USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 888 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 SER OG : rot 180:sc= -1.76! USER MOD Single : A 30 ASN : amide:sc= -0.0675 K(o=-0.067,f=-0.99) USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.13) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -136:sc= 0.0577 (180deg=-2.1!) USER MOD Single : A 41 MET CE :methyl -122:sc= 0 (180deg=-0.397) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= -0.0707 (180deg=-0.299) USER MOD Single : A 46 ASN : amide:sc= -0.0531 K(o=-0.053,f=-1.3!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 43:sc= 0.38 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -107:sc= 0.598 (180deg=-0.403) USER MOD Single : A 65 SER OG : rot -8:sc= 1.21 USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= -1.41 (180deg=-1.87) USER MOD Single : A 79 THR OG1 : rot -67:sc= 0.895 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -115:sc= 0.907 (180deg=-0.431) USER MOD Single : A 86 LYS NZ :NH3+ 161:sc= 1.33 (180deg=0.613) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= -0.0602 (180deg=-0.286) USER MOD Single : A 92 LYS NZ :NH3+ -148:sc= 2.16 (180deg=0.42!) USER MOD Single : A 95 LYS NZ :NH3+ 167:sc= -0.0265 (180deg=-0.222) USER MOD Single : A 96 LYS NZ :NH3+ 148:sc= 1.07 (180deg=0.473) USER MOD Single : A 97 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.1) USER MOD Single : A 104 LYS NZ :NH3+ -155:sc= 1.17 (180deg=0.491) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 107 SER OG : rot 156:sc= 0.713 USER MOD Single : A 112 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.08) USER MOD Single : A 116 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0712) USER MOD Single : A 119 SER OG : rot -83:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -3.358 12.893 -3.985 1.00 1.16 N ATOM 2 CA GLY A 22 -4.133 11.886 -3.221 1.00 1.05 C ATOM 3 C GLY A 22 -3.648 10.479 -3.489 1.00 0.87 C ATOM 4 O GLY A 22 -4.175 9.791 -4.362 1.00 0.89 O ATOM 0 HA2 GLY A 22 -4.055 12.100 -2.155 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -5.188 11.963 -3.485 1.00 1.05 H new ATOM 7 N LEU A 23 -2.648 10.048 -2.735 1.00 0.75 N ATOM 8 CA LEU A 23 -2.072 8.725 -2.908 1.00 0.62 C ATOM 9 C LEU A 23 -1.936 8.043 -1.549 1.00 0.51 C ATOM 10 O LEU A 23 -1.224 8.525 -0.668 1.00 0.59 O ATOM 11 CB LEU A 23 -0.707 8.850 -3.611 1.00 0.75 C ATOM 12 CG LEU A 23 -0.109 7.562 -4.208 1.00 1.22 C ATOM 13 CD1 LEU A 23 0.436 6.644 -3.127 1.00 1.78 C ATOM 14 CD2 LEU A 23 -1.139 6.828 -5.055 1.00 1.91 C ATOM 0 H LEU A 23 -2.217 10.600 -1.993 1.00 0.75 H new ATOM 0 HA LEU A 23 -2.724 8.112 -3.530 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -0.804 9.582 -4.413 1.00 0.75 H new ATOM 0 HB3 LEU A 23 0.008 9.255 -2.895 1.00 0.75 H new ATOM 0 HG LEU A 23 0.723 7.857 -4.847 1.00 1.22 H new ATOM 0 HD11 LEU A 23 0.849 5.746 -3.586 1.00 1.78 H new ATOM 0 HD12 LEU A 23 1.219 7.161 -2.571 1.00 1.78 H new ATOM 0 HD13 LEU A 23 -0.369 6.366 -2.446 1.00 1.78 H new ATOM 0 HD21 LEU A 23 -0.693 5.922 -5.466 1.00 1.91 H new ATOM 0 HD22 LEU A 23 -1.996 6.562 -4.436 1.00 1.91 H new ATOM 0 HD23 LEU A 23 -1.466 7.473 -5.870 1.00 1.91 H new ATOM 26 N LEU A 24 -2.645 6.936 -1.379 1.00 0.40 N ATOM 27 CA LEU A 24 -2.577 6.155 -0.154 1.00 0.39 C ATOM 28 C LEU A 24 -1.849 4.848 -0.431 1.00 0.38 C ATOM 29 O LEU A 24 -2.080 4.214 -1.458 1.00 0.50 O ATOM 30 CB LEU A 24 -3.986 5.874 0.382 1.00 0.44 C ATOM 31 CG LEU A 24 -4.051 5.077 1.691 1.00 0.50 C ATOM 32 CD1 LEU A 24 -3.484 5.884 2.851 1.00 1.02 C ATOM 33 CD2 LEU A 24 -5.482 4.653 1.986 1.00 1.24 C ATOM 0 H LEU A 24 -3.279 6.557 -2.082 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.032 6.721 0.601 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.495 6.826 0.532 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.544 5.331 -0.381 1.00 0.44 H new ATOM 0 HG LEU A 24 -3.440 4.182 1.572 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -3.542 5.295 3.767 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -2.443 6.134 2.646 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -4.060 6.801 2.972 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -5.509 4.089 2.918 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -6.112 5.538 2.079 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -5.851 4.028 1.173 1.00 1.24 H new ATOM 45 N VAL A 25 -0.968 4.450 0.470 1.00 0.37 N ATOM 46 CA VAL A 25 -0.171 3.253 0.260 1.00 0.40 C ATOM 47 C VAL A 25 -0.595 2.133 1.210 1.00 0.42 C ATOM 48 O VAL A 25 -0.718 2.341 2.415 1.00 0.56 O ATOM 49 CB VAL A 25 1.336 3.542 0.451 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.169 2.297 0.185 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.788 4.686 -0.445 1.00 0.84 C ATOM 0 H VAL A 25 -0.787 4.934 1.349 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.343 2.932 -0.767 1.00 0.40 H new ATOM 0 HB VAL A 25 1.488 3.839 1.489 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.225 2.528 0.326 1.00 0.95 H new ATOM 0 HG12 VAL A 25 1.875 1.508 0.877 1.00 0.95 H new ATOM 0 HG13 VAL A 25 2.005 1.962 -0.839 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.851 4.870 -0.292 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.612 4.423 -1.488 1.00 0.84 H new ATOM 0 HG23 VAL A 25 1.225 5.586 -0.198 1.00 0.84 H new ATOM 61 N LEU A 26 -0.835 0.953 0.658 1.00 0.46 N ATOM 62 CA LEU A 26 -1.072 -0.237 1.459 1.00 0.57 C ATOM 63 C LEU A 26 0.083 -1.197 1.240 1.00 0.51 C ATOM 64 O LEU A 26 0.651 -1.243 0.150 1.00 0.58 O ATOM 65 CB LEU A 26 -2.386 -0.928 1.072 1.00 0.75 C ATOM 66 CG LEU A 26 -3.643 -0.047 1.053 1.00 0.74 C ATOM 67 CD1 LEU A 26 -4.861 -0.872 0.662 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.877 0.617 2.400 1.00 1.00 C ATOM 0 H LEU A 26 -0.871 0.794 -0.349 1.00 0.46 H new ATOM 0 HA LEU A 26 -1.147 0.055 2.506 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -2.262 -1.367 0.082 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.556 -1.751 1.766 1.00 0.75 H new ATOM 0 HG LEU A 26 -3.487 0.737 0.312 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.745 -0.234 0.653 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.710 -1.297 -0.330 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -5.002 -1.677 1.383 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.775 1.233 2.351 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -4.004 -0.148 3.166 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -3.021 1.243 2.651 1.00 1.00 H new ATOM 80 N ILE A 27 0.442 -1.955 2.256 1.00 0.50 N ATOM 81 CA ILE A 27 1.576 -2.853 2.142 1.00 0.49 C ATOM 82 C ILE A 27 1.394 -4.093 3.009 1.00 0.51 C ATOM 83 O ILE A 27 0.901 -4.014 4.136 1.00 0.72 O ATOM 84 CB ILE A 27 2.893 -2.127 2.527 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.096 -3.072 2.409 1.00 0.87 C ATOM 86 CG2 ILE A 27 2.799 -1.546 3.934 1.00 1.00 C ATOM 87 CD1 ILE A 27 5.423 -2.403 2.703 1.00 0.96 C ATOM 0 H ILE A 27 -0.028 -1.969 3.161 1.00 0.50 H new ATOM 0 HA ILE A 27 1.637 -3.170 1.101 1.00 0.49 H new ATOM 0 HB ILE A 27 3.040 -1.304 1.827 1.00 0.59 H new ATOM 0 HG12 ILE A 27 3.960 -3.908 3.095 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.123 -3.488 1.402 1.00 0.87 H new ATOM 0 HG21 ILE A 27 3.733 -1.042 4.183 1.00 1.00 H new ATOM 0 HG22 ILE A 27 1.978 -0.831 3.978 1.00 1.00 H new ATOM 0 HG23 ILE A 27 2.619 -2.350 4.648 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.228 -3.131 2.600 1.00 0.96 H new ATOM 0 HD12 ILE A 27 5.582 -1.585 2.000 1.00 0.96 H new ATOM 0 HD13 ILE A 27 5.416 -2.011 3.720 1.00 0.96 H new ATOM 99 N TRP A 28 1.752 -5.244 2.459 1.00 0.45 N ATOM 100 CA TRP A 28 1.852 -6.458 3.248 1.00 0.48 C ATOM 101 C TRP A 28 3.168 -7.141 2.926 1.00 0.48 C ATOM 102 O TRP A 28 3.307 -7.813 1.902 1.00 0.49 O ATOM 103 CB TRP A 28 0.681 -7.411 2.981 1.00 0.56 C ATOM 104 CG TRP A 28 0.510 -8.458 4.050 1.00 0.89 C ATOM 105 CD1 TRP A 28 -0.417 -8.450 5.051 1.00 1.53 C ATOM 106 CD2 TRP A 28 1.287 -9.653 4.239 1.00 1.15 C ATOM 107 NE1 TRP A 28 -0.275 -9.564 5.840 1.00 2.09 N ATOM 108 CE2 TRP A 28 0.764 -10.315 5.366 1.00 1.83 C ATOM 109 CE3 TRP A 28 2.369 -10.228 3.569 1.00 1.19 C ATOM 110 CZ2 TRP A 28 1.287 -11.518 5.835 1.00 2.26 C ATOM 111 CZ3 TRP A 28 2.886 -11.420 4.034 1.00 1.61 C ATOM 112 CH2 TRP A 28 2.346 -12.055 5.158 1.00 2.06 C ATOM 0 H TRP A 28 1.977 -5.360 1.471 1.00 0.45 H new ATOM 0 HA TRP A 28 1.813 -6.191 4.304 1.00 0.48 H new ATOM 0 HB2 TRP A 28 -0.239 -6.832 2.899 1.00 0.56 H new ATOM 0 HB3 TRP A 28 0.834 -7.904 2.021 1.00 0.56 H new ATOM 0 HD1 TRP A 28 -1.157 -7.678 5.201 1.00 1.53 H new ATOM 0 HE1 TRP A 28 -0.852 -9.794 6.649 1.00 2.09 H new ATOM 0 HE3 TRP A 28 2.795 -9.747 2.701 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 0.871 -12.009 6.702 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 3.723 -11.871 3.521 1.00 1.61 H new ATOM 0 HH2 TRP A 28 2.774 -12.987 5.497 1.00 2.06 H new ATOM 123 N SER A 29 4.147 -6.900 3.770 1.00 0.50 N ATOM 124 CA SER A 29 5.433 -7.559 3.680 1.00 0.54 C ATOM 125 C SER A 29 5.948 -7.810 5.088 1.00 0.60 C ATOM 126 O SER A 29 5.418 -7.237 6.046 1.00 0.87 O ATOM 127 CB SER A 29 6.415 -6.681 2.900 1.00 0.57 C ATOM 128 OG SER A 29 5.857 -6.269 1.664 1.00 1.29 O ATOM 0 H SER A 29 4.074 -6.238 4.542 1.00 0.50 H new ATOM 0 HA SER A 29 5.332 -8.508 3.154 1.00 0.54 H new ATOM 0 HB2 SER A 29 6.677 -5.806 3.494 1.00 0.57 H new ATOM 0 HB3 SER A 29 7.338 -7.232 2.721 1.00 0.57 H new ATOM 0 HG SER A 29 6.502 -5.708 1.185 1.00 1.29 H new ATOM 134 N ASN A 30 6.959 -8.650 5.238 1.00 0.65 N ATOM 135 CA ASN A 30 7.623 -8.753 6.527 1.00 0.69 C ATOM 136 C ASN A 30 9.131 -8.866 6.360 1.00 0.68 C ATOM 137 O ASN A 30 9.749 -9.897 6.634 1.00 0.75 O ATOM 138 CB ASN A 30 7.062 -9.928 7.347 1.00 0.81 C ATOM 139 CG ASN A 30 6.974 -11.240 6.582 1.00 1.55 C ATOM 140 OD1 ASN A 30 7.761 -11.514 5.675 1.00 2.33 O ATOM 141 ND2 ASN A 30 6.005 -12.062 6.948 1.00 2.23 N ATOM 0 H ASN A 30 7.330 -9.255 4.506 1.00 0.65 H new ATOM 0 HA ASN A 30 7.420 -7.836 7.081 1.00 0.69 H new ATOM 0 HB2 ASN A 30 7.690 -10.075 8.226 1.00 0.81 H new ATOM 0 HB3 ASN A 30 6.068 -9.663 7.706 1.00 0.81 H new ATOM 0 HD21 ASN A 30 5.890 -12.958 6.474 1.00 2.23 H new ATOM 0 HD22 ASN A 30 5.372 -11.800 7.704 1.00 2.23 H new ATOM 148 N ASP A 31 9.704 -7.764 5.920 1.00 0.63 N ATOM 149 CA ASP A 31 11.134 -7.537 5.961 1.00 0.64 C ATOM 150 C ASP A 31 11.418 -6.344 6.869 1.00 0.65 C ATOM 151 O ASP A 31 10.554 -5.494 7.070 1.00 0.78 O ATOM 152 CB ASP A 31 11.678 -7.290 4.556 1.00 0.67 C ATOM 153 CG ASP A 31 13.173 -7.070 4.558 1.00 0.72 C ATOM 154 OD1 ASP A 31 13.607 -5.932 4.302 1.00 1.45 O ATOM 155 OD2 ASP A 31 13.921 -8.028 4.844 1.00 1.13 O ATOM 0 H ASP A 31 9.179 -6.988 5.517 1.00 0.63 H new ATOM 0 HA ASP A 31 11.634 -8.421 6.358 1.00 0.64 H new ATOM 0 HB2 ASP A 31 11.438 -8.142 3.919 1.00 0.67 H new ATOM 0 HB3 ASP A 31 11.184 -6.420 4.124 1.00 0.67 H new ATOM 160 N LYS A 32 12.622 -6.274 7.405 1.00 0.69 N ATOM 161 CA LYS A 32 12.990 -5.190 8.310 1.00 0.77 C ATOM 162 C LYS A 32 13.355 -3.917 7.540 1.00 0.71 C ATOM 163 O LYS A 32 13.057 -2.807 7.983 1.00 0.77 O ATOM 164 CB LYS A 32 14.147 -5.616 9.235 1.00 0.97 C ATOM 165 CG LYS A 32 15.542 -5.646 8.595 1.00 1.52 C ATOM 166 CD LYS A 32 15.671 -6.666 7.465 1.00 2.06 C ATOM 167 CE LYS A 32 15.216 -8.051 7.891 1.00 2.28 C ATOM 168 NZ LYS A 32 15.473 -9.070 6.837 1.00 3.05 N ATOM 0 H LYS A 32 13.364 -6.952 7.233 1.00 0.69 H new ATOM 0 HA LYS A 32 12.120 -4.968 8.927 1.00 0.77 H new ATOM 0 HB2 LYS A 32 14.174 -4.937 10.087 1.00 0.97 H new ATOM 0 HB3 LYS A 32 13.927 -6.609 9.626 1.00 0.97 H new ATOM 0 HG2 LYS A 32 15.777 -4.655 8.208 1.00 1.52 H new ATOM 0 HG3 LYS A 32 16.281 -5.871 9.364 1.00 1.52 H new ATOM 0 HD2 LYS A 32 15.079 -6.337 6.611 1.00 2.06 H new ATOM 0 HD3 LYS A 32 16.709 -6.711 7.135 1.00 2.06 H new ATOM 0 HE2 LYS A 32 15.734 -8.337 8.806 1.00 2.28 H new ATOM 0 HE3 LYS A 32 14.151 -8.028 8.121 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 15.275 -10.018 7.215 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 14.856 -8.887 6.020 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 16.468 -9.017 6.538 1.00 3.05 H new ATOM 182 N LYS A 33 13.959 -4.087 6.371 1.00 0.71 N ATOM 183 CA LYS A 33 14.494 -2.969 5.612 1.00 0.75 C ATOM 184 C LYS A 33 13.446 -2.413 4.655 1.00 0.64 C ATOM 185 O LYS A 33 13.397 -1.208 4.405 1.00 0.63 O ATOM 186 CB LYS A 33 15.731 -3.426 4.832 1.00 0.94 C ATOM 187 CG LYS A 33 16.429 -2.316 4.061 1.00 1.55 C ATOM 188 CD LYS A 33 17.109 -1.326 4.988 1.00 2.09 C ATOM 189 CE LYS A 33 17.828 -0.241 4.204 1.00 2.72 C ATOM 190 NZ LYS A 33 18.645 0.631 5.086 1.00 3.16 N ATOM 0 H LYS A 33 14.090 -4.996 5.927 1.00 0.71 H new ATOM 0 HA LYS A 33 14.774 -2.176 6.306 1.00 0.75 H new ATOM 0 HB2 LYS A 33 16.442 -3.871 5.528 1.00 0.94 H new ATOM 0 HB3 LYS A 33 15.437 -4.209 4.133 1.00 0.94 H new ATOM 0 HG2 LYS A 33 17.168 -2.750 3.388 1.00 1.55 H new ATOM 0 HG3 LYS A 33 15.702 -1.792 3.440 1.00 1.55 H new ATOM 0 HD2 