USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 557 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 3 LYS NZ :NH3+ -136:sc= 0.896 (180deg=-0.983!) USER MOD Set 1.2: A 17 THR OG1 : rot -180:sc= 0.95 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 170:sc= -0.0029 (180deg=-0.112) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 0:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= -0.0543 (180deg=-0.364) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.2) USER MOD Single : A 21 LYS NZ :NH3+ 148:sc= 1.25 (180deg=0.0041!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -118:sc= -0.723 (180deg=-1.4) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 47:sc= 1.28 USER MOD Single : A 37 ASN : amide:sc= -0.734 K(o=-0.73,f=-0.12) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 2.05 (180deg=1.91) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00111 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -128:sc= 0.827 (180deg=-1.88!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.595 -11.956 -9.445 1.00 4.12 N ATOM 2 CA MET A 1 -3.481 -11.475 -8.363 1.00 3.25 C ATOM 3 C MET A 1 -2.652 -11.051 -7.159 1.00 2.66 C ATOM 4 O MET A 1 -1.844 -11.821 -6.649 1.00 3.04 O ATOM 5 CB MET A 1 -4.472 -12.570 -7.961 1.00 3.39 C ATOM 6 CG MET A 1 -5.414 -12.159 -6.842 1.00 3.39 C ATOM 7 SD MET A 1 -6.541 -13.480 -6.360 1.00 4.40 S ATOM 8 CE MET A 1 -7.519 -12.643 -5.115 1.00 4.67 C ATOM 0 H1 MET A 1 -3.170 -12.243 -10.263 1.00 4.12 H new ATOM 0 H2 MET A 1 -1.947 -11.193 -9.728 1.00 4.12 H new ATOM 0 H3 MET A 1 -2.044 -12.770 -9.106 1.00 4.12 H new ATOM 0 HA MET A 1 -4.042 -10.614 -8.727 1.00 3.25 H new ATOM 0 HB2 MET A 1 -5.060 -12.854 -8.834 1.00 3.39 H new ATOM 0 HB3 MET A 1 -3.916 -13.455 -7.650 1.00 3.39 H new ATOM 0 HG2 MET A 1 -4.829 -11.852 -5.975 1.00 3.39 H new ATOM 0 HG3 MET A 1 -5.992 -11.292 -7.160 1.00 3.39 H new ATOM 0 HE1 MET A 1 -8.266 -13.330 -4.717 1.00 4.67 H new ATOM 0 HE2 MET A 1 -6.869 -12.306 -4.308 1.00 4.67 H new ATOM 0 HE3 MET A 1 -8.018 -11.783 -5.562 1.00 4.67 H new ATOM 20 N VAL A 2 -2.861 -9.825 -6.711 1.00 2.26 N ATOM 21 CA VAL A 2 -2.104 -9.284 -5.594 1.00 2.19 C ATOM 22 C VAL A 2 -2.887 -8.170 -4.899 1.00 1.63 C ATOM 23 O VAL A 2 -3.402 -7.256 -5.544 1.00 1.88 O ATOM 24 CB VAL A 2 -0.712 -8.770 -6.050 1.00 2.84 C ATOM 25 CG1 VAL A 2 -0.838 -7.690 -7.116 1.00 3.27 C ATOM 26 CG2 VAL A 2 0.092 -8.266 -4.862 1.00 3.64 C ATOM 0 H VAL A 2 -3.550 -9.184 -7.104 1.00 2.26 H new ATOM 0 HA VAL A 2 -1.944 -10.092 -4.880 1.00 2.19 H new ATOM 0 HB VAL A 2 -0.178 -9.610 -6.494 1.00 2.84 H new ATOM 0 HG11 VAL A 2 0.156 -7.353 -7.412 1.00 3.27 H new ATOM 0 HG12 VAL A 2 -1.358 -8.095 -7.984 1.00 3.27 H new ATOM 0 HG13 VAL A 2 -1.402 -6.848 -6.716 1.00 3.27 H new ATOM 0 HG21 VAL A 2 1.064 -7.911 -5.205 1.00 3.64 H new ATOM 0 HG22 VAL A 2 -0.444 -7.448 -4.380 1.00 3.64 H new ATOM 0 HG23 VAL A 2 0.234 -9.077 -4.148 1.00 3.64 H new ATOM 36 N LYS A 3 -3.000 -8.278 -3.583 1.00 1.32 N ATOM 37 CA LYS A 3 -3.724 -7.300 -2.782 1.00 1.00 C ATOM 38 C LYS A 3 -3.034 -7.095 -1.439 1.00 1.03 C ATOM 39 O LYS A 3 -1.851 -7.396 -1.291 1.00 1.56 O ATOM 40 CB LYS A 3 -5.172 -7.748 -2.583 1.00 1.17 C ATOM 41 CG LYS A 3 -6.101 -7.312 -3.706 1.00 1.44 C ATOM 42 CD LYS A 3 -6.489 -5.843 -3.586 1.00 1.73 C ATOM 43 CE LYS A 3 -7.059 -5.509 -2.220 1.00 2.34 C ATOM 44 NZ LYS A 3 -7.403 -4.069 -2.116 1.00 3.09 N ATOM 0 H LYS A 3 -2.595 -9.042 -3.042 1.00 1.32 H new ATOM 0 