0 HD12 ILE A 76 -9.416 2.235 4.886 1.00 3.42 H new ATOM 0 HD13 ILE A 76 -8.648 3.640 5.662 1.00 3.42 H new ATOM 1302 N ASP A 77 -9.664 6.906 1.014 1.00 0.44 N ATOM 1303 CA ASP A 77 -9.034 7.315 -0.248 1.00 14.32 C ATOM 1304 C ASP A 77 -7.679 6.604 -0.436 1.00 73.25 C ATOM 1305 O ASP A 77 -6.676 6.969 0.188 1.00 64.33 O ATOM 1306 CB ASP A 77 -8.850 8.840 -0.271 1.00 15.20 C ATOM 1307 CG ASP A 77 -8.404 9.365 -1.630 1.00 52.04 C ATOM 1308 OD1 ASP A 77 -7.236 9.152 -2.006 1.00 44.15 O ATOM 1309 OD2 ASP A 77 -9.220 10.004 -2.327 1.00 71.01 O ATOM 0 H ASP A 77 -9.580 7.592 1.764 1.00 0.44 H new ATOM 0 HA ASP A 77 -9.685 7.026 -1.073 1.00 14.32 H new ATOM 0 HB2 ASP A 77 -9.789 9.318 0.007 1.00 15.20 H new ATOM 0 HB3 ASP A 77 -8.114 9.123 0.481 1.00 15.20 H new ATOM 1314 N VAL A 78 -7.656 5.575 -1.284 1.00 64.02 N ATOM 1315 CA VAL A 78 -6.436 4.787 -1.514 1.00 72.13 C ATOM 1316 C VAL A 78 -6.206 4.492 -3.006 1.00 64.51 C ATOM 1317 O VAL A 78 -7.105 4.651 -3.834 1.00 62.33 O ATOM 1318 CB VAL A 78 -6.477 3.434 -0.748 1.00 54.02 C ATOM 1319 CG1 VAL A 78 -6.703 3.656 0.747 1.00 24.13 C ATOM 1320 CG2 VAL A 78 -7.546 2.509 -1.329 1.00 13.02 C ATOM 0 H VAL A 78 -8.464 5.265 -1.824 1.00 64.02 H new ATOM 0 HA VAL A 78 -5.614 5.398 -1.141 1.00 72.13 H new ATOM 0 HB VAL A 78 -5.508 2.950 -0.873 1.00 54.02 H new ATOM 0 HG11 VAL A 78 -6.727 2.694 1.258 1.00 24.13 H new ATOM 0 HG12 VAL A 78 -5.892 4.261 1.152 1.00 24.13 H new ATOM 0 HG13 VAL A 78 -7.651 4.172 0.899 1.00 24.13 H new ATOM 0 HG21 VAL A 78 -7.554 1.570 -0.776 1.00 13.02 H new ATOM 0 HG22 VAL A 78 -8.523 2.986 -1.249 1.00 13.02 H new ATOM 0 HG23 VAL A 78 -7.324 2.310 -2.378 1.00 13.02 H new ATOM 1330 N ARG A 79 -4.985 4.073 -3.334 1.00 2.40 N ATOM 1331 CA ARG A 79 -4.649 3.579 -4.676 1.00 4.42 C ATOM 1332 C ARG A 79 -4.358 2.074 -4.635 1.00 22.34 C ATOM 1333 O ARG A 79 -3.316 1.654 -4.137 1.00 22.34 O ATOM 1334 CB ARG A 79 -3.419 4.302 -5.241 1.00 11.42 C ATOM 1335 CG ARG A 79 -3.654 5.754 -5.623 1.00 50.34 C ATOM 1336 CD ARG A 79 -2.433 6.351 -6.316 1.00 55.50 C ATOM 1337 NE ARG A 79 -2.700 7.687 -6.830 1.00 2.31 N ATOM 1338 CZ ARG A 79 -1.890 8.357 -7.600 1.00 4.22 C ATOM 1339 NH1 ARG A 79 -0.747 7.863 -7.953 1.00 35.31 N ATOM 1340 NH2 ARG A 79 -2.228 9.536 -8.005 1.00 22.32 N ATOM 0 H ARG A 79 -4.200 4.065 -2.682 1.00 2.40 H new ATOM 0 HA ARG A 79 -5.507 3.775 -5.319 1.00 4.42 H new ATOM 0 HB2 ARG A 79 -2.619 4.260 -4.502 1.00 11.42 H new ATOM 0 HB3 ARG A 79 -3.069 3.761 -6.120 1.00 11.42 H new ATOM 0 HG2 ARG A 79 -4.519 5.823 -6.283 1.00 50.34 H new ATOM 0 HG3 ARG A 79 -3.887 6.334 -4.730 1.00 50.34 H new ATOM 0 HD2 ARG A 79 -1.601 6.392 -5.613 1.00 