LYS A 33 16.368 -0.872 5.646 1.00 2.09 H new ATOM 0 HD3 LYS A 33 17.821 -1.851 5.625 1.00 2.09 H new ATOM 0 HE2 LYS A 33 18.470 -0.701 3.453 1.00 2.72 H new ATOM 0 HE3 LYS A 33 17.097 0.366 3.670 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 19.119 1.358 4.513 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 18.029 1.090 5.787 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 19.360 0.056 5.577 1.00 3.16 H new ATOM 204 N LEU A 34 12.593 -3.294 4.144 1.00 0.62 N ATOM 205 CA LEU A 34 11.620 -2.911 3.136 1.00 0.61 C ATOM 206 C LEU A 34 10.559 -2.012 3.744 1.00 0.54 C ATOM 207 O LEU A 34 10.207 -0.978 3.182 1.00 0.61 O ATOM 208 CB LEU A 34 10.969 -4.154 2.520 1.00 0.66 C ATOM 209 CG LEU A 34 9.938 -3.875 1.421 1.00 0.80 C ATOM 210 CD1 LEU A 34 10.593 -3.201 0.228 1.00 1.22 C ATOM 211 CD2 LEU A 34 9.256 -5.164 0.994 1.00 1.59 C ATOM 0 H LEU A 34 12.558 -4.277 4.413 1.00 0.62 H new ATOM 0 HA LEU A 34 12.136 -2.362 2.348 1.00 0.61 H new ATOM 0 HB2 LEU A 34 11.753 -4.788 2.107 1.00 0.66 H new ATOM 0 HB3 LEU A 34 10.485 -4.722 3.314 1.00 0.66 H new ATOM 0 HG LEU A 34 9.183 -3.199 1.823 1.00 0.80 H new ATOM 0 HD11 LEU A 34 9.843 -3.012 -0.540 1.00 1.22 H new ATOM 0 HD12 LEU A 34 11.037 -2.256 0.542 1.00 1.22 H new ATOM 0 HD13 LEU A 34 11.370 -3.850 -0.175 1.00 1.22 H new ATOM 0 HD21 LEU A 34 8.527 -4.948 0.213 1.00 1.59 H new ATOM 0 HD22 LEU A 34 10.002 -5.861 0.612 1.00 1.59 H new ATOM 0 HD23 LEU A 34 8.749 -5.609 1.851 1.00 1.59 H new ATOM 223 N ILE A 35 10.073 -2.404 4.912 1.00 0.48 N ATOM 224 CA ILE A 35 9.032 -1.647 5.596 1.00 0.49 C ATOM 225 C ILE A 35 9.592 -0.325 6.102 1.00 0.48 C ATOM 226 O ILE A 35 8.925 0.710 6.037 1.00 0.53 O ATOM 227 CB ILE A 35 8.421 -2.457 6.770 1.00 0.55 C ATOM 228 CG1 ILE A 35 7.478 -3.561 6.266 1.00 0.61 C ATOM 229 CG2 ILE A 35 7.670 -1.546 7.733 1.00 0.64 C ATOM 230 CD1 ILE A 35 8.100 -4.572 5.330 1.00 1.01 C ATOM 0 H ILE A 35 10.381 -3.241 5.407 1.00 0.48 H new ATOM 0 HA ILE A 35 8.236 -1.447 4.879 1.00 0.49 H new ATOM 0 HB ILE A 35 9.252 -2.925 7.298 1.00 0.55 H new ATOM 0 HG12 ILE A 35 7.074 -4.091 7.129 1.00 0.61 H new ATOM 0 HG13 ILE A 35 6.636 -3.091 5.758 1.00 0.61 H new ATOM 0 HG21 ILE A 35 7.252 -2.141 8.546 1.00 0.64 H new ATOM 0 HG22 ILE A 35 8.356 -0.804 8.142 1.00 0.64 H new ATOM 0 HG23 ILE A 35 6.863 -1.041 7.202 1.00 0.64 H new ATOM 0 HD11 ILE A 35 7.349 -5.305 5.035 1.00 1.01 H new ATOM 0 HD12 ILE A 35 8.478 -4.063 4.443 1.00 1.01 H new ATOM 0 HD13 ILE A 35 8.922 -5.078 5.836 1.00 1.01 H new ATOM 242 N GLU A 36 10.831 -0.362 6.574 1.00 0.50 N ATOM 243 CA GLU A 36 11.482 0.831 7.077 1.00 0.53 C ATOM 244 C GLU A 36 11.616 1.876 5.971 1.00 0.48 C ATOM 245 O GLU A 36 11.154 3.005 6.115 1.00 0.51 O ATOM 246 CB GLU A 36 12.861 0.486 7.642 1.00 0.66 C ATOM 247 CG GLU A 36 13.516 1.637 8.385 1.00 1.22 C ATOM 248 CD GLU A 36 12.742 2.042 9.620 1.00 1.73 C ATOM 249 OE1 GLU A 36 11.854 2.912 9.518 1.00 2.62 O ATOM 250 OE2 GLU A 36 13.020 1.490 10.703 1.00 2.01 O ATOM 0 H GLU A 36 11.402 -1.206 6.617 1.00 0.50 H new ATOM 0 HA GLU A 36 10.867 1.246 7.876 1.00 0.53 H new ATOM 0 HB2 GLU A 36 12.766 -0.365 8.317 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.512 0.174 6.825 1.00 0.66 H new ATOM 0 HG2 GLU A 36 14.528 1.352 8.671 1.00 1.22 H new ATOM 0 HG3 GLU A 36 13.603 2.494 7.717 1.00 1.22 H new ATOM 257 N GLU A 37 12.222 1.483 4.854 1.00 0.48 N ATOM 258 CA GLU A 37 12.469 2.410 3.754 1.00 0.51 C ATOM 259 C GLU A 37 11.178 2.869 3.093 1.00 0.44 C ATOM 260 O GLU A 37 11.076 4.017 2.657 1.00 0.48 O ATOM 261 CB GLU A 37 13.399 1.789 2.715 1.00 0.65 C ATOM 262 CG GLU A 37 14.850 1.753 3.162 1.00 0.80 C ATOM 263 CD GLU A 37 15.328 3.103 3.660 1.00 0.91 C ATOM 264 OE1 GLU A 37 15.923 3.158 4.754 1.00 1.61 O ATOM 265 OE2 GLU A 37 15.087 4.118 2.974 1.00 1.55 O ATOM 0 H GLU A 37 12.550 0.532 4.687 1.00 0.48 H new ATOM 0 HA GLU A 37 12.953 3.287 4.183 1.00 0.51 H new ATOM 0 HB2 GLU A 37 13.066 0.774 2.498 1.00 0.65 H new ATOM 0 HB3 GLU A 37 13.325 2.354 1.786 1.00 0.65 H new ATOM 0 HG2 GLU A 37 14.966 1.013 3.954 1.00 0.80 H new ATOM 0 HG3 GLU A 37 15.477 1.431 2.330 1.00 0.80 H new ATOM 272 N ALA A 38 10.195 1.980 3.019 1.00 0.40 N ATOM 273 CA ALA A 38 8.900 2.337 2.459 1.00 0.42 C ATOM 274 C ALA A 38 8.256 3.440 3.286 1.00 0.39 C ATOM 275 O ALA A 38 7.722 4.410 2.744 1.00 0.42 O ATOM 276 CB ALA A 38 7.986 1.124 2.387 1.00 0.50 C ATOM 0 H ALA A 38 10.270 1.014 3.337 1.00 0.40 H new ATOM 0 HA ALA A 38 9.055 2.704 1.444 1.00 0.42 H new ATOM 0 HB1 ALA A 38 7.025 1.417 1.965 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.442 0.362 1.755 1.00 0.50 H new ATOM 0 HB3 ALA A 38 7.835 0.722 3.389 1.00 0.50 H new ATOM 282 N ARG A 39 8.332 3.303 4.604 1.00 0.41 N ATOM 283 CA ARG A 39 7.753 4.292 5.493 1.00 0.50 C ATOM 284 C ARG A 39 8.583 5.566 5.492 1.00 0.46 C ATOM 285 O ARG A 39 8.034 6.659 5.525 1.00 0.52 O ATOM 286 CB ARG A 39 7.615 3.751 6.915 1.00 0.62 C ATOM 287 CG ARG A 39 6.867 4.698 7.835 1.00 1.18 C ATOM 288 CD ARG A 39 6.687 4.118 9.224 1.00 1.43 C ATOM 289 NE ARG A 39 5.919 5.014 10.086 1.00 1.88 N ATOM 290 CZ ARG A 39 5.269 4.624 11.179 1.00 2.58 C ATOM 291 NH1 ARG A 39 5.312 3.351 11.564 1.00 2.84 N ATOM 292 NH2 ARG A 39 4.577 5.508 11.887 1.00 3.48 N ATOM 0 H ARG A 39 8.787 2.521 5.075 1.00 0.41 H new ATOM 0 HA ARG A 39 6.754 4.523 5.122 1.00 0.50 H new ATOM 0 HB2 ARG A 39 7.095 2.794 6.886 1.00 0.62 H new ATOM 0 HB3 ARG A 39 8.607 3.562 7.325 1.00 0.62 H new ATOM 0 HG2 ARG A 39 7.410 5.641 7.904 1.00 1.18 H new ATOM 0 HG3 ARG A 39 5.890 4.923 7.407 1.00 1.18 H new ATOM 0 HD2 ARG A 39 6.179 3.156 9.154 1.00 1.43 H new ATOM 0 HD3 ARG A 39 7.664 3.931 9.670 1.00 1.43 H new ATOM 0 HE ARG A 39 5.879 6.001 9.833 1.00 1.88 H new ATOM 0 HH11 ARG A 39 5.844 2.672 11.021 1.00 2.84 H new ATOM 0 HH12 ARG A 39 4.813 3.055 12.403 1.00 2.84 H new ATOM 0 HH21 ARG A 39 4.544 6.484 11.593 1.00 3.48 H new ATOM 0 HH22 ARG A 39 4.078 5.211 12.726 1.00 3.48 H new ATOM 306 N LYS A 40 9.901 5.421 5.440 1.00 0.45 N ATOM 307 CA LYS A 40 10.793 6.575 5.381 1.00 0.49 C ATOM 308 C LYS A 40 10.498 7.428 4.153 1.00 0.42 C ATOM 309 O LYS A 40 10.470 8.657 4.228 1.00 0.47 O ATOM 310 CB LYS A 40 12.256 6.127 5.364 1.00 0.62 C ATOM 311 CG LYS A 40 12.752 5.603 6.703 1.00 1.06 C ATOM 312 CD LYS A 40 14.158 5.015 6.618 1.00 1.58 C ATOM 313 CE LYS A 40 15.207 6.040 6.195 1.00 2.12 C ATOM 314 NZ LYS A 40 15.261 6.234 4.717 1.00 2.95 N ATOM 0 H LYS A 40 10.376 4.519 5.437 1.00 0.45 H new ATOM 0 HA LYS A 40 10.619 7.177 6.273 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.379 5.348 4.611 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.880 6.967 5.059 1.00 0.62 H new ATOM 0 HG2 LYS A 40 12.744 6.414 7.432 1.00 1.06 H new ATOM 0 HG3 LYS A 40 12.064 4.840 7.068 1.00 1.06 H new ATOM 0 HD2 LYS A 40 14.432 4.601 7.588 1.00 1.58 H new ATOM 0 HD3 LYS A 40 14.158 4.188 5.908 1.00 1.58 H new ATOM 0 HE2 LYS A 40 14.990 6.994 6.675 1.00 2.12 H new ATOM 0 HE3 LYS A 40 16.186 5.720 6.551 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 16.253 6.259 4.406 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 14.770 5.448 4.246 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 14.798 7.131 4.467 1.00 2.95 H new ATOM 328 N MET A 41 10.259 6.768 3.027 1.00 0.39 N ATOM 329 CA MET A 41 9.975 7.468 1.784 1.00 0.41 C ATOM 330 C MET A 41 8.615 8.151 1.866 1.00 0.42 C ATOM 331 O MET A 41 8.466 9.311 1.482 1.00 0.52 O ATOM 332 CB MET A 41 10.005 6.496 0.602 1.00 0.48 C ATOM 333 CG MET A 41 10.304 7.170 -0.726 1.00 0.69 C ATOM 334 SD MET A 41 11.973 7.849 -0.780 1.00 1.10 S ATOM 335 CE MET A 41 12.010 8.524 -2.439 1.00 1.55 C ATOM 0 H MET A 41 10.256 5.751 2.950 1.00 0.39 H new ATOM 0 HA MET A 41 10.743 8.226 1.630 1.00 0.41 H new ATOM 0 HB2 MET A 41 10.758 5.730 0.790 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.043 5.988 0.535 1.00 0.48 H new ATOM 0 HG2 MET A 41 10.180 6.449 -1.534 1.00 0.69 H new ATOM 0 HG3 MET A 41 9.582 7.969 -0.898 1.00 0.69 H new ATOM 0 HE1 MET A 41 12.828 8.070 -2.998 1.00 1.55 H new ATOM 0 HE2 MET A 41 11.066 8.310 -2.940 1.00 1.55 H new ATOM 0 HE3 MET A 41 12.159 9.603 -2.390 1.00 1.55 H new ATOM 345 N ALA A 42 7.629 7.427 2.385 1.00 0.40 N ATOM 346 CA ALA A 42 6.290 7.969 2.571 1.00 0.49 C ATOM 347 C ALA A 42 6.311 9.119 3.573 1.00 0.51 C ATOM 348 O ALA A 42 5.616 10.116 3.401 1.00 0.59 O ATOM 349 CB ALA A 42 5.340 6.876 3.036 1.00 0.58 C ATOM 0 H ALA A 42 7.734 6.458 2.685 1.00 0.40 H new ATOM 0 HA ALA A 42 5.937 8.355 1.615 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.343 7.294 3.171 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.303 6.084 2.288 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.693 6.466 3.982 1.00 0.58 H new ATOM 355 N GLU A 43 7.123 8.968 4.609 1.00 0.50 N ATOM 356 CA GLU A 43 7.273 9.982 5.645 1.00 0.60 C ATOM 357 C GLU A 43 7.766 11.298 5.050 1.00 0.62 C ATOM 358 O GLU A 43 7.224 12.364 5.342 1.00 0.73 O ATOM 359 CB GLU A 43 8.249 9.481 6.715 1.00 0.67 C ATOM 360 CG GLU A 43 8.547 10.483 7.815 1.00 0.97 C ATOM 361 CD GLU A 43 9.448 9.904 8.885 1.00 1.62 C ATOM 362 OE1 GLU A 43 10.674 9.831 8.664 1.00 2.16 O ATOM 363 OE2 GLU A 43 8.934 9.515 9.954 1.00 2.38 O ATOM 0 H GLU A 43 7.698 8.138 4.756 1.00 0.50 H new ATOM 0 HA GLU A 43 6.300 10.164 6.102 1.00 0.60 H new ATOM 0 HB2 GLU A 43 7.841 8.577 7.166 1.00 0.67 H new ATOM 0 HB3 GLU A 43 9.185 9.202 6.232 1.00 0.67 H new ATOM 0 HG2 GLU A 43 9.019 11.365 7.383 1.00 0.97 H new ATOM 0 HG3 GLU A 43 7.612 10.812 8.268 1.00 0.97 H new ATOM 370 N LYS A 44 8.780 11.209 4.200 1.00 0.58 N ATOM 371 CA LYS A 44 9.365 12.388 3.576 1.00 0.66 C ATOM 372 C LYS A 44 8.428 12.985 2.531 1.00 0.66 C ATOM 373 O LYS A 44 8.434 14.193 2.298 1.00 0.70 O ATOM 374 CB LYS A 44 10.712 12.045 2.935 1.00 0.76 C ATOM 375 CG LYS A 44 11.775 11.610 3.933 1.00 1.29 C ATOM 376 CD LYS A 44 12.084 12.713 4.934 1.00 1.69 C ATOM 377 CE LYS A 44 13.178 12.301 5.908 1.00 2.09 C ATOM 378 NZ LYS A 44 14.438 11.930 5.209 1.00 2.20 N ATOM 0 H LYS A 44 9.216 10.329 3.926 1.00 0.58 H new ATOM 0 HA LYS A 44 9.522 13.131 4.358 1.00 0.66 H new ATOM 0 HB2 LYS A 44 10.564 11.248 2.206 1.00 0.76 H new ATOM 0 HB3 LYS A 44 11.075 12.915 2.388 1.00 0.76 H new ATOM 0 HG2 LYS A 44 11.435 10.720 4.463 1.00 1.29 H new ATOM 0 HG3 LYS A 44 12.685 11.335 3.400 1.00 1.29 H new ATOM 0 HD2 LYS A 44 12.392 13.612 4.401 1.00 1.69 H new ATOM 0 HD3 LYS A 44 11.180 12.965 5.488 1.00 1.69 H new ATOM 0 HE2 LYS A 44 13.375 13.120 6.599 1.00 2.09 H new ATOM 0 HE3 LYS A 44 12.833 11.457 6.505 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 15.220 11.903 5.894 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 14.329 10.993 4.771 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 14.647 12.634 4.473 1.00 2.20 H new ATOM 392 N ALA A 45 7.622 12.137 1.903 1.00 0.67 N ATOM 393 CA ALA A 45 6.697 12.590 0.870 1.00 0.74 C ATOM 394 C ALA A 45 5.334 12.954 1.458 1.00 0.73 C ATOM 395 O ALA A 45 4.394 13.262 0.723 1.00 0.81 O ATOM 396 CB ALA A 45 6.545 11.525 -0.207 1.00 0.82 C ATOM 0 H ALA A 45 7.590 11.135 2.090 1.00 0.67 H new ATOM 0 HA ALA A 45 7.114 13.491 0.420 1.00 0.74 H new ATOM 0 HB1 ALA A 45 5.852 11.877 -0.971 1.00 0.82 H new ATOM 0 HB2 ALA A 45 7.516 11.326 -0.661 1.00 0.82 H new ATOM 0 HB3 ALA A 45 6.159 10.609 0.239 1.00 0.82 H new ATOM 402 N ASN A 46 5.243 12.916 2.789 1.00 0.69 N ATOM 403 CA ASN A 46 4.012 13.250 3.515 1.00 0.72 C ATOM 404 C ASN A 46 2.852 12.348 3.106 1.00 0.67 C ATOM 405 O ASN A 46 1.714 12.799 2.975 1.00 0.84 O ATOM 406 CB ASN A 46 3.632 14.723 3.317 1.00 0.87 C ATOM 407 CG ASN A 46 4.541 15.668 4.076 1.00 1.46 C ATOM 408 OD1 ASN A 46 5.101 15.311 5.113 1.00 2.13 O ATOM 409 ND2 ASN A 46 4.689 16.883 3.572 1.00 2.13 N ATOM 0 H ASN A 46 6.020 12.653 3.396 1.00 0.69 H new ATOM 0 HA ASN A 46 4.213 13.082 4.573 1.00 0.72 H new ATOM 0 HB2 ASN A 46 3.670 14.964 2.255 1.00 0.87 H new ATOM 0 HB3 ASN A 46 2.603 14.875 3.642 1.00 0.87 H new ATOM 0 HD21 ASN A 46 5.285 17.562 4.045 1.00 2.13 H new ATOM 0 HD22 ASN A 46 4.208 17.140 2.710 1.00 2.13 H new ATOM 416 N LEU A 47 3.148 11.075 2.912 1.00 0.51 N ATOM 417 CA LEU A 47 2.132 10.097 2.559 1.00 0.51 C ATOM 418 C LEU A 47 1.739 9.286 3.786 1.00 0.46 C ATOM 419 O LEU A 47 2.295 9.474 4.872 1.00 0.56 O ATOM 420 CB LEU A 47 2.649 9.150 1.472 1.00 0.58 C ATOM 421 CG LEU A 47 3.097 9.814 0.169 1.00 0.69 C ATOM 422 CD1 LEU A 47 3.667 8.774 -0.776 1.00 1.00 C ATOM 423 CD2 LEU A 47 1.939 10.548 -0.492 1.00 1.18 C ATOM 0 H LEU A 47 4.090 10.692 2.993 1.00 0.51 H new ATOM 0 HA LEU A 47 1.261 10.632 2.180 1.00 0.51 H new ATOM 0 HB2 LEU A 47 3.489 8.586 1.878 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.864 8.431 1.240 1.00 0.58 H new ATOM 0 HG LEU A 47 3.872 10.543 0.404 1.00 0.69 H new ATOM 0 HD11 LEU A 47 3.983 9.257 -1.701 1.00 1.00 H new ATOM 0 HD12 LEU A 47 4.524 8.289 -0.309 1.00 1.00 H new ATOM 0 HD13 LEU A 47 2.904 8.028 -0.999 1.00 1.00 H new ATOM 0 HD21 LEU A 47 2.283 11.012 -1.417 