USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 THR OG1 : rot 119:sc= 1.26 USER MOD Set 1.2: A 40 THR OG1 : rot -100:sc= -0.155 USER MOD Set 1.3: A 41 ASN : amide:sc= -0.206 X(o=0.9,f=0.94) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -125:sc= -1.55 (180deg=-3.99!) USER MOD Set 2.2: A 37 MET CE :methyl -168:sc= -1.15 (180deg=-1.46) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -113:sc= 0.847 USER MOD Single : A 6 ASN : amide:sc= -0.0842 K(o=-0.084,f=-2.1!) USER MOD Single : A 8 LYS NZ :NH3+ -138:sc= 0.619 (180deg=-0.905) USER MOD Single : A 10 THR OG1 : rot 160:sc= -0.248 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -162:sc= -0.0714 (180deg=-0.479) USER MOD Single : A 28 TYR OH : rot 36:sc= -0.245 USER MOD Single : A 32 THR OG1 : rot -38:sc= 1.11 USER MOD Single : A 39 MET CE :methyl 167:sc= -0.0321 (180deg=-0.366) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0628) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 0:sc= -1.26 USER MOD Single : A 58 SER OG : rot 84:sc= 1.31 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 67 GLN : amide:sc= -0.0891 X(o=-0.089,f=-0.1) USER MOD Single : A 69 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.15) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.01 K(o=-1,f=-3.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 76:sc= 0.96 USER MOD Single : A 80 ASN : amide:sc= -0.992 X(o=-0.99,f=-1) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot -62:sc= 1.19 USER MOD Single : A 86 SER OG : rot 180:sc= 0.313 USER MOD Single : A 87 SER OG : rot 180:sc= -0.234 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -116:sc= -0.0575 (180deg=-0.833) USER MOD Single : A 95 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0325) USER MOD Single : A 96 GLN : amide:sc= -0.463 K(o=-0.46,f=-2.1) USER MOD Single : A 97 TYR OH : rot -140:sc= -0.524 USER MOD Single : A 99 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.99) USER MOD Single : A 100 CYS SG : rot 82:sc= -1.68! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -25:sc= 0.234 USER MOD Single : A 107 LYS NZ :NH3+ 159:sc= -0.123 (180deg=-0.503) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 -13.986 -8.314 0.264 1.00 1.12 N ATOM 26 CA THR A 3 -12.937 -9.315 0.384 1.00 0.81 C ATOM 27 C THR A 3 -11.747 -8.979 -0.507 1.00 0.72 C ATOM 28 O THR A 3 -11.690 -7.907 -1.113 1.00 0.87 O ATOM 29 CB THR A 3 -13.456 -10.719 0.026 1.00 2.03 C ATOM 30 OG1 THR A 3 -13.552 -10.863 -1.394 1.00 2.79 O ATOM 31 CG2 THR A 3 -14.819 -10.965 0.656 1.00 2.21 C ATOM 0 HA THR A 3 -12.616 -9.311 1.426 1.00 0.81 H new ATOM 0 HB THR A 3 -12.750 -11.452 0.416 1.00 2.03 H new ATOM 0 HG1 THR A 3 -13.882 -11.760 -1.610 1.00 2.79 H new ATOM 0 HG21 THR A 3 -15.168 -11.963 0.391 1.00 2.21 H new ATOM 0 HG22 THR A 3 -14.738 -10.885 1.740 1.00 2.21 H new ATOM 0 HG23 THR A 3 -15.529 -10.223 0.289 1.00 2.21 H new ATOM 39 N THR A 4 -10.798 -9.902 -0.582 1.00 0.63 N ATOM 40 CA THR A 4 -9.603 -9.708 -1.390 1.00 0.58 C ATOM 41 C THR A 4 -9.560 -10.686 -2.556 1.00 0.56 C ATOM 42 O THR A 4 -10.050 -11.811 -2.453 1.00 0.75 O ATOM 43 CB THR A 4 -8.330 -9.883 -0.544 1.00 0.73 C ATOM 44 OG1 THR A 4 -8.328 -11.177 0.071 1.00 0.93 O ATOM 45 CG2 THR A 4 -8.241 -8.808 0.528 1.00 0.89 C ATOM 0 H THR A 4 -10.833 -10.795 -0.091 1.00 0.63 H new ATOM 0 HA THR A 4 -9.643 -8.690 -1.778 1.00 0.58 H new ATOM 0 HB THR A 4 -7.466 -9.790 -1.202 1.00 0.73 H new ATOM 0 HG1 THR A 4 -7.553 -11.688 -0.244 1.00 0.93 H new ATOM 0 HG21 THR A 4 -7.333 -8.952 1.113 1.00 0.89 H new ATOM 0 HG22 THR A 4 -8.217 -7.825 0.057 1.00 0.89 H new ATOM 0 HG23 THR A 4 -9.110 -8.875 1.183 1.00 0.89 H new ATOM 53 N THR A 5 -8.975 -10.249 -3.667 1.00 0.47 N ATOM 54 CA THR A 5 -8.857 -11.094 -4.846 1.00 0.52 C ATOM 55 C THR A 5 -8.067 -12.355 -4.514 1.00 0.69 C ATOM 56 O THR A 5 -7.215 -12.342 -3.627 1.00 1.62 O ATOM 57 CB THR A 5 -8.164 -10.350 -6.006 1.00 0.43 C ATOM 58 OG1 THR A 5 -8.846 -9.119 -6.277 1.00 0.49 O ATOM 59 CG2 THR A 5 -8.138 -11.205 -7.265 1.00 0.50 C ATOM 0 H THR A 5 -8.577 -9.316 -3.774 1.00 0.47 H new ATOM 0 HA THR A 5 -9.866 -11.362 -5.160 1.00 0.52 H new ATOM 0 HB THR A 5 -7.137 -10.141 -5.707 1.00 0.43 H new ATOM 0 HG1 THR A 5 -9.268 -9.166 -7.160 1.00 0.49 H new ATOM 0 HG21 THR A 5 -7.644 -10.657 -8.067 1.00 0.50 H new ATOM 0 HG22 THR A 5 -7.593 -12.128 -7.067 1.00 0.50 H new ATOM 0 HG23 THR A 5 -9.159 -11.444 -7.564 1.00 0.50 H new ATOM 67 N ASN A 6 -8.350 -13.440 -5.225 1.00 0.63 N ATOM 68 CA ASN A 6 -7.661 -14.707 -4.996 1.00 0.68 C ATOM 69 C ASN A 6 -6.186 -14.619 -5.385 1.00 0.57 C ATOM 70 O ASN A 6 -5.461 -15.612 -5.318 1.00 0.62 O ATOM 71 CB ASN A 6 -8.340 -15.829 -5.782 1.00 0.82 C ATOM 72 CG ASN A 6 -9.703 -16.184 -5.222 1.00 1.42 C ATOM 73 OD1 ASN A 6 -10.412 -15.329 -4.695 1.00 2.05 O ATOM 74 ND2 ASN A 6 -10.074 -17.454 -5.329 1.00 2.12 N ATOM 0 H ASN A 6 -9.051 -13.469 -5.965 1.00 0.63 H new ATOM 0 HA ASN A 6 -7.718 -14.927 -3.930 1.00 0.68 H new ATOM 0 HB2 ASN A 6 -8.446 -15.526 -6.824 1.00 0.82 H new ATOM 0 HB3 ASN A 6 -7.704 -16.714 -5.770 1.00 0.82 H new ATOM 0 HD21 ASN A 6 -10.979 -17.753 -4.966 1.00 2.12 H new ATOM 0 HD22 ASN A 6 -9.454 -18.131 -5.774 1.00 2.12 H new ATOM 81 N GLU A 7 -5.747 -13.430 -5.788 1.00 0.47 N ATOM 82 CA GLU A 7 -4.360 -13.223 -6.188 1.00 0.40 C ATOM 83 C GLU A 7 -3.512 -12.721 -5.023 1.00 0.42 C ATOM 84 O GLU A 7 -3.639 -11.571 -4.600 1.00 0.50 O ATOM 85 CB GLU A 7 -4.285 -12.226 -7.345 1.00 0.37 C ATOM 86 CG GLU A 7 -3.692 -12.810 -8.617 1.00 0.42 C ATOM 87 CD GLU A 7 -4.502 -13.970 -9.160 1.00 0.94 C ATOM 88 OE1 GLU A 7 -5.452 -13.721 -9.931 1.00 0.85 O ATOM 89 OE2 GLU A 7 -4.186 -15.127 -8.814 1.00 1.65 O ATOM 0 H GLU A 7 -6.332 -12.596 -5.846 1.00 0.47 H new ATOM 0 HA GLU A 7 -3.963 -14.185 -6.510 1.00 0.40 H new ATOM 0 HB2 GLU A 7 -5.287 -11.855 -7.559 1.00 0.37 H new ATOM 0 HB3 GLU A 7 -3.687 -11.369 -7.036 1.00 0.37 H new ATOM 0 HG2 GLU A 7 -3.629 -12.030 -9.375 1.00 0.42 H new ATOM 0 HG3 GLU A 7 -2.674 -13.144 -8.418 1.00 0.42 H new ATOM 96 N LYS A 8 -2.651 -13.593 -4.508 1.00 0.40 N ATOM 97 CA LYS A 8 -1.763 -13.239 -3.408 1.00 0.44 C ATOM 98 C LYS A 8 -0.640 -12.341 -3.917 1.00 0.41 C ATOM 99 O LYS A 8 -0.364 -11.285 -3.349 1.00 0.45 O ATOM 100 CB LYS A 8 -1.190 -14.512 -2.764 1.00 0.55 C ATOM 101 CG LYS A 8 0.197 -14.345 -2.151 1.00 0.60 C ATOM 102 CD LYS A 8 0.178 -13.426 -0.940 1.00 0.58 C ATOM 103 CE LYS A 8 1.585 -13.131 -0.440 1.00 0.70 C ATOM 104 NZ LYS A 8 2.278 -14.356 0.044 1.00 1.44 N ATOM 0 H LYS A 8 -2.550 -14.553 -4.837 1.00 0.40 H new ATOM 0 HA LYS A 8 -2.328 -12.694 -2.651 1.00 0.44 H new ATOM 0 HB2 LYS A 8 -1.877 -14.852 -1.989 1.00 0.55 H new ATOM 0 HB3 LYS A 8 -1.147 -15.297 -3.519 1.00 0.55 H new ATOM 0 HG2 LYS A 8 0.584 -15.321 -1.859 1.00 0.60 H new ATOM 0 HG3 LYS A 8 0.879 -13.943 -2.901 1.00 0.60 H new ATOM 0 HD2 LYS A 8 -0.320 -12.492 -1.199 1.00 0.58 H new ATOM 0 HD3 LYS A 8 -0.404 -13.887 -0.142 1.00 0.58 H new ATOM 0 HE2 LYS A 8 2.167 -12.680 -1.244 1.00 0.70 H new ATOM 0 HE3 LYS A 8 1.536 -12.400 0.367 1.00 0.70 H new ATOM 0 HZ1 LYS A 8 2.792 -14.140 0.922 1.00 1.44 H new ATOM 0 HZ2 LYS A 8 1.577 -15.102 0.228 1.00 1.44 H new ATOM 0 HZ3 LYS A 8 2.950 -14.683 -0.679 1.00 1.44 H new ATOM 118 N ILE A 9 -0.003 -12.776 -4.999 1.00 0.42 N ATOM 119 CA ILE A 9 1.092 -12.028 -5.603 1.00 0.43 C ATOM 120 C ILE A 9 0.569 -10.891 -6.478 1.00 0.36 C ATOM 121 O ILE A 9 -0.606 -10.530 -6.406 1.00 0.32 O ATOM 122 CB ILE A 9 2.013 -12.944 -6.444 1.00 0.49 C ATOM 123 CG1 ILE A 9 1.336 -13.370 -7.759 1.00 0.53 C ATOM 124 CG2 ILE A 9 2.427 -14.162 -5.630 1.00 0.62 C ATOM 125 CD1 ILE A 9 0.103 -14.235 -7.582 1.00 0.51 C ATOM 0 H ILE A 9 -0.229 -13.648 -5.477 1.00 0.42 H new ATOM 0 HA ILE A 9 1.674 -11.607 -4.783 1.00 0.43 H new ATOM 0 HB ILE A 9 2.906 -12.377 -6.706 1.00 0.49 H new ATOM 0 HG12 ILE A 9 1.059 -12.475 -8.316 1.00 0.53 H new ATOM 0 HG13 ILE A 9 2.060 -13.913 -8.366 1.00 0.53 H new ATOM 0 HG21 ILE A 9 3.075 -14.799 -6.232 1.00 0.62 H new ATOM 0 HG22 ILE A 9 2.964 -13.838 -4.738 1.00 0.62 H new ATOM 0 HG23 ILE A 9 1.539 -14.722 -5.336 1.00 0.62 H new ATOM 0 HD11 ILE A 9 -0.308 -14.487 -8.560 1.00 0.51 H new ATOM 0 HD12 ILE A 9 0.373 -15.150 -7.055 1.00 0.51 H new ATOM 0 HD13 ILE A 9 -0.644 -13.690 -7.004 1.00 0.51 H new ATOM 137 N THR A 10 1.451 -10.331 -7.301 1.00 0.38 N ATOM 138 CA THR A 10 1.083 -9.230 -8.186 1.00 0.36 C ATOM 139 C THR A 10 2.049 -9.116 -9.360 1.00 0.42 C ATOM 140 O THR A 10 1.697 -8.590 -10.415 1.00 0.57 O ATOM 141 CB THR A 10 1.054 -7.895 -7.424 1.00 0.37 C ATOM 142 OG1 THR A 10 1.337 -6.810 -8.312 1.00 0.34 O ATOM 143 CG2 THR A 10 2.064 -7.906 -6.293 1.00 0.39 C ATOM 0 H THR A 10 2.426 -10.622 -7.374 1.00 0.38 H new ATOM 0 HA THR A 10 0.085 -9.447 -8.568 1.00 0.36 H new ATOM 0 HB THR A 10 0.056 -7.763 -7.005 1.00 0.37 H new ATOM 0 HG1 THR A 10 1.011 -5.973 -7.920 1.00 0.34 H new ATOM 0 HG21 THR A 10 2.029 -6.953 -5.765 1.00 0.39 H new ATOM 0 HG22 THR A 10 1.826 -8.713 -5.601 1.00 0.39 H new ATOM 0 HG23 THR A 10 3.064 -8.059 -6.699 1.00 0.39 H new ATOM 151 N LYS A 11 3.269 -9.605 -9.171 1.00 0.43 N ATOM 152 CA LYS A 11 4.280 -9.567 -10.223 1.00 0.52 C ATOM 153 C LYS A 11 3.778 -10.308 -11.461 1.00 0.54 C ATOM 154 O LYS A 11 4.301 -10.139 -12.562 1.00 0.65 O ATOM 155 CB LYS A 11 5.581 -10.201 -9.713 1.00 0.61 C ATOM 156 CG LYS A 11 6.762 -10.067 -10.666 1.00 0.71 C ATOM 157 CD LYS A 11 6.881 -11.258 -11.610 1.00 1.08 C ATOM 158 CE LYS A 11 7.242 -12.536 -10.870 1.00 0.69 C ATOM 159 NZ LYS A 11 7.430 -13.681 -11.804 1.00 1.09 N ATOM 0 H LYS A 11 3.583 -10.032 -8.300 1.00 0.43 H new ATOM 0 HA LYS A 11 4.475 -8.530 -10.495 1.00 0.52 H new ATOM 0 HB2 LYS A 11 5.845 -9.743 -8.760 1.00 0.61 H new ATOM 0 HB3 LYS A 11 5.404 -11.259 -9.520 1.00 0.61 H new ATOM 0 HG2 LYS A 11 6.653 -9.153 -11.250 1.00 0.71 H new ATOM 0 HG3 LYS A 11 7.682 -9.970 -10.090 1.00 0.71 H new ATOM 0 HD2 LYS A 11 5.938 -11.398 -12.137 1.00 1.08 H new ATOM 0 HD3 LYS A 11 7.640 -11.049 -12.364 1.00 1.08 H new ATOM 0 HE2 LYS A 11 8.157 -12.379 -10.298 1.00 0.69 H new ATOM 0 HE3 LYS A 11 6.456 -12.776 -10.154 1.00 0.69 H new ATOM 0 HZ1 LYS A 11 7.675 -14.534 -11.262 1.00 1.09 H new ATOM 0 HZ2 LYS A 11 6.549 -13.847 -12.332 1.00 1.09 H new ATOM 0 HZ3 LYS A 11 8.197 -13.462 -12.471 1.00 1.09 H new ATOM 173 N LEU A 12 2.737 -11.108 -11.264 1.00 0.56 N ATOM 174 CA LEU A 12 2.148 -11.910 -12.330 1.00 0.72 C ATOM 175 C LEU A 12 1.628 -11.064 -13.497 1.00 0.94 C ATOM 176 O LEU A 12 1.903 -11.379 -14.655 1.00 1.09 O ATOM 177 CB LEU A 12 1.007 -12.760 -11.763 1.00 0.85 C ATOM 178 CG LEU A 12 0.866 -14.165 -12.359 1.00 1.76 C ATOM 179 CD1 LEU A 12 0.632 -14.100 -13.860 1.00 2.45 C ATOM 180 CD2 LEU A 12 2.096 -15.004 -12.048 1.00 2.34 C ATOM 0 H LEU A 12 2.277 -11.219 -10.360 1.00 0.56 H new ATOM 0 HA LEU A 12 2.940 -12.547 -12.725 1.00 0.72 H new ATOM 0 HB2 LEU A 12 1.149 -12.854 -10.686 1.00 0.85 H new ATOM 0 HB3 LEU A 12 0.070 -12.225 -11.915 1.00 0.85 H new ATOM 0 HG LEU A 12 -0.002 -14.639 -11.901 1.00 1.76 H new ATOM 0 HD11 LEU A 12 0.536 -15.110 -14.257 1.00 2.45 H new ATOM 0 HD12 LEU A 12 -0.282 -13.542 -14.062 1.00 2.45 H new ATOM 0 HD13 LEU A 12 1.475 -13.601 -14.338 1.00 2.45 H new ATOM 0 HD21 LEU A 12 1.977 -15.998 -12.479 1.00 2.34 H new ATOM 0 HD22 LEU A 12 2.979 -14.527 -12.474 1.00 2.34 H new ATOM 0 HD23 LEU A 12 2.215 -15.089 -10.968 1.00 2.34 H new ATOM 261 N GLU A 18 8.315 -4.277 -17.299 1.00 1.16 N ATOM 262 CA GLU A 18 8.341 -3.540 -16.040 1.00 0.97 C ATOM 263 C GLU A 18 9.224 -4.248 -15.014 1.00 0.88 C ATOM 264 O GLU A 18 8.723 -4.780 -14.025 1.00 0.81 O ATOM 265 CB GLU A 18 6.923 -3.388 -15.484 1.00 0.88 C ATOM 266 CG GLU A 18 5.905 -2.929 -16.514 1.00 1.36 C ATOM 267 CD GLU A 18 6.245 -1.580 -17.113 1.00 1.94 C ATOM 268 OE1 GLU A 18 6.390 -0.608 -16.343 1.00 2.69 O ATOM 269 OE2 GLU A 18 6.367 -1.496 -18.352 1.00 2.24 O ATOM 0 HA GLU A 18 8.757 -2.552 -16.236 1.00 0.97 H new ATOM 0 HB2 GLU A 18 6.601 -4.343 -15.070 1.00 0.88 H new ATOM 0 HB3 GLU A 18 6.940 -2.674 -14.661 1.00 0.88 H new ATOM 0 HG2 GLU A 18 5.842 -3.670 -17.311 1.00 1.36 H new ATOM 0 HG3 GLU A 18 4.921 -2.877 -16.048 1.00 1.36 H new ATOM 276 N PRO A 19 10.553 -4.266 -15.233 1.00 0.92 N ATOM 277 CA PRO A 19 11.489 -4.919 -14.314 1.00 0.87 C ATOM 278 C PRO A 19 11.661 -4.134 -13.019 1.00 0.77 C ATOM 279 O PRO A 19 11.959 -4.705 -11.969 1.00 0.77 O ATOM 280 CB PRO A 19 12.797 -4.946 -15.104 1.00 0.98 C ATOM 281 CG PRO A 19 12.703 -3.779 -16.022 1.00 1.05 C ATOM 282 CD PRO A 19 11.247 -3.650 -16.382 1.00 1.05 C ATOM 0 HA PRO A 19 11.144 -5.906 -14.006 1.00 0.87 H new ATOM 0 HB2 PRO A 19 13.661 -4.863 -14.444 1.00 0.98 H new ATOM 0 HB3 PRO A 19 12.907 -5.878 -15.658 1.00 0.98 H new ATOM 0 HG2 PRO A 19 13.067 -2.872 -15.539 1.00 1.05 H new ATOM 0 HG3 PRO A 19 13.313 -3.933 -16.912 1.00 1.05 H new ATOM 0 HD2 PRO A 19 10.957 -2.608 -16.515 1.00 1.05 H new ATOM 0 HD3 PRO A 19 11.017 -4.166 -17.314 1.00 1.05 H new ATOM 290 N GLU A 20 11.467 -2.822 -13.103 1.00 0.72 N ATOM 291 CA GLU A 20 11.597 -1.950 -11.941 1.00 0.64 C ATOM 292 C GLU A 20 10.406 -2.116 -11.005 1.00 0.56 C ATOM 293 O GLU A 20 10.570 -2.293 -9.797 1.00 0.46 O ATOM 294 CB GLU A 20 11.697 -0.489 -12.384 1.00 0.65 C ATOM 295 CG GLU A 20 12.781 -0.232 -13.417 1.00 0.74 C ATOM 296 CD GLU A 20 14.177 -0.377 -12.849 1.00 1.61 C ATOM 297 OE1 GLU A 20 14.717 -1.501 -12.886 1.00 2.56 O ATOM 298 OE2 GLU A 20 14.731 0.634 -12.367 1.00 1.54 O ATOM 0 H GLU A 20 11.219 -2.338 -13.966 1.00 0.72 H new ATOM 0 HA GLU A 20 12.506 -2.230 -11.408 1.00 0.64 H new ATOM 0 HB2 GLU A 20 10.736 -0.177 -12.794 1.00 0.65 H new ATOM 0 HB3 GLU A 20 11.887 0.133 -11.510 1.00 0.65 H new ATOM 0 HG2 GLU A 20 12.657 -0.927 -14.248 1.00 0.74 H new ATOM 0 HG3 GLU A 20 12.661 0.773 -13.821 1.00 0.74 H new ATOM 305 N ARG A 21 9.207 -2.058 -11.575 1.00 0.61 N ATOM 306 CA ARG A 21 7.983 -2.186 -10.796 1.00 0.55 C ATOM 307 C ARG A 21 7.751 -3.622 -10.341 1.00 0.49 C ATOM 308 O ARG A 21 7.244 -3.849 -9.245 1.00 0.40 O ATOM 309 CB ARG A 21 6.781 -1.690 -11.600 1.00 0.63 C ATOM 310 CG ARG A 21 6.250 -0.348 -11.124 1.00 0.78 C ATOM 311 CD ARG A 21 7.243 0.773 -11.381 1.00 1.54 C ATOM 312 NE ARG A 21 7.469 0.986 -12.807 1.00 2.01 N ATOM 313 CZ ARG A 21 8.404 1.796 -13.292 1.00 2.86 C ATOM 314 NH1 ARG A 21 9.207 2.456 -12.468 1.00 3.36 N ATOM 315 NH2 ARG A 21 8.539 1.945 -14.601 1.00 3.57 N ATOM 0 H ARG A 21 9.058 -1.923 -12.575 1.00 0.61 H new ATOM 0 HA ARG A 21 8.098 -1.567 -9.906 1.00 0.55 H new ATOM 0 HB2 ARG A 21 7.063 -1.609 -12.650 1.00 0.63 H new ATOM 0 HB3 ARG A 21 5.983 -2.430 -11.541 1.00 0.63 H new ATOM 0 HG2 ARG A 21 5.312 -0.127 -11.633 1.00 0.78 H new ATOM 0 HG3 ARG A 21 6.029 -0.401 -10.058 1.00 0.78 H new ATOM 0 HD2 ARG A 21 6.874 1.695 -10.931 1.00 1.54 H new ATOM 0 HD3 ARG A 21 8.190 0.537 -10.895 1.00 1.54 H new ATOM 0 HE ARG A 21 6.876 0.485 -13.468 1.00 2.01 H new ATOM 0 HH11 ARG A 21 9.108 2.342 -11.459 1.00 3.36 H new ATOM 0 HH12 ARG A 21 9.924 3.077 -12.843 1.00 3.36 H new ATOM 0 HH21 ARG A 21 7.925 1.438 -15.238 1.00 3.57 H new ATOM 0 HH22 ARG A 21 9.257 2.567 -14.972 1.00 3.57 H new ATOM 329 N LYS A 22 8.114 -4.591 -11.178 1.00 0.56 N ATOM 330 CA LYS A 22 7.932 -5.993 -10.817 1.00 0.54 C ATOM 331 C LYS A 22 8.846 -6.352 -9.654 1.00 0.48 C ATOM 332 O LYS A 22 8.554 -7.260 -8.876 1.00 0.44 O ATOM 333 CB LYS A 22 8.202 -6.916 -12.009 1.00 0.68 C ATOM 334 CG LYS A 22 9.676 -7.182 -12.267 1.00 0.64 C ATOM 335 CD LYS A 22 9.870 -8.220 -13.359 1.00 0.72 C ATOM 336 CE LYS A 22 11.335 -8.592 -13.518 1.00 0.79 C ATOM 337 NZ LYS A 22 11.528 -9.669 -14.526 1.00 1.43 N ATOM 0 H LYS A 22 8.529 -4.435 -12.096 1.00 0.56 H new ATOM 0 HA LYS A 22 6.894 -6.134 -10.516 1.00 0.54 H new ATOM 0 HB2 LYS A 22 7.696 -7.867 -11.840 1.00 0.68 H new ATOM 0 HB3 LYS A 22 7.762 -6.475 -12.903 1.00 0.68 H new ATOM 0 HG2 LYS A 22 10.170 -6.254 -12.554 1.00 0.64 H new ATOM 0 HG3 LYS A 22 10.151 -7.525 -11.348 1.00 0.64 H new ATOM 0 HD2 LYS A 22 9.290 -9.112 -13.122 1.00 0.72 H new ATOM 0 HD3 LYS A 22 9.487 -7.833 -14.303 1.00 0.72 H new ATOM 0 HE2 LYS A 22 11.903 -7.711 -13.815 1.00 0.79 H new ATOM 0 HE3 LYS A 22 11.733 -8.919 -12.557 1.00 0.79 H new ATOM 0 HZ1 LYS A 22 12.540 -9.894 -14.605 1.00 1.43 H new ATOM 0 HZ2 LYS A 22 11.007 -10.519 -14.230 1.00 1.43 H new ATOM 0 HZ3 LYS A 22 11.172 -9.348 -15.449 1.00 1.43 H new ATOM 351 N MET A 23 9.959 -5.633 -9.546 1.00 0.50 N ATOM 352 CA MET A 23 10.912 -5.861 -8.471 1.00 0.48 C ATOM 353 C MET A 23 10.381 -5.276 -7.169 1.00 0.39 C ATOM 354 O MET A 23 10.313 -5.964 -6.153 1.00 0.38 O ATOM 355 CB MET A 23 12.270 -5.243 -8.810 1.00 0.54 C ATOM 356 CG MET A 23 13.307 -5.431 -7.713 1.00 0.56 C ATOM 357 SD MET A 23 14.918 -4.750 -8.148 1.00 1.25 S ATOM 358 CE MET A 23 15.405 -5.846 -9.478 1.00 1.23 C ATOM 0 H MET A 23 10.221 -4.888 -10.191 1.00 0.50 H new ATOM 0 HA MET A 23 11.044 -6.936 -8.351 1.00 0.48 H new ATOM 0 HB2 MET A 23 12.643 -5.687 -9.733 1.00 0.54 H new ATOM 0 HB3 MET A 23 12.140 -4.177 -8.998 1.00 0.54 H new ATOM 0 HG2 MET A 23 12.952 -4.956 -6.799 1.00 0.56 H new ATOM 0 HG3 MET A 23 13.413 -6.494 -7.499 1.00 0.56 H new ATOM 0 HE1 MET A 23 16.481 -5.770 -9.637 1.00 1.23 H new ATOM 0 HE2 MET A 23 15.149 -6.873 -9.216 1.00 1.23 H new ATOM 0 HE3 MET A 23 14.882 -5.564 -10.392 1.00 1.23 H new ATOM 368 N TRP A 24 10.005 -4.000 -7.211 1.00 0.37 N ATOM 369 CA TRP A 24 9.466 -3.326 -6.036 1.00 0.31 C ATOM 370 C TRP A 24 8.194 -4.012 -5.566 1.00 0.25 C ATOM 371 O TRP A 24 7.937 -4.114 -4.366 1.00 0.29 O ATOM 372 CB TRP A 24 9.171 -1.856 -6.343 1.00 0.34 C ATOM 373 CG TRP A 24 10.378 -0.971 -6.283 1.00 0.44 C ATOM 374 CD1 TRP A 24 11.397 -1.030 -5.377 1.00 1.02 C ATOM 375 CD2 TRP A 24 10.683 0.120 -7.158 1.00 0.95 C ATOM 376 NE1 TRP A 24 12.320 -0.049 -5.639 1.00 1.14 N ATOM 377 CE2 TRP A 24 11.905 0.671 -6.727 1.00 1.01 C ATOM 378 CE3 TRP A 24 10.045 0.682 -8.267 1.00 1.77 C ATOM 379 CZ2 TRP A 24 12.497 1.758 -7.364 1.00 1.49 C ATOM 380 CZ3 TRP A 24 10.635 1.761 -8.898 1.00 2.34 C ATOM 381 CH2 TRP A 24 11.851 2.288 -8.445 1.00 2.12 C ATOM 0 H TRP A 24 10.064 -3.415 -8.044 1.00 0.37 H new ATOM 0 HA TRP A 24 10.214 -3.379 -5.245 1.00 0.31 H new ATOM 0 HB2 TRP A 24 8.728 -1.784 -7.336 1.00 0.34 H new ATOM 0 HB3 TRP A 24 8.428 -1.489 -5.635 1.00 0.34 H new ATOM 0 HD1 TRP A 24 11.467 -1.745 -4.571 1.00 1.02 H new ATOM 0 HE1 TRP A 24 13.176 0.117 -5.109 1.00 1.14 H new ATOM 0 HE3 TRP A 24 9.108 0.281 -8.624 1.00 1.77 H new ATOM 0 HZ2 TRP A 24 13.434 2.168 -7.016 1.00 1.49 H new ATOM 0 HZ3 TRP A 24 10.150 2.205 -9.755 1.00 2.34 H new ATOM 0 HH2 TRP A 24 12.287 3.131 -8.961 1.00 2.12 H new ATOM 392 N VAL A 25 7.398 -4.482 -6.520 1.00 0.21 N ATOM 393 CA VAL A 25 6.154 -5.160 -6.201 1.00 0.20 C ATOM 394 C VAL A 25 6.442 -6.535 -5.610 1.00 0.22 C ATOM 395 O VAL A 25 5.718 -7.009 -4.736 1.00 0.22 O ATOM 396 CB VAL A 25 5.236 -5.280 -7.441 1.00 0.25 C ATOM 397 CG1 VAL A 25 5.503 -6.557 -8.226 1.00 0.32 C ATOM 398 CG2 VAL A 25 3.778 -5.191 -7.030 1.00 0.30 C ATOM 0 H VAL A 25 7.594 -4.405 -7.518 1.00 0.21 H new ATOM 0 HA VAL A 25 5.625 -4.560 -5.460 1.00 0.20 H new ATOM 0 HB VAL A 25 5.465 -4.445 -8.103 1.00 0.25 H new ATOM 0 HG11 VAL A 25 4.837 -6.600 -9.088 1.00 0.32 H new ATOM 0 HG12 VAL A 25 6.538 -6.565 -8.567 1.00 0.32 H new ATOM 0 HG13 VAL A 25 5.325 -7.421 -7.586 1.00 0.32 H new ATOM 0 HG21 VAL A 25 3.145 -5.277 -7.913 1.00 0.30 H new ATOM 0 HG22 VAL A 25 3.545 -5.999 -6.337 1.00 0.30 H new ATOM 0 HG23 VAL A 25 3.595 -4.233 -6.544 1.00 0.30 H new ATOM 408 N ASP A 26 7.512 -7.168 -6.088 1.00 0.28 N ATOM 409 CA ASP A 26 7.907 -8.479 -5.587 1.00 0.35 C ATOM 410 C ASP A 26 8.473 -8.341 -4.182 1.00 0.35 C ATOM 411 O ASP A 26 8.330 -9.236 -3.349 1.00 0.38 O ATOM 412 CB ASP A 26 8.943 -9.124 -6.511 1.00 0.45 C ATOM 413 CG ASP A 26 9.376 -10.494 -6.026 1.00 0.53 C ATOM 414 OD1 ASP A 26 8.716 -11.489 -6.391 1.00 0.60 O ATOM 415 OD2 ASP A 26 10.373 -10.572 -5.278 1.00 0.58 O ATOM 0 H ASP A 26 8.118 -6.794 -6.819 1.00 0.28 H new ATOM 0 HA ASP A 26 7.027 -9.122 -5.560 1.00 0.35 H new ATOM 0 HB2 ASP A 26 8.526 -9.212 -7.514 1.00 0.45 H new ATOM 0 HB3 ASP A 26 9.815 -8.475 -6.584 1.00 0.45 H new ATOM 420 N ARG A 27 9.118 -7.205 -3.929 1.00 0.36 N ATOM 421 CA ARG A 27 9.698 -6.925 -2.624 1.00 0.42 C ATOM 422 C ARG A 27 8.597 -6.639 -1.619 1.00 0.34 C ATOM 423 O ARG A 27 8.681 -7.036 -0.457 1.00 0.35 O ATOM 424 CB ARG A 27 10.647 -5.731 -2.704 1.00 0.56 C ATOM 425 CG ARG A 27 11.931 -6.025 -3.456 1.00 0.99 C ATOM 426 CD ARG A 27 12.853 -4.820 -3.464 1.00 1.61 C ATOM 427 NE ARG A 27 13.049 -4.279 -2.123 1.00 2.45 N ATOM 428 CZ ARG A 27 13.903 -4.787 -1.242 1.00 3.19 C ATOM 429 NH1 ARG A 27 14.630 -5.852 -1.553 1.00 3.22 N ATOM 430 NH2 ARG A 27 14.029 -4.232 -0.046 1.00 4.08 N ATOM 0 H ARG A 27 9.251 -6.462 -4.616 1.00 0.36 H new ATOM 0 HA ARG A 27 10.263 -7.799 -2.301 1.00 0.42 H new ATOM 0 HB2 ARG A 27 10.133 -4.901 -3.190 1.00 0.56 H new ATOM 0 HB3 ARG A 27 10.894 -5.406 -1.693 1.00 0.56 H new ATOM 0 HG2 ARG A 27 12.439 -6.872 -2.995 1.00 0.99 H new ATOM 0 HG3 ARG A 27 11.697 -6.313 -4.481 1.00 0.99 H new ATOM 0 HD2 ARG A 27 13.817 -5.103 -3.886 1.00 1.61 H new ATOM 0 HD3 ARG A 27 12.436 -4.048 -4.110 1.00 1.61 H new ATOM 0 HE ARG A 27 12.499 -3.465 -1.847 1.00 2.45 H new ATOM 0 HH11 ARG A 27 14.534 -6.284 -2.472 1.00 3.22 H new ATOM 0 HH12 ARG A 27 15.285 -6.239 -0.873 1.00 3.22 H new ATOM 0 HH21 ARG A 27 13.470 -3.414 0.198 1.00 4.08 H new ATOM 0 HH22 ARG A 27 14.685 -4.622 0.631 1.00 4.08 H new ATOM 444 N TYR A 28 7.567 -5.936 -2.077 1.00 0.31 N ATOM 445 CA TYR A 28 6.435 -5.603 -1.229 1.00 0.35 C ATOM 446 C TYR A 28 5.771 -6.879 -0.727 1.00 0.33 C ATOM 447 O TYR A 28 5.314 -6.947 0.413 1.00 0.38 O ATOM 448 CB TYR A 28 5.432 -4.741 -1.999 1.00 0.41 C ATOM 449 CG TYR A 28 4.128 -4.529 -1.267 1.00 0.72 C ATOM 450 CD1 TYR A 28 4.103 -3.939 -0.010 1.00 0.98 C ATOM 451 CD2 TYR A 28 2.925 -4.926 -1.831 1.00 1.47 C ATOM 452 CE1 TYR A 28 2.912 -3.752 0.664 1.00 1.22 C ATOM 453 CE2 TYR A 28 1.731 -4.744 -1.163 1.00 1.82 C ATOM 454 CZ TYR A 28 1.730 -4.157 0.083 1.00 1.48 C ATOM 455 OH TYR A 28 0.544 -3.977 0.751 1.00 1.87 O ATOM 0 H TYR A 28 7.495 -5.587 -3.033 1.00 0.31 H new ATOM 0 HA TYR A 28 6.789 -5.032 -0.370 1.00 0.35 H new ATOM 0 HB2 TYR A 28 5.884 -3.771 -2.207 1.00 0.41 H new ATOM 0 HB3 TYR A 28 5.227 -5.210 -2.961 1.00 0.41 H new ATOM 0 HD1 TYR A 28 5.029 -3.622 0.447 1.00 0.98 H new ATOM 0 HD2 TYR A 28 2.922 -5.385 -2.809 1.00 1.47 H new ATOM 0 HE1 TYR A 28 2.907 -3.291 1.641 1.00 1.22 H new ATOM 0 HE2 TYR A 28 0.802 -5.060 -1.615 1.00 1.82 H new ATOM 0 HH TYR A 28 0.576 -3.136 1.253 1.00 1.87 H new ATOM 465 N LEU A 29 5.726 -7.888 -1.591 1.00 0.34 N ATOM 466 CA LEU A 29 5.138 -9.172 -1.237 1.00 0.45 C ATOM 467 C LEU A 29 6.072 -9.930 -0.309 1.00 0.41 C ATOM 468 O LEU A 29 5.630 -10.591 0.631 1.00 0.44 O ATOM 469 CB LEU A 29 4.843 -9.988 -2.498 1.00 0.59 C ATOM 470 CG LEU A 29 3.474 -9.725 -3.137 1.00 0.74 C ATOM 471 CD1 LEU A 29 2.370 -10.356 -2.308 1.00 0.97 C ATOM 472 CD2 LEU A 29 3.221 -8.233 -3.293 1.00 1.33 C ATOM 0 H LEU A 29 6.091 -7.840 -2.542 1.00 0.34 H new ATOM 0 HA LEU A 29 4.196 -9.001 -0.717 1.00 0.45 H new ATOM 0 HB2 LEU A 29 5.617 -9.780 -3.236 1.00 0.59 H new ATOM 0 HB3 LEU A 29 4.914 -11.047 -2.252 1.00 0.59 H new ATOM 0 HG LEU A 29 3.475 -10.178 -4.128 1.00 0.74 H new ATOM 0 HD11 LEU A 29 1.406 -10.159 -2.776 1.00 0.97 H new ATOM 0 HD12 LEU A 29 2.531 -11.432 -2.247 1.00 0.97 H new ATOM 0 HD13 LEU A 29 