55.50 H new ATOM 0 HD3 ARG A 79 -2.127 5.701 -7.136 1.00 55.50 H new ATOM 0 HE ARG A 79 -3.582 8.129 -6.569 1.00 2.31 H new ATOM 0 HH11 ARG A 79 -0.469 6.937 -7.628 1.00 35.31 H new ATOM 0 HH12 ARG A 79 -0.124 8.400 -8.556 1.00 35.31 H new ATOM 0 HH21 ARG A 79 -3.123 9.935 -7.722 1.00 22.32 H new ATOM 0 HH22 ARG A 79 -1.600 10.068 -8.608 1.00 22.32 H new ATOM 1354 N THR A 80 -5.268 1.266 -5.159 1.00 11.53 N ATOM 1355 CA THR A 80 -5.075 -0.188 -5.183 1.00 55.13 C ATOM 1356 C THR A 80 -4.425 -0.622 -6.505 1.00 22.33 C ATOM 1357 O THR A 80 -5.096 -0.727 -7.534 1.00 74.11 O ATOM 1358 CB THR A 80 -6.415 -0.942 -4.993 1.00 55.31 C ATOM 1359 OG1 THR A 80 -7.208 -0.297 -3.983 1.00 15.42 O ATOM 1360 CG2 THR A 80 -6.167 -2.388 -4.579 1.00 63.32 C ATOM 0 H THR A 80 -6.145 1.584 -5.573 1.00 11.53 H new ATOM 0 HA THR A 80 -4.416 -0.443 -4.353 1.00 55.13 H new ATOM 0 HB THR A 80 -6.946 -0.927 -5.945 1.00 55.31 H new ATOM 0 HG1 THR A 80 -7.383 -0.927 -3.253 1.00 15.42 H new ATOM 0 HG21 THR A 80 -7.121 -2.899 -4.451 1.00 63.32 H new ATOM 0 HG22 THR A 80 -5.586 -2.893 -5.351 1.00 63.32 H new ATOM 0 HG23 THR A 80 -5.616 -2.408 -3.639 1.00 63.32 H new ATOM 1368 N ARG A 81 -3.111 -0.838 -6.481 1.00 75.13 N ATOM 1369 CA ARG A 81 -2.343 -1.167 -7.694 1.00 20.30 C ATOM 1370 C ARG A 81 -1.743 -2.585 -7.624 1.00 65.01 C ATOM 1371 O ARG A 81 -1.379 -3.066 -6.552 1.00 24.24 O ATOM 1372 CB ARG A 81 -1.206 -0.149 -7.883 1.00 71.30 C ATOM 1373 CG ARG A 81 -1.649 1.315 -7.951 1.00 51.34 C ATOM 1374 CD ARG A 81 -2.436 1.644 -9.220 1.00 25.34 C ATOM 1375 NE ARG A 81 -3.771 1.050 -9.225 1.00 60.51 N ATOM 1376 CZ ARG A 81 -4.481 0.832 -10.296 1.00 24.40 C ATOM 1377 NH1 ARG A 81 -4.031 1.146 -11.468 1.00 12.21 N ATOM 1378 NH2 ARG A 81 -5.651 0.300 -10.187 1.00 40.01 N ATOM 0 H ARG A 81 -2.548 -0.792 -5.632 1.00 75.13 H new ATOM 0 HA ARG A 81 -3.031 -1.128 -8.539 1.00 20.30 H new ATOM 0 HB2 ARG A 81 -0.499 -0.261 -7.061 1.00 71.30 H new ATOM 0 HB3 ARG A 81 -0.670 -0.393 -8.800 1.00 71.30 H new ATOM 0 HG2 ARG A 81 -2.263 1.544 -7.080 1.00 51.34 H new ATOM 0 HG3 ARG A 81 -0.770 1.957 -7.899 1.00 51.34 H new ATOM 0 HD2 ARG A 81 -2.524 2.726 -9.318 1.00 25.34 H new ATOM 0 HD3 ARG A 81 -1.882 1.289 -10.089 1.00 25.34 H new ATOM 0 HE ARG A 81 -4.176 0.787 -8.326 1.00 60.51 H new ATOM 0 HH11 ARG A 81 -3.108 1.570 -11.563 1.00 12.21 H new ATOM 0 HH12 ARG A 81 -4.599 0.969 -12.297 1.00 12.21 H new ATOM 0 HH21 ARG A 81 -6.015 0.053 -9.267 1.00 40.01 H new ATOM 0 HH22 ARG A 81 -6.212 0.127 -11.021 1.00 40.01 H new ATOM 1392 N LYS A 82 -1.635 -3.240 -8.777 1.00 41.33 N ATOM 1393 CA LYS A 82 -1.011 -4.569 -8.869 1.00 41.53 C ATOM 1394 C LYS A 