HA LYS A 3 -3.727 -6.348 -3.312 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -5.200 -8.834 -2.500 1.00 1.17 H new ATOM 0 HB3 LYS A 3 -5.542 -7.347 -1.639 1.00 1.17 H new ATOM 0 HG2 LYS A 3 -5.614 -7.481 -4.666 1.00 1.44 H new ATOM 0 HG3 LYS A 3 -7.001 -7.927 -3.692 1.00 1.44 H new ATOM 0 HD2 LYS A 3 -5.614 -5.221 -3.774 1.00 1.73 H new ATOM 0 HD3 LYS A 3 -7.224 -5.599 -4.354 1.00 1.73 H new ATOM 0 HE2 LYS A 3 -7.949 -6.112 -2.038 1.00 2.34 H new ATOM 0 HE3 LYS A 3 -6.335 -5.769 -1.448 1.00 2.34 H new ATOM 0 HZ1 LYS A 3 -7.077 -3.699 -1.200 1.00 3.09 H new ATOM 0 HZ2 LYS A 3 -6.940 -3.545 -2.886 1.00 3.09 H new ATOM 0 HZ3 LYS A 3 -8.434 -3.952 -2.189 1.00 3.09 H new ATOM 58 N VAL A 4 -3.774 -6.590 -0.462 1.00 0.84 N ATOM 59 CA VAL A 4 -3.199 -6.271 0.835 1.00 0.90 C ATOM 60 C VAL A 4 -3.469 -7.384 1.845 1.00 0.82 C ATOM 61 O VAL A 4 -4.596 -7.569 2.296 1.00 0.85 O ATOM 62 CB VAL A 4 -3.759 -4.941 1.387 1.00 1.06 C ATOM 63 CG1 VAL A 4 -3.057 -4.557 2.682 1.00 1.46 C ATOM 64 CG2 VAL A 4 -3.623 -3.827 0.356 1.00 1.31 C ATOM 0 H VAL A 4 -4.771 -6.393 -0.543 1.00 0.84 H new ATOM 0 HA VAL A 4 -2.123 -6.170 0.689 1.00 0.90 H new ATOM 0 HB VAL A 4 -4.819 -5.083 1.600 1.00 1.06 H new ATOM 0 HG11 VAL A 4 -3.467 -3.618 3.053 1.00 1.46 H new ATOM 0 HG12 VAL A 4 -3.211 -5.339 3.425 1.00 1.46 H new ATOM 0 HG13 VAL A 4 -1.989 -4.439 2.496 1.00 1.46 H new ATOM 0 HG21 VAL A 4 -4.024 -2.900 0.767 1.00 1.31 H new ATOM 0 HG22 VAL A 4 -2.571 -3.688 0.107 1.00 1.31 H new ATOM 0 HG23 VAL A 4 -4.177 -4.094 -0.544 1.00 1.31 H new ATOM 74 N LYS A 5 -2.415 -8.112 2.192 1.00 0.79 N ATOM 75 CA LYS A 5 -2.500 -9.153 3.203 1.00 0.77 C ATOM 76 C LYS A 5 -1.536 -8.801 4.330 1.00 0.78 C ATOM 77 O LYS A 5 -0.587 -9.531 4.620 1.00 1.45 O ATOM 78 CB LYS A 5 -2.173 -10.533 2.611 1.00 0.93 C ATOM 79 CG LYS A 5 -2.905 -11.691 3.287 1.00 1.38 C ATOM 80 CD LYS A 5 -2.560 -11.813 4.767 1.00 1.91 C ATOM 81 CE LYS A 5 -3.347 -12.926 5.441 1.00 2.43 C ATOM 82 NZ LYS A 5 -3.033 -14.259 4.864 1.00 2.70 N ATOM 0 H LYS A 5 -1.487 -7.998 1.784 1.00 0.79 H new ATOM 0 HA LYS A 5 -3.518 -9.208 3.588 1.00 0.77 H new ATOM 0 HB2 LYS A 5 -2.422 -10.530 1.550 1.00 0.93 H new ATOM 0 HB3 LYS A 5 -1.099 -10.703 2.686 1.00 0.93 H new ATOM 0 HG2 LYS A 5 -3.980 -11.550 3.178 1.00 1.38 H new ATOM 0 HG3 LYS A 5 -2.652 -12.622 2.780 1.00 1.38 H new ATOM 0 HD2 LYS A 5 -1.493 -12.005 4.877 1.00 1.91 H new ATOM 0 HD3 LYS A 5 -2.767 -10.867 5.268 1.00 1.91 H new ATOM 0 HE2 LYS A 5 -3.125 -12.932 6.508 1.00 2.43 H new ATOM 0 HE3 LYS A 5 -4.414 -12.729 5.338 1.00 2.43 H new ATOM 0 HZ1 LYS A 5 -3.456 -15.002 5.456 1.00 2.70 H new ATOM 0 HZ2 LYS A 5 -3.421 -14.321 3.901 1.00 2.70 H new ATOM 0 HZ3 LYS A 5 -2.002 -14.388 4.830 1.00 2.70 H new ATOM 96 N PHE A 6 -1.755 -7.630 4.899 1.00 0.58 N ATOM 97 CA PHE A 6 -0.947 -7.123 5.997 1.00 0.57 C ATOM 98 C PHE A 6 -1.044 -7.989 7.244 1.00 0.58 C ATOM 99 O PHE A 6 -2.040 -8.671 7.485 1.00 0.85 O ATOM 100 CB PHE A 6 -1.378 -5.692 6.328 1.00 0.59 C ATOM 101 CG PHE A 6 -2.775 -5.578 6.893 1.00 0.58 C ATOM 102 CD1 PHE A 6 -3.870 -6.101 6.218 1.00 0.60 C ATOM 103 CD2 PHE A 6 -2.989 -4.929 8.094 1.00 0.65 C ATOM 104 CE1 PHE A 6 -5.146 -5.982 6.739 1.00 0.65 C ATOM 105 CE2 PHE A 6 -4.262 -4.809 8.617 1.00 0.70 C ATOM 106 CZ PHE A 6 -5.340 -5.334 7.939 1.00 0.67 C ATOM 0 H PHE A 6 -2.503 -6.999 4.612 1.00 0.58 H new ATOM 0 HA PHE A 6 0.093 -7.143 5.672 1.00 0.57 H new ATOM 0 HB2 PHE A 6 -0.673 -5.269 7.044 1.00 