2.380 -9.930 -1.305 1.00 0.97 H new ATOM 0 HD21 LEU A 29 2.243 -8.075 -3.749 1.00 1.33 H new ATOM 0 HD22 LEU A 29 3.246 -7.755 -2.314 1.00 1.33 H new ATOM 0 HD23 LEU A 29 3.992 -7.798 -3.929 1.00 1.33 H new ATOM 484 N ALA A 30 7.369 -9.831 -0.579 1.00 0.41 N ATOM 485 CA ALA A 30 8.367 -10.477 0.256 1.00 0.48 C ATOM 486 C ALA A 30 8.425 -9.770 1.602 1.00 0.38 C ATOM 487 O ALA A 30 8.952 -10.297 2.582 1.00 0.42 O ATOM 488 CB ALA A 30 9.728 -10.456 -0.424 1.00 0.63 C ATOM 0 H ALA A 30 7.750 -9.310 -1.369 1.00 0.41 H new ATOM 0 HA ALA A 30 8.090 -11.520 0.411 1.00 0.48 H new ATOM 0 HB1 ALA A 30 10.462 -10.944 0.217 1.00 0.63 H new ATOM 0 HB2 ALA A 30 9.668 -10.985 -1.375 1.00 0.63 H new ATOM 0 HB3 ALA A 30 10.030 -9.424 -0.601 1.00 0.63 H new ATOM 494 N PHE A 31 7.866 -8.562 1.627 1.00 0.33 N ATOM 495 CA PHE A 31 7.819 -7.750 2.834 1.00 0.37 C ATOM 496 C PHE A 31 6.664 -8.198 3.720 1.00 0.34 C ATOM 497 O PHE A 31 6.788 -8.252 4.942 1.00 0.38 O ATOM 498 CB PHE A 31 7.663 -6.273 2.461 1.00 0.48 C ATOM 499 CG PHE A 31 7.694 -5.336 3.635 1.00 0.65 C ATOM 500 CD1 PHE A 31 8.872 -5.111 4.330 1.00 0.78 C ATOM 501 CD2 PHE A 31 6.546 -4.674 4.036 1.00 0.82 C ATOM 502 CE1 PHE A 31 8.901 -4.244 5.406 1.00 0.95 C ATOM 503 CE2 PHE A 31 6.569 -3.806 5.110 1.00 0.99 C ATOM 504 CZ PHE A 31 7.749 -3.590 5.796 1.00 1.02 C ATOM 0 H PHE A 31 7.435 -8.123 0.813 1.00 0.33 H new ATOM 0 HA PHE A 31 8.750 -7.876 3.386 1.00 0.37 H new ATOM 0 HB2 PHE A 31 8.460 -5.998 1.770 1.00 0.48 H new ATOM 0 HB3 PHE A 31 6.720 -6.141 1.930 1.00 0.48 H new ATOM 0 HD1 PHE A 31 9.776 -5.618 4.028 1.00 0.78 H new ATOM 0 HD2 PHE A 31 5.621 -4.838 3.503 1.00 0.82 H new ATOM 0 HE1 PHE A 31 9.824 -4.078 5.941 1.00 0.95 H new ATOM 0 HE2 PHE A 31 5.666 -3.297 5.413 1.00 0.99 H new ATOM 0 HZ PHE A 31 7.770 -2.911 6.636 1.00 1.02 H new ATOM 514 N THR A 32 5.537 -8.525 3.090 1.00 0.36 N ATOM 515 CA THR A 32 4.360 -8.983 3.817 1.00 0.46 C ATOM 516 C THR A 32 4.613 -10.359 4.423 1.00 0.43 C ATOM 517 O THR A 32 4.150 -10.661 5.524 1.00 0.48 O ATOM 518 CB THR A 32 3.120 -9.051 2.905 1.00 0.57 C ATOM 519 OG1 THR A 32 3.346 -9.978 1.836 1.00 0.56 O ATOM 520 CG2 THR A 32 2.795 -7.681 2.330 1.00 0.60 C ATOM 0 H THR A 32 5.417 -8.480 2.078 1.00 0.36 H new ATOM 0 HA THR A 32 4.167 -8.260 4.610 1.00 0.46 H new ATOM 0 HB THR A 32 2.275 -9.387 3.506 1.00 0.57 H new ATOM 0 HG1 THR A 32 4.274 -9.904 1.530 1.00 0.56 H new ATOM 0 HG21 THR A 32 1.916 -7.754 1.690 1.00 0.60 H new ATOM 0 HG22 THR A 32 2.594 -6.983 3.143 1.00 0.60 H new ATOM 0 HG23 THR A 32 3.641 -7.322 1.745 1.00 0.60 H new ATOM 528 N GLU A 33 5.355 -11.188 3.693 1.00 0.43 N ATOM 529 CA GLU A 33 5.687 -12.531 4.152 1.00 0.50 C ATOM 530 C GLU A 33 6.788 -12.476 5.203 1.00 0.45 C ATOM 531 O GLU A 33 6.904 -13.365 6.046 1.00 0.46 O ATOM 532 CB GLU A 33 6.147 -13.394 2.977 1.00 0.64 C ATOM 533 CG GLU A 33 5.140 -13.475 1.843 1.00 0.47 C ATOM 534 CD GLU A 33 5.725 -14.112 0.598 1.00 1.01 C ATOM 535 OE1 GLU A 33 6.365 -13.388 -0.193 1.00 1.45 O ATOM 536 OE2 GLU A 33 5.547 -15.334 0.416 1.00 1.10 O ATOM 0 H GLU A 33 5.738 -10.951 2.778 1.00 0.43 H new ATOM 0 HA GLU A 33 4.793 -12.972 4.594 1.00 0.50 H new ATOM 0 HB2 GLU A 33 7.084 -12.994 2.590 1.00 0.64 H new ATOM 0 HB3 GLU A 33 6.355 -14.401 3.338 1.00 0.64 H new ATOM 0 HG2 GLU A 33 4.274 -14.050 2.170 1.00 0.47 H new ATOM 0 HG3 GLU A 33 4.785 -12.473 1.603 1.00 0.47 H new ATOM 543 N GLU A 34 7.596 -11.422 5.139 1.00 0.45 N ATOM 544 CA GLU A 34 8.699 -11.235 6.073 1.00 0.52 C ATOM 545 C GLU A 34 8.202 -11.223 7.516 1.00 0.49 C ATOM 546 O GLU A 34 8.744 -11.921 8.374 1.00 0.55 O ATOM 547 CB GLU A 34 9.435 -9.929 5.763 1.00 0.61 C ATOM 548 CG GLU A 34 10.673 -9.710 6.615 1.00 0.73 C ATOM 549 CD GLU A 34 11.741 -10.757 6.367 1.00 1.37 C ATOM 550 OE1 GLU A 34 12.485 -10.622 5.373 1.00 1.28 O ATOM 551 OE2 GLU A 34 11.831 -11.713 7.164 1.00 2.24 O ATOM 0 H GLU A 34 7.506 -10.680 4.445 1.00 0.45 H new ATOM 0 HA GLU A 34 9.387 -12.073 5.956 1.00 0.52 H new ATOM 0 HB2 GLU A 34 9.723 -9.925 4.712 1.00 0.61 H new ATOM 0 HB3 GLU A 34 8.751 -9.093 5.910 1.00 0.61 H new ATOM 0 HG2 GLU A 34 11.083 -8.721 6.407 1.00 0.73 H new ATOM 0 HG3 GLU A 34 10.392 -9.724 7.668 1.00 0.73 H new ATOM 558 N LYS A 35 7.173 -10.424 7.778 1.00 0.47 N ATOM 559 CA LYS A 35 6.607 -10.323 9.119 1.00 0.53 C ATOM 560 C LYS A 35 5.446 -11.293 9.297 1.00 0.45 C ATOM 561 O LYS A 35 4.725 -11.231 10.294 1.00 0.55 O ATOM 562 CB LYS A 35 6.126 -8.897 9.394 1.00 0.74 C ATOM 563 CG LYS A 35 7.201 -7.838 9.208 1.00 0.97 C ATOM 564 CD LYS A 35 7.216 -7.287 7.791 1.00 1.26 C ATOM 565 CE LYS A 35 6.014 -6.396 7.517 1.00 2.35 C ATOM 566 NZ LYS A 35 4.844 -7.169 7.014 1.00 3.30 N ATOM 0 H LYS A 35 6.714 -9.838 7.081 1.00 0.47 H new ATOM 0 HA LYS A 35 7.393 -10.581 9.829 1.00 0.53 H new ATOM 0 HB2 LYS A 35 5.290 -8.672 8.732 1.00 0.74 H new ATOM 0 HB3 LYS A 35 5.748 -8.842 10.415 1.00 0.74 H new ATOM 0 HG2 LYS A 35 7.033 -7.023 9.912 1.00 0.97 H new ATOM 0 HG3 LYS A 35 8.176 -8.266 9.441 1.00 0.97 H new ATOM 0 HD2 LYS A 35 8.133 -6.719 7.632 1.00 1.26 H new ATOM 0 HD3 LYS A 35 7.225 -8.113 7.080 1.00 1.26 H new ATOM 0 HE2 LYS A 35 5.736 -5.873 8.432 1.00 2.35 H new ATOM 0 HE3 LYS A 35 6.287 -5.636 6.785 1.00 2.35 H new ATOM 0 HZ1 LYS A 35 4.524 -6.766 6.110 1.00 3.30 H new ATOM 0 HZ2 LYS A 35 5.119 -8.162 6.872 1.00 3.30 H new ATOM 0 HZ3 LYS A 35 4.071 -7.120 7.708 1.00 3.30 H new ATOM 580 N ALA A 36 5.272 -12.192 8.330 1.00 0.43 N ATOM 581 CA ALA A 36 4.189 -13.168 8.380 1.00 0.63 C ATOM 582 C ALA A 36 2.843 -12.465 8.529 1.00 0.78 C ATOM 583 O ALA A 36 1.879 -13.042 9.034 1.00 0.99 O ATOM 584 CB ALA A 36 4.411 -14.147 9.524 1.00 0.74 C ATOM 0 H ALA A 36 5.867 -12.264 7.504 1.00 0.43 H new ATOM 0 HA ALA A 36 4.182 -13.727 7.444 1.00 0.63 H new ATOM 0 HB1 ALA A 36 3.595 -14.869 9.549 1.00 0.74 H new ATOM 0 HB2 ALA A 36 5.355 -14.671 9.376 1.00 0.74 H new ATOM 0 HB3 ALA A 36 4.442 -13.603 10.468 1.00 0.74 H new ATOM 590 N MET A 37 2.792 -11.214 8.078 1.00 0.79 N ATOM 591 CA MET A 37 1.577 -10.411 8.157 1.00 1.04 C ATOM 592 C MET A 37 0.431 -11.072 7.400 1.00 1.22 C ATOM 593 O MET A 37 -0.738 -10.868 7.727 1.00 1.43 O ATOM 594 CB MET A 37 1.834 -9.010 7.594 1.00 1.08 C ATOM 595 CG MET A 37 0.663 -8.057 7.771 1.00 1.38 C ATOM 596 SD MET A 37 -0.088 -7.579 6.203 1.00 2.05 S ATOM 597 CE MET A 37 1.288 -6.763 5.399 1.00 1.97 C ATOM 0 H MET A 37 3.584 -10.733 7.652 1.00 0.79 H new ATOM 0 HA MET A 37 1.293 -10.332 9.206 1.00 1.04 H new ATOM 0 HB2 MET A 37 2.712 -8.587 8.082 1.00 1.08 H new ATOM 0 HB3 MET A 37 2.068 -9.092 6.532 1.00 1.08 H new ATOM 0 HG2 MET A 37 -0.091 -8.528 8.402 1.00 1.38 H new ATOM 0 HG3 MET A 37 1.003 -7.163 8.294 1.00 1.38 H new ATOM 0 HE1 MET A 37 0.930 -6.229 4.519 1.00 1.97 H new ATOM 0 HE2 MET A 37 1.747 -6.057 6.091 1.00 1.97 H new ATOM 0 HE3 MET A 37 2.026 -7.506 5.097 1.00 1.97 H new ATOM 607 N GLY A 38 0.769 -11.863 6.388 1.00 1.22 N ATOM 608 CA GLY A 38 -0.251 -12.534 5.608 1.00 1.49 C ATOM 609 C GLY A 38 0.309 -13.229 4.385 1.00 1.30 C ATOM 610 O GLY A 38 0.513 -12.603 3.345 1.00 1.95 O ATOM 0 H GLY A 38 1.728 -12.050 6.095 1.00 1.22 H new ATOM 0 HA2 GLY A 38 -0.759 -13.266 6.236 1.00 1.49 H new ATOM 0 HA3 GLY A 38 -1.001 -11.807 5.296 1.00 1.49 H new ATOM 614 N MET A 39 0.553 -14.527 4.512 1.00 1.05 N ATOM 615 CA MET A 39 1.086 -15.320 3.411 1.00 0.97 C ATOM 616 C MET A 39 0.056 -15.442 2.290 1.00 0.81 C ATOM 617 O MET A 39 0.335 -15.999 1.227 1.00 0.93 O ATOM 618 CB MET A 39 1.487 -16.702 3.926 1.00 1.47 C ATOM 619 CG MET A 39 2.296 -17.522 2.936 1.00 1.62 C ATOM 620 SD MET A 39 3.137 -18.912 3.717 1.00 2.14 S ATOM 621 CE MET A 39 1.773 -19.716 4.553 1.00 2.33 C ATOM 0 H MET A 39 0.390 -15.055 5.369 1.00 1.05 H new ATOM 0 HA MET A 39 1.967 -14.822 3.005 1.00 0.97 H new ATOM 0 HB2 MET A 39 2.066 -16.583 4.842 1.00 1.47 H new ATOM 0 HB3 MET A 39 0.586 -17.256 4.189 1.00 1.47 H new ATOM 0 HG2 MET A 39 1.636 -17.894 2.152 1.00 1.62 H new ATOM 0 HG3 MET A 39 3.033 -16.880 2.454 1.00 1.62 H new ATOM 0 HE1 MET A 39 2.083 -20.707 4.885 1.00 2.33 H new ATOM 0 HE2 MET A 39 1.474 -19.121 5.416 1.00 2.33 H new ATOM 0 HE3 MET A 39 0.931 -19.810 3.867 1.00 2.33 H new ATOM 631 N THR A 40 -1.139 -14.916 2.541 1.00 0.66 N ATOM 632 CA THR A 40 -2.218 -14.948 1.564 1.00 0.60 C ATOM 633 C THR A 40 -2.500 -13.546 1.031 1.00 0.51 C ATOM 634 O THR A 40 -1.869 -12.576 1.453 1.00 0.46 O ATOM 635 CB THR A 40 -3.507 -15.527 2.181 1.00 0.70 C ATOM 636 OG1 THR A 40 -4.547 -15.579 1.197 1.00 1.26 O ATOM 637 CG2 THR A 40 -3.965 -14.688 3.365 1.00 0.85 C ATOM 0 H THR A 40 -1.384 -14.460 3.420 1.00 0.66 H new ATOM 0 HA THR A 40 -1.900 -15.591 0.743 1.00 0.60 H new ATOM 0 HB THR A 40 -3.291 -16.536 2.531 1.00 0.70 H new ATOM 0 HG1 THR A 40 -5.150 -14.815 1.317 1.00 1.26 H new ATOM 0 HG21 THR A 40 -4.876 -15.116 3.784 1.00 0.85 H new ATOM 0 HG22 THR A 40 -3.186 -14.678 4.127 1.00 0.85 H new ATOM 0 HG23 THR A 40 -4.162 -13.668 3.034 1.00 0.85 H new ATOM 645 N ASN A 41 -3.442 -13.443 0.100 1.00 0.52 N ATOM 646 CA ASN A 41 -3.803 -12.155 -0.479 1.00 0.46 C ATOM 647 C ASN A 41 -4.380 -11.226 0.584 1.00 0.49 C ATOM 648 O ASN A 41 -5.226 -11.629 1.382 1.00 0.58 O ATOM 649 CB ASN A 41 -4.810 -12.347 -1.612 1.00 0.49 C ATOM 650 CG ASN A 41 -5.810 -13.444 -1.312 1.00 1.34 C ATOM 651 OD1 ASN A 41 -6.854 -13.201 -0.711 1.00 2.35 O ATOM 652 ND2 ASN A 41 -5.492 -14.663 -1.732 1.00 1.61 N ATOM 0 H ASN A 41 -3.968 -14.235 -0.269 1.00 0.52 H new ATOM 0 HA ASN A 41 -2.900 -11.697 -0.882 1.00 0.46 H new ATOM 0 HB2 ASN A 41 -5.342 -11.411 -1.785 1.00 0.49 H new ATOM 0 HB3 ASN A 41 -4.277 -12.586 -2.532 1.00 0.49 H new ATOM 0 HD21 ASN A 41 -6.126 -15.443 -1.559 1.00 1.61 H new ATOM 0 HD22 ASN A 41 -4.614 -14.819 -2.227 1.00 1.61 H new ATOM 659 N LEU A 42 -3.916 -9.982 0.587 1.00 0.44 N ATOM 660 CA LEU A 42 -4.378 -8.996 1.557 1.00 0.52 C ATOM 661 C LEU A 42 -4.557 -7.614 0.910 1.00 0.49 C ATOM 662 O LEU A 42 -5.625 -7.014 1.034 1.00 0.60 O ATOM 663 CB LEU A 42 -3.406 -8.925 2.744 1.00 0.57 C ATOM 664 CG LEU A 42 -3.899 -8.133 3.958 1.00 1.60 C ATOM 665 CD1 LEU A 42 -3.253 -8.659 5.229 1.00 2.08 C ATOM 666 CD2 LEU A 42 -3.600 -6.651 3.791 1.00 2.15 C ATOM 0 H LEU A 42 -3.220 -9.632 -0.071 1.00 0.44 H new ATOM 0 HA LEU A 42 -5.354 -9.312 1.924 1.00 0.52 H new ATOM 0 HB2 LEU A 42 -3.178 -9.941 3.065 1.00 0.57 H new ATOM 0 HB3 LEU A 42 -2.472 -8.482 2.399 1.00 0.57 H new ATOM 0 HG LEU A 42 -4.979 -8.260 4.034 1.00 1.60 H new ATOM 0 HD11 LEU A 42 -3.613 -8.086 6.084 1.00 2.08 H new ATOM 0 HD12 LEU A 42 -3.512 -9.710 5.361 1.00 2.08 H new ATOM 0 HD13 LEU A 42 -2.170 -8.559 5.155 1.00 2.08 H new ATOM 0 HD21 LEU A 42 -3.959 -6.107 4.665 1.00 2.15 H new ATOM 0 HD22 LEU A 42 -2.524 -6.506 3.689 1.00 2.15 H new ATOM 0 HD23 LEU A 42 -4.102 -6.277 2.899 1.00 2.15 H new ATOM 678 N PRO A 43 -3.528 -7.080 0.211 1.00 0.38 N ATOM 679 CA PRO A 43 -3.624 -5.767 -0.434 1.00 0.40 C ATOM 680 C PRO A 43 -4.384 -5.809 -1.760 1.00 0.37 C ATOM 681 O PRO A 43 -4.121 -5.011 -2.660 1.00 0.35 O ATOM 682 CB PRO A 43 -2.162 -5.393 -0.668 1.00 0.40 C ATOM 683 CG PRO A 43 -1.465 -6.694 -0.852 1.00 0.32 C ATOM 684 CD PRO A 43 -2.198 -7.694 0.000 1.00 0.34 C ATOM 0 HA PRO A 43 -4.177 -5.053 0.177 1.00 0.40 H new ATOM 0 HB2 PRO A 43 -2.052 -4.757 -1.546 1.00 0.40 H new ATOM 0 HB3 PRO A 43 -1.754 -4.841 0.179 1.00 0.40 H new ATOM 0 HG2 PRO A 43 -1.475 -6.995 -1.900 1.00 0.32 H new ATOM 0 HG3 PRO A 43 -0.420 -6.620 -0.552 1.00 0.32 H new ATOM 0 HD2 PRO A 43 -2.279 -8.660 -0.499 1.00 0.34 H new ATOM 0 HD3 PRO A 43 -1.683 -7.866 0.945 1.00 0.34 H new ATOM 692 N ALA A 44 -5.330 -6.738 -1.873 1.00 0.42 N ATOM 693 CA ALA A 44 -6.128 -6.872 -3.089 1.00 0.42 C ATOM 694 C ALA A 44 -7.468 -6.160 -2.941 1.00 0.47 C ATOM 695 O