82 0.408 -4.478 -9.459 1.00 1.20 C ATOM 1395 O LYS A 82 0.635 -3.778 -10.449 1.00 44.24 O ATOM 1396 CB LYS A 82 -1.868 -5.504 -9.739 1.00 74.12 C ATOM 1397 CG LYS A 82 -1.365 -6.949 -9.767 1.00 30.14 C ATOM 1398 CD LYS A 82 -2.106 -7.804 -10.794 1.00 13.23 C ATOM 1399 CE LYS A 82 -1.821 -7.348 -12.222 1.00 62.04 C ATOM 1400 NZ LYS A 82 -2.481 -8.221 -13.226 1.00 52.52 N ATOM 0 H LYS A 82 -1.972 -2.875 -9.668 1.00 41.33 H new ATOM 0 HA LYS A 82 -0.943 -4.973 -7.859 1.00 41.53 H new ATOM 0 HB2 LYS A 82 -2.893 -5.492 -9.369 1.00 74.12 H new ATOM 0 HB3 LYS A 82 -1.893 -5.117 -10.758 1.00 74.12 H new ATOM 0 HG2 LYS A 82 -0.299 -6.955 -9.994 1.00 30.14 H new ATOM 0 HG3 LYS A 82 -1.483 -7.391 -8.778 1.00 30.14 H new ATOM 0 HD2 LYS A 82 -1.811 -8.847 -10.680 1.00 13.23 H new ATOM 0 HD3 LYS A 82 -3.178 -7.754 -10.603 1.00 13.23 H new ATOM 0 HE2 LYS A 82 -2.166 -6.322 -12.351 1.00 62.04 H new ATOM 0 HE3 LYS A 82 -0.745 -7.346 -12.394 1.00 62.04 H new ATOM 0 HZ1 LYS A 82 -2.262 -7.877 -14.183 1.00 52.52 H new ATOM 0 HZ2 LYS A 82 -2.133 -9.196 -13.121 1.00 52.52 H new ATOM 0 HZ3 LYS A 82 -3.510 -8.203 -13.079 1.00 52.52 H new ATOM 1414 N VAL A 83 1.355 -5.189 -8.849 1.00 31.25 N ATOM 1415 CA VAL A 83 2.740 -5.226 -9.330 1.00 71.01 C ATOM 1416 C VAL A 83 3.269 -6.670 -9.418 1.00 13.13 C ATOM 1417 O VAL A 83 3.078 -7.473 -8.510 1.00 41.15 O ATOM 1418 CB VAL A 83 3.682 -4.393 -8.419 1.00 65.24 C ATOM 1419 CG1 VAL A 83 3.308 -2.914 -8.452 1.00 13.23 C ATOM 1420 CG2 VAL A 83 3.666 -4.921 -6.984 1.00 34.30 C ATOM 0 H VAL A 83 1.189 -5.752 -8.015 1.00 31.25 H new ATOM 0 HA VAL A 83 2.733 -4.789 -10.328 1.00 71.01 H new ATOM 0 HB VAL A 83 4.695 -4.496 -8.807 1.00 65.24 H new ATOM 0 HG11 VAL A 83 3.983 -2.353 -7.806 1.00 13.23 H new ATOM 0 HG12 VAL A 83 3.390 -2.541 -9.473 1.00 13.23 H new ATOM 0 HG13 VAL A 83 2.283 -2.790 -8.101 1.00 13.23 H new ATOM 0 HG21 VAL A 83 4.334 -4.320 -6.368 1.00 34.30 H new ATOM 0 HG22 VAL A 83 2.653 -4.862 -6.586 1.00 34.30 H new ATOM 0 HG23 VAL A 83 3.999 -5.959 -6.974 1.00 34.30 H new ATOM 1430 N THR A 84 3.938 -6.988 -10.523 1.00 73.44 N ATOM 1431 CA THR A 84 4.543 -8.317 -10.719 1.00 44.04 C ATOM 1432 C THR A 84 6.076 -8.237 -10.761 1.00 4.30 C ATOM 1433 O THR A 84 6.757 -9.223 -11.055 1.00 22.24 O ATOM 1434 CB THR A 84 4.036 -8.975 -12.025 1.00 10.13 C ATOM 1435 OG1 THR A 84 4.226 -8.078 -13.131 1.00 23.31 O ATOM 1436 CG2 THR A 84 2.560 -9.352 -11.915 1.00 54.02 C ATOM 0 H THR A 84 4.079 -6.346 -11.303 1.00 73.44 H new ATOM 0 HA THR A 84 4.243 -8.927 -9.867 1.00 44.04 H new ATOM 0 HB THR A 84 4.611 -9.886 -12.191 1.00 10.13 H new ATOM 0 HG1 THR A 84 3.905 -8.501 -13.954 1.00 23.31 