0.59 H new ATOM 0 HB3 PHE A 6 -1.314 -5.087 5.423 1.00 0.59 H new ATOM 0 HD1 PHE A 6 -3.724 -6.607 5.275 1.00 0.60 H new ATOM 0 HD2 PHE A 6 -2.150 -4.510 8.631 1.00 0.65 H new ATOM 0 HE1 PHE A 6 -5.989 -6.396 6.206 1.00 0.65 H new ATOM 0 HE2 PHE A 6 -4.412 -4.303 9.559 1.00 0.70 H new ATOM 0 HZ PHE A 6 -6.335 -5.238 8.347 1.00 0.67 H new ATOM 116 N LYS A 7 0.007 -7.949 8.039 1.00 0.53 N ATOM 117 CA LYS A 7 0.020 -8.637 9.308 1.00 0.57 C ATOM 118 C LYS A 7 -0.443 -7.670 10.387 1.00 0.59 C ATOM 119 O LYS A 7 0.256 -6.717 10.725 1.00 0.63 O ATOM 120 CB LYS A 7 1.422 -9.179 9.605 1.00 0.70 C ATOM 121 CG LYS A 7 1.473 -10.143 10.779 1.00 1.34 C ATOM 122 CD LYS A 7 2.830 -10.821 10.872 1.00 1.71 C ATOM 123 CE LYS A 7 2.896 -11.785 12.044 1.00 2.66 C ATOM 124 NZ LYS A 7 4.172 -12.549 12.062 1.00 3.64 N ATOM 0 H LYS A 7 0.866 -7.443 7.824 1.00 0.53 H new ATOM 0 HA LYS A 7 -0.657 -9.491 9.281 1.00 0.57 H new ATOM 0 HB2 LYS A 7 1.802 -9.683 8.716 1.00 0.70 H new ATOM 0 HB3 LYS A 7 2.090 -8.341 9.806 1.00 0.70 H new ATOM 0 HG2 LYS A 7 1.268 -9.605 11.704 1.00 1.34 H new ATOM 0 HG3 LYS A 7 0.693 -10.897 10.669 1.00 1.34 H new ATOM 0 HD2 LYS A 7 3.032 -11.359 9.946 1.00 1.71 H new ATOM 0 HD3 LYS A 7 3.608 -10.065 10.978 1.00 1.71 H new ATOM 0 HE2 LYS A 7 2.792 -11.230 12.977 1.00 2.66 H new ATOM 0 HE3 LYS A 7 2.058 -12.480 11.991 1.00 2.66 H new ATOM 0 HZ1 LYS A 7 4.178 -13.196 12.877 1.00 3.64 H new ATOM 0 HZ2 LYS A 7 4.260 -13.098 11.183 1.00 3.64 H new ATOM 0 HZ3 LYS A 7 4.971 -11.888 12.139 1.00 3.64 H new ATOM 138 N TYR A 8 -1.630 -7.915 10.917 1.00 0.61 N ATOM 139 CA TYR A 8 -2.253 -6.998 11.856 1.00 0.67 C ATOM 140 C TYR A 8 -2.381 -7.674 13.199 1.00 0.85 C ATOM 141 O TYR A 8 -3.101 -8.669 13.312 1.00 0.86 O ATOM 142 CB TYR A 8 -3.642 -6.584 11.361 1.00 0.63 C ATOM 143 CG TYR A 8 -4.318 -5.559 12.246 1.00 0.71 C ATOM 144 CD1 TYR A 8 -4.040 -4.212 12.098 1.00 0.88 C ATOM 145 CD2 TYR A 8 -5.227 -5.936 13.231 1.00 0.82 C ATOM 146 CE1 TYR A 8 -4.644 -3.266 12.899 1.00 1.03 C ATOM 147 CE2 TYR A 8 -5.833 -4.991 14.040 1.00 0.97 C ATOM 148 CZ TYR A 8 -5.534 -3.657 13.868 1.00 1.03 C ATOM 149 OH TYR A 8 -6.125 -2.706 14.667 1.00 1.23 O ATOM 0 H TYR A 8 -2.184 -8.746 10.711 1.00 0.61 H new ATOM 0 HA TYR A 8 -1.632 -6.106 11.944 1.00 0.67 H new ATOM 0 HB2 TYR A 8 -3.554 -6.180 10.353 1.00 0.63 H new ATOM 0 HB3 TYR A 8 -4.274 -7.469 11.296 1.00 0.63 H new ATOM 0 HD1 TYR A 8 -3.337 -3.896 11.341 1.00 0.88 H new ATOM 0 HD2 TYR A 8 -5.463 -6.981 13.366 1.00 0.82 H new ATOM 0 HE1 TYR A 8 -4.417 -2.219 12.764 1.00 1.03 H new ATOM 0 HE2 TYR A 8 -6.536 -5.297 14.801 1.00 0.97 H new ATOM 0 HH TYR A 8 -5.801 -1.817 14.412 1.00 1.23 H new ATOM 159 N LYS A 9 -1.633 -7.193 14.193 1.00 1.11 N ATOM 160 CA LYS A 9 -1.725 -7.728 15.550 1.00 1.36 C ATOM 161 C LYS A 9 -1.158 -9.153 15.566 1.00 1.30 C ATOM 162 O LYS A 9 -1.205 -9.860 16.570 1.00 1.73 O ATOM 163 CB LYS A 9 -3.191 -7.671 16.028 1.00 1.70 C ATOM 164 CG LYS A 9 -3.454 -8.234 17.415 1.00 1.73 C ATOM 165 CD LYS A 9 -2.619 -7.552 18.485 1.00 2.19 C ATOM 166 CE LYS A 9 -3.045 -8.004 19.874 1.00 2.65 C ATOM 167 NZ LYS A 9 -3.156 -9.484 19.972 1.00 2.90 N ATOM 0 H LYS A 9 -0.959 -6.436 14.083 1.00 1.11 H new ATOM 0 HA LYS A 9 -1.135 -7.128 16.243 1.00 1.36 H new ATOM 0 HB2 LYS A 9 -3.520 -6.632 16.009 1.00 1.70 H new ATOM 0 HB3 LYS A 9 -3.809 -8.214 15.312 1.00 1.70 H new ATOM 0 HG2 LYS A 9 -4.511 -8.121 17.656 1.00 1.73 H new ATOM 0 HG3 LYS A 9 -3.240 -9.303 17.417 1.00 1.73 H new ATOM 0 HD2 LYS A 9 -1.565 -7.781 18.331 1.00 2.19 H new ATOM 0 HD3 LYS A 9 -2.726 -6.470 18.401 1.00 2.19 H new ATOM 0 HE2 LYS A 9 -2.324 -7.646 20.608 1.00 2.65 H new ATOM 0 HE3 LYS A 9 -4.005 -7.552 20.123 1.00 2.65 H new ATOM 0 HZ1 LYS A 9 -3.196 -9.764 20.973 1.00 2.90 H new ATOM 0 HZ2 LYS A 9 -4.021 -9.800 19.489 1.00 2.90 H new ATOM 0 HZ3 LYS A 9 -2.328 -9.925 19.522 1.00 2.90 H new ATOM 181 N GLY A 10 -0.588 -9.544 14.430 1.00 1.10 N ATOM 182 CA GLY A 10 -0.029 -10.867 14.281 1.00 1.12 C ATOM 183 C GLY A 10 -1.071 -11.899 13.903 1.00 0.98 C ATOM 184 O GLY A 10 -0.728 -13.003 13.478 1.00 1.11 O ATOM 0 H GLY A 10 -0.505 -8.955 13.601 1.00 1.10 H new ATOM 0 HA2 GLY A 10 0.749 -10.845 13.518 1.00 1.12 H new ATOM 0 HA3 GLY A 10 0.449 -11.163 15.215 1.00 1.12 H new ATOM 188 N GLU A 11 -2.346 -11.542 14.037 1.00 0.95 N ATOM 189 CA GLU A 11 -3.414 -12.511 13.863 1.00 1.20 C ATOM 190 C GLU A 11 -3.733 -12.833 12.398 1.00 1.00 C ATOM 191 O GLU A 11 -4.425 -13.821 12.144 1.00 1.38 O ATOM 192 CB GLU A 11 -4.679 -12.105 14.623 1.00 1.69 C ATOM 193 CG GLU A 11 -5.219 -10.734 14.272 1.00 2.37 C ATOM 194 CD GLU A 11 -6.538 -10.463 14.958 1.00 3.21 C ATOM 195 OE1 GLU A 11 -7.598 -10.786 14.379 1.00 3.60 O ATOM 196 OE2 GLU A 11 -6.521 -9.909 16.074 1.00 3.81 O ATOM 0 H GLU A 11 -2.658 -10.598 14.263 1.00 0.95 H new ATOM 0 HA GLU A 11 -3.031 -13.435 14.297 1.00 1.20 H new ATOM 0 HB2 GLU A 11 -5.455 -12.846 14.430 1.00 1.69 H new ATOM 0 HB3 GLU A 11 -4.469 -12.134 15.692 1.00 1.69 H new ATOM 0 HG2 GLU A 11 -4.495 -9.972 14.561 1.00 2.37 H new ATOM 0 HG3 GLU A 11 -5.348 -10.658 13.192 1.00 2.37 H new ATOM 203 N GLU A 12 -3.281 -12.008 11.429 1.00 0.98 N ATOM 204 CA GLU A 12 -3.246 -12.413 10.014 1.00 0.87 C ATOM 205 C GLU A 12 -4.594 -12.239 9.317 1.00 0.79 C ATOM 206 O GLU A 12 -5.460 -13.108 9.378 1.00 0.89 O ATOM 207 CB GLU A 12 -2.711 -13.833 9.823 1.00 1.13 C ATOM 208 CG GLU A 12 -1.202 -13.923 9.924 1.00 1.80 C ATOM 209 CD GLU A 12 -0.679 -15.269 9.482 1.00 2.11 C ATOM 210 OE1 GLU A 12 -0.932 -15.655 8.323 1.00 2.30 O ATOM 211 OE2 GLU A 12 -0.019 -15.948 10.295 1.00 2.43 O ATOM 0 H GLU A 12 -2.938 -11.063 11.603 1.00 0.98 H new ATOM 0 HA GLU A 12 -2.543 -11.732 9.534 1.00 0.87 H new ATOM 0 HB2 GLU A 12 -3.158 -14.486 10.572 1.00 1.13 H new ATOM 0 HB3 GLU A 12 -3.026 -14.204 8.848 1.00 1.13 H new ATOM 0 HG2 GLU A 12 -0.752 -13.142 9.312 1.00 1.80 H new ATOM 0 HG3 GLU A 12 -0.897 -13.737 10.954 1.00 1.80 H new ATOM 218 N LYS A 13 -4.759 -11.087 8.667 1.00 0.71 N ATOM 219 CA LYS A 13 -5.943 -10.824 7.855 1.00 0.75 C ATOM 220 C LYS A 13 -5.580 -10.034 6.606 1.00 0.73 C ATOM 221 O LYS A 13 -4.466 -9.530 6.480 1.00 1.21 O ATOM 222 CB LYS A 13 -7.018 -10.074 8.650 1.00 0.96 C ATOM 223 CG LYS A 13 -6.585 -8.712 9.179 1.00 0.86 C ATOM 224 CD LYS A 13 -7.787 -7.851 9.548 1.00 1.44 C ATOM 225 CE LYS A 13 -8.719 -8.561 10.520 1.00 2.02 C ATOM 226 NZ LYS A 13 -9.935 -7.759 10.822 1.00 2.73 N ATOM 0 H LYS A 13 -4.086 -10.321 8.688 1.00 0.71 H new ATOM 0 HA LYS A 13 -6.350 -11.791 7.558 1.00 0.75 H new ATOM 0 HB2 LYS A 13 -7.893 -9.940 8.014 1.00 0.96 H new ATOM 0 HB3 LYS A 13 -7.327 -10.694 9.492 1.00 0.96 H new ATOM 0 HG2 LYS A 13 -5.949 -8.845 10.054 1.00 0.86 H new ATOM 0 HG3 LYS A 13 -5.987 -8.200 8.425 1.00 0.86 H new ATOM 0 HD2 LYS A 13 -7.442 -6.918 9.993 1.00 1.44 H new ATOM 0 HD3 LYS A 13 -8.337 -7.589 8.644 1.00 1.44 H new ATOM 0 HE2 LYS A 13 -9.015 -9.522 10.100 