ALA A 44 -8.009 -6.062 -1.839 1.00 0.59 O ATOM 696 CB ALA A 44 -6.340 -8.341 -3.422 1.00 0.52 C ATOM 0 H ALA A 44 -5.562 -7.408 -1.139 1.00 0.42 H new ATOM 0 HA ALA A 44 -5.584 -6.403 -3.909 1.00 0.42 H new ATOM 0 HB1 ALA A 44 -6.936 -8.426 -4.330 1.00 0.52 H new ATOM 0 HB2 ALA A 44 -5.374 -8.822 -3.576 1.00 0.52 H new ATOM 0 HB3 ALA A 44 -6.862 -8.829 -2.599 1.00 0.52 H new ATOM 702 N VAL A 45 -8.003 -5.665 -4.054 1.00 0.42 N ATOM 703 CA VAL A 45 -9.279 -4.958 -4.032 1.00 0.47 C ATOM 704 C VAL A 45 -10.418 -5.841 -4.536 1.00 0.53 C ATOM 705 O VAL A 45 -10.236 -7.036 -4.769 1.00 0.55 O ATOM 706 CB VAL A 45 -9.227 -3.660 -4.864 1.00 0.41 C ATOM 707 CG1 VAL A 45 -8.111 -2.756 -4.367 1.00 0.45 C ATOM 708 CG2 VAL A 45 -9.056 -3.963 -6.344 1.00 0.34 C ATOM 0 H VAL A 45 -7.575 -5.740 -4.977 1.00 0.42 H new ATOM 0 HA VAL A 45 -9.470 -4.697 -2.991 1.00 0.47 H new ATOM 0 HB VAL A 45 -10.176 -3.139 -4.739 1.00 0.41 H new ATOM 0 HG11 VAL A 45 -8.088 -1.845 -4.964 1.00 0.45 H new ATOM 0 HG12 VAL A 45 -8.288 -2.501 -3.322 1.00 0.45 H new ATOM 0 HG13 VAL A 45 -7.156 -3.274 -4.457 1.00 0.45 H new ATOM 0 HG21 VAL A 45 -9.023 -3.029 -6.905 1.00 0.34 H new ATOM 0 HG22 VAL A 45 -8.127 -4.512 -6.498 1.00 0.34 H new ATOM 0 HG23 VAL A 45 -9.895 -4.565 -6.691 1.00 0.34 H new ATOM 718 N GLY A 46 -11.591 -5.234 -4.703 1.00 0.64 N ATOM 719 CA GLY A 46 -12.763 -5.960 -5.160 1.00 0.75 C ATOM 720 C GLY A 46 -12.521 -6.803 -6.400 1.00 0.74 C ATOM 721 O GLY A 46 -12.466 -8.031 -6.319 1.00 0.92 O ATOM 0 H GLY A 46 -11.750 -4.242 -4.528 1.00 0.64 H new ATOM 0 HA2 GLY A 46 -13.114 -6.607 -4.356 1.00 0.75 H new ATOM 0 HA3 GLY A 46 -13.561 -5.248 -5.367 1.00 0.75 H new ATOM 725 N ARG A 47 -12.379 -6.148 -7.548 1.00 0.63 N ATOM 726 CA ARG A 47 -12.168 -6.855 -8.808 1.00 0.64 C ATOM 727 C ARG A 47 -10.712 -7.286 -8.983 1.00 0.67 C ATOM 728 O ARG A 47 -10.310 -8.345 -8.502 1.00 1.20 O ATOM 729 CB ARG A 47 -12.606 -5.981 -9.985 1.00 0.63 C ATOM 730 CG ARG A 47 -14.002 -5.404 -9.823 1.00 0.39 C ATOM 731 CD ARG A 47 -14.480 -4.734 -11.099 1.00 1.19 C ATOM 732 NE ARG A 47 -14.885 -5.705 -12.109 1.00 1.66 N ATOM 733 CZ ARG A 47 -14.593 -5.590 -13.400 1.00 2.40 C ATOM 734 NH1 ARG A 47 -13.873 -4.564 -13.832 1.00 3.06 N ATOM 735 NH2 ARG A 47 -15.017 -6.505 -14.259 1.00 2.81 N ATOM 0 H ARG A 47 -12.406 -5.132 -7.633 1.00 0.63 H new ATOM 0 HA ARG A 47 -12.777 -7.758 -8.784 1.00 0.64 H new ATOM 0 HB2 ARG A 47 -11.895 -5.164 -10.105 1.00 0.63 H new ATOM 0 HB3 ARG A 47 -12.569 -6.572 -10.900 1.00 0.63 H new ATOM 0 HG2 ARG A 47 -14.695 -6.199 -9.547 1.00 0.39 H new ATOM 0 HG3 ARG A 47 -14.005 -4.680 -9.008 1.00 0.39 H new ATOM 0 HD2 ARG A 47 -15.319 -4.077 -10.871 1.00 1.19 H new ATOM 0 HD3 ARG A 47 -13.684 -4.106 -11.499 1.00 1.19 H new ATOM 0 HE ARG A 47 -15.422 -6.518 -11.807 1.00 1.66 H new ATOM 0 HH11 ARG A 47 -13.541 -3.860 -13.173 1.00 3.06 H new ATOM 0 HH12 ARG A 47 -13.651 -4.479 -14.824 1.00 3.06 H new ATOM 0 HH21 ARG A 47 -15.568 -7.298 -13.929 1.00 2.81 H new ATOM 0 HH22 ARG A 47 -14.793 -6.417 -15.250 1.00 2.81 H new ATOM 749 N LYS A 48 -9.929 -6.463 -9.674 1.00 0.69 N ATOM 750 CA LYS A 48 -8.524 -6.768 -9.924 1.00 0.62 C ATOM 751 C LYS A 48 -7.751 -6.939 -8.614 1.00 0.51 C ATOM 752 O LYS A 48 -8.215 -6.515 -7.557 1.00 0.48 O ATOM 753 CB LYS A 48 -7.898 -5.664 -10.783 1.00 0.67 C ATOM 754 CG LYS A 48 -8.034 -5.903 -12.282 1.00 0.84 C ATOM 755 CD LYS A 48 -9.489 -6.038 -12.706 1.00 1.04 C ATOM 756 CE LYS A 48 -9.609 -6.479 -14.156 1.00 1.00 C ATOM 757 NZ LYS A 48 -8.981 -5.504 -15.089 1.00 1.56 N ATOM 0 H LYS A 48 -10.244 -5.578 -10.071 1.00 0.69 H new ATOM 0 HA LYS A 48 -8.467 -7.713 -10.464 1.00 0.62 H new ATOM 0 HB2 LYS A 48 -8.365 -4.712 -10.532 1.00 0.67 H new ATOM 0 HB3 LYS A 48 -6.841 -5.576 -10.532 1.00 0.67 H new ATOM 0 HG2 LYS A 48 -7.573 -5.078 -12.824 1.00 0.84 H new ATOM 0 HG3 LYS A 48 -7.491 -6.807 -12.556 1.00 0.84 H new ATOM 0 HD2 LYS A 48 -9.991 -6.760 -12.062 1.00 1.04 H new ATOM 0 HD3 LYS A 48 -9.998 -5.084 -12.572 1.00 1.04 H new ATOM 0 HE2 LYS A 48 -9.137 -7.454 -14.279 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -10.662 -6.600 -14.412 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -9.173 -5.790 -16.070 1.00 1.56 H new ATOM 0 HZ2 LYS A 48 -9.377 -4.557 -14.920 1.00 1.56 H new ATOM 0 HZ3 LYS A 48 -7.954 -5.483 -14.929 1.00 1.56 H new ATOM 771 N PRO A 49 -6.564 -7.579 -8.663 1.00 0.49 N ATOM 772 CA PRO A 49 -5.742 -7.805 -7.467 1.00 0.44 C ATOM 773 C PRO A 49 -5.190 -6.502 -6.876 1.00 0.43 C ATOM 774 O PRO A 49 -5.946 -5.565 -6.617 1.00 0.63 O ATOM 775 CB PRO A 49 -4.618 -8.716 -7.977 1.00 0.52 C ATOM 776 CG PRO A 49 -4.529 -8.431 -9.433 1.00 0.59 C ATOM 777 CD PRO A 49 -5.933 -8.138 -9.877 1.00 0.58 C ATOM 0 HA PRO A 49 -6.314 -8.245 -6.650 1.00 0.44 H new ATOM 0 HB2 PRO A 49 -3.675 -8.501 -7.474 1.00 0.52 H new ATOM 0 HB3 PRO A 49 -4.846 -9.766 -7.793 1.00 0.52 H new ATOM 0 HG2 PRO A 49 -3.872 -7.583 -9.626 1.00 0.59 H new ATOM 0 HG3 PRO A 49 -4.117 -9.283 -9.974 1.00 0.59 H new ATOM 0 HD2 PRO A 49 -5.953 -7.428 -10.704 1.00 0.58 H new ATOM 0 HD3 PRO A 49 -6.444 -9.039 -10.217 1.00 0.58 H new ATOM 785 N LEU A 50 -3.877 -6.443 -6.661 1.00 0.51 N ATOM 786 CA LEU A 50 -3.246 -5.261 -6.083 1.00 0.55 C ATOM 787 C LEU A 50 -3.256 -4.080 -7.047 1.00 0.67 C ATOM 788 O LEU A 50 -3.695 -2.987 -6.690 1.00 1.57 O ATOM 789 CB LEU A 50 -1.802 -5.568 -5.680 1.00 0.64 C ATOM 790 CG LEU A 50 -1.633 -6.521 -4.496 1.00 0.45 C ATOM 791 CD1 LEU A 50 -2.027 -7.940 -4.878 1.00 0.69 C ATOM 792 CD2 LEU A 50 -0.198 -6.482 -3.994 1.00 0.81 C ATOM 0 H LEU A 50 -3.230 -7.201 -6.879 1.00 0.51 H new ATOM 0 HA LEU A 50 -3.827 -4.989 -5.202 1.00 0.55 H new ATOM 0 HB2 LEU A 50 -1.286 -5.993 -6.541 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -1.303 -4.629 -5.441 1.00 0.64 H new ATOM 0 HG LEU A 50 -2.295 -6.194 -3.694 1.00 0.45 H new ATOM 0 HD11 LEU A 50 -1.897 -8.597 -4.018 1.00 0.69 H new ATOM 0 HD12 LEU A 50 -3.070 -7.956 -5.193 1.00 0.69 H new ATOM 0 HD13 LEU A 50 -1.396 -8.285 -5.697 1.00 0.69 H new ATOM 0 HD21 LEU A 50 -0.089 -7.164 -3.151 1.00 0.81 H new ATOM 0 HD22 LEU A 50 0.476 -6.785 -4.795 1.00 0.81 H new ATOM 0 HD23 LEU A 50 0.049 -5.469 -3.675 1.00 0.81 H new ATOM 804 N ASP A 51 -2.762 -4.303 -8.263 1.00 0.50 N ATOM 805 CA ASP A 51 -2.695 -3.244 -9.266 1.00 0.46 C ATOM 806 C ASP A 51 -1.822 -2.102 -8.758 1.00 0.42 C ATOM 807 O ASP A 51 -2.097 -0.933 -9.022 1.00 0.41 O ATOM 808 CB ASP A 51 -4.097 -2.721 -9.599 1.00 0.45 C ATOM 809 CG ASP A 51 -5.052 -3.829 -9.993 1.00 0.49 C ATOM 810 OD1 ASP A 51 -5.694 -4.405 -9.090 1.00 0.63 O ATOM 811 OD2 ASP A 51 -5.157 -4.120 -11.203 1.00 0.53 O ATOM 0 H ASP A 51 -2.403 -5.205 -8.576 1.00 0.50 H new ATOM 0 HA ASP A 51 -2.256 -3.657 -10.174 1.00 0.46 H new ATOM 0 HB2 ASP A 51 -4.498 -2.191 -8.735 1.00 0.45 H new ATOM 0 HB3 ASP A 51 -4.028 -1.999 -10.413 1.00 0.45 H new ATOM 816 N LEU A 52 -0.767 -2.457 -8.027 1.00 0.40 N ATOM 817 CA LEU A 52 0.147 -1.469 -7.464 1.00 0.37 C ATOM 818 C LEU A 52 0.722 -0.563 -8.547 1.00 0.36 C ATOM 819 O LEU A 52 0.857 0.641 -8.345 1.00 0.43 O ATOM 820 CB LEU A 52 1.287 -2.157 -6.712 1.00 0.39 C ATOM 821 CG LEU A 52 2.228 -1.207 -5.967 1.00 0.45 C ATOM 822 CD1 LEU A 52 1.541 -0.629 -4.739 1.00 1.06 C ATOM 823 CD2 LEU A 52 3.512 -1.921 -5.576 1.00 1.29 C ATOM 0 H LEU A 52 -0.525 -3.424 -7.811 1.00 0.40 H new ATOM 0 HA LEU A 52 -0.424 -0.855 -6.768 1.00 0.37 H new ATOM 0 HB2 LEU A 52 0.860 -2.859 -5.996 1.00 0.39 H new ATOM 0 HB3 LEU A 52 1.871 -2.742 -7.422 1.00 0.39 H new ATOM 0 HG LEU A 52 2.485 -0.385 -6.635 1.00 0.45 H new ATOM 0 HD11 LEU A 52 2.225 0.044 -4.222 1.00 1.06 H new ATOM 0 HD12 LEU A 52 0.652 -0.078 -5.045 1.00 1.06 H new ATOM 0 HD13 LEU A 52 1.253 -1.439 -4.068 1.00 1.06 H new ATOM 0 HD21 LEU A 52 4.167 -1.228 -5.048 1.00 1.29 H new ATOM 0 HD22 LEU A 52 3.276 -2.764 -4.927 1.00 1.29 H new ATOM 0 HD23 LEU A 52 4.015 -2.283 -6.473 1.00 1.29 H new ATOM 835 N TYR A 53 1.072 -1.147 -9.688 1.00 0.32 N ATOM 836 CA TYR A 53 1.630 -0.378 -10.795 1.00 0.33 C ATOM 837 C TYR A 53 0.619 0.644 -11.304 1.00 0.32 C ATOM 838 O TYR A 53 0.939 1.821 -11.467 1.00 0.32 O ATOM 839 CB TYR A 53 2.056 -1.307 -11.935 1.00 0.38 C ATOM 840 CG TYR A 53 2.390 -0.581 -13.222 1.00 0.32 C ATOM 841 CD1 TYR A 53 3.400 0.373 -13.264 1.00 0.45 C ATOM 842 CD2 TYR A 53 1.691 -0.847 -14.392 1.00 0.32 C ATOM 843 CE1 TYR A 53 3.704 1.039 -14.436 1.00 0.51 C ATOM 844 CE2 TYR A 53 1.990 -0.185 -15.568 1.00 0.36 C ATOM 845 CZ TYR A 53 2.997 0.756 -15.584 1.00 0.43 C ATOM 846 OH TYR A 53 3.297 1.418 -16.753 1.00 0.54 O ATOM 0 H TYR A 53 0.980 -2.146 -9.870 1.00 0.32 H new ATOM 0 HA TYR A 53 2.509 0.153 -10.429 1.00 0.33 H new ATOM 0 HB2 TYR A 53 2.926 -1.882 -11.617 1.00 0.38 H new ATOM 0 HB3 TYR A 53 1.255 -2.021 -12.128 1.00 0.38 H new ATOM 0 HD1 TYR A 53 3.956 0.597 -12.366 1.00 0.45 H new ATOM 0 HD2 TYR A 53 0.901 -1.583 -14.383 1.00 0.32 H new ATOM 0 HE1 TYR A 53 4.492 1.778 -14.452 1.00 0.51 H new ATOM 0 HE2 TYR A 53 1.437 -0.404 -16.470 1.00 0.36 H new ATOM 0 HH TYR A 53 2.707 1.101 -17.469 1.00 0.54 H new ATOM 856 N ARG A 54 -0.601 0.183 -11.552 1.00 0.33 N ATOM 857 CA ARG A 54 -1.661 1.054 -12.042 1.00 0.34 C ATOM 858 C ARG A 54 -2.051 2.070 -10.974 1.00 0.32 C ATOM 859 O ARG A 54 -2.541 3.155 -11.283 1.00 0.32 O ATOM 860 CB ARG A 54 -2.883 0.227 -12.448 1.00 0.38 C ATOM 861 CG ARG A 54 -2.529 -1.112 -13.074 1.00 0.40 C ATOM 862 CD ARG A 54 -3.755 -1.806 -13.642 1.00 0.45 C ATOM 863 NE ARG A 54 -4.258 -1.136 -14.837 1.00 0.98 N ATOM 864 CZ ARG A 54 -5.302 -1.563 -15.539 1.00 1.19 C ATOM 865 NH1 ARG A 54 -5.963 -2.650 -15.160 1.00 1.28 N ATOM 866 NH2 ARG A 54 -5.689 -0.903 -16.621 1.00 1.85 N ATOM 0 H ARG A 54 -0.880 -0.789 -11.422 1.00 0.33 H new ATOM 0 HA ARG A 54 -1.291 1.589 -12.917 1.00 0.34 H new ATOM 0 HB2 ARG A 54 -3.504 0.055 -11.569 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -3.482 0.802 -13.154 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -1.796 -0.961 -13.866 1.00 0.40 H new ATOM 0 HG3 ARG A 54 -2.062 -1.752 -12.325 1.00 0.40 H new ATOM 0 HD2 ARG A 54 -3.507 -2.840 -13.883 1.00 0.45 H new ATOM 0 HD3 ARG A 54 -4.539 -1.834 -12.885 1.00 0.45 H new ATOM 0 HE ARG A 54 -3.781 -0.291 -15.151 1.00 0.98 H new ATOM 0 HH11 ARG A 54 -5.670 -3.161 -14.327 1.00 1.28 H new ATOM 0 HH12 ARG A 54 -6.764 -2.975 -15.702 1.00 1.28 H new ATOM 0 HH21 ARG A 54 -5.185 -0.066 -16.916 1.00 1.85 H new ATOM 0 HH22 ARG A 54 -6.491 -1.232 -17.159 1.00 1.85 H new ATOM 880 N LEU A 55 -1.822 1.707 -9.717 1.00 0.30 N ATOM 881 CA LEU A 55 -2.143 2.580 -8.594 1.00 0.28 C ATOM 882 C LEU A 55 -0.992 3.540 -8.321 1.00 0.26 C ATOM 883 O LEU A 55 -1.182 4.602 -7.728 1.00 0.25 O ATOM 884 CB LEU A 55 -2.447 1.745 -7.346 1.00 0.32 C ATOM 885 CG LEU A 55 -2.739 2.544 -6.071 1.00 0.31 C ATOM 886 CD1 LEU A 55 -3.907 3.496 -6.284 1.00 0.88 C ATOM 887 CD2 LEU A 55 -3.026 1.603 -4.911 1.00 0.79 C ATOM 0 H LEU A 55 -1.414 0.811 -9.450 1.00 0.30 H new ATOM 0 HA LEU A 55 -3.027 3.164 -8.848 1.00 0.28 H new ATOM 0 HB2 LEU A 55 -3.305 1.106 -7.558 1.00 0.32 H new ATOM 0 HB3 LEU A 55 -1.599 1.087 -7.155 1.00 0.32 H new ATOM 0 HG LEU A 55 -1.857 3.137 -5.830 1.00 0.31 H new ATOM 0 HD11 LEU A 55 -4.095 4.052 -5.366 1.00 0.88 H new ATOM 0 HD12 LEU A 55 -3.667 4.193 -7.087 1.00 0.88 H new ATOM 0 HD13 LEU A 55 -4.797 2.926 -6.552 1.00 0.88 H new ATOM 0 HD21 LEU A 55 -3.231 2.185 -4.013 1.00 0.79 H new ATOM 0 HD22 LEU A 55 -3.892 0.985 -5.149 1.00 0.79 H new ATOM 0 HD23 LEU A 55 -2.160 0.963 -4.739 1.00 0.79 H new ATOM 899 N TYR A 56 0.203 3.159 -8.764 1.00 0.30 N ATOM 900 CA TYR A 56 1.388 3.985 -8.576 1.00 0.30 C ATOM 901 C TYR A 56 1.426 5.092 -9.620 1.00 0.30 C ATOM 902 O TYR A 56 1.843 6.214 -9.337 1.00 0.29 O ATOM 903 CB TYR A 56 