1.00 1.18 H new ATOM 0 HD22 LEU A 47 1.140 9.841 -0.716 1.00 1.18 H new ATOM 0 HD23 LEU A 47 1.564 11.318 0.182 1.00 1.18 H new ATOM 435 N TYR A 48 0.777 8.393 3.610 1.00 0.49 N ATOM 436 CA TYR A 48 0.357 7.493 4.672 1.00 0.54 C ATOM 437 C TYR A 48 0.352 6.067 4.144 1.00 0.46 C ATOM 438 O TYR A 48 -0.060 5.831 3.005 1.00 0.58 O ATOM 439 CB TYR A 48 -1.048 7.850 5.173 1.00 0.64 C ATOM 440 CG TYR A 48 -1.213 9.290 5.610 1.00 0.77 C ATOM 441 CD1 TYR A 48 -0.674 9.743 6.807 1.00 1.51 C ATOM 442 CD2 TYR A 48 -1.921 10.193 4.826 1.00 1.31 C ATOM 443 CE1 TYR A 48 -0.837 11.055 7.212 1.00 1.61 C ATOM 444 CE2 TYR A 48 -2.086 11.506 5.222 1.00 1.43 C ATOM 445 CZ TYR A 48 -1.544 11.932 6.414 1.00 1.09 C ATOM 446 OH TYR A 48 -1.717 13.238 6.814 1.00 1.28 O ATOM 0 H TYR A 48 0.269 8.272 2.734 1.00 0.49 H new ATOM 0 HA TYR A 48 1.055 7.588 5.504 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -1.767 7.640 4.381 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -1.297 7.199 6.011 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -0.118 9.059 7.432 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -2.349 9.863 3.891 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -0.414 11.392 8.147 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -2.637 12.195 4.600 1.00 1.43 H new ATOM 0 HH TYR A 48 -2.236 13.721 6.138 1.00 1.28 H new ATOM 456 N LEU A 49 0.811 5.123 4.950 1.00 0.46 N ATOM 457 CA LEU A 49 0.784 3.726 4.546 1.00 0.46 C ATOM 458 C LEU A 49 0.119 2.855 5.599 1.00 0.50 C ATOM 459 O LEU A 49 0.256 3.084 6.804 1.00 0.61 O ATOM 460 CB LEU A 49 2.185 3.201 4.171 1.00 0.66 C ATOM 461 CG LEU A 49 3.351 3.514 5.128 1.00 0.81 C ATOM 462 CD1 LEU A 49 3.203 2.803 6.465 1.00 1.76 C ATOM 463 CD2 LEU A 49 4.672 3.122 4.486 1.00 1.35 C ATOM 0 H LEU A 49 1.202 5.295 5.876 1.00 0.46 H new ATOM 0 HA LEU A 49 0.177 3.668 3.643 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.120 2.118 4.066 1.00 0.66 H new ATOM 0 HB3 LEU A 49 2.441 3.601 3.190 1.00 0.66 H new ATOM 0 HG LEU A 49 3.334 4.587 5.318 1.00 0.81 H new ATOM 0 HD11 LEU A 49 4.048 3.054 7.106 1.00 1.76 H new ATOM 0 HD12 LEU A 49 2.277 3.120 6.945 1.00 1.76 H new ATOM 0 HD13 LEU A 49 3.178 1.725 6.303 1.00 1.76 H new ATOM 0 HD21 LEU A 49 5.490 3.347 5.170 1.00 1.35 H new ATOM 0 HD22 LEU A 49 4.667 2.055 4.265 1.00 1.35 H new ATOM 0 HD23 LEU A 49 4.808 3.683 3.561 1.00 1.35 H new ATOM 475 N LEU A 50 -0.621 1.870 5.126 1.00 0.52 N ATOM 476 CA LEU A 50 -1.359 0.975 5.992 1.00 0.63 C ATOM 477 C LEU A 50 -1.012 -0.471 5.679 1.00 0.69 C ATOM 478 O LEU A 50 -0.848 -0.843 4.516 1.00 0.69 O ATOM 479 CB LEU A 50 -2.860 1.207 5.821 1.00 0.77 C ATOM 480 CG LEU A 50 -3.325 2.634 6.104 1.00 0.81 C ATOM 481 CD1 LEU A 50 -4.810 2.779 5.816 1.00 1.24 C ATOM 482 CD2 LEU A 50 -3.013 3.015 7.544 1.00 1.48 C ATOM 0 H LEU A 50 -0.726 1.669 4.132 1.00 0.52 H new ATOM 0 HA LEU A 50 -1.084 1.180 7.027 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -3.140 0.945 4.801 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -3.396 0.527 6.483 1.00 0.77 H new ATOM 0 HG LEU A 50 -2.785 3.313 5.444 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -5.123 3.802 6.024 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -5.002 2.546 4.769 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -5.372 2.092 6.449 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -3.350 4.035 7.732 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -3.527 2.333 8.221 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -1.938 2.951 7.712 1.00 1.48 H new ATOM 494 N THR A 51 -0.893 -1.279 6.715 1.00 0.85 N ATOM 495 CA THR A 51 -0.629 -2.693 6.543 1.00 1.00 C ATOM 496 C THR A 51 -1.956 -3.430 6.408 1.00 1.38 C ATOM 497 O THR A 51 -2.983 -2.973 6.923 1.00 2.04 O ATOM 498 CB THR A 51 0.199 -3.279 7.715 1.00 1.42 C ATOM 499 OG1 THR A 51 0.578 -4.633 7.424 1.00 1.86 O ATOM 500 CG2 THR A 51 -0.582 -3.242 9.022 1.00 2.07 C ATOM 0 H THR A 51 -0.975 -0.979 7.686 1.00 0.85 H new ATOM 0 HA THR A 51 -0.033 -2.824 5.640 1.00 1.00 H new ATOM 0 HB THR A 51 1.091 -2.663 7.830 1.00 1.42 H new ATOM 0 HG1 THR A 51 1.102 -4.993 8.170 1.00 1.86 H new ATOM 0 HG21 THR A 51 0.028 -3.660 9.822 1.00 2.07 H new ATOM 0 HG22 THR A 51 -0.839 -2.211 9.263 1.00 2.07 H new ATOM 0 HG23 THR A 51 -1.495 -3.829 8.917 1.00 2.07 H new ATOM 508 N LEU A 52 -1.952 -4.553 5.712 1.00 1.17 N ATOM 509 CA LEU A 52 -3.193 -5.243 5.421 1.00 1.66 C ATOM 510 C LEU A 52 -3.515 -6.239 6.522 1.00 1.10 C ATOM 511 O LEU A 52 -2.867 -7.276 6.668 1.00 1.25 O ATOM 512 CB LEU A 52 -3.111 -5.951 4.066 1.00 2.63 C ATOM 513 CG LEU A 52 -2.899 -5.030 2.861 1.00 2.95 C ATOM 514 CD1 LEU A 52 -2.708 -5.845 1.593 1.00 3.41 C ATOM 515 CD2 LEU A 52 -4.074 -4.077 2.705 1.00 3.43 C ATOM 0 H LEU A 52 -1.114 -5.001 5.342 1.00 1.17 H new ATOM 0 HA LEU A 52 -3.994 -4.506 5.375 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -2.295 -6.672 4.100 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -4.030 -6.517 3.913 1.00 2.63 H new ATOM 0 HG LEU A 52 -1.997 -4.443 3.034 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -2.559 -5.173 0.748 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -1.836 -6.489 1.703 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -3.592 -6.458 1.418 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -3.906 -3.430 1.844 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -4.989 -4.649 2.556 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -4.170 -3.467 3.603 1.00 3.43 H new ATOM 527 N GLU A 53 -4.521 -5.884 7.297 1.00 1.35 N ATOM 528 CA GLU A 53 -5.007 -6.691 8.403 1.00 1.60 C ATOM 529 C GLU A 53 -6.467 -6.327 8.622 1.00 1.84 C ATOM 530 O GLU A 53 -7.370 -7.099 8.305 1.00 2.34 O ATOM 531 CB GLU A 53 -4.185 -6.421 9.669 1.00 2.04 C ATOM 532 CG GLU A 53 -4.628 -7.225 10.881 1.00 2.24 C ATOM 533 CD GLU A 53 -3.889 -6.819 12.136 1.00 2.43 C ATOM 534 OE1 GLU A 53 -2.736 -7.266 12.325 1.00 2.97 O ATOM 535 OE2 GLU A 53 -4.454 -6.049 12.940 1.00 2.75 O ATOM 0 H GLU A 53 -5.034 -5.011 7.175 1.00 1.35 H new ATOM 0 HA GLU A 53 -4.909 -7.752 8.175 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -3.138 -6.642 9.463 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -4.246 -5.359 9.909 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -5.699 -7.091 11.032 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -4.463 -8.286 10.691 1.00 2.24 H new ATOM 542 N THR A 54 -6.682 -5.131 9.147 1.00 1.76 N ATOM 543 CA THR A 54 -7.991 -4.514 9.114 1.00 1.96 C ATOM 544 C THR A 54 -7.934 -3.329 8.161 1.00 1.44 C ATOM 545 O THR A 54 -7.378 -2.277 8.488 1.00 1.41 O ATOM 546 CB THR A 54 -8.412 -4.043 10.519 1.00 2.58 C ATOM 547 OG1 THR A 54 -7.338 -3.305 11.123 1.00 2.85 O ATOM 548 CG2 THR A 54 -8.784 -5.225 11.400 1.00 3.30 C ATOM 0 H THR A 54 -5.962 -4.570 9.602 1.00 1.76 H new ATOM 0 HA THR A 54 -8.729 -5.240 8.773 1.00 1.96 H new ATOM 0 HB THR A 54 -9.287 -3.401 10.420 1.00 2.58 H new ATOM 0 HG1 THR A 54 -6.943 -2.701 10.460 1.00 2.85 H new ATOM 0 HG21 THR A 54 -9.077 -4.866 12.386 1.00 3.30 H new ATOM 0 HG22 THR A 54 -9.615 -5.767 10.949 1.00 3.30 H new ATOM 0 HG23 THR A 54 -7.926 -5.891 11.497 1.00 3.30 H new ATOM 556 N ASP A 55 -8.490 -3.506 6.977 1.00 1.58 N ATOM 557 CA ASP A 55 -8.375 -2.502 5.929 1.00 1.57 C ATOM 558 C ASP A 55 -9.562 -1.544 5.928 1.00 1.40 C ATOM 559 O ASP A 55 -9.382 -0.341 5.763 1.00 1.25 O ATOM 560 CB ASP A 55 -8.208 -3.176 4.548 1.00 2.38 C ATOM 561 CG ASP A 55 -9.402 -4.016 4.152 1.00 3.04 C ATOM 562 OD1 ASP A 55 -10.187 -3.577 3.293 1.00 3.66 O ATOM 563 OD2 ASP A 55 -9.566 -5.125 4.708 1.00 3.51 O ATOM 0 H ASP A 55 -9.026 -4.333 6.714 1.00 1.58 H new ATOM 0 HA ASP A 55 -7.484 -1.910 6.136 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -8.045 -2.408 3.792 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -7.317 -3.804 4.562 1.00 2.38 H new ATOM 568 N ASP A 56 -10.764 -2.075 6.141 1.00 1.62 N ATOM 569 CA ASP A 56 -11.992 -1.284 6.032 1.00 1.72 C ATOM 570 C ASP A 56 -11.956 -0.047 6.917 1.00 1.47 C ATOM 571 O ASP A 56 -11.916 1.078 6.420 1.00 1.48 O ATOM 572 CB ASP A 56 -13.218 -2.128 6.391 1.00 2.15 C ATOM 573 CG ASP A 56 -13.610 -3.099 5.298 1.00 2.43 C ATOM 574 OD1 ASP A 56 -14.385 -2.709 4.398 1.00 2.98 O ATOM 575 OD2 ASP A 56 -13.166 -4.263 5.342 1.00 2.88 O ATOM 0 H ASP A 56 -10.916 -3.052 6.391 1.00 1.62 H new ATOM 0 HA ASP A 56 -12.063 -0.960 4.994 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -13.014 -2.683 7.306 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -14.059 -1.467 6.600 1.00 2.15 H new ATOM 580 N LYS A 57 -11.957 -0.262 8.224 1.00 1.39 N ATOM 581 CA LYS A 57 -12.014 0.831 9.187 1.00 1.42 C ATOM 582 C LYS A 57 -10.828 1.776 9.023 1.00 1.20 C ATOM 583 O LYS A 57 -10.986 2.996 9.043 1.00 1.27 O ATOM 584 CB LYS A 57 -12.035 0.272 10.614 1.00 1.57 C ATOM 585 CG LYS A 57 -12.119 1.326 11.716 1.00 1.98 C ATOM 586 CD LYS A 57 -13.482 2.008 11.766 1.00 2.71 C ATOM 587 CE LYS A 57 -13.529 3.271 10.917 1.00 3.40 C ATOM 588 NZ LYS A 57 -14.891 3.862 10.887 1.00 4.03 N ATOM 0 H LYS A 57 -11.919 -1.190 8.646 1.00 1.39 H new ATOM 0 HA LYS A 57 -12.928 1.395 9.001 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -12.885 -0.403 10.712 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -11.135 -0.324 10.769 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -11.915 0.858 12.679 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -11.346 2.077 11.556 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -14.247 1.312 11.420 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -13.723 2.259 12.799 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -12.824 4.002 11.313 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -13.211 3.038 9.901 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -14.884 4.720 10.300 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -15.559 3.173 10.486 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -15.185 4.107 11.854 1.00 4.03 H new ATOM 602 N LYS A 58 -9.649 1.205 8.840 1.00 1.07 N ATOM 603 CA LYS A 58 -8.423 1.985 8.802 1.00 1.04 C ATOM 604 C LYS A 58 -8.379 2.880 7.564 1.00 0.88 C ATOM 605 O LYS A 58 -8.027 4.059 7.648 1.00 0.87 O ATOM 606 CB LYS A 58 -7.211 1.054 8.834 1.00 1.18 C ATOM 607 CG LYS A 58 -5.905 1.768 9.137 1.00 1.64 C ATOM 608 CD LYS A 58 -5.937 2.426 10.505 1.00 2.25 C ATOM 609 CE LYS A 58 -4.639 3.147 10.808 1.00 2.61 C ATOM 610 NZ LYS A 58 -4.663 3.796 12.142 1.00 2.99 N ATOM 0 H LYS A 58 -9.515 0.202 8.715 1.00 1.07 H new ATOM 0 HA LYS A 58 -8.398 2.630 9.680 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -7.376 0.282 9.585 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -7.125 0.550 7.872 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -5.081 1.056 9.093 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -5.715 2.522 8.373 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -6.766 3.133 10.550 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -6.121 1.670 11.269 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -3.812 2.439 10.764 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -4.455 3.900 10.042 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -3.757 4.278 12.310 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -5.436 4.491 12.176 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -4.813 3.075 12.876 1.00 2.99 H new ATOM 624 N ILE A 59 -8.752 2.320 6.421 1.00 0.83 N ATOM 625 CA ILE A 59 -8.763 3.069 5.172 1.00 0.80 C ATOM 626 C ILE A 59 -9.906 4.081 5.160 1.00 0.74 C ATOM 627 O ILE A 59 -9.720 5.226 4.751 1.00 0.78 O ATOM 628 CB ILE A 59 -8.868 2.123 3.953 1.00 0.90 C ATOM 629 CG1 ILE A 59 -7.565 1.334 3.782 1.00 1.12 C ATOM 630 CG2 ILE A 59 -9.186 2.903 2.681 1.00 0.96 C ATOM 631 CD1 ILE A 59 -7.666 0.217 2.767 1.00 1.33 C ATOM 0 H ILE A 59 -9.051 1.349 6.333 1.00 0.83 H new ATOM 0 HA ILE A 59 -7.819 3.609 5.100 1.00 0.80 H new ATOM 0 HB ILE A 59 -9.684 1.423 4.134 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -6.772 2.018 3.480 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -7.274 0.914 4.745 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -9.254 2.214 1.839 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -10.136 3.424 2.802 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -8.395 3.629 2.492 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -6.708 -0.299 2.697 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -8.436 -0.489 3.078 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -7.926 0.632 1.793 1.00 1.33 H new ATOM 643 N GLU A 60 -11.078 3.665 5.635 1.00 0.77 N ATOM 644 CA GLU A 60 -12.238 4.552 5.711 1.00 0.87 C ATOM 645 C GLU A 60 -11.940 5.778 6.562 1.00 0.85 C ATOM 646 O GLU A 60 -12.423 6.870 6.281 1.00 0.94 O ATOM 647 CB GLU A 60 -13.447 3.811 6.282 1.00 1.04 C ATOM 648 CG GLU A 60 -14.225 3.021 5.245 1.00 1.32 C ATOM 649 CD GLU A 60 -15.094 3.907 4.374 1.00 1.47 C ATOM 650 OE1 GLU A 60 -16.327 3.923 4.576 1.00 1.96 O ATOM 651 OE2 GLU A 60 -14.557 4.595 3.485 1.00 2.01 