1.00 2.02 H new ATOM 0 HE3 LYS A 13 -8.184 -8.769 11.447 1.00 2.02 H new ATOM 0 HZ1 LYS A 13 -10.539 -8.282 11.487 1.00 2.73 H new ATOM 0 HZ2 LYS A 13 -9.656 -6.852 11.247 1.00 2.73 H new ATOM 0 HZ3 LYS A 13 -10.461 -7.582 9.943 1.00 2.73 H new ATOM 240 N GLU A 14 -6.523 -9.942 5.689 1.00 0.55 N ATOM 241 CA GLU A 14 -6.358 -9.174 4.470 1.00 0.54 C ATOM 242 C GLU A 14 -7.452 -8.117 4.396 1.00 0.65 C ATOM 243 O GLU A 14 -8.496 -8.259 5.034 1.00 0.88 O ATOM 244 CB GLU A 14 -6.404 -10.087 3.235 1.00 0.60 C ATOM 245 CG GLU A 14 -7.687 -10.904 3.094 1.00 1.38 C ATOM 246 CD GLU A 14 -7.797 -12.039 4.096 1.00 1.90 C ATOM 247 OE1 GLU A 14 -7.263 -13.135 3.823 1.00 2.38 O ATOM 248 OE2 GLU A 14 -8.411 -11.838 5.168 1.00 2.39 O ATOM 0 H GLU A 14 -7.431 -10.401 5.769 1.00 0.55 H new ATOM 0 HA GLU A 14 -5.383 -8.688 4.483 1.00 0.54 H new ATOM 0 HB2 GLU A 14 -6.279 -9.474 2.342 1.00 0.60 H new ATOM 0 HB3 GLU A 14 -5.556 -10.771 3.273 1.00 0.60 H new ATOM 0 HG2 GLU A 14 -8.545 -10.242 3.212 1.00 1.38 H new ATOM 0 HG3 GLU A 14 -7.738 -11.314 2.085 1.00 1.38 H new ATOM 255 N VAL A 15 -7.225 -7.059 3.630 1.00 0.68 N ATOM 256 CA VAL A 15 -8.188 -5.970 3.568 1.00 0.82 C ATOM 257 C VAL A 15 -8.211 -5.315 2.183 1.00 0.72 C ATOM 258 O VAL A 15 -7.262 -5.441 1.403 1.00 1.19 O ATOM 259 CB VAL A 15 -7.884 -4.901 4.652 1.00 1.20 C ATOM 260 CG1 VAL A 15 -6.636 -4.101 4.304 1.00 1.53 C ATOM 261 CG2 VAL A 15 -9.073 -3.978 4.870 1.00 2.11 C ATOM 0 H VAL A 15 -6.395 -6.932 3.051 1.00 0.68 H new ATOM 0 HA VAL A 15 -9.172 -6.399 3.758 1.00 0.82 H new ATOM 0 HB VAL A 15 -7.696 -5.430 5.586 1.00 1.20 H new ATOM 0 HG11 VAL A 15 -6.450 -3.361 5.082 1.00 1.53 H new ATOM 0 HG12 VAL A 15 -5.781 -4.774 4.231 1.00 1.53 H new ATOM 0 HG13 VAL A 15 -6.782 -3.595 3.350 1.00 1.53 H new ATOM 0 HG21 VAL A 15 -8.827 -3.242 5.635 1.00 2.11 H new ATOM 0 HG22 VAL A 15 -9.312 -3.466 3.938 1.00 2.11 H new ATOM 0 HG23 VAL A 15 -9.934 -4.563 5.194 1.00 2.11 H new ATOM 271 N ASP A 16 -9.333 -4.670 1.875 1.00 0.76 N ATOM 272 CA ASP A 16 -9.465 -3.842 0.677 1.00 0.98 C ATOM 273 C ASP A 16 -8.602 -2.573 0.805 1.00 0.91 C ATOM 274 O ASP A 16 -7.676 -2.524 1.612 1.00 1.57 O ATOM 275 CB ASP A 16 -10.947 -3.478 0.486 1.00 1.33 C ATOM 276 CG ASP A 16 -11.266 -2.969 -0.905 1.00 1.87 C ATOM 277 OD1 ASP A 16 -11.517 -3.797 -1.804 1.00 2.08 O ATOM 278 OD2 ASP A 16 -11.282 -1.740 -1.102 1.00 2.64 O ATOM 0 H ASP A 16 -10.176 -4.706 2.448 1.00 0.76 H new ATOM 0 HA ASP A 16 -9.115 -4.396 -0.194 1.00 0.98 H new ATOM 0 HB2 ASP A 16 -11.559 -4.356 0.693 1.00 1.33 H new ATOM 0 HB3 ASP A 16 -11.224 -2.717 1.216 1.00 1.33 H new ATOM 283 N THR A 17 -8.919 -1.543 0.035 1.00 0.98 N ATOM 284 CA THR A 17 -8.082 -0.349 -0.040 1.00 0.92 C ATOM 285 C THR A 17 -8.942 0.891 -0.297 1.00 0.85 C ATOM 286 O THR A 17 -8.436 2.008 -0.399 1.00 1.17 O ATOM 287 CB THR A 17 -7.019 -0.490 -1.161 1.00 1.36 C ATOM 288 OG1 THR A 17 -6.405 -1.783 -1.092 1.00 1.66 O ATOM 289 CG2 THR A 17 -5.934 0.572 -1.050 1.00 1.86 C ATOM 0 H THR A 17 -9.753 -1.508 -0.550 1.00 0.98 H new ATOM 0 HA THR A 17 -7.570 -0.237 0.916 1.00 0.92 H new ATOM 0 HB THR A 17 -7.534 -0.362 -2.113 1.00 1.36 H new ATOM 0 HG1 THR A 17 -5.731 -1.863 -1.799 1.00 1.66 H new ATOM 0 HG21 THR A 17 -5.210 0.438 -1.853 1.00 1.86 H new ATOM 0 HG22 THR A 17 -6.384 1.562 -1.129 1.00 1.86 H new ATOM 0 HG23 THR A 17 -5.430 0.478 -0.088 1.00 1.86 H new ATOM 297 N SER A 18 -10.252 0.695 -0.406 1.00 0.73 N ATOM 298 CA SER A 18 -11.176 1.817 -0.373 1.00 0.86 C ATOM 299 C SER A 18 -11.209 2.402 1.037 1.00 0.82 C ATOM 300 O SER A 18 -11.476 3.590 1.230 1.00 1.13 O ATOM 301 CB SER A 18 -12.575 1.352 -0.798 1.00 1.16 C ATOM 302 OG SER A 18 -13.483 2.436 -0.885 1.00 1.81 O ATOM 0 H SER A 18 -10.691 -0.219 -0.517 1.00 0.73 H new ATOM 0 HA SER A 18 -10.844 2.588 -1.068 1.00 0.86 H new ATOM 0 HB2 SER A 18 -12.514 0.850 -1.764 1.00 1.16 H new ATOM 0 HB3 SER A 18 -12.949 0.621 -0.081 1.00 1.16 H new ATOM 0 HG SER A 18 -14.363 2.104 -1.159 1.00 1.81 H new ATOM 308 N LYS A 19 -10.910 1.561 2.019 1.00 0.68 N ATOM 309 CA LYS A 19 -10.806 1.994 3.399 1.00 0.75 C ATOM 310 C LYS A 19 -9.369 2.312 3.748 1.00 0.68 C ATOM 311 O LYS A 19 -8.756 1.631 4.560 1.00 1.06 O ATOM 312 CB LYS A 19 -11.305 0.915 4.354 1.00 0.99 C ATOM 313 CG LYS A 19 -12.754 1.055 4.761 1.00 1.25 C ATOM 314 CD LYS A 19 -13.059 0.115 5.910 1.00 1.92 C ATOM 315 CE LYS A 19 -14.445 0.332 6.480 1.00 2.22 C ATOM 316 NZ LYS A 19 -14.669 -0.513 7.678 1.00 3.07 N ATOM 0 H LYS A 19 -10.734 0.566 1.879 1.00 0.68 H new ATOM 0 HA LYS A 19 -11.424 2.886 3.505 1.00 0.75 H new ATOM 0 HB2 LYS A 19 -11.166 -0.059 3.885 1.00 0.99 H new ATOM 0 HB3 LYS A 19 -10.686 0.928 5.251 1.00 0.99 H new ATOM 0 HG2 LYS A 19 -12.960 2.084 5.056 1.00 1.25 H new ATOM 0 HG3 LYS A 19 -13.402 0.831 3.914 1.00 1.25 H new ATOM 0 HD2 LYS A 19 -12.967 -0.916 5.567 1.00 1.92 H new ATOM 0 HD3 LYS A 19 -12.319 0.256 6.698 1.00 1.92 H new ATOM 0 HE2 LYS A 19 -14.573 1.382 6.743 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -15.193 0.100 5.722 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -15.620 -0.332 8.058 1.00 3.07 H new ATOM 0 HZ2 LYS A 19 -14.586 -1.516 7.416 1.00 3.07 H new ATOM 0 HZ3 LYS A 19 -13.958 -0.285 8.402 1.00 3.07 H new ATOM 330 N ILE A 20 -8.821 3.316 3.115 1.00 0.74 N ATOM 331 CA ILE A 20 -7.509 3.818 3.485 1.00 0.71 C ATOM 332 C ILE A 20 -7.672 5.158 4.191 1.00 0.78 C ATOM 333 O ILE A 20 -8.520 5.965 3.813 1.00 1.22 O ATOM 334 CB ILE A 20 -6.587 3.967 2.251 1.00 1.02 C ATOM 335 CG1 ILE A 20 -6.159 2.589 1.740 1.00 1.33 C ATOM 336 CG2 ILE A 20 -5.362 4.821 2.565 1.00 1.79 C ATOM 337 CD1 ILE A 20 -5.379 1.776 2.755 1.00 1.72 C ATOM 0 H ILE A 20 -9.259 3.809 2.337 1.00 0.74 H new ATOM 0 HA ILE A 20 -7.037 3.100 4.156 1.00 0.71 H new ATOM 0 HB ILE A 20 -7.154 4.476 1.471 1.00 1.02 H new ATOM 0 HG12 ILE A 20 -7.047 2.029 1.445 1.00 1.33 H new ATOM 0 HG13 ILE A 20 -5.550 2.717 0.845 1.00 1.33 H new ATOM 0 HG21 ILE A 20 -4.738 4.903 1.675 1.00 1.79 H new ATOM 0 HG22 ILE A 20 -5.682 5.815 2.877 1.00 1.79 H new ATOM 0 HG23 ILE A 20 -4.790 4.355 3.367 1.00 1.79 H new ATOM 0 HD11 ILE A 20 -5.111 0.813 2.321 1.00 1.72 H new ATOM 0 HD12 ILE A 20 -4.473 2.314 3.033 1.00 1.72 H new ATOM 0 HD13 ILE A 20 -5.992 1.616 3.642 1.00 1.72 H new ATOM 349 N LYS A 21 -6.870 5.391 5.218 1.00 0.62 N ATOM 350 CA LYS A 21 -6.958 6.620 5.984 1.00 0.88 C ATOM 351 C LYS A 21 -5.668 7.411 5.808 1.00 0.78 C ATOM 352 O LYS A 21 -5.681 8.573 5.400 1.00 1.17 O ATOM 353 CB LYS A 21 -7.189 6.300 7.462 1.00 1.13 C ATOM 354 CG LYS A 21 -8.068 7.307 8.186 1.00 1.52 C ATOM 355 CD LYS A 21 -9.491 7.300 7.641 1.00 1.92 C ATOM 356 CE LYS A 21 -10.120 5.919 7.744 1.00 2.23 C ATOM 357 NZ LYS A 21 -11.503 5.889 7.207 1.00 2.46 N ATOM 0 H LYS A 21 -6.151 4.743 5.539 1.00 0.62 H new ATOM 0 HA LYS A 21 -7.797 7.216 5.626 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -7.644 5.313 7.542 1.00 1.13 H new ATOM 0 