2.658 3.131 -8.659 1.00 0.35 C ATOM 904 CG TYR A 56 3.939 3.895 -8.387 1.00 0.36 C ATOM 905 CD1 TYR A 56 3.977 4.935 -7.463 1.00 0.95 C ATOM 906 CD2 TYR A 56 5.113 3.574 -9.056 1.00 0.68 C ATOM 907 CE1 TYR A 56 5.146 5.629 -7.216 1.00 1.03 C ATOM 908 CE2 TYR A 56 6.286 4.264 -8.814 1.00 0.85 C ATOM 909 CZ TYR A 56 6.297 5.290 -7.894 1.00 0.74 C ATOM 910 OH TYR A 56 7.462 5.979 -7.650 1.00 0.97 O ATOM 0 H TYR A 56 0.375 2.282 -9.256 1.00 0.30 H new ATOM 0 HA TYR A 56 1.342 4.437 -7.585 1.00 0.30 H new ATOM 0 HB2 TYR A 56 2.578 2.311 -7.945 1.00 0.35 H new ATOM 0 HB3 TYR A 56 2.718 2.685 -9.652 1.00 0.35 H new ATOM 0 HD1 TYR A 56 3.077 5.204 -6.930 1.00 0.95 H new ATOM 0 HD2 TYR A 56 5.109 2.771 -9.778 1.00 0.68 H new ATOM 0 HE1 TYR A 56 5.158 6.433 -6.495 1.00 1.03 H new ATOM 0 HE2 TYR A 56 7.190 4.000 -9.343 1.00 0.85 H new ATOM 0 HH TYR A 56 7.298 6.670 -6.975 1.00 0.97 H new ATOM 920 N VAL A 57 0.988 4.766 -10.830 1.00 0.33 N ATOM 921 CA VAL A 57 0.954 5.736 -11.913 1.00 0.35 C ATOM 922 C VAL A 57 -0.256 6.648 -11.764 1.00 0.31 C ATOM 923 O VAL A 57 -0.256 7.784 -12.237 1.00 0.32 O ATOM 924 CB VAL A 57 0.910 5.048 -13.290 1.00 0.40 C ATOM 925 CG1 VAL A 57 2.175 4.237 -13.523 1.00 0.44 C ATOM 926 CG2 VAL A 57 -0.325 4.167 -13.408 1.00 0.38 C ATOM 0 H VAL A 57 0.652 3.837 -11.084 1.00 0.33 H new ATOM 0 HA VAL A 57 1.869 6.325 -11.854 1.00 0.35 H new ATOM 0 HB VAL A 57 0.853 5.819 -14.058 1.00 0.40 H new ATOM 0 HG11 VAL A 57 2.125 3.758 -14.501 1.00 0.44 H new ATOM 0 HG12 VAL A 57 3.042 4.896 -13.485 1.00 0.44 H new ATOM 0 HG13 VAL A 57 2.266 3.474 -12.750 1.00 0.44 H new ATOM 0 HG21 VAL A 57 -0.339 3.689 -14.388 1.00 0.38 H new ATOM 0 HG22 VAL A 57 -0.302 3.402 -12.632 1.00 0.38 H new ATOM 0 HG23 VAL A 57 -1.220 4.778 -13.289 1.00 0.38 H new ATOM 936 N SER A 58 -1.287 6.138 -11.095 1.00 0.29 N ATOM 937 CA SER A 58 -2.507 6.902 -10.868 1.00 0.27 C ATOM 938 C SER A 58 -2.327 7.868 -9.705 1.00 0.24 C ATOM 939 O SER A 58 -2.773 9.012 -9.767 1.00 0.25 O ATOM 940 CB SER A 58 -3.685 5.966 -10.592 1.00 0.27 C ATOM 941 OG SER A 58 -4.028 5.222 -11.748 1.00 1.13 O ATOM 0 H SER A 58 -1.300 5.197 -10.701 1.00 0.29 H new ATOM 0 HA SER A 58 -2.719 7.476 -11.770 1.00 0.27 H new ATOM 0 HB2 SER A 58 -3.430 5.285 -9.780 1.00 0.27 H new ATOM 0 HB3 SER A 58 -4.546 6.547 -10.262 1.00 0.27 H new ATOM 0 HG SER A 58 -3.449 4.434 -11.814 1.00 1.13 H new ATOM 947 N VAL A 59 -1.669 7.404 -8.644 1.00 0.24 N ATOM 948 CA VAL A 59 -1.433 8.240 -7.473 1.00 0.23 C ATOM 949 C VAL A 59 -0.525 9.415 -7.820 1.00 0.23 C ATOM 950 O VAL A 59 -0.662 10.502 -7.258 1.00 0.22 O ATOM 951 CB VAL A 59 -0.816 7.438 -6.307 1.00 0.25 C ATOM 952 CG1 VAL A 59 0.560 6.908 -6.677 1.00 0.27 C ATOM 953 CG2 VAL A 59 -0.745 8.294 -5.051 1.00 0.26 C ATOM 0 H VAL A 59 -1.292 6.459 -8.573 1.00 0.24 H new ATOM 0 HA VAL A 59 -2.404 8.616 -7.152 1.00 0.23 H new ATOM 0 HB VAL A 59 -1.460 6.582 -6.105 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.972 6.347 -5.838 1.00 0.27 H new ATOM 0 HG12 VAL A 59 0.477 6.254 -7.545 1.00 0.27 H new ATOM 0 HG13 VAL A 59 1.220 7.743 -6.914 1.00 0.27 H new ATOM 0 HG21 VAL A 59 -0.308 7.713 -4.239 1.00 0.26 H new ATOM 0 HG22 VAL A 59 -0.127 9.171 -5.243 1.00 0.26 H new ATOM 0 HG23 VAL A 59 -1.749 8.612 -4.770 1.00 0.26 H new ATOM 963 N LYS A 60 0.406 9.191 -8.747 1.00 0.26 N ATOM 964 CA LYS A 60 1.318 10.245 -9.172 1.00 0.27 C ATOM 965 C LYS A 60 0.554 11.322 -9.930 1.00 0.26 C ATOM 966 O LYS A 60 0.768 12.516 -9.717 1.00 0.26 O ATOM 967 CB LYS A 60 2.439 9.680 -10.049 1.00 0.31 C ATOM 968 CG LYS A 60 3.507 8.931 -9.268 1.00 0.99 C ATOM 969 CD LYS A 60 4.762 8.711 -10.101 1.00 0.98 C ATOM 970 CE LYS A 60 4.517 7.740 -11.244 1.00 1.26 C ATOM 971 NZ LYS A 60 5.735 7.545 -12.079 1.00 1.78 N ATOM 0 H LYS A 60 0.546 8.295 -9.213 1.00 0.26 H new ATOM 0 HA LYS A 60 1.770 10.685 -8.283 1.00 0.27 H new ATOM 0 HB2 LYS A 60 2.005 9.009 -10.790 1.00 0.31 H new ATOM 0 HB3 LYS A 60 2.908 10.498 -10.596 1.00 0.31 H new ATOM 0 HG2 LYS A 60 3.761 9.492 -8.368 1.00 0.99 H new ATOM 0 HG3 LYS A 60 3.112 7.968 -8.943 1.00 0.99 H new ATOM 0 HD2 LYS A 60 5.104 9.665 -10.502 1.00 0.98 H new ATOM 0 HD3 LYS A 60 5.559 8.328 -9.464 1.00 0.98 H new ATOM 0 HE2 LYS A 60 4.195 6.779 -10.841 1.00 1.26 H new ATOM 0 HE3 LYS A 60 3.705 8.112 -11.868 1.00 1.26 H new ATOM 0 HZ1 LYS A 60 5.526 6.876 -12.847 1.00 1.78 H new ATOM 0 HZ2 LYS A 60 6.028 8.457 -12.484 1.00 1.78 H new ATOM 0 HZ3 LYS A 60 6.503 7.166 -11.489 1.00 1.78 H new ATOM 985 N GLU A 61 -0.339 10.891 -10.817 1.00 0.26 N ATOM 986 CA GLU A 61 -1.151 11.818 -11.595 1.00 0.26 C ATOM 987 C GLU A 61 -2.163 12.509 -10.692 1.00 0.24 C ATOM 988 O GLU A 61 -2.561 13.647 -10.939 1.00 0.24 O ATOM 989 CB GLU A 61 -1.875 11.081 -12.722 1.00 0.27 C ATOM 990 CG GLU A 61 -0.939 10.473 -13.751 1.00 1.22 C ATOM 991 CD GLU A 61 -1.683 9.730 -14.842 1.00 1.54 C ATOM 992 OE1 GLU A 61 -2.223 10.394 -15.751 1.00 1.78 O ATOM 993 OE2 GLU A 61 -1.728 8.483 -14.785 1.00 1.88 O ATOM 0 H GLU A 61 -0.517 9.906 -11.014 1.00 0.26 H new ATOM 0 HA GLU A 61 -0.494 12.568 -12.035 1.00 0.26 H new ATOM 0 HB2 GLU A 61 -2.490 10.291 -12.291 1.00 0.27 H new ATOM 0 HB3 GLU A 61 -2.551 11.774 -13.223 1.00 0.27 H new ATOM 0 HG2 GLU A 61 -0.335 11.262 -14.199 1.00 1.22 H new ATOM 0 HG3 GLU A 61 -0.252 9.789 -13.253 1.00 1.22 H new ATOM 1000 N ILE A 62 -2.574 11.803 -9.643 1.00 0.24 N ATOM 1001 CA ILE A 62 -3.533 12.334 -8.685 1.00 0.23 C ATOM 1002 C ILE A 62 -2.994 13.607 -8.039 1.00 0.25 C ATOM 1003 O ILE A 62 -3.727 14.579 -7.852 1.00 0.27 O ATOM 1004 CB ILE A 62 -3.864 11.287 -7.594 1.00 0.26 C ATOM 1005 CG1 ILE A 62 -4.948 10.327 -8.093 1.00 0.29 C ATOM 1006 CG2 ILE A 62 -4.300 11.962 -6.300 1.00 0.25 C ATOM 1007 CD1 ILE A 62 -5.177 9.139 -7.182 1.00 0.33 C ATOM 0 H ILE A 62 -2.255 10.857 -9.436 1.00 0.24 H new ATOM 0 HA ILE A 62 -4.450 12.572 -9.225 1.00 0.23 H new ATOM 0 HB ILE A 62 -2.960 10.716 -7.384 1.00 0.26 H new ATOM 0 HG12 ILE A 62 -5.884 10.875 -8.202 1.00 0.29 H new ATOM 0 HG13 ILE A 62 -4.673 9.966 -9.084 1.00 0.29 H new ATOM 0 HG21 ILE A 62 -4.526 11.202 -5.552 1.00 0.25 H new ATOM 0 HG22 ILE A 62 -3.497 12.603 -5.935 1.00 0.25 H new ATOM 0 HG23 ILE A 62 -5.189 12.564 -6.486 1.00 0.25 H new ATOM 0 HD11 ILE A 62 -5.958 8.505 -7.601 1.00 0.33 H new ATOM 0 HD12 ILE A 62 -4.254 8.566 -7.092 1.00 0.33 H new ATOM 0 HD13 ILE A 62 -5.484 9.490 -6.197 1.00 0.33 H new ATOM 1019 N GLY A 63 -1.709 13.592 -7.703 1.00 0.30 N ATOM 1020 CA GLY A 63 -1.090 14.749 -7.084 1.00 0.37 C ATOM 1021 C GLY A 63 -0.098 14.371 -6.001 1.00 0.46 C ATOM 1022 O GLY A 63 0.763 15.171 -5.635 1.00 0.74 O ATOM 0 H GLY A 63 -1.085 12.799 -7.848 1.00 0.30 H new ATOM 0 HA2 GLY A 63 -0.581 15.337 -7.848 1.00 0.37 H new ATOM 0 HA3 GLY A 63 -1.865 15.385 -6.656 1.00 0.37 H new ATOM 1026 N GLY A 64 -0.220 13.150 -5.487 1.00 0.29 N ATOM 1027 CA GLY A 64 0.682 12.691 -4.446 1.00 0.35 C ATOM 1028 C GLY A 64 -0.005 11.788 -3.441 1.00 0.38 C ATOM 1029 O GLY A 64 -1.084 11.262 -3.708 1.00 0.50 O ATOM 0 H GLY A 64 -0.926 12.472 -5.773 1.00 0.29 H new ATOM 0 HA2 GLY A 64 1.515 12.155 -4.901 1.00 0.35 H new ATOM 0 HA3 GLY A 64 1.102 13.553 -3.928 1.00 0.35 H new ATOM 1033 N LEU A 65 0.621 11.610 -2.281 1.00 0.32 N ATOM 1034 CA LEU A 65 0.059 10.764 -1.234 1.00 0.35 C ATOM 1035 C LEU A 65 -0.824 11.575 -0.292 1.00 0.32 C ATOM 1036 O LEU A 65 -1.733 11.034 0.338 1.00 0.35 O ATOM 1037 CB LEU A 65 1.158 10.034 -0.437 1.00 0.43 C ATOM 1038 CG LEU A 65 2.525 10.732 -0.318 1.00 0.94 C ATOM 1039 CD1 LEU A 65 3.303 10.629 -1.622 1.00 1.62 C ATOM 1040 CD2 LEU A 65 2.373 12.188 0.105 1.00 0.86 C ATOM 0 H LEU A 65 1.515 12.039 -2.043 1.00 0.32 H new ATOM 0 HA LEU A 65 -0.554 10.010 -1.727 1.00 0.35 H new ATOM 0 HB2 LEU A 65 0.782 9.855 0.570 1.00 0.43 H new ATOM 0 HB3 LEU A 65 1.316 9.058 -0.896 1.00 0.43 H new ATOM 0 HG LEU A 65 3.089 10.217 0.460 1.00 0.94 H new ATOM 0 HD11 LEU A 65 4.265 11.130 -1.512 1.00 1.62 H new ATOM 0 HD12 LEU A 65 3.466 9.579 -1.866 1.00 1.62 H new ATOM 0 HD13 LEU A 65 2.736 11.104 -2.423 1.00 1.62 H new ATOM 0 HD21 LEU A 65 3.357 12.650 0.179 1.00 0.86 H new ATOM 0 HD22 LEU A 65 1.777 12.722 -0.635 1.00 0.86 H new ATOM 0 HD23 LEU A 65 1.876 12.235 1.074 1.00 0.86 H new ATOM 1052 N THR A 66 -0.555 12.873 -0.201 1.00 0.35 N ATOM 1053 CA THR A 66 -1.334 13.754 0.660 1.00 0.36 C ATOM 1054 C THR A 66 -2.645 14.141 -0.011 1.00 0.30 C ATOM 1055 O THR A 66 -3.635 14.439 0.658 1.00 0.28 O ATOM 1056 CB THR A 66 -0.555 15.032 1.020 1.00 0.47 C ATOM 1057 OG1 THR A 66 0.581 15.174 0.159 1.00 0.76 O ATOM 1058 CG2 THR A 66 -0.098 14.999 2.470 1.00 0.65 C ATOM 0 H THR A 66 0.196 13.337 -0.712 1.00 0.35 H new ATOM 0 HA THR A 66 -1.540 13.202 1.577 1.00 0.36 H new ATOM 0 HB THR A 66 -1.221 15.885 0.886 1.00 0.47 H new ATOM 0 HG1 THR A 66 1.070 15.990 0.394 1.00 0.76 H new ATOM 0 HG21 THR A 66 0.450 15.913 2.700 1.00 0.65 H new ATOM 0 HG22 THR A 66 -0.967 14.923 3.124 1.00 0.65 H new ATOM 0 HG23 THR A 66 0.551 14.138 2.627 1.00 0.65 H new ATOM 1066 N GLN A 67 -2.644 14.130 -1.340 1.00 0.30 N ATOM 1067 CA GLN A 67 -3.834 14.474 -2.108 1.00 0.29 C ATOM 1068 C GLN A 67 -4.902 13.399 -1.948 1.00 0.23 C ATOM 1069 O GLN A 67 -6.090 13.698 -1.865 1.00 0.28 O ATOM 1070 CB GLN A 67 -3.485 14.650 -3.587 1.00 0.35 C ATOM 1071 CG GLN A 67 -2.400 15.685 -3.838 1.00 0.93 C ATOM 1072 CD GLN A 67 -2.725 17.036 -3.230 1.00 1.08 C ATOM 1073 OE1 GLN A 67 -2.375 17.314 -2.084 1.00 1.29 O ATOM 1074 NE2 GLN A 67 -3.399 17.884 -3.997 1.00 1.77 N ATOM 0 H GLN A 67 -1.832 13.886 -1.907 1.00 0.30 H new ATOM 0 HA GLN A 67 -4.226 15.417 -1.726 1.00 0.29 H new ATOM 0 HB2 GLN A 67 -3.161 13.691 -3.992 1.00 0.35 H new ATOM 0 HB3 GLN A 67 -4.384 14.939 -4.132 1.00 0.35 H new ATOM 0 HG2 GLN A 67 -1.457 15.324 -3.427 1.00 0.93 H new ATOM 0 HG3 GLN A 67 -2.256 15.800 -4.912 1.00 0.93 H new ATOM 0 HE21 GLN A 67 -3.670 17.612 -4.942 1.00 1.77 H new ATOM 0 HE22 GLN A 67 -3.646 18.807 -3.641 1.00 1.77 H new ATOM 1083 N VAL A 68 -4.468 12.145 -1.893 1.00 0.22 N ATOM 1084 CA VAL A 68 -5.388 11.024 -1.740 1.00 0.26 C ATOM 1085 C VAL A 68 -5.869 10.906 -0.294 1.00 0.28 C ATOM 1086 O VAL A 68 -6.443 9.893 0.100 1.00 0.39 O ATOM 1087 CB VAL A 68 -4.724 9.695 -2.158 1.00 0.37 C ATOM 1088 CG1 VAL A 68 -5.771 8.618 -2.397 1.00 0.69 C ATOM 1089 CG2 VAL A 68 -3.865 9.889 -3.398 1.00 0.52 C ATOM 0 H VAL A 68 -3.485 11.879 -1.952 1.00 0.22 H new ATOM 0 HA VAL A 68 -6.240 11.218 -2.391 1.00 0.26 H new ATOM 0 HB VAL A 68 -4.080 9.369 -1.342 1.00 0.37 H new ATOM 0 HG11 VAL A 68 -5.279 7.691 -2.690 1.00 0.69 H new ATOM 0 HG12 VAL A 68 -6.339 8.453 -1.481 1.00 0.69 H new ATOM 0 HG13 VAL A 68 -6.447 8.937 -3.191 1.00 0.69 H new ATOM 0 HG21 VAL A 68 -3.406 8.940 -3.675 1.00 0.52 H new ATOM 0 HG22 VAL A 68 -4.487 10.245 -4.219 1.00 0.52 H new ATOM 0 HG23 VAL A 68 -3.085 10.621 -3.189 1.00 0.52 H new ATOM 1099 N ASN A 69 -5.640 11.950 0.494 1.00 0.24 N ATOM 1100 CA ASN A 69 -6.043 11.942 1.894 1.00 0.29 C ATOM 1101 C ASN A 69 -7.045 13.054 2.200 1.00 0.31 C ATOM 1102 O ASN A 69 -7.648 13.070 3.273 1.00 0.40 O ATOM 1103 CB ASN A 69 -4.813 12.087 2.793 1.00 0.30 C ATOM 1104 CG ASN A 69 -5.151 11.959 4.265 1.00 0.43 C ATOM 1105 OD1 ASN A 69 -5.166 10.860 4.817 1.00 1.20 O ATOM 1106 ND2 ASN A 69 -5.422 13.085 4.910 1.00 1.17 N ATOM 0 H ASN A 69 -5.180 12.808 0.189 1.00 0.24 H new ATOM 0 HA ASN A 69 -6.532 10.988 2.094 1.00 0.29 H new ATOM 0 HB2 ASN A 69 -4.079 11.327 2.525 1.00 0.30 H new ATOM 0 HB3 ASN A 69 -4.348 13.056 2.613 1.00 0.30 H new ATOM 0 HD21 ASN A 69 -5.654 13.061 5.903 1.00 1.17 H new ATOM 0 HD22 ASN A 69 -5.398 13.976 4.413 1.00 1.17 H new ATOM 1113 N LYS A 70 -7.234 13.977 1.259 1.00 0.28 N ATOM 1114 CA LYS A 70 -8.164 15.083 1.474 1.00 0.38 C ATOM 1115 C LYS