H new ATOM 0 HG21 THR A 84 2.232 -9.812 -12.847 1.00 54.02 H new ATOM 0 HG22 THR A 84 2.425 -10.057 -11.095 1.00 54.02 H new ATOM 0 HG23 THR A 84 1.969 -8.456 -11.725 1.00 54.02 H new ATOM 1444 N SER A 85 6.610 -7.058 -10.455 1.00 12.10 N ATOM 1445 CA SER A 85 8.061 -6.824 -10.442 1.00 40.14 C ATOM 1446 C SER A 85 8.435 -5.804 -9.360 1.00 34.35 C ATOM 1447 O SER A 85 7.702 -4.839 -9.137 1.00 75.40 O ATOM 1448 CB SER A 85 8.538 -6.303 -11.808 1.00 71.42 C ATOM 1449 OG SER A 85 8.248 -7.218 -12.852 1.00 52.30 O ATOM 0 H SER A 85 6.056 -6.237 -10.209 1.00 12.10 H new ATOM 0 HA SER A 85 8.548 -7.775 -10.227 1.00 40.14 H new ATOM 0 HB2 SER A 85 8.059 -5.347 -12.019 1.00 71.42 H new ATOM 0 HB3 SER A 85 9.612 -6.121 -11.772 1.00 71.42 H new ATOM 0 HG SER A 85 8.564 -6.852 -13.705 1.00 52.30 H new ATOM 1455 N PRO A 86 9.584 -5.989 -8.678 1.00 70.42 N ATOM 1456 CA PRO A 86 10.052 -5.040 -7.649 1.00 55.44 C ATOM 1457 C PRO A 86 10.198 -3.614 -8.200 1.00 74.43 C ATOM 1458 O PRO A 86 9.863 -2.634 -7.531 1.00 13.00 O ATOM 1459 CB PRO A 86 11.420 -5.604 -7.224 1.00 65.01 C ATOM 1460 CG PRO A 86 11.804 -6.564 -8.305 1.00 22.43 C ATOM 1461 CD PRO A 86 10.514 -7.119 -8.843 1.00 22.20 C ATOM 0 HA PRO A 86 9.346 -4.954 -6.823 1.00 55.44 H new ATOM 0 HB2 PRO A 86 12.159 -4.809 -7.123 1.00 65.01 H new ATOM 0 HB3 PRO A 86 11.356 -6.105 -6.258 1.00 65.01 H new ATOM 0 HG2 PRO A 86 12.370 -6.062 -9.090 1.00 22.43 H new ATOM 0 HG3 PRO A 86 12.438 -7.360 -7.913 1.00 22.43 H new ATOM 0 HD2 PRO A 86 10.606 -7.419 -9.887 1.00 22.20 H new ATOM 0 HD3 PRO A 86 10.187 -7.997 -8.286 1.00 22.20 H new ATOM 1469 N ASP A 87 10.683 -3.518 -9.438 1.00 63.20 N ATOM 1470 CA ASP A 87 10.880 -2.231 -10.109 1.00 73.43 C ATOM 1471 C ASP A 87 9.545 -1.487 -10.302 1.00 0.25 C ATOM 1472 O ASP A 87 9.490 -0.258 -10.222 1.00 42.12 O ATOM 1473 CB ASP A 87 11.575 -2.456 -11.455 1.00 23.05 C ATOM 1474 CG ASP A 87 12.799 -3.344 -11.317 1.00 14.02 C ATOM 1475 OD1 ASP A 87 13.792 -2.907 -10.697 1.00 61.03 O ATOM 1476 OD2 ASP A 87 12.771 -4.490 -11.812 1.00 4.20 O ATOM 0 H ASP A 87 10.949 -4.325 -10.002 1.00 63.20 H new ATOM 0 HA ASP A 87 11.512 -1.605 -9.479 1.00 73.43 H new ATOM 0 HB2 ASP A 87 10.873 -2.910 -12.155 1.00 23.05 H new ATOM 0 HB3 ASP A 87 11.869 -1.495 -11.877 1.00 23.05 H new ATOM 1481 N GLU A 88 8.470 -2.240 -10.537 1.00 0.31 N ATOM 1482 CA GLU A 88 7.129 -1.657 -10.658 1.00 21.22 C ATOM 1483 C GLU A 88 6.703 -0.991 -9.341 1.00 72.34 C ATOM 1484 O GLU A 88 6.291 0.167 -9.326 1.00 51.33 O ATOM 1485 CB GLU A 88 6.106 -2.733 -11.056 1.00 44.52 C ATOM 1486 CG GLU A 88 6.334 -3.328 -12.443 1.00 32.31 C ATOM 1487 CD GLU A 88 6.175 -2.306 -13.559 1.00 63.25 C ATOM 1488 OE1 GLU A 88 5.022 -1.977 -13.910 1.00 54.03 O ATOM 1489 OE2 GLU A 88 7.200 -1.833 -14.096 1.00 1.44 O ATOM 0 H GLU A 88 8.499 -3.254 -10.648 1.00 0.31 H new ATOM 0 HA GLU A 88 7.162 -0.896 -11.438 1.00 21.22 H new ATOM 0 HB2 GLU A 88 6.134 -3.536 -10.319 1.00 44.52 H new ATOM 0 HB3 GLU A 88 5.106 -2.300 -11.018 1.00 44.52 H new ATOM 0 HG2 GLU A 88 7.335 -3.756 -12.489 1.00 32.31 H new ATOM 0 HG3 GLU A 88 5.630 -4.145 -12.602 1.00 32.31 H new ATOM 1496 N ALA A 89 6.815 -1.731 -8.237 1.00 31.42 N ATOM 1497 CA ALA A 89 6.507 -1.194 -6.904 1.00 25.43 C ATOM 1498 C ALA A 89 7.331 0.070 -6.610 1.00 22.54 C ATOM 1499 O ALA A 89 6.804 1.071 -6.123 1.00 3.04 O ATOM 1500 CB ALA A 89 6.759 -2.258 -5.840 1.00 62.24 C ATOM 0 H ALA A 89 7.117 -2.705 -8.236 1.00 31.42 H new ATOM 0 HA ALA A 89 5.453 -0.916 -6.883 1.00 25.43 H new ATOM 0 HB1 ALA A 89 6.528 -1.850 -4.856 1.00 62.24 H new ATOM 0 HB2 ALA A 89 6.124 -3.123 -6.033 1.00 62.24 H new ATOM 0 HB3 ALA A 89 7.805 -2.562 -5.870 1.00 62.24 H new ATOM 1506 N LYS A 90 8.624 0.012 -6.924 1.00 51.32 N ATOM 1507 CA LYS A 90 9.517 1.169 -6.790 1.00 10.13 C ATOM 1508 C LYS A 90 9.007 2.366 -7.617 1.00 41.02 C ATOM 1509 O LYS A 90 9.071 3.516 -7.178 1.00 52.31 O ATOM 1510 CB LYS A 90 10.935 0.783 -7.247 1.00 62.11 C ATOM 1511 CG LYS A 90 11.587 -0.314 -6.399 1.00 44.34 C ATOM 1512 CD LYS A 90 12.817 -0.912 -7.082 1.00 64.15 C ATOM 1513 CE LYS A 90 13.946 0.101 -7.257 1.00 14.33 C ATOM 1514 NZ LYS A 90 14.633 0.404 -5.975 1.00 75.51 N ATOM 0 H LYS A 90 9.082 -0.829 -7.276 1.00 51.32 H new ATOM 0 HA LYS A 90 9.537 1.467 -5.742 1.00 10.13 H new ATOM 0 HB2 LYS A 90 10.893 0.449 -8.284 1.00 62.11 H new ATOM 0 HB3 LYS A 90 11.567 1.670 -7.223 1.00 62.11 H new ATOM 0 HG2 LYS A 90 11.874 0.098 -5.432 1.00 44.34 H new ATOM 0 HG3 LYS A 90 10.860 -1.103 -6.206 1.00 44.34 H new ATOM 0 HD2 LYS A 90 13.179 -1.756 -6.494 1.00 64.15 H new ATOM 0 HD3 LYS A 90 12.531 -1.303 -8.058 1.00 64.15 H new ATOM 0 HE2 LYS A 90 14.671 -0.286 -7.973 1.00 14.33 H new ATOM 0 HE3 LYS A 90 13.543 1.022 -7.678 1.00 14.33 H new ATOM 0 HZ1 LYS A 90 15.334 1.157 -6.126 1.00 75.51 H new ATOM 0 HZ2 LYS A 90 13.934 0.718 -5.272 1.00 75.51 H new ATOM 0 HZ3 LYS A 90 15.113 -0.451 -5.628 1.00 75.51 H new ATOM 1528 N ARG A 91 8.497 2.079 -8.814 1.00 32.32 N ATOM 1529 CA ARG A 91 7.976 3.112 -9.720 1.00 43.11 C ATOM 1530 C ARG A 91 6.659 3.721 -9.202 1.00 14.23 C ATOM 1531 O ARG A 91 6.463 4.936 -9.266 1.00 20.20 O ATOM 1532 CB ARG A 91 7.779 2.518 -11.123 1.00 11.21 C ATOM 1533 CG ARG A 91 7.249 3.510 -12.158 1.00 50.54 C ATOM 1534 CD ARG A 91 7.192 2.890 -13.552 1.00 41.42 C ATOM 