HB3 LYS A 21 -6.224 6.248 7.966 1.00 1.13 H new ATOM 0 HG2 LYS A 21 -8.084 7.078 9.251 1.00 1.52 H new ATOM 0 HG3 LYS A 21 -7.642 8.305 8.081 1.00 1.52 H new ATOM 0 HD2 LYS A 21 -10.097 8.019 8.193 1.00 1.92 H new ATOM 0 HD3 LYS A 21 -9.485 7.621 6.599 1.00 1.92 H new ATOM 0 HE2 LYS A 21 -9.506 5.201 7.201 1.00 2.23 H new ATOM 0 HE3 LYS A 21 -10.131 5.604 8.787 1.00 2.23 H new ATOM 0 HZ1 LYS A 21 -11.695 4.954 6.795 1.00 2.46 H new ATOM 0 HZ2 LYS A 21 -12.178 6.074 7.976 1.00 2.46 H new ATOM 0 HZ3 LYS A 21 -11.606 6.618 6.473 1.00 2.46 H new ATOM 371 N LYS A 22 -4.554 6.759 6.126 1.00 0.67 N ATOM 372 CA LYS A 22 -3.223 7.324 5.916 1.00 0.70 C ATOM 373 C LYS A 22 -2.256 6.216 5.531 1.00 0.51 C ATOM 374 O LYS A 22 -2.329 5.123 6.086 1.00 0.50 O ATOM 375 CB LYS A 22 -2.696 8.000 7.186 1.00 1.07 C ATOM 376 CG LYS A 22 -3.531 9.168 7.690 1.00 1.44 C ATOM 377 CD LYS A 22 -2.915 9.788 8.933 1.00 2.03 C ATOM 378 CE LYS A 22 -2.789 8.774 10.059 1.00 2.77 C ATOM 379 NZ LYS A 22 -2.145 9.356 11.265 1.00 3.08 N ATOM 0 H LYS A 22 -4.547 5.825 6.536 1.00 0.67 H new ATOM 0 HA LYS A 22 -3.299 8.068 5.123 1.00 0.70 H new ATOM 0 HB2 LYS A 22 -2.631 7.252 7.977 1.00 1.07 H new ATOM 0 HB3 LYS A 22 -1.682 8.353 6.997 1.00 1.07 H new ATOM 0 HG2 LYS A 22 -3.615 9.922 6.908 1.00 1.44 H new ATOM 0 HG3 LYS A 22 -4.542 8.826 7.914 1.00 1.44 H new ATOM 0 HD2 LYS A 22 -1.931 10.189 8.691 1.00 2.03 H new ATOM 0 HD3 LYS A 22 -3.528 10.626 9.264 1.00 2.03 H new ATOM 0 HE2 LYS A 22 -3.778 8.400 10.322 1.00 2.77 H new ATOM 0 HE3 LYS A 22 -2.206 7.920 9.714 1.00 2.77 H new ATOM 0 HZ1 LYS A 22 -2.079 8.631 12.008 1.00 3.08 H new ATOM 0 HZ2 LYS A 22 -1.191 9.690 11.022 1.00 3.08 H new ATOM 0 HZ3 LYS A 22 -2.714 10.155 11.611 1.00 3.08 H new ATOM 393 N VAL A 23 -1.374 6.473 4.582 1.00 0.49 N ATOM 394 CA VAL A 23 -0.303 5.533 4.285 1.00 0.49 C ATOM 395 C VAL A 23 1.046 6.225 4.433 1.00 0.51 C ATOM 396 O VAL A 23 1.309 7.237 3.782 1.00 0.63 O ATOM 397 CB VAL A 23 -0.422 4.929 2.867 1.00 0.64 C ATOM 398 CG1 VAL A 23 0.590 3.808 2.681 1.00 1.56 C ATOM 399 CG2 VAL A 23 -1.831 4.423 2.601 1.00 1.29 C ATOM 0 H VAL A 23 -1.375 7.316 4.007 1.00 0.49 H new ATOM 0 HA VAL A 23 -0.387 4.713 4.998 1.00 0.49 H new ATOM 0 HB VAL A 23 -0.207 5.718 2.146 1.00 0.64 H new ATOM 0 HG11 VAL A 23 0.493 3.393 1.678 1.00 1.56 H new ATOM 0 HG12 VAL A 23 1.598 4.201 2.815 1.00 1.56 H new ATOM 0 HG13 VAL A 23 0.405 3.025 3.417 1.00 1.56 H new ATOM 0 HG21 VAL A 23 -1.883 4.004 1.596 1.00 1.29 H new ATOM 0 HG22 VAL A 23 -2.084 3.652 3.329 1.00 1.29 H new ATOM 0 HG23 VAL A 23 -2.537 5.249 2.687 1.00 1.29 H new ATOM 409 N ALA A 24 1.888 5.687 5.303 1.00 0.45 N ATOM 410 CA ALA A 24 3.179 6.288 5.594 1.00 0.51 C ATOM 411 C ALA A 24 4.224 5.211 5.843 1.00 0.46 C ATOM 412 O ALA A 24 3.891 4.041 6.028 1.00 0.44 O ATOM 413 CB ALA A 24 3.069 7.209 6.800 1.00 0.65 C ATOM 0 H ALA A 24 1.697 4.830 5.822 1.00 0.45 H new ATOM 0 HA ALA A 24 3.491 6.877 4.731 1.00 0.51 H new ATOM 0 HB1 ALA A 24 4.042 7.653 7.008 1.00 0.65 H new ATOM 0 HB2 ALA A 24 2.347 7.998 6.590 1.00 0.65 H new ATOM 0 HB3 ALA A 24 2.739 6.636 7.666 1.00 0.65 H new ATOM 419 N ARG A 25 5.487 5.601 5.842 1.00 0.60 N ATOM 420 CA ARG A 25 6.568 4.662 6.101 1.00 0.65 C ATOM 421 C ARG A 25 7.260 5.018 7.412 1.00 0.67 C ATOM 422 O ARG A 25 7.342 6.188 7.782 1.00 0.76 O ATOM 423 CB ARG A 25 7.579 4.669 4.946 1.00 0.86 C ATOM 424 CG ARG A 25 8.632 3.574 5.060 1.00 1.27 C ATOM 425 CD ARG A 25 9.573 3.554 