O ATOM 0 H GLU A 60 -11.250 2.718 5.974 1.00 0.77 H new ATOM 0 HA GLU A 60 -12.466 4.881 4.697 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -13.109 3.132 7.065 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -14.115 4.532 6.752 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -13.528 2.469 4.615 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -14.852 2.285 5.748 1.00 1.32 H new ATOM 658 N ASP A 61 -11.150 5.595 7.607 1.00 0.82 N ATOM 659 CA ASP A 61 -10.788 6.697 8.487 1.00 0.88 C ATOM 660 C ASP A 61 -9.880 7.693 7.768 1.00 0.79 C ATOM 661 O ASP A 61 -10.204 8.879 7.655 1.00 0.83 O ATOM 662 CB ASP A 61 -10.102 6.166 9.749 1.00 0.99 C ATOM 663 CG ASP A 61 -9.640 7.274 10.674 1.00 1.55 C ATOM 664 OD1 ASP A 61 -8.463 7.677 10.584 1.00 2.27 O ATOM 665 OD2 ASP A 61 -10.449 7.739 11.505 1.00 2.05 O ATOM 0 H ASP A 61 -10.747 4.695 7.868 1.00 0.82 H new ATOM 0 HA ASP A 61 -11.702 7.217 8.776 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -10.792 5.514 10.286 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -9.245 5.556 9.463 1.00 0.99 H new ATOM 670 N ILE A 62 -8.760 7.202 7.258 1.00 0.72 N ATOM 671 CA ILE A 62 -7.763 8.065 6.641 1.00 0.69 C ATOM 672 C ILE A 62 -8.218 8.576 5.277 1.00 0.68 C ATOM 673 O ILE A 62 -8.354 9.782 5.083 1.00 0.73 O ATOM 674 CB ILE A 62 -6.405 7.343 6.499 1.00 0.73 C ATOM 675 CG1 ILE A 62 -5.881 6.945 7.881 1.00 0.81 C ATOM 676 CG2 ILE A 62 -5.395 8.227 5.775 1.00 0.77 C ATOM 677 CD1 ILE A 62 -4.537 6.256 7.846 1.00 0.93 C ATOM 0 H ILE A 62 -8.519 6.211 7.259 1.00 0.72 H new ATOM 0 HA ILE A 62 -7.641 8.921 7.304 1.00 0.69 H new ATOM 0 HB ILE A 62 -6.549 6.442 5.903 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -5.806 7.838 8.502 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -6.605 6.285 8.358 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -4.446 7.698 5.686 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -5.770 8.469 4.780 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -5.246 9.147 6.340 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -4.231 6.004 8.861 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -4.611 5.345 7.253 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -3.799 6.921 7.399 1.00 0.93 H new ATOM 689 N LEU A 63 -8.483 7.658 4.354 1.00 0.68 N ATOM 690 CA LEU A 63 -8.785 8.011 2.959 1.00 0.76 C ATOM 691 C LEU A 63 -9.926 9.026 2.877 1.00 0.84 C ATOM 692 O LEU A 63 -9.873 9.973 2.091 1.00 0.94 O ATOM 693 CB LEU A 63 -9.157 6.752 2.148 1.00 0.85 C ATOM 694 CG LEU A 63 -8.906 6.835 0.635 1.00 1.23 C ATOM 695 CD1 LEU A 63 -8.762 5.444 0.040 1.00 1.57 C ATOM 696 CD2 LEU A 63 -10.039 7.573 -0.060 1.00 1.89 C ATOM 0 H LEU A 63 -8.496 6.656 4.542 1.00 0.68 H new ATOM 0 HA LEU A 63 -7.888 8.461 2.535 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -8.594 5.907 2.545 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -10.213 6.536 2.311 1.00 0.85 H new ATOM 0 HG LEU A 63 -7.979 7.386 0.480 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -8.585 5.524 -1.033 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -7.922 4.933 0.510 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -9.676 4.877 0.216 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -9.840 7.620 -1.131 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -10.977 7.045 0.112 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -10.114 8.584 0.340 1.00 1.89 H new ATOM 708 N LYS A 64 -10.943 8.835 3.704 1.00 0.89 N ATOM 709 CA LYS A 64 -12.126 9.680 3.660 1.00 1.05 C ATOM 710 C LYS A 64 -11.816 11.097 4.139 1.00 1.03 C ATOM 711 O LYS A 64 -12.393 12.066 3.642 1.00 1.13 O ATOM 712 CB LYS A 64 -13.230 9.068 4.520 1.00 1.22 C ATOM 713 CG LYS A 64 -14.614 9.632 4.250 1.00 1.64 C ATOM 714 CD LYS A 64 -15.662 9.003 5.160 1.00 2.17 C ATOM 715 CE LYS A 64 -15.663 7.481 5.060 1.00 2.87 C ATOM 716 NZ LYS A 64 -15.891 7.007 3.669 1.00 3.41 N ATOM 0 H LYS A 64 -10.973 8.103 4.413 1.00 0.89 H new ATOM 0 HA LYS A 64 -12.461 9.742 2.625 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -13.250 7.991 4.353 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -12.985 9.224 5.571 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -14.603 10.712 4.398 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -14.883 9.456 3.208 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -15.471 9.299 6.192 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -16.648 9.385 4.896 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -14.710 7.095 5.421 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -16.438 7.077 5.711 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -16.851 6.615 3.589 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -15.786 7.804 3.009 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -15.196 6.270 3.435 1.00 3.41 H new ATOM 730 N SER A 65 -10.889 11.220 5.086 1.00 0.97 N ATOM 731 CA SER A 65 -10.604 12.514 5.695 1.00 1.06 C ATOM 732 C SER A 65 -9.799 13.434 4.771 1.00 1.03 C ATOM 733 O SER A 65 -9.664 14.625 5.054 1.00 1.13 O ATOM 734 CB SER A 65 -9.883 12.338 7.038 1.00 1.18 C ATOM 735 OG SER A 65 -8.688 11.587 6.899 1.00 1.65 O ATOM 0 H SER A 65 -10.328 10.447 5.445 1.00 0.97 H new ATOM 0 HA SER A 65 -11.565 12.997 5.870 1.00 1.06 H new ATOM 0 HB2 SER A 65 -9.651 13.317 7.457 1.00 1.18 H new ATOM 0 HB3 SER A 65 -10.546 11.839 7.744 1.00 1.18 H new ATOM 0 HG SER A 65 -8.635 11.221 5.991 1.00 1.65 H new ATOM 741 N LEU A 66 -9.259 12.905 3.672 1.00 0.97 N ATOM 742 CA LEU A 66 -8.529 13.762 2.737 1.00 1.05 C ATOM 743 C LEU A 66 -9.490 14.645 1.946 1.00 1.20 C ATOM 744 O LEU A 66 -9.257 15.845 1.799 1.00 1.55 O ATOM 745 CB LEU A 66 -7.663 12.954 1.754 1.00 1.00 C ATOM 746 CG LEU A 66 -6.396 12.291 2.328 1.00 1.09 C ATOM 747 CD1 LEU A 66 -5.746 13.161 3.393 1.00 1.72 C ATOM 748 CD2 LEU A 66 -6.688 10.905 2.876 1.00 1.38 C ATOM 0 H LEU A 66 -9.310 11.920 3.412 1.00 0.97 H new ATOM 0 HA LEU A 66 -7.868 14.383 3.342 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -8.285 12.174 1.315 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -7.362 13.617 0.943 1.00 1.00 H new ATOM 0 HG LEU A 66 -5.692 12.184 1.503 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -4.855 12.663 3.776 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -5.466 14.121 2.958 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -6.450 13.324 4.209 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -5.771 10.470 3.272 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -7.429 10.977 3.673 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -7.075 10.272 2.077 1.00 1.38 H new ATOM 760 N GLY A 67 -10.591 14.066 1.480 1.00 1.07 N ATOM 761 CA GLY A 67 -11.547 14.821 0.690 1.00 1.26 C ATOM 762 C GLY A 67 -11.547 14.401 -0.771 1.00 1.22 C ATOM 763 O GLY A 67 -12.391 13.599 -1.177 1.00 1.28 O ATOM 0 H GLY A 67 -10.839 13.089 1.635 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -12.546 14.685 1.105 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -11.315 15.884 0.760 1.00 1.26 H new ATOM 767 N PRO A 68 -10.614 14.933 -1.587 1.00 1.24 N ATOM 768 CA PRO A 68 -10.478 14.567 -3.007 1.00 1.29 C ATOM 769 C PRO A 68 -10.255 13.068 -3.203 1.00 1.15 C ATOM 770 O PRO A 68 -9.791 12.379 -2.290 1.00 0.99 O ATOM 771 CB PRO A 68 -9.231 15.339 -3.459 1.00 1.41 C ATOM 772 CG PRO A 68 -9.124 16.475 -2.508 1.00 1.56 C ATOM 773 CD PRO A 68 -9.622 15.951 -1.195 1.00 1.35 C ATOM 0 HA PRO A 68 -11.380 14.806 -3.571 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -8.342 14.709 -3.425 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -9.334 15.691 -4.486 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -8.094 16.822 -2.426 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -9.720 17.324 -2.843 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -8.815 15.519 -0.603 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -10.072 16.740 -0.592 1.00 1.35 H new ATOM 781 N PRO A 69 -10.586 12.547 -4.400 1.00 1.30 N ATOM 782 CA PRO A 69 -10.416 11.128 -4.726 1.00 1.26 C ATOM 783 C PRO A 69 -8.967 10.679 -4.581 1.00 1.05 C ATOM 784 O PRO A 69 -8.072 11.189 -5.255 1.00 1.17 O ATOM 785 CB PRO A 69 -10.870 11.023 -6.188 1.00 1.53 C ATOM 786 CG PRO A 69 -10.865 12.420 -6.707 1.00 1.89 C ATOM 787 CD PRO A 69 -11.149 13.304 -5.529 1.00 1.58 C ATOM 0 HA PRO A 69 -10.987 10.488 -4.053 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -10.197 10.388 -6.764 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -11.864 10.581 -6.260 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -9.902 12.666 -7.155 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -11.620 12.550 -7.482 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -10.677 14.281 -5.635 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -12.218 13.478 -5.404 1.00 1.58 H new ATOM 795 N VAL A 70 -8.747 9.735 -3.684 1.00 0.85 N ATOM 796 CA VAL A 70 -7.411 9.245 -3.395 1.00 0.67 C ATOM 797 C VAL A 70 -7.176 7.897 -4.072 1.00 0.60 C ATOM 798 O VAL A 70 -8.046 7.024 -4.051 1.00 0.66 O ATOM 799 CB VAL A 70 -7.199 9.115 -1.868 1.00 0.62 C ATOM 800 CG1 VAL A 70 -5.816 8.580 -1.544 1.00 0.99 C ATOM 801 CG2 VAL A 70 -7.421 10.458 -1.187 1.00 1.08 C ATOM 0 H VAL A 70 -9.484 9.289 -3.138 1.00 0.85 H new ATOM 0 HA VAL A 70 -6.692 9.964 -3.788 1.00 0.67 H new ATOM 0 HB VAL A 70 -7.930 8.401 -1.489 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -5.700 8.501 -0.463 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.692 7.595 -1.995 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -5.061 9.259 -1.941 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -7.268 10.351 -0.113 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -6.715 11.188 -1.583 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -8.439 10.798 -1.377 1.00 1.08 H new ATOM 811 N LYS A 71 -6.010 7.739 -4.679 1.00 0.55 N ATOM 812 CA LYS A 71 -5.659 6.488 -5.342 1.00 0.54 C ATOM 813 C LYS A 71 -4.850 5.628 -4.386 1.00 0.43 C ATOM 814 O LYS A 71 -4.053 6.147 -3.603 1.00 0.41 O ATOM 815 CB LYS A 71 -4.865 6.738 -6.639 1.00 0.65 C ATOM 816 CG LYS A 71 -4.414 5.458 -7.338 1.00 1.27 C ATOM 817 CD LYS A 71 -5.592 4.668 -7.900 1.00 1.74 C ATOM 818 CE LYS A 71 -5.980 5.123 -9.304 1.00 2.14 C ATOM 819 NZ LYS A 71 -6.266 6.581 -9.381 1.00 2.53 N ATOM 0 H LYS A 71 -5.290 8.460 -4.727 1.00 0.55 H new ATOM 0 HA LYS A 71 -6.578 5.971 -5.618 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -5.481 7.319 -7.326 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -3.989 7.343 -6.407 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -3.727 5.709 -8.146 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -3.863 4.835 -6.633 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -5.338 3.608 -7.922 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -6.449 4.777 -7.236 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -5.174 4.879 -9.996 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -6.859 4.568 -9.631 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -6.637 6.813 -10.324 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -6.971 6.835 -8.660 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -5.390 7.116 -9.213 1.00 2.53 H new ATOM 833 N ILE A 72 -5.065 4.325 -4.429 1.00 0.45 N ATOM 834 CA ILE A 72 -4.395 3.425 -3.509 1.00 0.43 C ATOM 835 C ILE A 72 -3.328 2.590 -4.214 1.00 0.41 C ATOM 836 O ILE A 72 -3.614 1.871 -5.176 1.00 0.50 O ATOM 837 CB ILE A 72 -5.402 2.483 -2.824 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.511 3.294 -2.147 1.00 0.68 C ATOM 839 CG2 ILE A 72 -4.690 1.604 -1.809 1.00 0.58 C ATOM 840 CD1 ILE A 72 -7.604 2.441 -1.540 1.00 1.00 C ATOM 0 H ILE A 72 -5.695 3.869 -5.088 1.00 0.45 H new ATOM 0 HA ILE A 72 -3.912 4.048 -2.756 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.855 1.843 -3.581 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -6.071 3.914 -1.366 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -6.954 3.969 -2.879 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -5.412 0.942 -1.331 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -3.930 1.008 -2.314 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -4.217 2.231 -1.053 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -8.354 3.084 -1.079 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -8.072 1.840 -2.320 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -7.175 1.784 -0.784 1.00 1.00 H new ATOM 852 N LEU A 73 -2.102 2.701 -3.726 1.00 0.37 N ATOM 853 CA LEU A 73 -1.000 1.879 -4.198 1.00 0.37 C ATOM 854 C LEU A 73 -0.719 0.782 -3.185 1.00 0.37 C ATOM 855 O LEU A 73 -0.510 1.061 -2.008 1.00 0.46 O ATOM 856 CB LEU A 73 0.259 2.726 -4.415 1.00 0.43 C ATOM 857 CG LEU A 73 1.548 1.927 -4.678 1.00 0.57 C ATOM 858 CD1 LEU A 73 1.581 1.389 -6.101 1.00 1.06 C ATOM 859 CD2 LEU A 73 2.785 2.769 -4.395 1.00 1.22 C ATOM 0 H LEU A 73 -1.844 3.362 -2.993 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.279 1.434 -5.153 1.00 0.37 H new ATOM 0 HB2 LEU A 73 0.087 3.395 -5.258 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.412 3.353 -3.537 1.00 0.43 H new ATOM 0 HG LEU A 73 1.552 1.078 -3.994 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.503 0.829 -6.257 1.00 1.06 H new ATOM 0 HD12 LEU A 73 0.726 0.732 -6.262 1.00 1.06 H new ATOM 0 HD13 LEU A 73 1.537 2.220 -6.805 1.00 1.06 H new ATOM 0 HD21 LEU A 73 3.680 2.178 -4.590 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.783 3.647 -5.040 1.00 1.22 H new ATOM 0 HD23 LEU A 73 2.779 3.085 -3.352 1.00 1.22 H new ATOM 871 N VAL A 74 -0.731 -0.459 -3.633 1.00 0.40 N ATOM 872 CA VAL A 74 -0.520 -1.579 -2.734 1.00 0.40 C ATOM 873 C VAL A 74 0.783 -2.298 -3.064 1.00 0.39 C ATOM 874 O VAL A 74 1.004 -2.717 -4.204 1.00 0.47 O ATOM 875 CB VAL A 74 -1.693 -2.581 -2.796 1.00 0.48 C ATOM 876 CG1 VAL A 74 -1.536 -3.683 -1.755 1.00 1.30 C ATOM 877 CG2 VAL A 74 -3.027 -1.866 -2.630 1.00 1.16 C ATOM 0 H VAL A 74 -0.884 -0.717 -4.608 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.462 -1.176 -1.723 1.00 0.40 H new ATOM 0 HB VAL A 74 -1.677 -3.049 -3.780 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -2.378 -4.372 -1.825 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -0.608 -4.225 -1.936 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.510 -3.241 -0.759 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -3.838 -2.593 -2.677 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -3.050 -1.359 -1.666 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -3.149 -1.134 -3.428 1.00 1.16 H new ATOM 887 N LEU A 75 1.637 -2.437 -2.061 1.00 0.38 N ATOM 888 CA LEU A 75 2.900 -3.141 -2.216 1.00 0.38 C ATOM 889 C LEU A 75 2.752 -4.554 -1.684 1.00 0.35 C ATOM 890 O LEU A 75 2.565 -4.765 -0.482 1.00 0.43 O ATOM 891 CB LEU A 75 4.041 -2.429 -1.467 1.00 0.48 C ATOM 892 CG LEU A 75 4.586 -1.133 -2.103 1.00 0.80 C ATOM 893 CD1 LEU A 75 3.513 -0.059 -2.225 1.00 1.67 C ATOM 894 CD2 LEU A 75 5.758 -0.610 -1.290 1.00 1.65 C ATOM 0 H LEU A 75 1.476 -2.068 -1.124 1.00 0.38 H new ATOM 0 HA LEU A 75 3.153 -3.158 -3.276 1.00 0.38 H new ATOM 0 HB2 LEU A 75 3.693 -2.194 -0.461 1.00 0.48 H new ATOM 0 HB3 LEU A 75 4.869 -3.130 -1.362 1.00 0.48 H new ATOM 0 HG LEU A 75 4.919 -1.377 -3.112 1.00 0.80 H new ATOM 0 HD11 LEU A 75 3.943 0.835 -2.678 1.00 1.67 H new ATOM 0 HD12 LEU A 75 2.699 -0.427 -2.850 1.00 1.67 H new ATOM 0 HD13 LEU A 75 3.128 0.185 -1.235 1.00 1.67 H new ATOM 0 HD21 LEU A 75 6.137 0.305 -1.745 1.00 1.65 H new ATOM 0 HD22 LEU A 75 5.430 -0.400 -0.272 1.00 1.65 H new ATOM 0 HD23 LEU A 75 6.549 -1.359 -1.269 1.00 1.65 H new ATOM 906 N LEU A 76 2.812 -5.514 -2.584 1.00 0.34 N ATOM 907 CA LEU A 76 2.607 -6.899 -2.223 1.00 0.42 C ATOM 908 C LEU A 76 3.913 -7.675 -2.316 1.00 0.41 C ATOM 909 O LEU A 76 4.471 -7.843 -3.401 1.00 0.48 O ATOM 910 CB LEU A 76 1.549 -7.519 -3.146 1.00 0.55 C ATOM 911 CG LEU A 76 1.159 -8.982 -2.864 1.00 1.09 C ATOM 912 CD1 LEU A 76 0.299 -9.098 -1.610 1.00 1.52 C ATOM 913 CD2 LEU A 76 0.428 -9.590 -4.057 1.00 1.76 C ATOM 0 H LEU A 76 3.002 -5.358 -3.574 1.00 0.34 H new ATOM 0 HA LEU A 76 2.256 -6.949 -1.192 1.00 0.42 H new ATOM 0 HB2 LEU A 76 0.647 -6.909 -3.089 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.912 -7.455 -4.172 1.00 0.55 H new ATOM 0 HG LEU A 76 2.082 -9.537 -2.697 1.00 1.09 H new ATOM 0 HD11 LEU A 76 0.042 -10.144 -1.441 1.00 1.52 H new ATOM 0 HD12 LEU A 76 0.853 -8.717 -0.752 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -0.614 -8.516 -1.740 1.00 1.52 H new ATOM 0 HD21 LEU A 76 0.163 -10.623 -3.833 1.00 1.76 H new ATOM 0 HD22 LEU A 76 -0.478 -9.019 -4.258 1.00 1.76 H new ATOM 0 HD23 LEU A 76 1.076 -9.563 -4.933 1.00 1.76 H new ATOM 925 N GLU A 77 4.412 -8.116 -1.172 1.00 0.46 N ATOM 926 CA GLU A 77 5.586 -8.978 -1.138 1.00 0.49 C ATOM 927 C GLU A 77 5.193 -10.352 -1.661 1.00 0.49 C ATOM 928 O GLU A 77 4.034 -10.755 -1.539 1.00 0.59 O ATOM 929 CB GLU A 77 6.116 -9.121 0.295 1.00 0.61 C ATOM 930 CG GLU A 77 7.468 -9.809 0.386 1.00 0.63 C ATOM 931 CD GLU A 77 7.761 -10.360 1.770 1.00 1.04 C ATOM 932 OE1 GLU A 77 7.820 -11.603 1.913 1.00 1.71 O ATOM 933 OE2 GLU A 77 7.943 -9.566 2.716 1.00 1.74 O ATOM 0 H GLU A 77 4.024 -7.893 -0.255 1.00 0.46 H new ATOM 0 HA GLU A 77 6.369 -8.538 -1.755 1.00 0.49 H new ATOM 0 HB2 GLU A 77 6.192 -8.131 0.744 1.00 0.61 H new ATOM 0 HB3 GLU A 77 5.393 -9.684 0.885 1.00 0.61 H new ATOM 0 HG2 GLU A 77 7.505 -10.623 -0.338 1.00 0.63 H new ATOM 0 HG3 GLU A 77 8.249 -9.101 0.110 1.00 0.63 H new ATOM 940 N ASP A 78 6.130 -11.077 -2.251 1.00 0.54 N ATOM 941 CA ASP A 78 5.822 -12.429 -2.679 1.00 0.61 C ATOM 942 C ASP A 78 5.973 -13.378 -1.504 1.00 0.63 C ATOM 943 O ASP A 78 7.016 -14.007 -1.315 1.00 0.72 O ATOM 944 CB ASP A 78 6.719 -12.871 -3.838 1.00 0.77 C ATOM 945 CG ASP A 78 6.392 -12.158 -5.134 1.00 1.06 C ATOM 946 OD1 ASP A 78 7.243 -11.379 -5.620 1.00 1.59 O ATOM 947 OD2 ASP A 78 5.286 -12.378 -5.677 1.00 1.85 O ATOM 0 H ASP A 78 7.082 -10.763 -2.440 1.00 0.54 H new ATOM 0 HA ASP A 78 4.793 -12.449 -3.037 1.00 0.61 H new ATOM 0 HB2 ASP A 78 7.761 -12.684 -3.578 1.00 0.77 H new ATOM 0 HB3 ASP A 78 6.615 -13.946 -3.983 1.00 0.77 H new ATOM 952 N THR A 79 4.919 -13.460 -0.715 1.00 0.61 N ATOM 953 CA THR A 79 4.863 -14.357 0.421 1.00 0.72 C ATOM 954 C THR A 79 3.806 -15.428 0.176 1.00 0.78 C ATOM 955 O THR A 79 2.828 -15.183 -0.535 1.00 0.84 O ATOM 956 CB THR A 79 4.513 -13.578 1.704 1.00 0.77 C ATOM 957 OG1 THR A 79 5.185 -12.311 1.710 1.00 1.04 O ATOM 958 CG2 THR A 79 4.898 -14.362 2.949 1.00 1.20 C ATOM 0 H THR A 79 4.074 -12.903 -0.845 1.00 0.61 H new ATOM 0 HA THR A 79 5.840 -14.825 0.546 1.00 0.72 H new ATOM 0 HB THR A 79 3.434 -13.422 1.715 1.00 0.77 H new ATOM 0 HG1 THR A 79 6.152 -12.454 1.787 1.00 1.04 H new ATOM 0 HG21 THR A 79 4.638 -13.785 3.837 1.00 1.20 H new ATOM 0 HG22 THR A 79 4.361 -15.310 2.962 1.00 1.20 H new ATOM 0 HG23 THR A 79 5.971 -14.553 2.941 1.00 1.20 H new ATOM 966 N LYS A 80 3.991 -16.603 0.765 1.00 0.84 N ATOM 967 CA LYS A 80 2.994 -17.666 0.678 1.00 0.92 C ATOM 968 C LYS A 80 1.666 -17.201 1.277 1.00 0.88 C ATOM 969 O LYS A 80 0.593 -17.622 0.848 1.00 0.90 O ATOM 970 CB LYS A 80 3.487 -18.926 1.400 1.00 1.09 C ATOM 971 CG LYS A 80 3.768 -18.718 2.881 1.00 1.65 C ATOM 972 CD LYS A 80 4.244 -19.995 3.549 1.00 2.05 C ATOM 973 CE LYS A 80 4.541 -19.769 5.021 1.00 3.00 C ATOM 974 NZ LYS A 80 5.046 -20.999 5.681 1.00 3.57 N ATOM 0 H LYS A 80 4.820 -16.845 1.307 1.00 0.84 H new ATOM 0 HA LYS A 80 2.839 -17.906 -0.374 1.00 0.92 H new ATOM 0 HB2 LYS A 80 2.740 -19.712 1.289 1.00 1.09 H new ATOM 0 HB3 LYS A 80 4.396 -19.279 0.914 1.00 1.09 H new ATOM 0 HG2 LYS A 80 4.523 -17.941 3.002 1.00 1.65 H new ATOM 0 HG3 LYS A 80 2.864 -18.364 3.376 1.00 1.65 H new ATOM 0 HD2 LYS A 80 3.483 -20.769 3.444 1.00 2.05 H new ATOM 0 HD3 LYS A 80 5.140 -20.359 3.046 1.00 2.05 H new ATOM 0 HE2 LYS A 80 5.279 -18.973 5.124 1.00 3.00 H new ATOM 0 HE3 LYS A 80 3.636 -19.432 5.526 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 5.236 -20.802 6.684 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 4.332 -21.752 5.606 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 5.924 -21.307 5.216 1.00 3.57 H new ATOM 988 N ASP A 81 1.754 -16.322 2.269 1.00 0.90 N ATOM 989 CA ASP A 81 0.571 -15.779 2.926 1.00 0.93 C ATOM 990 C ASP A 81 0.029 -14.591 2.147 1.00 0.83 C ATOM 991 O ASP A 81 -1.181 -14.396 2.055 1.00 0.82 O ATOM 992 CB ASP A 81 0.904 -15.336 4.354 1.00 1.08 C ATOM 993 CG ASP A 81 1.550 -16.431 5.173 1.00 1.46 C ATOM 994 OD1 ASP A 81 0.818 -17.217 5.814 1.00 2.24 O ATOM 995 OD2 ASP A 81 2.793 -16.513 5.179 1.00 2.00 O ATOM 0 H ASP A 81 2.637 -15.969 2.637 1.00 0.90 H new ATOM 0 HA ASP A 81 -0.185 -16.564 2.960 1.00 0.93 H new ATOM 0 HB2 ASP A 81 1.572 -14.475 4.316 1.00 1.08 H new ATOM 0 HB3 ASP A 81 -0.010 -15.009 4.850 1.00 1.08 H new ATOM 1000 N ALA A 82 0.937 -13.814 1.566 1.00 0.82 N ATOM 1001 CA ALA A 82 0.576 -12.578 0.878 1.00 0.82 C ATOM 1002 C ALA A 82 -0.290 -12.849 -0.344 1.00 0.82 C ATOM 1003 O ALA A 82 -1.155 -12.047 -0.694 1.00 0.84 O ATOM 1004 CB ALA A 82 1.824 -11.812 0.476 1.00 0.97 C ATOM 0 H ALA A 82 1.936 -14.020 1.558 1.00 0.82 H new ATOM 0 HA ALA A 82 -0.006 -11.972 1.572 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.538 -10.893 -0.036 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.403 -11.566 1.366 1.00 0.97 H new ATOM 0 HB3 ALA A 82 2.429 -12.426 -0.192 1.00 0.97 H new ATOM 1010 N ASP A 83 -0.076 -13.998 -0.972 1.00 0.91 N ATOM 1011 CA ASP A 83 -0.841 -14.373 -2.155 1.00 1.03 C ATOM 1012 C ASP A 83 -2.283 -14.628 -1.756 1.00 0.98 C ATOM 1013 O ASP A 83 -3.221 -14.360 -2.509 1.00 1.03 O ATOM 1014 CB ASP A 83 -0.235 -15.616 -2.812 1.00 1.27 C ATOM 1015 CG ASP A 83 -1.097 -16.169 -3.930 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -1.041 -15.631 -5.057 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -1.832 -17.148 -3.691 1.00 2.33 O ATOM 0 H ASP A 83 0.620 -14.686 -0.683 1.00 0.91 H new ATOM 0 HA ASP A 83 -0.808 -13.560 -2.881 1.00 1.03 H new ATOM 0 HB2 ASP A 83 0.750 -15.369 -3.207 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -0.090 -16.387 -2.055 1.00 1.27 H new ATOM 1022 N LYS A 84 -2.442 -15.113 -0.538 1.00 0.96 N ATOM 1023 CA LYS A 84 -3.749 -15.377 0.020 1.00 1.04 C ATOM 1024 C LYS A 84 -4.428 -14.073 0.422 1.00 0.94 C ATOM 1025 O LYS A 84 -5.648 -13.945 0.320 1.00 1.04 O ATOM 1026 CB LYS A 84 -3.619 -16.308 1.221 1.00 1.17 C ATOM 1027 CG LYS A 84 -3.051 -17.673 0.868 1.00 1.67 C ATOM 1028 CD LYS A 84 -3.005 -18.587 2.080 1.00 2.01 C ATOM 1029 CE LYS A 84 -2.424 -19.950 1.732 1.00 2.47 C ATOM 1030 NZ LYS A 84 -1.011 -19.856 1.281 1.00 3.21 N ATOM 0 H LYS A 84 -1.668 -15.334 0.089 1.00 0.96 H new ATOM 0 HA LYS A 84 -4.367 -15.863 -0.735 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -2.979 -15.838 1.968 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -4.600 -16.438 1.678 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -3.660 -18.131 0.088 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -2.047 -17.556 0.461 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -2.404 -18.124 2.863 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -4.011 -18.711 2.481 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -2.483 -20.602 2.603 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -3.025 -20.410 0.948 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -0.944 -20.148 0.285 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -0.680 -18.875 1.377 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -0.418 -20.480 1.865 1.00 3.21 H new ATOM 1044 N VAL A 85 -3.634 -13.102 0.868 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.170 -11.793 1.224 1.00 0.77 C ATOM 1046 C VAL A 85 -4.642 -11.070 -0.035 1.00 0.68 C ATOM 1047 O VAL A 85 -5.697 -10.439 -0.031 1.00 0.75 O ATOM 1048 CB VAL A 85 -3.136 -10.900 1.975 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -3.820 -9.692 2.595 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -2.361 -11.679 3.041 1.00 1.16 C ATOM 0 H VAL A 85 -2.626 -13.196 0.990 1.00 0.80 H new ATOM 0 HA VAL A 85 -5.005 -11.965 1.903 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.413 -10.558 1.234 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -3.081 -9.082 3.114 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -4.293 -9.100 1.812 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -4.577 -10.027 3.304 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -1.654 -11.013 3.536 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -3.058 -12.080 3.777 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -1.819 -12.499 2.570 1.00 1.16 H new ATOM 1060 N LYS A 86 -3.883 -11.197 -1.126 1.00 0.60 N ATOM 1061 CA LYS A 86 -4.250 -10.554 -2.383 1.00 0.59 C ATOM 1062 C LYS A 86 -5.599 -11.068 -2.859 1.00 0.69 C ATOM 1063 O LYS A 86 -6.456 -10.292 -3.276 1.00 0.78 O ATOM 1064 CB LYS A 86 -3.195 -10.806 -3.464 1.00 0.62 C ATOM 1065 CG LYS A 86 -3.590 -10.251 -4.827 1.00 0.79 C ATOM 1066 CD LYS A 86 -2.579 -10.616 -5.900 1.00 1.07 C ATOM 1067 CE LYS A 86 -3.057 -10.208 -7.287 1.00 1.57 C ATOM 1068 NZ LYS A 86 -3.253 -8.739 -7.412 1.00 2.30 N ATOM 0 H LYS A 86 -3.018 -11.736 -1.162 1.00 0.60 H new ATOM 0 HA LYS A 86 -4.310 -9.481 -2.204 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -2.252 -10.356 -3.155 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -3.022 -11.879 -3.551 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -4.571 -10.636 -5.106 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -3.679 -9.166 -4.766 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -1.628 -10.128 -5.685 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -2.398 -11.691 -5.879 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -2.331 -10.539 -8.030 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -3.995 -10.717 -7.509 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -3.260 -8.474 -8.418 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -4.159 -8.471 -6.977 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -2.477 -8.243 -6.929 1.00 2.30 H new ATOM 1082 N LYS A 87 -5.774 -12.381 -2.772 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.000 -13.040 -3.187 1.00 0.89 C ATOM 1084 C LYS A 87 -8.220 -12.397 -2.525 1.00 0.88 C ATOM 1085 O LYS A 87 -9.232 -12.135 -3.183 1.00 0.93 O ATOM 1086 CB LYS A 87 -6.907 -14.520 -2.816 1.00 1.06 C ATOM 1087 CG LYS A 87 -7.961 -15.392 -3.462 1.00 1.85 C ATOM 1088 CD LYS A 87 -7.777 -16.846 -3.066 1.00 2.29 C ATOM 1089 CE LYS A 87 -8.718 -17.750 -3.837 1.00 3.21 C ATOM 1090 NZ LYS A 87 -8.568 -19.177 -3.447 1.00 3.93 N ATOM 0 H LYS A 87 -5.065 -13.019 -2.410 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.120 -12.934 -4.265 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -5.922 -14.892 -3.098 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -6.986 -14.617 -1.733 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -8.953 -15.052 -3.164 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -7.904 -15.296 -4.546 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -6.746 -17.148 -3.251 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -7.955 -16.959 -1.997 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -9.747 -17.434 -3.664 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -8.527 -17.645 -4.905 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -9.230 -19.759 -3.999 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -7.594 -19.488 -3.636 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -8.775 -19.283 -2.433 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.103 -12.122 -1.230 1.00 0.90 N ATOM 1105 CA GLU A 88 -9.198 -11.537 -0.468 1.00 0.98 C ATOM 1106 C GLU A 88 -9.341 -10.050 -0.773 1.00 0.96 C ATOM 1107 O GLU A 88 -10.451 -9.562 -1.003 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.979 -11.737 1.033 1.00 1.06 C ATOM 1109 CG GLU A 88 -8.774 -13.188 1.435 1.00 1.16 C ATOM 1110 CD GLU A 88 -9.865 -14.099 0.918 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -10.955 -14.148 1.530 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -9.638 -14.782 -0.100 1.00 2.58 O ATOM 0 H GLU A 88 -7.258 -12.296 -0.686 1.00 0.90 H new ATOM 0 HA GLU A 88 -10.116 -12.045 -0.764 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -8.110 -11.157 1.344 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -9.838 -11.338 1.572 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -7.811 -13.532 1.058 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -8.734 -13.257 2.522 1.00 1.16 H new ATOM 1119 N ILE A 89 -8.217 -9.334 -0.781 1.00 0.91 N ATOM 1120 CA ILE A 89 -8.231 -7.894 -1.015 1.00 0.93 C ATOM 1121 C ILE A 89 -8.840 -7.568 -2.374 1.00 0.87 C ATOM 1122 O ILE A 89 -9.687 -6.685 -2.470 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.820 -7.267 -0.928 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -6.199 -7.512 0.452 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -6.883 -5.772 -1.221 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -6.992 -6.925 1.602 1.00 1.17 C ATOM 0 H ILE A 89 -7.289 -9.728 -0.628 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.844 -7.463 -0.224 1.00 0.93 H new ATOM 0 HB ILE A 89 -6.189 -7.745 -1.678 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -6.097 -8.586 0.607 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -5.194 -7.091 0.466 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -5.882 -5.346 -1.156 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -7.280 -5.614 -2.224 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -7.532 -5.286 -0.493 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -6.485 -7.143 2.542 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -7.073 -5.845 1.475 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -7.990 -7.364 1.618 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.424 -8.298 -3.409 1.00 0.81 N ATOM 1139 CA GLU A 90 -8.956 -8.102 -4.759 1.00 0.79 C ATOM 1140 C GLU A 90 -10.482 -8.085 -4.750 1.00 0.79 C ATOM 1141 O GLU A 90 -11.114 -7.201 -5.335 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.474 -9.216 -5.694 1.00 0.83 C ATOM 1143 CG GLU A 90 -7.008 -9.121 -6.084 1.00 1.35 C ATOM 1144 CD GLU A 90 -6.715 -7.949 -6.997 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -7.622 -7.529 -7.748 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -5.567 -7.459 -6.991 1.00 2.08 O ATOM 0 H GLU A 90 -7.719 -9.032 -3.339 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.591 -7.140 -5.119 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -8.647 -10.178 -5.212 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -9.080 -9.200 -6.600 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -6.402 -9.032 -5.182 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -6.709 -10.045 -6.579 1.00 1.35 H new ATOM 1153 N LYS A 91 -11.066 -9.058 -4.062 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.513 -9.207 -4.040 1.00 0.93 C ATOM 1155 C LYS A 91 -13.168 -8.128 -3.187 1.00 0.96 C ATOM 1156 O LYS A 91 -14.131 -7.496 -3.606 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.904 -10.586 -3.505 1.00 1.11 C ATOM 1158 CG LYS A 91 -12.188 -11.742 -4.188 1.00 1.66 C ATOM 1159 CD LYS A 91 -12.299 -11.666 -5.701 1.00 1.93 C ATOM 1160 CE LYS A 91 -11.669 -12.880 -6.360 1.00 2.60 C ATOM 1161 NZ LYS A 91 -10.258 -13.080 -5.932 1.00 3.12 N ATOM 0 H LYS A 91 -10.560 -9.753 -3.514 1.00 0.85 H new ATOM 0 HA LYS A 91 -12.867 -9.103 -5.066 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -12.693 -10.623 -2.436 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -13.980 -10.718 -3.623 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -11.136 -11.737 -3.901 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -12.609 -12.685 -3.841 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -13.348 -11.597 -5.988 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -11.810 -10.760 -6.059 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -12.251 -13.768 -6.115 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -11.706 -12.764 -7.443 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -9.805 -13.785 -6.548 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -9.743 -12.179 -6.000 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -10.238 -13.416 -4.948 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.635 -7.909 -1.997 1.00 1.03 N ATOM 1176 CA LYS A 92 -13.271 -7.010 -1.042 1.00 1.17 C ATOM 1177 C LYS A 92 -13.069 -5.543 -1.432 1.00 1.08 C ATOM 1178 O LYS A 92 -13.902 -4.695 -1.115 1.00 1.15 O ATOM 1179 CB LYS A 92 -12.735 -7.275 0.378 1.00 1.37 C ATOM 1180 CG LYS A 92 -11.382 -6.645 0.659 1.00 1.59 C ATOM 1181 CD LYS A 92 -10.822 -7.104 1.996 1.00 1.81 C ATOM 1182 CE LYS A 92 -11.787 -6.821 3.139 1.00 2.18 C ATOM 1183 NZ LYS A 92 -12.111 -5.376 3.242 1.00 2.41 N ATOM 0 H LYS A 92 -11.769 -8.337 -1.668 1.00 1.03 H new ATOM 0 HA LYS A 92 -14.343 -7.208 -1.056 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -13.457 -6.898 1.103 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -12.661 -8.352 0.532 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -10.685 -6.906 -0.138 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -11.477 -5.559 0.656 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -10.611 -8.173 1.954 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -9.875 -6.599 2.186 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -12.705 -7.389 2.989 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -11.350 -7.163 4.077 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -12.280 -5.128 4.238 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -11.316 -4.815 2.876 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -12.965 -5.171 2.685 1.00 2.41 H new ATOM 1197 N ALA A 93 -11.980 -5.250 -2.135 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.687 -3.882 -2.549 1.00 0.99 C ATOM 1199 C ALA A 93 -12.718 -3.386 -3.552 1.00 0.90 C ATOM 1200 O ALA A 93 -13.150 -2.234 -3.495 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.289 -3.780 -3.138 1.00 1.01 C ATOM 0 H ALA A 93 -11.288 -5.939 -2.429 1.00 0.98 H new ATOM 0 HA ALA A 93 -11.735 -3.249 -1.663 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -10.095 -2.750 -3.439 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.556 -4.084 -2.390 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.212 -4.433 -4.008 1.00 1.01 H new ATOM 1207 N ARG A 94 -13.126 -4.262 -4.462 1.00 0.82 N ATOM 1208 CA ARG A 94 -14.113 -3.891 -5.467 1.00 0.85 C ATOM 1209 C ARG A 94 -15.511 -3.840 -4.852 1.00 0.86 C ATOM 1210 O ARG A 94 -16.386 -3.130 -5.343 1.00 0.92 O ATOM 1211 CB ARG A 94 -14.078 -4.862 -6.662 1.00 0.93 C ATOM 1212 CG ARG A 94 -14.433 -6.295 -6.313 1.00 1.31 C ATOM 1213 CD ARG A 94 -14.352 -7.194 -7.532 1.00 1.63 C ATOM 1214 NE ARG A 94 -14.759 -8.564 -7.234 1.00 2.21 N ATOM 1215 CZ ARG A 94 -14.621 -9.582 -8.082 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -14.061 -9.390 -9.270 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -15.041 -10.794 -7.740 1.00 3.67 N ATOM 0 H ARG A 94 -12.793 -5.224 -4.525 1.00 0.82 H new ATOM 0 HA ARG A 94 -13.863 -2.897 -5.836 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -14.769 -4.505 -7.426 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -13.080 -4.844 -7.101 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -13.756 -6.662 -5.542 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -15.440 -6.332 -5.897 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -14.987 -6.791 -8.321 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -13.331 -7.195 -7.914 1.00 1.63 H new ATOM 0 HE ARG A 94 -15.174 -8.753 -6.322 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -13.735 -8.461 -9.536 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -13.957 -10.172 -9.917 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -15.470 -10.946 -6.827 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -14.935 -11.573 -8.390 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.707 -4.572 -3.758 1.00 0.90 N ATOM 1232 CA LYS A 95 -16.986 -4.563 -3.050 1.00 1.02 C ATOM 1233 C LYS A 95 -17.173 -3.250 -2.297 1.00 1.02 C ATOM 1234 O LYS A 95 -18.292 -2.872 -1.950 1.00 1.15 O ATOM 1235 CB LYS A 95 -17.078 -5.740 -2.075 1.00 1.23 C ATOM 1236 CG LYS A 95 -17.072 -7.100 -2.756 1.00 1.55 C ATOM 1237 CD LYS A 95 -17.198 -8.234 -1.749 1.00 2.10 C ATOM 1238 CE LYS A 95 -18.543 -8.214 -1.035 1.00 2.52 C ATOM 1239 NZ LYS A 95 -19.678 -8.408 -1.976 1.00 3.34 N ATOM 0 H LYS A 95 -14.999 -5.178 -3.343 1.00 0.90 H new ATOM 0 HA LYS A 95 -17.779 -4.662 -3.791 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -16.242 -5.689 -1.378 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -17.990 -5.642 -1.486 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -17.895 -7.154 -3.469 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -16.149 -7.219 -3.324 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -17.073 -9.189 -2.260 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -16.396 -8.158 -1.015 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -18.563 -8.997 -0.277 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -18.663 -7.264 -0.514 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -20.545 -8.607 -1.438 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -19.812 -7.545 -2.541 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -19.472 -9.207 -2.609 1.00 3.34 H new ATOM 1253 N LYS A 96 -16.067 -2.566 -2.048 1.00 0.97 N ATOM 1254 CA LYS A 96 -16.107 -1.248 -1.417 1.00 1.03 C ATOM 1255 C LYS A 96 -15.839 -0.175 -2.480 1.00 0.96 C ATOM 1256 O LYS A 96 -15.795 1.025 -2.202 1.00 1.07 O ATOM 1257 CB LYS A 96 -15.091 -1.176 -0.252 1.00 1.15 C ATOM 1258 CG LYS A 96 -14.956 0.193 0.400 1.00 1.29 C ATOM 1259 CD LYS A 96 -16.248 0.641 1.062 1.00 1.68 C ATOM 1260 CE LYS A 96 -16.077 1.998 1.723 1.00 1.78 C ATOM 1261 NZ LYS A 96 -17.322 2.459 2.386 1.00 2.17 N ATOM 0 H LYS A 96 -15.129 -2.898 -2.272 1.00 0.97 H new ATOM 0 HA LYS A 96 -17.094 -1.069 -0.990 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -15.384 -1.898 0.511 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -14.113 -1.483 -0.623 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -14.160 0.163 1.144 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -14.662 0.925 -0.352 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -17.043 0.692 0.319 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -16.554 -0.094 1.806 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -15.274 1.943 2.458 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -15.774 2.730 0.974 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -17.080 3.031 3.220 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -17.877 3.035 1.721 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -17.883 1.635 2.682 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.697 -0.651 -3.718 