A 70 -8.754 15.609 0.167 1.00 0.33 C ATOM 1116 O LYS A 70 -9.474 16.608 0.168 1.00 0.36 O ATOM 1117 CB LYS A 70 -7.457 16.220 2.212 1.00 0.47 C ATOM 1118 CG LYS A 70 -6.304 16.828 1.431 1.00 0.46 C ATOM 1119 CD LYS A 70 -5.622 17.933 2.219 1.00 0.74 C ATOM 1120 CE LYS A 70 -4.519 18.594 1.412 1.00 1.09 C ATOM 1121 NZ LYS A 70 -3.860 19.694 2.168 1.00 1.81 N ATOM 0 H LYS A 70 -6.764 13.982 0.354 1.00 0.28 H new ATOM 0 HA LYS A 70 -8.988 14.700 2.076 1.00 0.38 H new ATOM 0 HB2 LYS A 70 -8.183 17.001 2.439 1.00 0.47 H new ATOM 0 HB3 LYS A 70 -7.082 15.846 3.165 1.00 0.47 H new ATOM 0 HG2 LYS A 70 -5.578 16.052 1.187 1.00 0.46 H new ATOM 0 HG3 LYS A 70 -6.673 17.227 0.486 1.00 0.46 H new ATOM 0 HD2 LYS A 70 -6.359 18.681 2.511 1.00 0.74 H new ATOM 0 HD3 LYS A 70 -5.205 17.521 3.138 1.00 0.74 H new ATOM 0 HE2 LYS A 70 -3.775 17.847 1.135 1.00 1.09 H new ATOM 0 HE3 LYS A 70 -4.935 18.989 0.485 1.00 1.09 H new ATOM 0 HZ1 LYS A 70 -3.113 20.119 1.582 1.00 1.81 H new ATOM 0 HZ2 LYS A 70 -4.565 20.419 2.411 1.00 1.81 H new ATOM 0 HZ3 LYS A 70 -3.441 19.313 3.040 1.00 1.81 H new ATOM 1135 N ASN A 71 -8.455 14.944 -0.942 1.00 0.28 N ATOM 1136 CA ASN A 71 -8.971 15.373 -2.239 1.00 0.27 C ATOM 1137 C ASN A 71 -10.013 14.388 -2.762 1.00 0.28 C ATOM 1138 O ASN A 71 -10.357 14.403 -3.944 1.00 0.29 O ATOM 1139 CB ASN A 71 -7.829 15.518 -3.246 1.00 0.24 C ATOM 1140 CG ASN A 71 -8.119 16.562 -4.306 1.00 0.99 C ATOM 1141 OD1 ASN A 71 -8.684 16.258 -5.355 1.00 1.94 O ATOM 1142 ND2 ASN A 71 -7.729 17.802 -4.035 1.00 1.26 N ATOM 0 H ASN A 71 -7.864 14.113 -0.972 1.00 0.28 H new ATOM 0 HA ASN A 71 -9.451 16.343 -2.109 1.00 0.27 H new ATOM 0 HB2 ASN A 71 -6.914 15.786 -2.717 1.00 0.24 H new ATOM 0 HB3 ASN A 71 -7.649 14.557 -3.727 1.00 0.24 H new ATOM 0 HD21 ASN A 71 -7.895 18.548 -4.711 1.00 1.26 H new ATOM 0 HD22 ASN A 71 -7.263 18.009 -3.151 1.00 1.26 H new ATOM 1149 N LYS A 72 -10.515 13.538 -1.867 1.00 0.30 N ATOM 1150 CA LYS A 72 -11.520 12.540 -2.224 1.00 0.33 C ATOM 1151 C LYS A 72 -11.067 11.710 -3.419 1.00 0.30 C ATOM 1152 O LYS A 72 -11.882 11.254 -4.220 1.00 0.33 O ATOM 1153 CB LYS A 72 -12.857 13.218 -2.529 1.00 0.40 C ATOM 1154 CG LYS A 72 -13.423 13.989 -1.347 1.00 0.85 C ATOM 1155 CD LYS A 72 -14.854 14.441 -1.600 1.00 0.88 C ATOM 1156 CE LYS A 72 -14.926 15.500 -2.688 1.00 1.61 C ATOM 1157 NZ LYS A 72 -16.320 15.976 -2.906 1.00 2.04 N ATOM 0 H LYS A 72 -10.240 13.522 -0.885 1.00 0.30 H new ATOM 0 HA LYS A 72 -11.648 11.871 -1.373 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -12.728 13.899 -3.370 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -13.578 12.462 -2.839 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -13.392 13.362 -0.456 1.00 0.85 H new ATOM 0 HG3 LYS A 72 -12.797 14.859 -1.147 1.00 0.85 H new ATOM 0 HD2 LYS A 72 -15.461 13.583 -1.887 1.00 0.88 H new ATOM 0 HD3 LYS A 72 -15.279 14.838 -0.678 1.00 0.88 H new ATOM 0 HE2 LYS A 72 -14.292 16.344 -2.416 1.00 1.61 H new ATOM 0 HE3 LYS A 72 -14.532 15.092 -3.619 1.00 1.61 H new ATOM 0 HZ1 LYS A 72 -16.327 16.697 -3.655 1.00 2.04 H new ATOM 0 HZ2 LYS A 72 -16.920 15.175 -3.190 1.00 2.04 H new ATOM 0 HZ3 LYS A 72 -16.688 16.388 -2.025 1.00 2.04 H new ATOM 1171 N LYS A 73 -9.759 11.511 -3.523 1.00 0.25 N ATOM 1172 CA LYS A 73 -9.190 10.741 -4.618 1.00 0.24 C ATOM 1173 C LYS A 73 -9.334 9.244 -4.374 1.00 0.23 C ATOM 1174 O LYS A 73 -9.032 8.436 -5.251 1.00 0.25 O ATOM 1175 CB LYS A 73 -7.721 11.110 -4.809 1.00 0.31 C ATOM 1176 CG LYS A 73 -7.529 12.502 -5.386 1.00 0.35 C ATOM 1177 CD LYS A 73 -7.922 12.549 -6.853 1.00 0.36 C ATOM 1178 CE LYS A 73 -7.993 13.976 -7.367 1.00 0.79 C ATOM 1179 NZ LYS A 73 -8.377 14.029 -8.805 1.00 0.77 N ATOM 0 H LYS A 73 -9.073 11.873 -2.861 1.00 0.25 H new ATOM 0 HA LYS A 73 -9.740 10.985 -5.527 1.00 0.24 H new ATOM 0 HB2 LYS A 73 -7.208 11.047 -3.849 1.00 0.31 H new ATOM 0 HB3 LYS A 73 -7.252 10.381 -5.470 1.00 0.31 H new ATOM 0 HG2 LYS A 73 -8.129 13.217 -4.823 1.00 0.35 H new ATOM 0 HG3 LYS A 73 -6.487 12.803 -5.276 1.00 0.35 H new ATOM 0 HD2 LYS A 73 -7.199 11.985 -7.442 1.00 0.36 H new ATOM 0 HD3 LYS A 73 -8.889 12.065 -6.987 1.00 0.36 H new ATOM 0 HE2 LYS A 73 -8.716 14.539 -6.777 1.00 0.79 H new ATOM 0 HE3 LYS A 73 -7.026 14.459 -7.231 1.00 0.79 H new ATOM 0 HZ1 LYS A 73 -8.414 15.020 -9.118 1.00 0.77 H new ATOM 0 HZ2 LYS A 73 -7.673 13.513 -9.371 1.00 0.77 H new ATOM 0 HZ3 LYS A 73 -9.312 13.591 -8.931 1.00 0.77 H new ATOM 1193 N TRP A 74 -9.800 8.876 -3.183 1.00 0.22 N ATOM 1194 CA TRP A 74 -9.988 7.467 -2.850 1.00 0.24 C ATOM 1195 C TRP A 74 -11.030 6.858 -3.774 1.00 0.23 C ATOM 1196 O TRP A 74 -10.908 5.710 -4.200 1.00 0.22 O ATOM 1197 CB TRP A 74 -10.418 7.274 -1.387 1.00 0.26 C ATOM 1198 CG TRP A 74 -10.481 8.537 -0.581 1.00 0.43 C ATOM 1199 CD1 TRP A 74 -9.435 9.336 -0.223 1.00 1.46 C ATOM 1200 CD2 TRP A 74 -11.653 9.139 -0.021 1.00 0.82 C ATOM 1201 NE1 TRP A 74 -9.885 10.401 0.518 1.00 1.40 N ATOM 1202 CE2 TRP A 74 -11.243 10.301 0.656 1.00 0.70 C ATOM 1203 CE3 TRP A 74 -13.009 8.809 -0.029 1.00 2.03 C ATOM 1204 CZ2 TRP A 74 -12.140 11.134 1.318 1.00 1.11 C ATOM 1205 CZ3 TRP A 74 -13.899 9.636 0.629 1.00 2.68 C ATOM 1206 CH2 TRP A 74 -13.461 10.787 1.294 1.00 2.12 C ATOM 0 H TRP A 74 -10.052 9.527 -2.439 1.00 0.22 H new ATOM 0 HA TRP A 74 -9.030 6.964 -2.983 1.00 0.24 H new ATOM 0 HB2 TRP A 74 -11.399 6.799 -1.370 1.00 0.26 H new ATOM 0 HB3 TRP A 74 -9.723 6.586 -0.906 1.00 0.26 H new ATOM 0 HD1 TRP A 74 -8.403 9.157 -0.484 1.00 1.46 H new ATOM 0 HE1 TRP A 74 -9.303 11.145 0.903 1.00 1.40 H new ATOM 0 HE3 TRP A 74 -13.356 7.923 -0.540 1.00 2.03 H new ATOM 0 HZ2 TRP A 74 -11.804 12.022 1.832 1.00 1.11 H new ATOM 0 HZ3 TRP A 74 -14.951 9.390 0.630 1.00 2.68 H new ATOM 0 HH2 TRP A 74 -14.182 11.413 1.798 1.00 2.12 H new ATOM 1217 N ARG A 75 -12.058 7.644 -4.079 1.00 0.25 N ATOM 1218 CA ARG A 75 -13.123 7.200 -4.964 1.00 0.26 C ATOM 1219 C ARG A 75 -12.666 7.289 -6.415 1.00 0.23 C ATOM 1220 O ARG A 75 -13.162 6.568 -7.281 1.00 0.23 O ATOM 1221 CB ARG A 75 -14.381 8.043 -4.747 1.00 0.30 C ATOM 1222 CG ARG A 75 -15.571 7.587 -5.575 1.00 0.43 C ATOM 1223 CD ARG A 75 -16.882 8.087 -4.989 1.00 0.48 C ATOM 1224 NE ARG A 75 -16.900 9.539 -4.847 1.00 1.25 N ATOM 1225 CZ ARG A 75 -17.900 10.212 -4.284 1.00 1.68 C ATOM 1226 NH1 ARG A 75 -18.960 9.567 -3.817 1.00 1.51 N ATOM 1227 NH2 ARG A 75 -17.841 11.532 -4.189 1.00 2.57 N ATOM 0 H ARG A 75 -12.174 8.593 -3.724 1.00 0.25 H new ATOM 0 HA ARG A 75 -13.361 6.161 -4.735 1.00 0.26 H new ATOM 0 HB2 ARG A 75 -14.651 8.012 -3.691 1.00 0.30 H new ATOM 0 HB3 ARG A 75 -14.158 9.082 -4.989 1.00 0.30 H new ATOM 0 HG2 ARG A 75 -15.466 7.951 -6.597 1.00 0.43 H new ATOM 0 HG3 ARG A 75 -15.585 6.498 -5.625 1.00 0.43 H new ATOM 0 HD2 ARG A 75 -17.707 7.775 -5.629 1.00 0.48 H new ATOM 0 HD3 ARG A 75 -17.043 7.626 -4.015 1.00 0.48 H new ATOM 0 HE ARG A 75 -16.102 10.067 -5.199 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -19.011 8.551 -3.889 1.00 1.51 H new ATOM 0 HH12 ARG A 75 -19.724 10.087 -3.386 1.00 1.51 H new ATOM 0 HH21 ARG A 75 -17.028 12.033 -4.548 1.00 2.57 H new ATOM 0 HH22 ARG A 75 -18.608 12.047 -3.757 1.00 2.57 H new ATOM 1241 N GLU A 76 -11.710 8.180 -6.668 1.00 0.23 N ATOM 1242 CA GLU A 76 -11.165 8.364 -8.008 1.00 0.22 C ATOM 1243 C GLU A 76 -10.373 7.134 -8.432 1.00 0.20 C ATOM 1244 O GLU A 76 -10.686 6.501 -9.440 1.00 0.20 O ATOM 1245 CB GLU A 76 -10.271 9.603 -8.055 1.00 0.25 C ATOM 1246 CG GLU A 76 -11.041 10.912 -8.007 1.00 1.27 C ATOM 1247 CD GLU A 76 -11.852 11.154 -9.263 1.00 1.67 C ATOM 1248 OE1 GLU A 76 -11.288 11.694 -10.238 1.00 2.09 O ATOM 1249 OE2 GLU A 76 -13.050 10.803 -9.273 1.00 2.05 O ATOM 0 H GLU A 76 -11.297 8.787 -5.960 1.00 0.23 H new ATOM 0 HA GLU A 76 -11.995 8.504 -8.700 1.00 0.22 H new ATOM 0 HB2 GLU A 76 -9.575 9.570 -7.217 1.00 0.25 H new ATOM 0 HB3 GLU A 76 -9.674 9.576 -8.967 1.00 0.25 H new ATOM 0 HG2 GLU A 76 -11.707 10.907 -7.144 1.00 1.27 H new ATOM 0 HG3 GLU A 76 -10.342 11.736 -7.865 1.00 1.27 H new ATOM 1256 N LEU A 77 -9.342 6.805 -7.657 1.00 0.19 N ATOM 1257 CA LEU A 77 -8.512 5.642 -7.943 1.00 0.19 C ATOM 1258 C LEU A 77 -9.365 4.380 -7.944 1.00 0.19 C ATOM 1259 O LEU A 77 -9.064 3.412 -8.642 1.00 0.22 O ATOM 1260 CB LEU A 77 -7.383 5.526 -6.916 1.00 0.20 C ATOM 1261 CG LEU A 77 -7.824 5.569 -5.452 1.00 0.18 C ATOM 1262 CD1 LEU A 77 -8.108 4.169 -4.932 1.00 0.21 C ATOM 1263 CD2 LEU A 77 -6.766 6.251 -4.601 1.00 0.24 C ATOM 0 H LEU A 77 -9.063 7.328 -6.827 1.00 0.19 H new ATOM 0 HA LEU A 77 -8.066 5.763 -8.930 1.00 0.19 H new ATOM 0 HB2 LEU A 77 -6.850 4.591 -7.090 1.00 0.20 H new ATOM 0 HB3 LEU A 77 -6.673 6.335 -7.088 1.00 0.20 H new ATOM 0 HG LEU A 77 -8.746 6.147 -5.388 1.00 0.18 H new ATOM 0 HD11 LEU A 77 -8.420 4.225 -3.889 1.00 0.21 H new ATOM 0 HD12 LEU A 77 -8.902 3.715 -5.525 1.00 0.21 H new ATOM 0 HD13 LEU A 77 -7.206 3.562 -5.009 1.00 0.21 H new ATOM 0 HD21 LEU A 77 -7.094 6.274 -3.562 1.00 0.24 H new ATOM 0 HD22 LEU A 77 -5.829 5.699 -4.674 1.00 0.24 H new ATOM 0 HD23 LEU A 77 -6.615 7.270 -4.956 1.00 0.24 H new ATOM 1275 N ALA A 78 -10.432 4.404 -7.151 1.00 0.20 N ATOM 1276 CA ALA A 78 -11.349 3.278 -7.068 1.00 0.21 C ATOM 1277 C ALA A 78 -12.083 3.108 -8.392 1.00 0.21 C ATOM 1278 O ALA A 78 -12.346 1.989 -8.834 1.00 0.23 O ATOM 1279 CB ALA A 78 -12.336 3.491 -5.929 1.00 0.24 C ATOM 0 H ALA A 78 -10.681 5.194 -6.556 1.00 0.20 H new ATOM 0 HA ALA A 78 -10.783 2.369 -6.866 1.00 0.21 H new ATOM 0 HB1 ALA A 78 -13.018 2.643 -5.875 1.00 0.24 H new ATOM 0 HB2 ALA A 78 -11.792 3.580 -4.988 1.00 0.24 H new ATOM 0 HB3 ALA A 78 -12.905 4.403 -6.107 1.00 0.24 H new ATOM 1285 N THR A 79 -12.401 4.235 -9.022 1.00 0.21 N ATOM 1286 CA THR A 79 -13.096 4.232 -10.302 1.00 0.23 C ATOM 1287 C THR A 79 -12.132 3.916 -11.440 1.00 0.24 C ATOM 1288 O THR A 79 -12.519 3.335 -12.454 1.00 0.28 O ATOM 1289 CB THR A 79 -13.764 5.593 -10.580 1.00 0.25 C ATOM 1290 OG1 THR A 79 -14.563 5.988 -9.458 1.00 0.25 O ATOM 1291 CG2 THR A 79 -14.635 5.528 -11.826 1.00 0.30 C ATOM 0 H THR A 79 -12.186 5.166 -8.663 1.00 0.21 H new ATOM 0 HA THR A 79 -13.865 3.461 -10.247 1.00 0.23 H new ATOM 0 HB THR A 79 -12.976 6.328 -10.743 1.00 0.25 H new ATOM 0 HG1 THR A 79 -13.980 6.306 -8.737 1.00 0.25 H new ATOM 0 HG21 THR A 79 -15.095 6.501 -12.000 1.00 0.30 H new ATOM 0 HG22 THR A 79 -14.021 5.258 -12.685 1.00 0.30 H new ATOM 0 HG23 THR A 79 -15.414 4.778 -11.687 1.00 0.30 H new ATOM 1299 N ASN A 80 -10.873 4.302 -11.258 1.00 0.22 N ATOM 1300 CA ASN A 80 -9.844 4.071 -12.266 1.00 0.25 C ATOM 1301 C ASN A 80 -9.514 2.587 -12.384 1.00 0.29 C ATOM 1302 O ASN A 80 -9.180 2.101 -13.465 1.00 0.37 O ATOM 1303 CB ASN A 80 -8.576 4.854 -11.917 1.00 0.25 C ATOM 1304 CG ASN A 80 -8.807 6.353 -11.877 1.00 0.98 C ATOM 1305 OD1 ASN A 80 -8.197 7.064 -11.081 1.00 1.68 O ATOM 1306 ND2 ASN A 80 -9.687 6.842 -12.743 1.00 1.75 N ATOM 0 H ASN A 80 -10.540 4.778 -10.419 1.00 0.22 H new ATOM 0 HA ASN A 80 -10.231 4.417 -13.225 1.00 0.25 H new ATOM 0 HB2 ASN A 80 -8.204 4.522 -10.948 1.00 0.25 H new ATOM 0 HB3 ASN A 80 -7.801 4.629 -12.650 1.00 0.25 H new ATOM 0 HD21 ASN A 80 -9.879 7.844 -12.765 1.00 1.75 H new ATOM 0 HD22 ASN A 80 -10.171 6.216 -13.386 1.00 1.75 H new ATOM 1313 N LEU A 81 -9.612 1.872 -11.268 1.00 0.36 N ATOM 1314 CA LEU A 81 -9.314 0.445 -11.248 1.00 0.40 C ATOM 1315 C LEU A 81 -10.590 -0.390 -11.284 1.00 0.42 C ATOM 1316 O LEU A 81 -10.536 -1.617 -11.196 1.00 0.45 O ATOM 1317 CB LEU A 81 -8.501 0.095 -9.998 1.00 0.41 C ATOM 1318 CG LEU A 81 -7.170 0.836 -9.859 1.00 0.44 C ATOM 1319 CD1 LEU A 81 -6.560 0.580 -8.490 1.00 0.43 C ATOM 1320 CD2 LEU A 81 -6.206 0.415 -10.959 1.00 0.50 C ATOM 0 H LEU A 81 -9.895 2.257 -10.367 1.00 0.36 H new ATOM 0 HA LEU A 81 -8.730 0.213 -12.139 1.00 0.40 