1535 NE ARG A 91 6.608 3.797 -14.541 1.00 54.34 N ATOM 1536 CZ ARG A 91 7.151 4.078 -15.698 1.00 34.15 C ATOM 1537 NH1 ARG A 91 8.313 3.598 -16.016 1.00 13.43 N ATOM 1538 NH2 ARG A 91 6.535 4.855 -16.529 1.00 1.31 N ATOM 0 H ARG A 91 8.432 1.131 -9.185 1.00 32.32 H new ATOM 0 HA ARG A 91 8.707 3.919 -9.766 1.00 43.11 H new ATOM 0 HB2 ARG A 91 8.731 2.120 -11.473 1.00 11.21 H new ATOM 0 HB3 ARG A 91 7.088 1.678 -11.055 1.00 11.21 H new ATOM 0 HG2 ARG A 91 6.253 3.844 -11.866 1.00 50.54 H new ATOM 0 HG3 ARG A 91 7.888 4.393 -12.177 1.00 50.54 H new ATOM 0 HD2 ARG A 91 8.199 2.614 -13.866 1.00 41.42 H new ATOM 0 HD3 ARG A 91 6.607 1.971 -13.515 1.00 41.42 H new ATOM 0 HE ARG A 91 5.718 4.240 -14.313 1.00 54.34 H new ATOM 0 HH11 ARG A 91 8.812 2.995 -15.362 1.00 13.43 H new ATOM 0 HH12 ARG A 91 8.728 3.823 -16.920 1.00 13.43 H new ATOM 0 HH21 ARG A 91 5.627 5.248 -16.282 1.00 1.31 H new ATOM 0 HH22 ARG A 91 6.958 5.075 -17.431 1.00 1.31 H new ATOM 1552 N TRP A 92 5.761 2.881 -8.687 1.00 73.33 N ATOM 1553 CA TRP A 92 4.487 3.358 -8.130 1.00 34.44 C ATOM 1554 C TRP A 92 4.704 4.237 -6.889 1.00 24.53 C ATOM 1555 O TRP A 92 4.142 5.325 -6.789 1.00 33.40 O ATOM 1556 CB TRP A 92 3.562 2.181 -7.793 1.00 25.21 C ATOM 1557 CG TRP A 92 2.957 1.534 -9.007 1.00 11.44 C ATOM 1558 CD1 TRP A 92 3.285 0.327 -9.555 1.00 60.45 C ATOM 1559 CD2 TRP A 92 1.918 2.077 -9.830 1.00 71.14 C ATOM 1560 NE1 TRP A 92 2.505 0.084 -10.661 1.00 23.03 N ATOM 1561 CE2 TRP A 92 1.659 1.143 -10.850 1.00 12.25 C ATOM 1562 CE3 TRP A 92 1.176 3.259 -9.797 1.00 55.32 C ATOM 1563 CZ2 TRP A 92 0.695 1.358 -11.830 1.00 0.50 C ATOM 1564 CZ3 TRP A 92 0.220 3.473 -10.771 1.00 63.41 C ATOM 1565 CH2 TRP A 92 -0.016 2.525 -11.775 1.00 25.11 C ATOM 0 H TRP A 92 5.888 1.870 -8.642 1.00 73.33 H new ATOM 0 HA TRP A 92 4.009 3.970 -8.895 1.00 34.44 H new ATOM 0 HB2 TRP A 92 4.125 1.434 -7.234 1.00 25.21 H new ATOM 0 HB3 TRP A 92 2.763 2.531 -7.140 1.00 25.21 H new ATOM 0 HD1 TRP A 92 4.046 -0.339 -9.175 1.00 60.45 H new ATOM 0 HE1 TRP A 92 2.550 -0.750 -11.246 1.00 23.03 H new ATOM 0 HE3 TRP A 92 1.346 3.993 -9.024 1.00 55.32 H new ATOM 0 HZ2 TRP A 92 0.515 0.629 -12.606 1.00 0.50 H new ATOM 0 HZ3 TRP A 92 -0.355 4.387 -10.758 1.00 63.41 H new ATOM 0 HH2 TRP A 92 -0.774 2.719 -12.520 1.00 25.11 H new ATOM 1576 N ILE A 93 5.525 3.771 -5.948 1.00 61.41 N ATOM 1577 CA ILE A 93 5.866 4.572 -4.762 1.00 21.33 C ATOM 1578 C ILE A 93 6.473 5.924 -5.173 1.00 30.23 C ATOM 1579 O ILE A 93 6.242 6.951 -4.528 1.00 71.31 O ATOM 1580 CB ILE A 93 6.844 3.811 -3.828 1.00 65.33 C ATOM 1581 CG1 ILE A 93 6.189 2.509 -3.337 1.00 61.11 C ATOM 1582 CG2 ILE A 93 7.272 4.684 -2.642 1.00 61.53 C ATOM 1583 CD1 ILE A 93 7.076 1.678 -2.435 1.00 2.33 C ATOM 0 H ILE A 93 5.965 2.851 -5.979 1.00 61.41 H new ATOM 0 HA ILE A 93 4.942 4.753 -4.213 1.00 21.33 H new ATOM 0 HB ILE A 93 7.742 3.565 -4.395 1.00 65.33 H new ATOM 0 HG12 ILE A 93 5.272 2.755 -2.802 1.00 61.11 H new ATOM 0 HG13 ILE A 93 5.903 1.909 -4.201 1.00 61.11 H new ATOM 0 HG21 ILE A 93 7.957 4.123 -2.006 1.00 61.53 H new ATOM 0 HG22 ILE A 93 7.771 5.580 -3.011 1.00 61.53 H new ATOM 0 HG23 ILE A 93 6.393 4.970 -2.065 1.00 61.53 H new ATOM 0 HD11 ILE A 93 6.543 0.777 -2.131 1.00 2.33 H new ATOM 0 HD12 ILE A 93 7.983 1.400 -2.972 1.00 2.33 H new ATOM 0 HD13 ILE A 93 7.342 2.258 -1.551 1.00 2.33 H new ATOM 1595 N LYS A 94 7.241 5.910 -6.262 1.00 62.44 N ATOM 1596 CA LYS A 94 7.801 7.135 -6.840 1.00 43.21 C ATOM 1597 C LYS A 94 6.695 8.111 -7.289 1.00 61.34 C ATOM 1598 O LYS A 94 6.630 9.244 -6.808 1.00 35.41 O ATOM 1599 CB LYS A 94 8.721 6.774 -8.022 1.00 12.51 C ATOM 1600 CG LYS A 94 8.832 7.852 -9.100 1.00 23.34 C ATOM 1601 CD LYS A 94 9.789 7.440 -10.219 1.00 62.55 C ATOM 1602 CE LYS A 94 9.532 8.219 -11.506 1.00 2.15 C ATOM 1603 NZ LYS A 94 9.533 9.691 -11.295 1.00 31.15 N ATOM 0 H LYS A 94 7.492 5.059 -6.766 1.00 62.44 H new ATOM 0 HA LYS A 94 8.383 7.642 -6.070 1.00 43.21 H new ATOM 0 HB2 LYS A 94 9.718 6.562 -7.636 1.00 12.51 H new ATOM 0 HB3 LYS A 94 8.355 5.856 -8.482 1.00 12.51 H new ATOM 0 HG2 LYS A 94 7.846 8.049 -9.520 1.00 23.34 H new ATOM 0 HG3 LYS A 94 9.178 8.782 -8.650 1.00 23.34 H new ATOM 0 HD2 LYS A 94 10.817 7.603 -9.895 1.00 62.55 H new ATOM 0 HD3 LYS A 94 9.682 6.373 -10.413 1.00 62.55 H new ATOM 0 HE2 LYS A 94 10.295 7.961 -12.241 1.00 2.15 H new ATOM 0 HE3 LYS A 94 8.572 7.916 -11.924 1.00 2.15 H new ATOM 0 HZ1 LYS A 94 10.001 10.157 -12.099 1.00 31.15 H new ATOM 0 HZ2 LYS A 94 8.553 10.032 -11.220 1.00 31.15 H new ATOM 0 HZ3 LYS A 94 10.046 9.916 -10.419 1.00 31.15 H new ATOM 1617 N GLU A 95 5.803 7.658 -8.178 1.00 72.51 N ATOM 1618 CA GLU A 95 4.781 8.546 -8.760 1.00 31.00 C ATOM 1619 C GLU A 95 3.744 8.982 -7.712 1.00 71.53 C ATOM 1620 O GLU A 95 3.234 10.105 -7.760 1.00 15.25 O ATOM 1621 CB GLU A 95 4.107 7.883 -9.982 1.00 73.30 C ATOM 1622 CG GLU A 95 3.257 6.641 -9.688 1.00 52.32 C ATOM 1623 CD GLU A 95 1.837 6.966 -9.232 1.00 24.11 C ATOM 1624 OE1 GLU A 95 1.232 7.919 -9.784 1.00 43.31 O ATOM 1625 OE2 GLU A 95 1.322 6.282 -8.320 1.00 11.32 O ATOM 0 H GLU A 95 5.765 6.694 -8.509 1.00 72.51 H new ATOM 0 HA GLU A 95 5.285 9.449 -9.105 1.00 31.00 H new ATOM 0 HB2 GLU A 95 3.475 8.625 -10.470 1.00 73.30 H new ATOM 0 HB3 GLU A 95 4.884 7.607 -10.695 1.00 73.30 H new ATOM 0 HG2 GLU A 95 3.209 