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.439 0.189 -4.886 1.00 0.86 C ATOM 1277 C ASN A 97 -14.231 1.093 -4.657 1.00 0.87 C ATOM 1278 O ASN A 97 -14.288 2.304 -4.868 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.682 1.015 -5.248 1.00 0.97 C ATOM 1280 CG ASN A 97 -16.562 1.693 -6.602 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -15.859 1.211 -7.496 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -17.256 2.806 -6.767 1.00 2.33 N ATOM 0 H ASN A 97 -15.759 -1.645 -3.939 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.210 -0.466 -5.727 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -17.557 0.365 -5.248 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.846 1.772 -4.481 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -17.223 3.300 -7.659 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -17.825 3.171 -6.003 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.135 0.495 -4.220 1.00 0.78 N ATOM 1290 CA LEU A 98 -11.903 1.235 -3.995 1.00 0.84 C ATOM 1291 C LEU A 98 -10.905 0.940 -5.105 1.00 0.71 C ATOM 1292 O LEU A 98 -10.569 -0.222 -5.348 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.286 0.877 -2.638 1.00 1.00 C ATOM 1294 CG LEU A 98 -12.035 1.401 -1.406 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -11.299 1.008 -0.134 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -12.210 2.914 -1.473 1.00 2.08 C ATOM 0 H LEU A 98 -13.073 -0.502 -4.014 1.00 0.78 H new ATOM 0 HA LEU A 98 -12.143 2.298 -3.996 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -11.220 -0.209 -2.565 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -10.266 1.261 -2.611 1.00 1.00 H new ATOM 0 HG LEU A 98 -13.026 0.947 -1.393 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -11.842 1.386 0.732 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -11.231 -0.078 -0.074 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -10.296 1.434 -0.148 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -12.744 3.258 -0.587 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -11.231 3.392 -1.515 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -12.780 3.175 -2.365 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.436 1.977 -5.818 1.00 0.83 N ATOM 1309 CA PRO A 99 -9.405 1.797 -6.831 1.00 0.85 C ATOM 1310 C PRO A 99 -8.062 1.469 -6.195 1.00 0.70 C ATOM 1311 O PRO A 99 -7.488 2.280 -5.464 1.00 0.77 O ATOM 1312 CB PRO A 99 -9.338 3.142 -7.564 1.00 1.15 C ATOM 1313 CG PRO A 99 -10.049 4.135 -6.698 1.00 1.25 C ATOM 1314 CD PRO A 99 -10.880 3.375 -5.692 1.00 1.10 C ATOM 0 HA PRO A 99 -9.635 0.969 -7.501 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -8.303 3.442 -7.729 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -9.811 3.074 -8.544 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -9.331 4.778 -6.189 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -10.683 4.782 -7.304 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -10.720 3.751 -4.682 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -11.945 3.473 -5.904 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.560 0.281 -6.487 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.314 -0.190 -5.909 1.00 0.47 C ATOM 1324 C VAL A 100 -5.411 -0.769 -6.989 1.00 0.42 C ATOM 1325 O VAL A 100 -5.874 -1.493 -7.874 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.552 -1.262 -4.816 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -7.289 -0.672 -3.622 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -7.322 -2.454 -5.373 1.00 1.35 C ATOM 0 H VAL A 100 -8.001 -0.380 -7.127 1.00 0.58 H new ATOM 0 HA VAL A 100 -5.832 0.671 -5.446 1.00 0.47 H new ATOM 0 HB VAL A 100 -5.575 -1.610 -4.481 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -7.443 -1.446 -2.870 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -6.698 0.138 -3.193 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -8.255 -0.284 -3.946 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -7.474 -3.190 -4.583 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -8.289 -2.119 -5.748 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -6.754 -2.906 -6.186 1.00 1.35 H new ATOM 1338 N ARG A 101 -4.137 -0.428 -6.934 1.00 0.43 N ATOM 1339 CA ARG A 101 -3.163 -1.000 -7.847 1.00 0.43 C ATOM 1340 C ARG A 101 -2.141 -1.793 -7.043 1.00 0.40 C ATOM 1341 O ARG A 101 -1.251 -1.223 -6.406 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.474 0.107 -8.674 1.00 0.49 C ATOM 1343 CG ARG A 101 -1.691 -0.419 -9.867 1.00 1.20 C ATOM 1344 CD ARG A 101 -1.033 0.715 -10.635 1.00 1.40 C ATOM 1345 NE ARG A 101 -0.233 0.233 -11.758 1.00 2.23 N ATOM 1346 CZ ARG A 101 0.336 1.030 -12.661 1.00 2.89 C ATOM 1347 NH1 ARG A 101 0.171 2.346 -12.593 1.00 2.96 N ATOM 1348 NH2 ARG A 101 1.075 0.511 -13.632 1.00 3.87 N ATOM 0 H ARG A 101 -3.752 0.241 -6.268 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.667 -1.666 -8.548 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -3.230 0.808 -9.027 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.799 0.666 -8.026 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -0.930 -1.120 -9.525 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -2.358 -0.971 -10.529 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -1.801 1.395 -11.004 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -0.398 1.288 -9.959 1.00 1.40 H new ATOM 0 HE ARG A 101 -0.102 -0.774 -11.857 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -0.394 2.751 -11.847 1.00 2.96 H new ATOM 0 HH12 ARG A 101 0.609 2.951 -13.287 1.00 2.96 H new ATOM 0 HH21 ARG A 101 1.208 -0.499 -13.688 1.00 3.87 H new ATOM 0 HH22 ARG A 101 1.511 1.122 -14.323 1.00 3.87 H new ATOM 1362 N ILE A 102 -2.297 -3.107 -7.056 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.449 -3.994 -6.276 1.00 0.43 C ATOM 1364 C ILE A 102 -0.287 -4.488 -7.124 1.00 0.45 C ATOM 1365 O ILE A 102 -0.492 -5.105 -8.170 1.00 0.56 O ATOM 1366 CB ILE A 102 -2.246 -5.211 -5.744 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.503 -4.745 -4.998 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.374 -6.072 -4.836 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.350 -5.877 -4.453 1.00 0.76 C ATOM 0 H ILE A 102 -3.011 -3.587 -7.604 1.00 0.43 H new ATOM 0 HA ILE A 102 -1.071 -3.427 -5.425 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.554 -5.817 -6.596 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -3.205 -4.098 -4.173 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -4.111 -4.142 -5.672 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.953 -6.921 -4.473 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.512 -6.434 -5.396 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -1.033 -5.477 -3.989 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -5.219 -5.466 -3.940 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.680 -6.512 -5.275 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -3.760 -6.468 -3.752 1.00 0.76 H new ATOM 1381 N ARG A 103 0.925 -4.216 -6.678 1.00 0.41 N ATOM 1382 CA ARG A 103 2.109 -4.611 -7.417 1.00 0.50 C ATOM 1383 C ARG A 103 3.051 -5.413 -6.530 1.00 0.43 C ATOM 1384 O ARG A 103 3.250 -5.086 -5.358 1.00 0.53 O ATOM 1385 CB ARG A 103 2.820 -3.379 -7.984 1.00 0.65 C ATOM 1386 CG ARG A 103 4.019 -3.726 -8.858 1.00 1.12 C ATOM 1387 CD ARG A 103 4.344 -2.635 -9.870 1.00 1.27 C ATOM 1388 NE ARG A 103 5.383 -3.066 -10.801 1.00 1.83 N ATOM 1389 CZ ARG A 103 5.414 -2.739 -12.091 1.00 2.44 C ATOM 1390 NH1 ARG A 103 4.460 -1.976 -12.618 1.00 2.64 N ATOM 1391 NH2 ARG A 103 6.407 -3.175 -12.855 1.00 3.34 N ATOM 0 H ARG A 103 1.115 -3.722 -5.806 1.00 0.41 H new ATOM 0 HA ARG A 103 1.802 -5.245 -8.249 1.00 0.50 H new ATOM 0 HB2 ARG A 103 2.110 -2.795 -8.569 1.00 0.65 H new ATOM 0 HB3 ARG A 103 3.150 -2.747 -7.160 1.00 0.65 H new ATOM 0 HG2 ARG A 103 4.888 -3.898 -8.223 1.00 1.12 H new ATOM 0 HG3 ARG A 103 3.821 -4.659 -9.386 1.00 1.12 H new ATOM 0 HD2 ARG A 103 3.443 -2.370 -10.424 1.00 1.27 H new ATOM 0 HD3 ARG A 103 4.672 -1.737 -9.347 1.00 1.27 H new ATOM 0 HE ARG A 103 6.133 -3.655 -10.440 1.00 1.83 H new ATOM 0 HH11 ARG A 103 3.697 -1.637 -12.033 1.00 2.64 H new ATOM 0 HH12 ARG A 103 4.492 -1.730 -13.607 1.00 2.64 H new ATOM 0 HH21 ARG A 103 7.142 -3.758 -12.453 1.00 3.34 H new ATOM 0 HH22 ARG A 103 6.436 -2.928 -13.844 1.00 3.34 H new ATOM 1405 N LYS A 104 3.620 -6.466 -7.096 1.00 0.38 N ATOM 1406 CA LYS A 104 4.522 -7.343 -6.367 1.00 0.39 C ATOM 1407 C LYS A 104 5.929 -6.773 -6.341 1.00 0.37 C ATOM 1408 O LYS A 104 6.601 -6.706 -7.374 1.00 0.46 O ATOM 1409 CB LYS A 104 4.542 -8.728 -7.005 1.00 0.51 C ATOM 1410 CG LYS A 104 3.274 -9.529 -6.779 1.00 0.63 C ATOM 1411 CD LYS A 104 3.280 -10.797 -7.616 1.00 1.06 C ATOM 1412 CE LYS A 104 2.243 -11.792 -7.131 1.00 1.50 C ATOM 1413 NZ LYS A 104 2.544 -12.274 -5.756 1.00 1.91 N ATOM 0 H LYS A 104 3.471 -6.736 -8.068 1.00 0.38 H new ATOM 0 HA LYS A 104 4.159 -7.423 -5.342 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.706 -8.621 -8.077 1.00 0.51 H new ATOM 0 HB3 LYS A 104 5.389 -9.288 -6.608 1.00 0.51 H new ATOM 0 HG2 LYS A 104 3.184 -9.785 -5.723 1.00 0.63 H new ATOM 0 HG3 LYS A 104 2.405 -8.923 -7.035 1.00 0.63 H new ATOM 0 HD2 LYS A 104 3.085 -10.546 -8.659 1.00 1.06 H new ATOM 0 HD3 LYS A 104 4.269 -11.254 -7.578 1.00 1.06 H new ATOM 0 HE2 LYS A 104 1.257 -11.327 -7.146 1.00 1.50 H new ATOM 0 HE3 LYS A 104 2.205 -12.641 -7.814 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 2.113 -13.210 -5.614 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 3.574 -12.344 -5.631 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 2.156 -11.605 -5.061 1.00 1.91 H new ATOM 1427 N VAL A 105 6.368 -6.359 -5.163 1.00 0.35 N ATOM 1428 CA VAL A 105 7.698 -5.803 -4.994 1.00 0.39 C ATOM 1429 C VAL A 105 8.322 -6.286 -3.696 1.00 0.46 C ATOM 1430 O VAL A 105 7.638 -6.444 -2.684 1.00 0.52 O ATOM 1431 CB VAL A 105 7.689 -4.254 -4.988 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.182 -3.713 -6.307 1.00 0.43 C ATOM 1433 CG2 VAL A 105 6.851 -3.707 -3.839 1.00 0.55 C ATOM 0 H VAL A 105 5.817 -6.399 -4.305 1.00 0.35 H new ATOM 0 HA VAL A 105 8.285 -6.146 -5.846 1.00 0.39 H new ATOM 0 HB VAL A 105 8.718 -3.922 -4.846 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.185 -2.623 -6.279 1.00 0.43 H new ATOM 0 HG12 VAL A 105 7.829 -4.057 -7.114 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.166 -4.069 -6.480 1.00 0.43 H new ATOM 0 HG21 VAL A 105 6.866 -2.617 -3.864 1.00 0.55 H new ATOM 0 HG22 VAL A 105 5.824 -4.058 -3.938 1.00 0.55 H new ATOM 0 HG23 VAL A 105 7.263 -4.054 -2.891 1.00 0.55 H new ATOM 1443 N THR A 106 9.612 -6.557 -3.736 1.00 0.52 N ATOM 1444 CA THR A 106 10.366 -6.777 -2.523 1.00 0.61 C ATOM 1445 C THR A 106 11.797 -6.303 -2.730 1.00 0.58 C ATOM 1446 O THR A 106 12.661 -7.067 -3.165 1.00 0.67 O ATOM 1447 CB THR A 106 10.368 -8.271 -2.135 1.00 0.80 C ATOM 1448 OG1 THR A 106 9.039 -8.802 -2.237 1.00 1.32 O ATOM 1449 CG2 THR A 106 10.886 -8.468 -0.718 1.00 1.64 C ATOM 0 H THR A 106 10.157 -6.629 -4.595 1.00 0.52 H new ATOM 0 HA THR A 106 9.898 -6.215 -1.715 1.00 0.61 H new ATOM 0 HB THR A 106 11.030 -8.799 -2.821 1.00 0.80 H new ATOM 0 HG1 THR A 106 9.046 -9.751 -1.991 1.00 1.32 H new ATOM 0 HG21 THR A 106 10.876 -9.530 -0.471 1.00 1.64 H new ATOM 0 HG22 THR A 106 11.905 -8.088 -0.647 1.00 1.64 H new ATOM 0 HG23 THR A 106 10.248 -7.927 -0.019 1.00 1.64 H new ATOM 1457 N SER A 107 12.025 -5.036 -2.402 1.00 0.50 N ATOM 1458 CA SER A 107 13.345 -4.422 -2.464 1.00 0.51 C ATOM 1459 C SER A 107 13.244 -2.939 -2.114 1.00 0.45 C ATOM 1460 O SER A 107 12.442 -2.222 -2.719 1.00 0.44 O ATOM 1461 CB SER A 107 13.978 -4.603 -3.849 1.00 0.56 C ATOM 1462 OG SER A 107 13.059 -4.282 -4.881 1.00 1.36 O ATOM 0 H SER A 107 11.293 -4.402 -2.083 1.00 0.50 H new ATOM 0 HA SER A 107 13.988 -4.919 -1.738 1.00 0.51 H new ATOM 0 HB2 SER A 107 14.860 -3.968 -3.934 1.00 0.56 H new ATOM 0 HB3 SER A 107 14.314 -5.633 -3.966 1.00 0.56 H new ATOM 0 HG SER A 107 13.551 -4.029 -5.690 1.00 1.36 H new ATOM 1468 N PRO A 108 14.004 -2.469 -1.114 1.00 0.47 N ATOM 1469 CA PRO A 108 13.919 -1.084 -0.629 1.00 0.49 C ATOM 1470 C PRO A 108 13.871 -0.044 -1.748 1.00 0.43 C ATOM 1471 O PRO A 108 12.931 0.754 -1.820 1.00 0.47 O ATOM 1472 CB PRO A 108 15.196 -0.935 0.193 1.00 0.63 C ATOM 1473 CG PRO A 108 15.451 -2.302 0.717 1.00 0.69 C ATOM 1474 CD PRO A 108 15.004 -3.251 -0.362 1.00 0.55 C ATOM 0 HA PRO A 108 12.999 -0.909 -0.071 1.00 0.49 H new ATOM 0 HB2 PRO A 108 16.025 -0.582 -0.420 1.00 0.63 H new ATOM 0 HB3 PRO A 108 15.068 -0.215 1.002 1.00 0.63 H new ATOM 0 HG2 PRO A 108 16.508 -2.441 0.946 1.00 0.69 H new ATOM 0 HG3 PRO A 108 14.899 -2.475 1.641 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.835 -3.557 -0.997 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.571 -4.160 0.056 1.00 0.55 H new ATOM 1482 N ASP A 109 14.865 -0.085 -2.634 1.00 0.46 N ATOM 1483 CA ASP A 109 15.017 0.923 -3.685 1.00 0.50 C ATOM 1484 C ASP A 109 13.784 1.001 -4.581 1.00 0.41 C ATOM 1485 O ASP A 109 13.285 2.093 -4.857 1.00 0.44 O ATOM 1486 CB ASP A 109 16.255 0.633 -4.534 1.00 0.64 C ATOM 1487 CG ASP A 109 16.539 1.730 -5.543 1.00 1.56 C ATOM 1488 OD1 ASP A 109 17.176 2.738 -5.169 1.00 2.22 O ATOM 1489 OD2 ASP A 109 16.138 1.591 -6.715 1.00 2.37 O ATOM 0 H ASP A 109 15.582 -0.810 -2.645 1.00 0.46 H new ATOM 0 HA ASP A 109 15.136 1.887 -3.190 1.00 0.50 H new ATOM 0 HB2 ASP A 109 17.119 0.512 -3.881 1.00 0.64 H new ATOM 0 HB3 ASP A 109 16.118 -0.312 -5.059 1.00 0.64 H new ATOM 1494 N GLU A 110 13.293 -0.155 -5.026 1.00 0.38 N ATOM 1495 CA GLU A 110 12.099 -0.207 -5.870 1.00 0.38 C ATOM 1496 C GLU A 110 10.900 0.396 -5.152 1.00 0.36 C ATOM 1497 O GLU A 110 10.161 1.195 -5.729 1.00 0.42 O ATOM 1498 CB GLU A 110 11.773 -1.645 -6.284 1.00 0.43 C ATOM 1499 CG GLU A 110 12.520 -2.128 -7.518 1.00 0.68 C ATOM 1500 CD GLU A 110 14.022 -2.113 -7.349 1.00 1.32 C ATOM 1501 OE1 GLU A 110 14.704 -1.416 -8.126 1.00 2.01 O ATOM 1502 OE2 GLU A 110 14.526 -2.799 -6.437 1.00 2.12 O ATOM 0 H GLU A 110 13.702 -1.066 -4.817 1.00 0.38 H new ATOM 0 HA GLU A 110 12.311 0.377 -6.766 1.00 0.38 H new ATOM 0 HB2 GLU A 110 12.002 -2.311 -5.452 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.702 -1.723 -6.469 1.00 0.43 H new ATOM 0 HG2 GLU A 110 12.198 -3.142 -7.756 1.00 0.68 H new ATOM 0 HG3 GLU A 110 12.250 -1.500 -8.367 1.00 0.68 H new ATOM 1509 N ALA A 111 10.720 0.018 -3.892 1.00 0.33 N ATOM 1510 CA ALA A 111 9.611 0.522 -3.091 1.00 0.35 C ATOM 1511 C ALA A 111 9.657 2.042 -3.008 1.00 0.34 C ATOM 1512 O ALA A 111 8.672 2.720 -3.297 1.00 0.41 O ATOM 1513 CB ALA A 111 9.644 -0.090 -1.698 1.00 0.38 C ATOM 0 H ALA A 111 11.329 -0.637 -3.402 1.00 0.33 H new ATOM 0 HA ALA A 111 8.677 0.234 -3.574 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.810 0.296 -1.111 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.563 -1.174 -1.775 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.583 0.170 -1.209 1.00 0.38 H new ATOM 1519 N LYS A 112 10.822 2.568 -2.643 1.00 0.32 N ATOM 1520 CA LYS A 112 11.023 4.008 -2.527 1.00 0.34 C ATOM 1521 C LYS A 112 10.761 4.704 -3.862 1.00 0.37 C ATOM 1522 O LYS A 112 10.286 5.839 -3.905 1.00 0.42 O ATOM 1523 CB LYS A 112 12.456 4.302 -2.072 1.00 0.40 C ATOM 1524 CG LYS A 112 12.822 3.678 -0.733 1.00 0.48 C ATOM 1525 CD LYS A 112 14.332 3.618 -0.542 1.00 0.62 C ATOM 1526 CE LYS A 112 14.952 5.001 -0.407 1.00 1.11 C ATOM 1527 NZ LYS A 112 14.563 5.663 0.865 1.00 1.51 N ATOM 0 H LYS A 112 11.648 2.012 -2.421 1.00 0.32 H new ATOM 0 HA LYS A 112 10.318 4.391 -1.789 1.00 0.34 H new ATOM 0 HB2 LYS A 112 13.149 3.939 -2.831 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.591 5.382 -2.007 1.00 0.40 H new ATOM 0 HG2 LYS A 112 12.374 4.257 0.075 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.406 2.672 -0.673 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.560 3.031 0.348 1.00 0.62 H new ATOM 0 HD3 LYS A 112 14.783 3.101 -1.389 1.00 0.62 H new ATOM 0 HE2 LYS A 112 16.038 4.918 -0.455 1.00 1.11 H new ATOM 0 HE3 LYS A 112 14.642 5.621 -1.248 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 15.047 6.581 0.941 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 13.534 5.812 0.878 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 14.836 5.060 1.668 1.00 1.51 H new ATOM 1541 N ARG A 113 11.060 4.002 -4.946 1.00 0.38 N ATOM 1542 CA ARG A 113 10.944 4.563 -6.282 1.00 0.46 C ATOM 1543 C ARG A 113 9.485 4.630 -6.726 1.00 0.43 C ATOM 1544 O ARG A 113 9.035 5.654 -7.242 1.00 0.50 O ATOM 1545 CB ARG A 113 11.772 3.732 -7.259 1.00 0.57 C ATOM 1546 CG ARG A 113 11.777 4.271 -8.675 1.00 0.77 C ATOM 1547 CD ARG A 113 12.832 3.573 -9.514 1.00 1.01 C ATOM 1548 NE ARG A 113 12.819 4.004 -10.909 1.00 1.68 N ATOM 1549 CZ ARG A 113 13.467 3.369 -11.884 1.00 2.13 C ATOM 1550 NH1 ARG A 113 14.185 2.284 -11.614 1.00 1.97 N ATOM 1551 NH2 ARG A 113 13.403 3.819 -13.129 1.00 2.96 N ATOM 0 H ARG A 113 11.387 3.036 -4.924 1.00 0.38 H new ATOM 0 HA ARG A 113 11.328 5.583 -6.268 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.799 3.681 -6.897 1.00 0.57 H new ATOM 0 HB3 ARG A 113 11.387 2.712 -7.270 1.00 0.57 H new ATOM 0 HG2 ARG A 113 10.795 4.129 -9.126 1.00 0.77 H new ATOM 0 HG3 ARG A 113 11.969 5.344 -8.660 1.00 0.77 H new ATOM 0 HD2 ARG A 113 13.816 3.767 -9.087 1.00 1.01 H new ATOM 0 HD3 ARG A 113 12.672 2.496 -9.469 1.00 1.01 H new ATOM 0 HE ARG A 113 12.284 4.838 -11.150 1.00 1.68 H new ATOM 0 HH11 ARG A 113 14.241 1.935 -10.657 1.00 1.97 H new ATOM 0 HH12 ARG A 113 14.680 1.800 -12.363 1.00 1.97 H new ATOM 0 HH21 ARG A 113 12.857 4.653 -13.342 1.00 2.96 H new ATOM 0 HH22 ARG A 113 13.900 3.331 -13.874 1.00 2.96 H new ATOM 1565 N TRP A 114 8.747 3.542 -6.516 1.00 0.39 N ATOM 1566 CA TRP A 114 7.325 3.512 -6.846 1.00 0.39 C ATOM 1567 C TRP A 114 6.580 4.593 -6.070 1.00 0.40 C ATOM 1568 O TRP A 114 5.743 5.307 -6.619 1.00 0.46 O ATOM 1569 CB TRP A 114 6.708 2.140 -6.539 1.00 0.38 C ATOM 1570 CG TRP A 114 7.166 1.037 -7.452 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.754 -0.142 -7.088 1.00 0.34 C ATOM 1572 CD2 TRP A 114 7.071 1.009 -8.882 1.00 0.66 C ATOM 1573 NE1 TRP A 114 8.026 -0.900 -8.201 1.00 0.40 N ATOM 1574 CE2 TRP A 114 7.619 -0.214 -9.315 1.00 0.63 C ATOM 1575 CE3 TRP A 114 6.575 1.897 -9.838 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 7.686 -0.566 -10.659 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 6.642 1.546 -11.171 1.00 1.29 C ATOM 1578 CH2 TRP A 114 7.193 0.324 -11.571 1.00 1.25 C ATOM 0 H TRP A 114 9.108 2.674 -6.121 1.00 0.39 H new ATOM 0 HA TRP A 114 7.229 3.700 -7.915 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.949 1.868 -5.511 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.623 2.221 -6.602 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.973 -0.435 -6.072 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.460 -1.823 -8.198 1.00 0.40 H new ATOM 0 HE3 TRP A 114 6.146 2.842 -9.540 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 8.112 -1.508 -10.970 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 6.262 2.227 -11.919 1.00 1.29 H new ATOM 0 HH2 TRP A 114 7.229 0.079 -12.622 1.00 1.25 H new ATOM 1589 N ILE A 115 6.924 4.725 -4.798 1.00 0.38 N ATOM 1590 CA ILE A 115 6.278 5.694 -3.920 1.00 0.41 C ATOM 1591 C ILE A 115 6.513 7.122 -4.418 1.00 0.47 C ATOM 1592 O ILE A 115 5.645 7.991 -4.297 1.00 0.55 O ATOM 1593 CB ILE A 115 6.792 5.547 -2.467 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.395 4.179 -1.901 1.00 0.40 C ATOM 1595 CG2 ILE A 115 6.261 6.666 -1.581 1.00 0.45 C ATOM 1596 CD1 ILE A 115 6.932 3.914 -0.510 1.00 0.44 C ATOM 0 H ILE A 115 7.651 4.170 -4.347 1.00 0.38 H new ATOM 0 HA ILE A 115 5.207 5.494 -3.933 1.00 0.41 H new ATOM 0 HB ILE A 115 7.879 5.620 -2.482 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.308 4.106 -1.881 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.754 3.400 -2.573 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.638 6.537 -0.567 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.593 7.628 -1.972 1.00 0.45 H new ATOM 0 HG23 ILE A 115 5.171 6.635 -1.570 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.609 2.927 -0.177 1.00 0.44 H new ATOM 0 HD12 ILE A 115 8.021 3.953 -0.527 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.552 4.671 0.177 1.00 0.44 H new ATOM 1608 N LYS A 116 7.677 7.344 -5.012 1.00 0.50 N ATOM 1609 CA LYS A 116 8.065 8.656 -5.478 1.00 0.60 C ATOM 1610 C LYS A 116 7.229 9.090 -6.679 1.00 0.57 C ATOM 1611 O LYS A 116 6.722 10.210 -6.719 1.00 0.69 O ATOM 1612 CB LYS A 116 9.543 8.630 -5.849 1.00 0.73 C ATOM 1613 CG LYS A 116 10.139 9.998 -6.088 1.00 1.18 C ATOM 1614 CD LYS A 116 9.973 10.886 -4.872 1.00 1.85 C ATOM 1615 CE LYS A 116 11.051 11.944 -4.831 1.00 2.50 C ATOM 1616 NZ LYS A 116 11.048 12.794 -6.050 1.00 3.13 N ATOM 0 H LYS A 116 8.373 6.618 -5.181 1.00 0.50 H new ATOM 0 HA LYS A 116 7.892 9.378 -4.680 1.00 0.60 H new ATOM 0 HB2 LYS A 116 10.099 8.137 -5.052 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.671 8.027 -6.748 1.00 0.73 H new ATOM 0 HG2 LYS A 116 11.198 9.900 -6.328 1.00 1.18 H new ATOM 0 HG3 LYS A 116 9.658 10.462 -6.949 1.00 1.18 H new ATOM 0 HD2 LYS A 116 8.992 11.360 -4.893 1.00 1.85 H new ATOM 0 HD3 LYS A 116 10.015 10.282 -3.966 1.00 1.85 H new ATOM 0 HE2 LYS A 116 10.908 12.572 -3.952 1.00 2.50 H new ATOM 0 HE3 LYS A 116 12.024 11.465 -4.726 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 11.696 13.596 -5.916 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 11.359 12.231 -6.867 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 10.086 13.151 -6.222 1.00 3.13 H new ATOM 1630 N GLU A 117 7.070 8.199 -7.649 1.00 0.53 N ATOM 1631 CA GLU A 117 6.398 8.556 -8.892 1.00 0.58 C ATOM 1632 C GLU A 117 4.875 8.541 -8.751 1.00 0.57 C ATOM 1633 O GLU A 117 4.170 9.149 -9.552 1.00 0.66 O ATOM 1634 CB GLU A 117 6.837 7.637 -10.039 1.00 0.70 C ATOM 1635 CG GLU A 117 6.518 6.169 -9.831 1.00 1.28 C ATOM 1636 CD GLU A 117 6.838 5.344 -11.061 1.00 1.51 C ATOM 1637 OE1 GLU A 117 5.894 4.921 -11.762 1.00 2.14 O ATOM 1638 OE2 GLU A 117 8.034 5.136 -11.349 1.00 1.93 O ATOM 0 H GLU A 117 7.394 7.233 -7.601 1.00 0.53 H new ATOM 0 HA GLU A 117 6.695 9.578 -9.128 1.00 0.58 H new ATOM 0 HB2 GLU A 117 6.358 7.972 -10.959 1.00 0.70 H new ATOM 0 HB3 GLU A 117 7.912 7.745 -10.182 1.00 0.70 H new ATOM 0 HG2 GLU A 117 7.086 5.790 -8.981 1.00 1.28 H new ATOM 0 HG3 GLU A 117 5.462 6.058 -9.583 1.00 1.28 H new ATOM 1645 N PHE A 118 4.366 7.860 -7.736 1.00 0.56 N ATOM 1646 CA PHE A 118 2.924 7.787 -7.528 1.00 0.66 C ATOM 1647 C PHE A 118 2.408 9.000 -6.764 1.00 0.73 C ATOM 1648 O PHE A 118 1.225 9.328 -6.829 1.00 0.88 O ATOM 1649 CB PHE A 118 2.552 6.506 -6.786 1.00 0.73 C ATOM 1650 CG PHE A 118 2.294 5.333 -7.691 1.00 0.69 C ATOM 1651 CD1 PHE A 118 3.330 4.518 -8.118 1.00 1.33 C ATOM 1652 CD2 PHE A 118 1.005 5.046 -8.113 1.00 1.27 C ATOM 1653 CE1 PHE A 118 3.086 3.441 -8.948 1.00 1.57 C ATOM 1654 CE2 PHE A 118 0.756 3.971 -8.943 1.00 1.56 C ATOM 1655 CZ PHE A 118 1.797 3.167 -9.361 1.00 1.41 C ATOM 0 H PHE A 118 4.922 7.353 -7.048 1.00 0.56 H new ATOM 0 HA PHE A 118 2.452 7.779 -8.510 1.00 0.66 H new ATOM 0 HB2 PHE A 118 3.356 6.250 -6.096 1.00 0.73 H new ATOM 0 HB3 PHE A 118 1.662 6.691 -6.184 1.00 0.73 H new ATOM 0 HD1 PHE A 118 4.340 4.727 -7.798 1.00 1.33 H new ATOM 0 HD2 PHE A 118 0.186 5.671 -7.789 1.00 1.27 H new ATOM 0 HE1 PHE A 118 3.903 2.814 -9.274 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -0.253 3.759 -9.265 1.00 1.56 H new ATOM 0 HZ PHE A 118 1.604 2.325 -10.010 1.00 1.41 H new ATOM 1665 N SER A 119 3.292 9.677 -6.053 1.00 0.69 N ATOM 1666 CA SER A 119 2.889 10.811 -5.236 1.00 0.80 C ATOM 1667 C SER A 119 2.951 12.120 -6.020 1.00 0.79 C ATOM 1668 O SER A 119 2.463 13.151 -5.557 1.00 0.90 O ATOM 1669 CB SER A 119 3.766 10.889 -3.987 1.00 0.93 C ATOM 1670 OG SER A 119 5.132 10.698 -4.312 1.00 1.20 O ATOM 0 H SER A 119 4.289 9.464 -6.024 1.00 0.69 H new ATOM 0 HA SER A 119 1.852 10.661 -4.936 1.00 0.80 H new ATOM 0 HB2 SER A 119 3.635 11.859 -3.507 1.00 0.93 H new ATOM 0 HB3 SER A 119 3.450 10.132 -3.269 1.00 0.93 H new ATOM 0 HG SER A 119 5.323 9.739 -4.374 1.00 1.20 H new ATOM 1676 N GLU A 120 3.534 12.074 -7.211 1.00 0.81 N ATOM 1677 CA GLU A 120 3.672 13.269 -8.036 1.00 0.96 C ATOM 1678 C GLU A 120 2.600 13.320 -9.124 1.00 1.17 C ATOM 1679 O GLU A 120 2.619 14.199 -9.986 1.00 1.50 O ATOM 1680 CB GLU A 120 5.070 13.332 -8.665 1.00 1.08 C ATOM 1681 CG GLU A 120 5.494 12.043 -9.346 1.00 1.41 C ATOM 1682 CD GLU A 120 6.854 12.149 -10.002 1.00 2.00 C ATOM 1683 OE1 GLU A 120 6.912 12.223 -11.246 1.00 2.45 O ATOM 1684 OE2 GLU A 120 7.871 12.177 -9.277 1.00 2.77 O ATOM 0 H GLU A 120 3.918 11.226 -7.627 1.00 0.81 H new ATOM 0 HA GLU A 120 3.538 14.136 -7.389 1.00 0.96 H new ATOM 0 HB2 GLU A 120 5.094 14.142 -9.394 1.00 1.08 H new ATOM 0 HB3 GLU A 120 5.796 13.579 -7.890 1.00 1.08 H new ATOM 0 HG2 GLU A 120 5.511 11.238 -8.612 1.00 1.41 H new ATOM 0 HG3 GLU A 120 4.752 11.773 -10.098 1.00 1.41 H new ATOM 1691 N GLU A 121 1.666 12.381 -9.084 1.00 1.22 N ATOM 1692 CA GLU A 121 0.581 12.356 -10.051 1.00 1.56 C ATOM 1693 C GLU A 121 -0.771 12.478 -9.348 1.00 2.02 C ATOM 1694 O GLU A 121 -1.472 11.455 -9.194 1.00 2.60 O ATOM 1695 CB GLU A 121 0.647 11.082 -10.908 1.00 1.96 C ATOM 1696 CG GLU A 121 0.867 9.805 -10.109 1.00 2.47 C ATOM 1697 CD GLU A 121 0.715 8.556 -10.952 1.00 3.35 C ATOM 1698 OE1 GLU A 121 -0.390 7.975 -10.964 1.00 4.00 O ATOM 1699 OE2 GLU A 121 1.693 8.149 -11.609 1.00 3.84 O ATOM 1700 OXT GLU A 121 -1.120 13.601 -8.927 1.00 2.53 O ATOM 0 H GLU A 121 1.638 11.630 -8.395 1.00 1.22 H new ATOM 0 HA GLU A 121 0.692 13.213 -10.715 1.00 1.56 H new ATOM 0 HB2 GLU A 121 -0.280 10.989 -11.473 1.00 1.96 H new ATOM 0 HB3 GLU A 121 1.453 11.187 -11.634 1.00 1.96 H new ATOM 0 HG2 GLU A 121 1.864 9.823 -9.670 1.00 2.47 H new ATOM 0 HG3 GLU A 121 0.156 9.770 -9.284 1.00 2.47 H new TER 1707 GLU A 121