H new ATOM 0 HB2 LEU A 81 -9.109 0.305 -9.118 1.00 0.41 H new ATOM 0 HB3 LEU A 81 -8.303 -0.977 -10.001 1.00 0.41 H new ATOM 0 HG LEU A 81 -7.359 1.905 -9.959 1.00 0.44 H new ATOM 0 HD11 LEU A 81 -5.614 1.114 -8.408 1.00 0.43 H new ATOM 0 HD12 LEU A 81 -7.243 0.930 -7.716 1.00 0.43 H new ATOM 0 HD13 LEU A 81 -6.386 -0.488 -8.363 1.00 0.43 H new ATOM 0 HD21 LEU A 81 -5.265 0.953 -10.843 1.00 0.50 H new ATOM 0 HD22 LEU A 81 -6.022 -0.657 -10.891 1.00 0.50 H new ATOM 0 HD23 LEU A 81 -6.640 0.648 -11.932 1.00 0.50 H new ATOM 1332 N ASN A 82 -11.734 0.280 -11.420 1.00 0.44 N ATOM 1333 CA ASN A 82 -13.027 -0.402 -11.461 1.00 0.48 C ATOM 1334 C ASN A 82 -13.207 -1.304 -10.245 1.00 0.43 C ATOM 1335 O ASN A 82 -12.774 -2.456 -10.248 1.00 0.66 O ATOM 1336 CB ASN A 82 -13.162 -1.230 -12.741 1.00 0.57 C ATOM 1337 CG ASN A 82 -13.354 -0.371 -13.974 1.00 1.28 C ATOM 1338 OD1 ASN A 82 -12.392 -0.009 -14.649 1.00 2.00 O ATOM 1339 ND2 ASN A 82 -14.603 -0.037 -14.275 1.00 2.01 N ATOM 0 H ASN A 82 -11.792 1.295 -11.504 1.00 0.44 H new ATOM 0 HA ASN A 82 -13.804 0.362 -11.449 1.00 0.48 H new ATOM 0 HB2 ASN A 82 -12.271 -1.845 -12.867 1.00 0.57 H new ATOM 0 HB3 ASN A 82 -14.008 -1.910 -12.642 1.00 0.57 H new ATOM 0 HD21 ASN A 82 -14.793 0.541 -15.093 1.00 2.01 H new ATOM 0 HD22 ASN A 82 -15.373 -0.359 -13.688 1.00 2.01 H new ATOM 1346 N VAL A 83 -13.844 -0.779 -9.204 1.00 0.35 N ATOM 1347 CA VAL A 83 -14.073 -1.550 -7.988 1.00 0.35 C ATOM 1348 C VAL A 83 -15.500 -1.371 -7.476 1.00 0.43 C ATOM 1349 O VAL A 83 -16.038 -2.247 -6.799 1.00 0.50 O ATOM 1350 CB VAL A 83 -13.083 -1.155 -6.875 1.00 0.46 C ATOM 1351 CG1 VAL A 83 -11.646 -1.343 -7.339 1.00 1.16 C ATOM 1352 CG2 VAL A 83 -13.323 0.278 -6.435 1.00 1.39 C ATOM 0 H VAL A 83 -14.209 0.173 -9.178 1.00 0.35 H new ATOM 0 HA VAL A 83 -13.916 -2.597 -8.247 1.00 0.35 H new ATOM 0 HB VAL A 83 -13.250 -1.809 -6.019 1.00 0.46 H new ATOM 0 HG11 VAL A 83 -10.965 -1.058 -6.537 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -11.482 -2.388 -7.600 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -11.461 -0.717 -8.212 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -12.615 0.541 -5.649 1.00 1.39 H new ATOM 0 HG22 VAL A 83 -13.186 0.947 -7.284 1.00 1.39 H new ATOM 0 HG23 VAL A 83 -14.340 0.377 -6.056 1.00 1.39 H new ATOM 1362 N GLY A 84 -16.107 -0.233 -7.801 1.00 0.49 N ATOM 1363 CA GLY A 84 -17.466 0.035 -7.361 1.00 0.67 C ATOM 1364 C GLY A 84 -17.854 1.493 -7.514 1.00 0.86 C ATOM 1365 O GLY A 84 -18.882 1.806 -8.113 1.00 1.76 O ATOM 0 H GLY A 84 -15.683 0.507 -8.360 1.00 0.49 H new ATOM 0 HA2 GLY A 84 -18.157 -0.583 -7.934 1.00 0.67 H new ATOM 0 HA3 GLY A 84 -17.569 -0.256 -6.316 1.00 0.67 H new ATOM 1369 N THR A 85 -17.030 2.384 -6.963 1.00 0.54 N ATOM 1370 CA THR A 85 -17.270 3.829 -7.032 1.00 0.53 C ATOM 1371 C THR A 85 -18.567 4.226 -6.329 1.00 0.75 C ATOM 1372 O THR A 85 -18.952 5.395 -6.343 1.00 1.28 O ATOM 1373 CB THR A 85 -17.331 4.339 -8.487 1.00 0.56 C ATOM 1374 OG1 THR A 85 -18.655 4.181 -9.011 1.00 0.64 O ATOM 1375 CG2 THR A 85 -16.343 3.592 -9.370 1.00 0.65 C ATOM 0 H THR A 85 -16.181 2.129 -6.458 1.00 0.54 H new ATOM 0 HA THR A 85 -16.424 4.290 -6.523 1.00 0.53 H new ATOM 0 HB THR A 85 -17.064 5.396 -8.483 1.00 0.56 H new ATOM 0 HG1 THR A 85 -18.893 3.230 -9.017 1.00 0.64 H new ATOM 0 HG21 THR A 85 -16.407 3.972 -10.390 1.00 0.65 H new ATOM 0 HG22 THR A 85 -15.332 3.740 -8.991 1.00 0.65 H new ATOM 0 HG23 THR A 85 -16.581 2.528 -9.363 1.00 0.65 H new ATOM 1383 N SER A 86 -19.235 3.257 -5.713 1.00 1.21 N ATOM 1384 CA SER A 86 -20.490 3.522 -5.018 1.00 1.44 C ATOM 1385 C SER A 86 -20.260 4.352 -3.759 1.00 0.94 C ATOM 1386 O SER A 86 -20.495 5.559 -3.752 1.00 1.80 O ATOM 1387 CB SER A 86 -21.187 2.209 -4.664 1.00 2.34 C ATOM 1388 OG SER A 86 -20.303 1.326 -3.997 1.00 2.95 O ATOM 0 H SER A 86 -18.930 2.284 -5.680 1.00 1.21 H new ATOM 0 HA SER A 86 -21.130 4.095 -5.688 1.00 1.44 H new ATOM 0 HB2 SER A 86 -22.050 2.411 -4.030 1.00 2.34 H new ATOM 0 HB3 SER A 86 -21.562 1.736 -5.572 1.00 2.34 H new ATOM 0 HG SER A 86 -20.774 0.494 -3.780 1.00 2.95 H new ATOM 1394 N SER A 87 -19.800 3.701 -2.698 1.00 0.79 N ATOM 1395 CA SER A 87 -19.542 4.382 -1.436 1.00 1.15 C ATOM 1396 C SER A 87 -18.519 3.610 -0.615 1.00 0.95 C ATOM 1397 O SER A 87 -17.473 4.144 -0.245 1.00 0.92 O ATOM 1398 CB SER A 87 -20.840 4.536 -0.640 1.00 1.76 C ATOM 1399 OG SER A 87 -21.826 5.214 -1.398 1.00 2.42 O ATOM 0 H SER A 87 -19.598 2.701 -2.687 1.00 0.79 H new ATOM 0 HA SER A 87 -19.142 5.372 -1.655 1.00 1.15 H new ATOM 0 HB2 SER A 87 -21.212 3.553 -0.351 1.00 1.76 H new ATOM 0 HB3 SER A 87 -20.643 5.086 0.280 1.00 1.76 H new ATOM 0 HG SER A 87 -22.646 5.298 -0.868 1.00 2.42 H new ATOM 1405 N SER A 88 -18.831 2.349 -0.333 1.00 0.90 N ATOM 1406 CA SER A 88 -17.936 1.494 0.436 1.00 0.79 C ATOM 1407 C SER A 88 -16.668 1.212 -0.356 1.00 0.60 C ATOM 1408 O SER A 88 -15.644 0.828 0.206 1.00 0.53 O ATOM 1409 CB SER A 88 -18.626 0.177 0.791 1.00 0.91 C ATOM 1410 OG SER A 88 -19.834 0.404 1.494 1.00 1.36 O ATOM 0 H SER A 88 -19.697 1.897 -0.626 1.00 0.90 H new ATOM 0 HA SER A 88 -17.674 2.014 1.358 1.00 0.79 H new ATOM 0 HB2 SER A 88 -18.833 -0.385 -0.120 1.00 0.91 H new ATOM 0 HB3 SER A 88 -17.958 -0.434 1.398 1.00 0.91 H new ATOM 0 HG SER A 88 -20.255 -0.455 1.707 1.00 1.36 H new ATOM 1416 N ALA A 89 -16.750 1.404 -1.669 1.00 0.54 N ATOM 1417 CA ALA A 89 -15.614 1.173 -2.548 1.00 0.40 C ATOM 1418 C ALA A 89 -14.504 2.178 -2.275 1.00 0.33 C ATOM 1419 O ALA A 89 -13.323 1.851 -2.364 1.00 0.29 O ATOM 1420 CB ALA A 89 -16.050 1.249 -4.002 1.00 0.39 C ATOM 0 H ALA A 89 -17.594 1.720 -2.146 1.00 0.54 H new ATOM 0 HA ALA A 89 -15.225 0.174 -2.349 1.00 0.40 H new ATOM 0 HB1 ALA A 89 -15.190 1.074 -4.649 1.00 0.39 H new ATOM 0 HB2 ALA A 89 -16.809 0.491 -4.194 1.00 0.39 H new ATOM 0 HB3 ALA A 89 -16.464 2.236 -4.207 1.00 0.39 H new ATOM 1426 N ALA A 90 -14.892 3.404 -1.945 1.00 0.37 N ATOM 1427 CA ALA A 90 -13.926 4.455 -1.656 1.00 0.35 C ATOM 1428 C ALA A 90 -13.249 4.210 -0.314 1.00 0.34 C ATOM 1429 O ALA A 90 -12.034 4.358 -0.184 1.00 0.32 O ATOM 1430 CB ALA A 90 -14.604 5.815 -1.671 1.00 0.42 C ATOM 0 H ALA A 90 -15.867 3.694 -1.871 1.00 0.37 H new ATOM 0 HA ALA A 90 -13.160 4.441 -2.431 1.00 0.35 H new ATOM 0 HB1 ALA A 90 -13.869 6.590 -1.453 1.00 0.42 H new ATOM 0 HB2 ALA A 90 -15.040 5.994 -2.654 1.00 0.42 H new ATOM 0 HB3 ALA A 90 -15.390 5.838 -0.916 1.00 0.42 H new ATOM 1436 N SER A 91 -14.046 3.833 0.680 1.00 0.38 N ATOM 1437 CA SER A 91 -13.528 3.558 2.015 1.00 0.39 C ATOM 1438 C SER A 91 -12.646 2.316 2.000 1.00 0.36 C ATOM 1439 O SER A 91 -11.637 2.247 2.702 1.00 0.36 O ATOM 1440 CB SER A 91 -14.681 3.369 3.002 1.00 0.45 C ATOM 1441 OG SER A 91 -14.198 3.113 4.307 1.00 1.35 O ATOM 0 H SER A 91 -15.054 3.711 0.586 1.00 0.38 H new ATOM 0 HA SER A 91 -12.926 4.410 2.333 1.00 0.39 H new ATOM 0 HB2 SER A 91 -15.306 4.262 3.011 1.00 0.45 H new ATOM 0 HB3 SER A 91 -15.311 2.542 2.675 1.00 0.45 H new ATOM 0 HG SER A 91 -14.955 2.998 4.919 1.00 1.35 H new ATOM 1447 N SER A 92 -13.037 1.335 1.192 1.00 0.34 N ATOM 1448 CA SER A 92 -12.285 0.094 1.075 1.00 0.33 C ATOM 1449 C SER A 92 -10.971 0.344 0.349 1.00 0.29 C ATOM 1450 O SER A 92 -9.910 -0.093 0.793 1.00 0.29 O ATOM 1451 CB SER A 92 -13.107 -0.957 0.326 1.00 0.35 C ATOM 1452 OG SER A 92 -12.445 -2.209 0.314 1.00 1.41 O ATOM 0 H SER A 92 -13.872 1.378 0.608 1.00 0.34 H new ATOM 0 HA SER A 92 -12.070 -0.279 2.076 1.00 0.33 H new ATOM 0 HB2 SER A 92 -14.084 -1.063 0.798 1.00 0.35 H new ATOM 0 HB3 SER A 92 -13.282 -0.625 -0.697 1.00 0.35 H new ATOM 0 HG SER A 92 -12.992 -2.863 -0.169 1.00 1.41 H new ATOM 1458 N LEU A 93 -11.055 1.052 -0.772 1.00 0.27 N ATOM 1459 CA LEU A 93 -9.877 1.378 -1.561 1.00 0.24 C ATOM 1460 C LEU A 93 -8.972 2.328 -0.792 1.00 0.26 C ATOM 1461 O LEU A 93 -7.781 2.431 -1.076 1.00 0.27 O ATOM 1462 CB LEU A 93 -10.285 2.000 -2.899 1.00 0.21 C ATOM 1463 CG LEU A 93 -10.446 1.014 -4.061 1.00 0.23 C ATOM 1464 CD1 LEU A 93 -9.087 0.511 -4.520 1.00 0.23 C ATOM 1465 CD2 LEU A 93 -11.341 -0.154 -3.666 1.00 0.29 C ATOM 0 H LEU A 93 -11.930 1.411 -1.154 1.00 0.27 H new ATOM 0 HA LEU A 93 -9.328 0.457 -1.759 1.00 0.24 H new ATOM 0 HB2 LEU A 93 -11.227 2.530 -2.761 1.00 0.21 H new ATOM 0 HB3 LEU A 93 -9.539 2.744 -3.177 1.00 0.21 H new ATOM 0 HG LEU A 93 -10.922 1.539 -4.889 1.00 0.23 H new ATOM 0 HD11 LEU A 93 -9.218 -0.188 -5.346 1.00 0.23 H new ATOM 0 HD12 LEU A 93 -8.480 1.354 -4.851 1.00 0.23 H new ATOM 0 HD13 LEU A 93 -8.587 0.007 -3.693 1.00 0.23 H new ATOM 0 HD21 LEU A 93 -11.439 -0.839 -4.508 1.00 0.29 H new ATOM 0 HD22 LEU A 93 -10.900 -0.681 -2.820 1.00 0.29 H new ATOM 0 HD23 LEU A 93 -12.326 0.220 -3.387 1.00 0.29 H new ATOM 1477 N LYS A 94 -9.551 3.026 0.181 1.00 0.29 N ATOM 1478 CA LYS A 94 -8.796 3.957 1.007 1.00 0.33 C ATOM 1479 C LYS A 94 -7.858 3.192 1.930 1.00 0.34 C ATOM 1480 O LYS A 94 -6.692 3.554 2.091 1.00 0.36 O ATOM 1481 CB LYS A 94 -9.744 4.832 1.833 1.00 0.38 C ATOM 1482 CG LYS A 94 -9.033 5.759 2.807 1.00 0.44 C ATOM 1483 CD LYS A 94 -8.176 6.784 2.084 1.00 0.43 C ATOM 1484 CE LYS A 94 -7.385 7.632 3.064 1.00 0.41 C ATOM 1485 NZ LYS A 94 -6.359 6.832 3.789 1.00 0.48 N ATOM 0 H LYS A 94 -10.542 2.963 0.415 1.00 0.29 H new ATOM 0 HA LYS A 94 -8.207 4.602 0.354 1.00 0.33 H new ATOM 0 HB2 LYS A 94 -10.354 5.430 1.156 1.00 0.38 H new ATOM 0 HB3 LYS A 94 -10.425 4.188 2.390 1.00 0.38 H new ATOM 0 HG2 LYS A 94 -9.770 6.272 3.425 1.00 0.44 H new ATOM 0 HG3 LYS A 94 -8.408 5.171 3.479 1.00 0.44 H new ATOM 0 HD2 LYS A 94 -7.492 6.275 1.405 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -8.811 7.426 1.474 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -6.898 8.447 2.528 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -8.066 8.086 3.784 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -6.585 6.816 4.804 1.00 0.48 H new ATOM 0 HZ2 LYS A 94 -6.352 5.860 3.420 1.00 0.48 H new ATOM 0 HZ3 LYS A 94 -5.422 7.261 3.650 1.00 0.48 H new ATOM 1499 N LYS A 95 -8.380 2.127 2.531 1.00 0.34 N ATOM 1500 CA LYS A 95 -7.594 1.300 3.433 1.00 0.37 C ATOM 1501 C LYS A 95 -6.666 0.390 2.638 1.00 0.35 C ATOM 1502 O LYS A 95 -5.594 0.020 3.109 1.00 0.39 O ATOM 1503 CB LYS A 95 -8.511 0.473 4.337 1.00 0.40 C ATOM 1504 CG LYS A 95 -7.779 -0.230 5.470 1.00 0.50 C ATOM 1505 CD LYS A 95 -8.709 -0.514 6.640 1.00 0.96 C ATOM 1506 CE LYS A 95 -7.972 -1.164 7.800 1.00 1.08 C ATOM 1507 NZ LYS A 95 -7.520 -2.543 7.469 1.00 1.19 N ATOM 0 H LYS A 95 -9.344 1.818 2.408 1.00 0.34 H new ATOM 0 HA LYS A 95 -6.988 1.951 4.063 1.00 0.37 H new ATOM 0 HB2 LYS A 95 -9.275 1.126 4.759 1.00 0.40 H new ATOM 0 HB3 LYS A 95 -9.027 -0.272 3.732 1.00 0.40 H new ATOM 0 HG2 LYS A 95 -7.354 -1.165 5.106 1.00 0.50 H new ATOM 0 HG3 LYS A 95 -6.947 0.388 5.807 1.00 0.50 H new ATOM 0 HD2 LYS A 95 -9.166 0.417 6.975 1.00 0.96 H new ATOM 0 HD3 LYS A 95 -9.518 -1.166 6.312 1.00 0.96 H new ATOM 0 HE2 LYS A 95 -7.109 -0.554 8.069 1.00 1.08 H new ATOM 0 HE3 LYS A 95 -8.625 -1.196 8.672 1.00 1.08 H new ATOM 0 HZ1 LYS A 95 -7.098 -2.982 8.312 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -8.334 -3.109 7.155 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -6.812 -2.503 6.708 1.00 1.19 H new ATOM 1521 N GLN A 96 -7.087 0.038 1.424 1.00 0.30 N ATOM 1522 CA GLN A 96 -6.286 -0.816 0.554 1.00 0.30 C ATOM 1523 C GLN A 96 -5.154 -0.014 -0.074 1.00 0.31 C ATOM 1524 O GLN A 96 -4.088 -0.551 -0.374 1.00 0.35 O ATOM 1525 CB GLN A 96 -7.158 -1.437 -0.541 1.00 0.29 C ATOM 1526 CG GLN A 96 -8.138 -2.476 -0.022 1.00 0.33 C ATOM 1527 CD GLN A 96 -7.447 -3.655 0.633 1.00 0.57 C ATOM 1528 OE1 GLN A 96 -6.335 -4.026 0.257 1.00 1.01 O ATOM 1529 NE2 GLN A 96 -8.103 -4.250 1.621 1.00 1.11 N ATOM 0 H GLN A 96 -7.978 0.332 