6.023 -10.585 1.00 52.32 H new ATOM 0 HG3 GLU A 95 3.750 6.048 -8.918 1.00 52.32 H new ATOM 1632 N PHE A 96 3.445 8.099 -6.762 1.00 34.42 N ATOM 1633 CA PHE A 96 2.551 8.430 -5.647 1.00 14.42 C ATOM 1634 C PHE A 96 3.142 9.556 -4.784 1.00 43.52 C ATOM 1635 O PHE A 96 2.439 10.481 -4.376 1.00 72.04 O ATOM 1636 CB PHE A 96 2.297 7.181 -4.794 1.00 0.44 C ATOM 1637 CG PHE A 96 1.372 7.407 -3.624 1.00 75.50 C ATOM 1638 CD1 PHE A 96 0.009 7.575 -3.822 1.00 24.12 C ATOM 1639 CD2 PHE A 96 1.863 7.442 -2.325 1.00 13.43 C ATOM 1640 CE1 PHE A 96 -0.843 7.775 -2.754 1.00 31.32 C ATOM 1641 CE2 PHE A 96 1.015 7.639 -1.252 1.00 11.55 C ATOM 1642 CZ PHE A 96 -0.340 7.806 -1.467 1.00 22.12 C ATOM 0 H PHE A 96 3.808 7.146 -6.739 1.00 34.42 H new ATOM 0 HA PHE A 96 1.604 8.781 -6.056 1.00 14.42 H new ATOM 0 HB2 PHE A 96 1.877 6.401 -5.429 1.00 0.44 H new ATOM 0 HB3 PHE A 96 3.252 6.809 -4.421 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -0.391 7.549 -4.825 1.00 24.12 H new ATOM 0 HD2 PHE A 96 2.921 7.314 -2.152 1.00 13.43 H new ATOM 0 HE1 PHE A 96 -1.901 7.907 -2.924 1.00 31.32 H new ATOM 0 HE2 PHE A 96 1.410 7.662 -0.247 1.00 11.55 H new ATOM 0 HZ PHE A 96 -1.005 7.961 -0.630 1.00 22.12 H new ATOM 1652 N SER A 97 4.445 9.478 -4.516 1.00 61.30 N ATOM 1653 CA SER A 97 5.142 10.539 -3.774 1.00 31.10 C ATOM 1654 C SER A 97 5.152 11.850 -4.570 1.00 11.34 C ATOM 1655 O SER A 97 5.051 12.940 -3.998 1.00 13.41 O ATOM 1656 CB SER A 97 6.585 10.122 -3.444 1.00 24.44 C ATOM 1657 OG SER A 97 7.263 11.133 -2.710 1.00 12.21 O ATOM 0 H SER A 97 5.040 8.699 -4.797 1.00 61.30 H new ATOM 0 HA SER A 97 4.600 10.698 -2.842 1.00 31.10 H new ATOM 0 HB2 SER A 97 6.575 9.197 -2.868 1.00 24.44 H new ATOM 0 HB3 SER A 97 7.126 9.916 -4.368 1.00 24.44 H new ATOM 0 HG SER A 97 7.479 10.798 -1.815 1.00 12.21 H new ATOM 1663 N GLU A 98 5.245 11.736 -5.899 1.00 62.10 N ATOM 1664 CA GLU A 98 5.250 12.909 -6.785 1.00 54.30 C ATOM 1665 C GLU A 98 3.908 13.667 -6.752 1.00 41.42 C ATOM 1666 O GLU A 98 3.785 14.747 -7.336 1.00 4.54 O ATOM 1667 CB GLU A 98 5.596 12.498 -8.227 1.00 44.31 C ATOM 1668 CG GLU A 98 6.981 11.870 -8.370 1.00 10.31 C ATOM 1669 CD GLU A 98 7.385 11.623 -9.818 1.00 72.41 C ATOM 1670 OE1 GLU A 98 7.060 10.548 -10.367 1.00 60.21 O ATOM 1671 OE2 GLU A 98 8.051 12.500 -10.409 1.00 62.02 O ATOM 0 H GLU A 98 5.318 10.843 -6.387 1.00 62.10 H new ATOM 0 HA GLU A 98 6.018 13.588 -6.415 1.00 54.30 H new ATOM 0 HB2 GLU A 98 4.847 11.791 -8.584 1.00 44.31 H new ATOM 0 HB3 GLU A 98 5.537 13.376 -8.870 1.00 44.31 H new ATOM 0 HG2 GLU A 98 7.718 12.522 -7.901 1.00 10.31 H new ATOM 0 HG3 GLU A 98 7.001 10.924 -7.828 1.00 10.31 H new