1.023 1.00 0.30 H new ATOM 0 HA GLN A 96 -5.860 -1.618 1.157 1.00 0.30 H new ATOM 0 HB2 GLN A 96 -7.713 -0.645 -1.044 1.00 0.29 H new ATOM 0 HB3 GLN A 96 -6.513 -1.899 -1.289 1.00 0.29 H new ATOM 0 HG2 GLN A 96 -8.810 -2.008 0.697 1.00 0.33 H new ATOM 0 HG3 GLN A 96 -8.754 -2.833 -0.848 1.00 0.33 H new ATOM 0 HE21 GLN A 96 -9.023 -3.909 1.900 1.00 1.11 H new ATOM 0 HE22 GLN A 96 -7.687 -5.048 2.101 1.00 1.11 H new ATOM 1538 N TYR A 97 -5.400 1.278 -0.268 1.00 0.30 N ATOM 1539 CA TYR A 97 -4.406 2.172 -0.847 1.00 0.32 C ATOM 1540 C TYR A 97 -3.267 2.394 0.139 1.00 0.36 C ATOM 1541 O TYR A 97 -2.095 2.354 -0.231 1.00 0.41 O ATOM 1542 CB TYR A 97 -5.053 3.508 -1.225 1.00 0.33 C ATOM 1543 CG TYR A 97 -4.065 4.627 -1.471 1.00 0.32 C ATOM 1544 CD1 TYR A 97 -3.369 4.718 -2.669 1.00 0.37 C ATOM 1545 CD2 TYR A 97 -3.834 5.594 -0.501 1.00 0.33 C ATOM 1546 CE1 TYR A 97 -2.469 5.743 -2.893 1.00 0.38 C ATOM 1547 CE2 TYR A 97 -2.936 6.620 -0.717 1.00 0.36 C ATOM 1548 CZ TYR A 97 -2.257 6.691 -1.914 1.00 0.36 C ATOM 1549 OH TYR A 97 -1.363 7.714 -2.132 1.00 0.41 O ATOM 0 H TYR A 97 -6.283 1.730 -0.031 1.00 0.30 H new ATOM 0 HA TYR A 97 -4.002 1.714 -1.750 1.00 0.32 H new ATOM 0 HB2 TYR A 97 -5.655 3.366 -2.122 1.00 0.33 H new ATOM 0 HB3 TYR A 97 -5.734 3.808 -0.428 1.00 0.33 H new ATOM 0 HD1 TYR A 97 -3.533 3.977 -3.437 1.00 0.37 H new ATOM 0 HD2 TYR A 97 -4.366 5.542 0.438 1.00 0.33 H new ATOM 0 HE1 TYR A 97 -1.935 5.801 -3.830 1.00 0.38 H new ATOM 0 HE2 TYR A 97 -2.767 7.363 0.048 1.00 0.36 H new ATOM 0 HH TYR A 97 -0.854 7.884 -1.312 1.00 0.41 H new ATOM 1559 N ILE A 98 -3.624 2.631 1.397 1.00 0.37 N ATOM 1560 CA ILE A 98 -2.634 2.848 2.440 1.00 0.42 C ATOM 1561 C ILE A 98 -1.948 1.537 2.803 1.00 0.41 C ATOM 1562 O ILE A 98 -0.783 1.520 3.194 1.00 0.41 O ATOM 1563 CB ILE A 98 -3.263 3.469 3.703 1.00 0.44 C ATOM 1564 CG1 ILE A 98 -4.363 2.560 4.259 1.00 0.41 C ATOM 1565 CG2 ILE A 98 -3.818 4.851 3.385 1.00 0.47 C ATOM 1566 CD1 ILE A 98 -4.905 3.009 5.601 1.00 0.44 C ATOM 0 H ILE A 98 -4.592 2.677 1.717 1.00 0.37 H new ATOM 0 HA ILE A 98 -1.897 3.548 2.047 1.00 0.42 H new ATOM 0 HB ILE A 98 -2.490 3.571 4.465 1.00 0.44 H new ATOM 0 HG12 ILE A 98 -5.183 2.517 3.542 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -3.971 1.548 4.356 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -4.260 5.281 4.284 1.00 0.47 H new ATOM 0 HG22 ILE A 98 -3.012 5.495 3.033 1.00 0.47 H new ATOM 0 HG23 ILE A 98 -4.580 4.768 2.610 1.00 0.47 H new ATOM 0 HD11 ILE A 98 -5.680 2.317 5.931 1.00 0.44 H new ATOM 0 HD12 ILE A 98 -4.097 3.025 6.333 1.00 0.44 H new ATOM 0 HD13 ILE A 98 -5.328 4.009 5.506 1.00 0.44 H new ATOM 1578 N GLN A 99 -2.680 0.435 2.667 1.00 0.44 N ATOM 1579 CA GLN A 99 -2.131 -0.879 2.966 1.00 0.45 C ATOM 1580 C GLN A 99 -1.079 -1.245 1.927 1.00 0.47 C ATOM 1581 O GLN A 99 -0.025 -1.785 2.260 1.00 0.52 O ATOM 1582 CB GLN A 99 -3.239 -1.935 2.983 1.00 0.42 C ATOM 1583 CG GLN A 99 -3.023 -3.034 4.011 1.00 0.43 C ATOM 1584 CD GLN A 99 -3.180 -2.539 5.435 1.00 1.26 C ATOM 1585 OE1 GLN A 99 -3.939 -1.608 5.701 1.00 2.14 O ATOM 1586 NE2 GLN A 99 -2.461 -3.162 6.360 1.00 1.84 N ATOM 0 H GLN A 99 -3.650 0.428 2.353 1.00 0.44 H new ATOM 0 HA GLN A 99 -1.669 -0.848 3.953 1.00 0.45 H new ATOM 0 HB2 GLN A 99 -4.192 -1.445 3.183 1.00 0.42 H new ATOM 0 HB3 GLN A 99 -3.314 -2.386 1.993 1.00 0.42 H new ATOM 0 HG2 GLN A 99 -3.734 -3.840 3.830 1.00 0.43 H new ATOM 0 HG3 GLN A 99 -2.025 -3.454 3.884 1.00 0.43 H new ATOM 0 HE21 GLN A 99 -1.844 -3.930 6.095 1.00 1.84 H new ATOM 0 HE22 GLN A 99 -2.525 -2.873 7.336 1.00 1.84 H new ATOM 1595 N CYS A 100 -1.376 -0.930 0.666 1.00 0.45 N ATOM 1596 CA CYS A 100 -0.466 -1.212 -0.441 1.00 0.49 C ATOM 1597 C CYS A 100 0.740 -0.281 -0.413 1.00 0.60 C ATOM 1598 O CYS A 100 1.885 -0.732 -0.411 1.00 0.72 O ATOM 1599 CB CYS A 100 -1.188 -1.056 -1.782 1.00 0.43 C ATOM 1600 SG CYS A 100 -2.393 -2.353 -2.139 1.00 0.55 S ATOM 0 H CYS A 100 -2.246 -0.477 0.386 1.00 0.45 H new ATOM 0 HA CYS A 100 -0.122 -2.240 -0.328 1.00 0.49 H new ATOM 0 HB2 CYS A 100 -1.696 -0.092 -1.797 1.00 0.43 H new ATOM 0 HB3 CYS A 100 -0.446 -1.038 -2.580 1.00 0.43 H new ATOM 0 HG CYS A 100 -3.508 -2.090 -1.525 1.00 0.55 H new ATOM 1606 N LEU A 101 0.471 1.020 -0.399 1.00 0.63 N ATOM 1607 CA LEU A 101 1.529 2.022 -0.384 1.00 0.81 C ATOM 1608 C LEU A 101 1.894 2.415 1.051 1.00 0.75 C ATOM 1609 O LEU A 101 2.245 1.556 1.855 1.00 0.85 O ATOM 1610 CB LEU A 101 1.109 3.250 -1.203 1.00 1.26 C ATOM 1611 CG LEU A 101 1.016 3.030 -2.719 1.00 0.67 C ATOM 1612 CD1 LEU A 101 -0.174 2.153 -3.072 1.00 1.58 C ATOM 1613 CD2 LEU A 101 0.923 4.362 -3.446 1.00 1.42 C ATOM 0 H LEU A 101 -0.473 1.405 -0.398 1.00 0.63 H new ATOM 0 HA LEU A 101 2.419 1.591 -0.843 1.00 0.81 H new ATOM 0 HB2 LEU A 101 0.139 3.592 -0.842 1.00 1.26 H new ATOM 0 HB3 LEU A 101 1.821 4.053 -1.013 1.00 1.26 H new ATOM 0 HG LEU A 101 1.923 2.518 -3.040 1.00 0.67 H new ATOM 0 HD11 LEU A 101 -0.216 2.014 -4.152 1.00 1.58 H new ATOM 0 HD12 LEU A 101 -0.069 1.184 -2.585 1.00 1.58 H new ATOM 0 HD13 LEU A 101 -1.092 2.632 -2.732 1.00 1.58 H new ATOM 0 HD21 LEU A 101 0.858 4.187 -4.520 1.00 1.42 H new ATOM 0 HD22 LEU A 101 0.035 4.898 -3.111 1.00 1.42 H new ATOM 0 HD23 LEU A 101 1.810 4.958 -3.229 1.00 1.42 H new ATOM 1625 N TYR A 102 1.807 3.709 1.369 1.00 0.74 N ATOM 1626 CA TYR A 102 2.142 4.206 2.705 1.00 0.90 C ATOM 1627 C TYR A 102 3.571 3.818 3.083 1.00 0.96 C ATOM 1628 O TYR A 102 4.507 4.579 2.846 1.00 1.13 O ATOM 1629 CB TYR A 102 1.153 3.685 3.750 1.00 0.98 C ATOM 1630 CG TYR A 102 0.892 4.666 4.869 1.00 1.21 C ATOM 1631 CD1 TYR A 102 1.874 4.962 5.805 1.00 1.75 C ATOM 1632 CD2 TYR A 102 -0.336 5.304 4.982 1.00 0.96 C ATOM 1633 CE1 TYR A 102 1.638 5.865 6.824 1.00 1.99 C ATOM 1634 CE2 TYR A 102 -0.579 6.209 5.996 1.00 1.21 C ATOM 1635 CZ TYR A 102 0.410 6.486 6.915 1.00 1.70 C ATOM 1636 OH TYR A 102 0.172 7.387 7.926 1.00 1.96 O ATOM 0 H TYR A 102 1.506 4.433 0.717 1.00 0.74 H new ATOM 0 HA TYR A 102 2.072 5.294 2.684 1.00 0.90 H new ATOM 0 HB2 TYR A 102 0.210 3.445 3.259 1.00 0.98 H new ATOM 0 HB3 TYR A 102 1.537 2.757 4.173 1.00 0.98 H new ATOM 0 HD1 TYR A 102 2.837 4.479 5.736 1.00 1.75 H new ATOM 0 HD2 TYR A 102 -1.114 5.089 4.265 1.00 0.96 H new ATOM 0 HE1 TYR A 102 2.411 6.083 7.546 1.00 1.99 H new ATOM 0 HE2 TYR A 102 -1.539 6.697 6.069 1.00 1.21 H new ATOM 0 HH TYR A 102 -0.741 7.734 7.846 1.00 1.96 H new ATOM 1646 N ALA A 103 3.738 2.638 3.680 1.00 0.96 N ATOM 1647 CA ALA A 103 5.064 2.164 4.051 1.00 1.15 C ATOM 1648 C ALA A 103 5.903 1.999 2.795 1.00 1.04 C ATOM 1649 O ALA A 103 7.119 2.191 2.802 1.00 1.16 O ATOM 1650 CB ALA A 103 4.969 0.847 4.808 1.00 1.39 C ATOM 0 H ALA A 103 2.977 2.000 3.914 1.00 0.96 H new ATOM 0 HA ALA A 103 5.537 2.894 4.708 1.00 1.15 H new ATOM 0 HB1 ALA A 103 5.970 0.509 5.077 1.00 1.39 H new ATOM 0 HB2 ALA A 103 4.379 0.989 5.713 1.00 1.39 H new ATOM 0 HB3 ALA A 103 4.490 0.098 4.177 1.00 1.39 H new ATOM 1656 N PHE A 104 5.221 1.643 1.716 1.00 0.87 N ATOM 1657 CA PHE A 104 5.851 1.457 0.422 1.00 0.87 C ATOM 1658 C PHE A 104 6.125 2.816 -0.217 1.00 0.85 C ATOM 1659 O PHE A 104 7.041 2.963 -1.028 1.00 0.93 O ATOM 1660 CB PHE A 104 4.941 0.596 -0.460 1.00 0.96 C ATOM 1661 CG PHE A 104 5.138 0.781 -1.933 1.00 1.89 C ATOM 1662 CD1 PHE A 104 6.105 0.063 -2.613 1.00 2.36 C ATOM 1663 CD2 PHE A 104 4.344 1.668 -2.638 1.00 2.80 C ATOM 1664 CE1 PHE A 104 6.279 0.228 -3.972 1.00 3.48 C ATOM 1665 CE2 PHE A 104 4.511 1.837 -3.996 1.00 4.03 C ATOM 1666 CZ PHE A 104 5.480 1.116 -4.664 1.00 4.31 C ATOM 0 H PHE A 104 4.215 1.475 1.716 1.00 0.87 H new ATOM 0 HA PHE A 104 6.806 0.944 0.537 1.00 0.87 H new ATOM 0 HB2 PHE A 104 5.107 -0.453 -0.214 1.00 0.96 H new ATOM 0 HB3 PHE A 104 3.903 0.821 -0.215 1.00 0.96 H new ATOM 0 HD1 PHE A 104 6.730 -0.634 -2.075 1.00 2.36 H new ATOM 0 HD2 PHE A 104 3.585 2.234 -2.119 1.00 2.80 H new ATOM 0 HE1 PHE A 104 7.038 -0.336 -4.493 1.00 3.48 H new ATOM 0 HE2 PHE A 104 3.885 2.532 -4.536 1.00 4.03 H new ATOM 0 HZ PHE A 104 5.613 1.246 -5.728 1.00 4.31 H new ATOM 1676 N GLU A 105 5.321 3.807 0.162 1.00 0.90 N ATOM 1677 CA GLU A 105 5.480 5.162 -0.349 1.00 1.14 C ATOM 1678 C GLU A 105 6.866 5.680 0.014 1.00 1.25 C ATOM 1679 O GLU A 105 7.513 6.373 -0.772 1.00 1.40 O ATOM 1680 CB GLU A 105 4.391 6.073 0.224 1.00 1.31 C ATOM 1681 CG GLU A 105 4.279 7.417 -0.474 1.00 1.56 C ATOM 1682 CD GLU A 105 5.295 8.421 0.027 1.00 2.56 C ATOM 1683 OE1 GLU A 105 5.130 8.914 1.162 1.00 3.26 O ATOM 1684 OE2 GLU A 105 6.252 8.718 -0.717 1.00 2.95 O ATOM 0 H GLU A 105 4.552 3.694 0.823 1.00 0.90 H new ATOM 0 HA GLU A 105 5.379 5.156 -1.434 1.00 1.14 H new ATOM 0 HB2 GLU A 105 3.431 5.560 0.159 1.00 1.31 H new ATOM 0 HB3 GLU A 105 4.592 6.240 1.282 1.00 1.31 H new ATOM 0 HG2 GLU A 105 4.411 7.277 -1.547 1.00 1.56 H new ATOM 0 HG3 GLU A 105 3.276 7.816 -0.326 1.00 1.56 H new ATOM 1691 N CYS A 106 7.314 5.329 1.216 1.00 1.26 N ATOM 1692 CA CYS A 106 8.635 5.719 1.687 1.00 1.44 C ATOM 1693 C CYS A 106 9.674 4.763 1.117 1.00 1.36 C ATOM 1694 O CYS A 106 10.867 5.063 1.083 1.00 1.50 O ATOM 1695 CB CYS A 106 8.685 5.704 3.216 1.00 1.58 C ATOM 1696 SG CYS A 106 10.307 6.103 3.909 1.00 1.89 S ATOM 0 H CYS A 106 6.778 4.773 1.882 1.00 1.26 H new ATOM 0 HA CYS A 106 8.850 6.733 1.349 1.00 1.44 H new ATOM 0 HB2 CYS A 106 7.954 6.416 3.599 1.00 1.58 H new ATOM 0 HB3 CYS A 106 8.385 4.717 3.568 1.00 1.58 H new ATOM 0 HG CYS A 106 11.232 5.820 3.040 1.00 1.89 H new ATOM 1702 N LYS A 107 9.197 3.602 0.673 1.00 1.19 N ATOM 1703 CA LYS A 107 10.058 2.585 0.085 1.00 1.19 C ATOM 1704 C LYS A 107 10.045 2.702 -1.436 1.00 1.18 C ATOM 1705 O LYS A 107 10.420 1.770 -2.147 1.00 1.25 O ATOM 1706 CB LYS A 107 9.598 1.188 0.506 1.00 1.17 C ATOM 1707 CG LYS A 107 10.646 0.107 0.280 1.00 1.31 C ATOM 1708 CD LYS A 107 10.056 -1.286 0.429 1.00 1.24 C ATOM 1709 CE LYS A 107 9.137 -1.632 -0.733 1.00 2.00 C ATOM 1710 NZ LYS A 107 9.855 -1.602 -2.036 1.00 2.84 N ATOM 0 H LYS A 107 8.211 3.344 0.711 1.00 1.19 H new ATOM 0 HA LYS A 107 11.075 2.741 0.444 1.00 1.19 H new ATOM 0 HB2 LYS A 107 9.329 1.206 1.562 1.00 1.17 H new ATOM 0 HB3 LYS A 107 8.696 0.929 -0.048 1.00 1.17 H new ATOM 0 HG2 LYS A 107 11.073 0.217 -0.717 1.00 1.31 H new ATOM 0 HG3 LYS A 107 11.461 0.235 0.992 1.00 1.31 H new ATOM 0 HD2 LYS A 107 10.861 -2.018 0.487 1.00 1.24 H new ATOM 0 HD3 LYS A 107 9.500 -1.348 1.364 1.00 1.24 H new ATOM 0 HE2 LYS A 107 8.711 -2.623 -0.576 1.00 2.00 H new ATOM 0 HE3 LYS A 107 8.305 -0.928 -0.760 1.00 2.00 H new ATOM 0 HZ1 LYS A 107 9.331 -2.167 -2.734 1.00 2.84 H new ATOM 0 HZ2 LYS A 107 9.928 -0.620 -2.369 1.00 2.84 H new ATOM 0 HZ3 LYS A 107 10.809 -1.999 -1.916 1.00 2.84 H new ATOM 1724 N ILE A 108 9.617 3.862 -1.928 1.00 1.14 N ATOM 1725 CA ILE A 108 9.560 4.109 -3.364 1.00 1.20 C ATOM 1726 C ILE A 108 9.992 5.539 -3.689 1.00 1.36 C ATOM 1727 O ILE A 108 10.420 5.833 -4.805 1.00 1.39 O ATOM 1728 CB ILE A 108 8.141 3.840 -3.927 1.00 1.14 C ATOM 1729 CG1 ILE A 108 8.222 2.953 -5.174 1.00 1.21 C ATOM 1730 CG2 ILE A 108 7.404 5.139 -4.238 1.00 1.42 C ATOM 1731 CD1 ILE A 108 9.074 3.527 -6.286 1.00 1.07 C ATOM 0 H ILE A 108 9.305 4.644 -1.353 1.00 1.14 H new ATOM 0 HA ILE A 108 10.254 3.417 -3.842 1.00 1.20 H new ATOM 0 HB ILE A 108 7.572 3.316 -3.159 1.00 1.14 H new ATOM 0 HG12 ILE A 108 8.622 1.980 -4.889 1.00 1.21 H new ATOM 0 HG13 ILE A 108 7.214 2.784 -5.553 1.00 1.21 H new ATOM 0 HG21 ILE A 108 6.413 4.910 -4.631 1.00 1.42 H new ATOM 0 HG22 ILE A 108 7.306 5.729 -3.327 1.00 1.42 H new ATOM 0 HG23 ILE A 108 7.966 5.707 -4.979 1.00 1.42 H new ATOM 0 HD11 ILE A 108 9.080 2.839 -7.132 1.00 1.07 H new ATOM 0 HD12 ILE A 108 8.663 4.486 -6.601 1.00 1.07 H new ATOM 0 HD13 ILE A 108 10.093 3.669 -5.927 1.00 1.07 H new