3.867 1.00 1.80 C ATOM 426 NE ARG A 25 10.416 4.746 3.799 1.00 2.24 N ATOM 427 CZ ARG A 25 11.661 4.744 3.324 1.00 2.94 C ATOM 428 NH1 ARG A 25 12.223 3.611 2.917 1.00 3.40 N ATOM 429 NH2 ARG A 25 12.347 5.876 3.270 1.00 3.61 N ATOM 0 H ARG A 25 5.790 6.559 5.665 1.00 0.60 H new ATOM 0 HA ARG A 25 6.148 3.659 6.181 1.00 0.65 H new ATOM 0 HB2 ARG A 25 7.044 4.552 4.003 1.00 0.86 H new ATOM 0 HB3 ARG A 25 8.075 5.639 4.913 1.00 0.86 H new ATOM 0 HG2 ARG A 25 9.209 3.721 5.973 1.00 1.27 H new ATOM 0 HG3 ARG A 25 8.139 2.606 5.147 1.00 1.27 H new ATOM 0 HD2 ARG A 25 10.206 2.668 3.922 1.00 1.80 H new ATOM 0 HD3 ARG A 25 8.990 3.473 2.950 1.00 1.80 H new ATOM 0 HE ARG A 25 10.030 5.629 4.134 1.00 2.24 H new ATOM 0 HH11 ARG A 25 11.701 2.736 2.967 1.00 3.40 H new ATOM 0 HH12 ARG A 25 13.176 3.616 2.554 1.00 3.40 H new ATOM 0 HH21 ARG A 25 11.922 6.746 3.591 1.00 3.61 H new ATOM 0 HH22 ARG A 25 13.300 5.878 2.907 1.00 3.61 H new ATOM 443 N VAL A 26 7.758 4.001 8.097 1.00 0.70 N ATOM 444 CA VAL A 26 8.473 4.204 9.351 1.00 0.81 C ATOM 445 C VAL A 26 9.976 4.044 9.128 1.00 0.92 C ATOM 446 O VAL A 26 10.701 5.031 9.044 1.00 1.51 O ATOM 447 CB VAL A 26 7.969 3.269 10.482 1.00 0.95 C ATOM 448 CG1 VAL A 26 6.697 3.827 11.101 1.00 1.32 C ATOM 449 CG2 VAL A 26 7.717 1.857 9.972 1.00 1.07 C ATOM 0 H VAL A 26 7.681 3.026 7.807 1.00 0.70 H new ATOM 0 HA VAL A 26 8.271 5.222 9.684 1.00 0.81 H new ATOM 0 HB VAL A 26 8.751 3.221 11.240 1.00 0.95 H new ATOM 0 HG11 VAL A 26 6.355 3.161 11.893 1.00 1.32 H new ATOM 0 HG12 VAL A 26 6.898 4.814 11.519 1.00 1.32 H new ATOM 0 HG13 VAL A 26 5.925 3.907 10.336 1.00 1.32 H new ATOM 0 HG21 VAL A 26 7.365 1.231 10.792 1.00 1.07 H new ATOM 0 HG22 VAL A 26 6.962 1.883 9.186 1.00 1.07 H new ATOM 0 HG23 VAL A 26 8.643 1.444 9.572 1.00 1.07 H new ATOM 459 N GLY A 27 10.446 2.813 9.038 1.00 0.93 N ATOM 460 CA GLY A 27 11.810 2.574 8.618 1.00 0.96 C ATOM 461 C GLY A 27 11.852 1.718 7.376 1.00 0.89 C ATOM 462 O GLY A 27 11.793 2.226 6.257 1.00 0.98 O ATOM 0 H GLY A 27 9.908 1.972 9.248 1.00 0.93 H new ATOM 0 HA2 GLY A 27 12.307 3.525 8.425 1.00 0.96 H new ATOM 0 HA3 GLY A 27 12.361 2.084 9.421 1.00 0.96 H new ATOM 466 N LYS A 28 11.937 0.410 7.568 1.00 0.91 N ATOM 467 CA LYS A 28 11.888 -0.529 6.457 1.00 0.97 C ATOM 468 C LYS A 28 10.507 -1.167 6.378 1.00 0.77 C ATOM 469 O LYS A 28 10.290 -2.151 5.668 1.00 0.86 O ATOM 470 CB LYS A 28 12.959 -1.613 6.603 1.00 1.22 C ATOM 471 CG LYS A 28 12.866 -2.406 7.897 1.00 1.60 C ATOM 472 CD LYS A 28 13.818 -3.588 7.887 1.00 1.99 C ATOM 473 CE LYS A 28 15.247 -3.144 7.629 1.00 2.47 C ATOM 474 NZ LYS A 28 16.164 -4.297 7.451 1.00 3.21 N ATOM 0 H LYS A 28 12.040 -0.026 8.484 1.00 0.91 H new ATOM 0 HA LYS A 28 12.086 0.021 5.537 1.00 0.97 H new ATOM 0 HB2 LYS A 28 12.882 -2.301 5.761 1.00 1.22 H new ATOM 0 HB3 LYS A 28 13.943 -1.147 6.545 1.00 1.22 H new ATOM 0 HG2 LYS A 28 13.097 -1.757 8.742 1.00 1.60 H new ATOM 0 HG3 LYS A 28 11.845 -2.760 8.037 1.00 1.60 H new ATOM 0 HD2 LYS A 28 13.764 -4.109 8.843 1.00 1.99 H new ATOM 0 HD3 LYS A 28 13.511 -4.298 7.119 1.00 1.99 H new ATOM 0 HE2 LYS A 28 15.276 -2.517 6.738 1.00 2.47 H new ATOM 0 HE3 LYS A 28 15.592 -2.531 8.462 1.00 2.47 H new ATOM 0 HZ1 LYS A 28 17.129 -3.950 7.277 1.00 3.21 H new ATOM 0 HZ2 LYS A 28 16.156 -4.883 8.310 1.00 3.21 H new ATOM 0 HZ3 LYS A 28 15.850 -4.868 6.640 1.00 3.21 H new ATOM 488 N MET A 29 9.580 -0.614 7.140 1.00 0.60 N ATOM 489 CA MET A 29 8.214 -1.097 7.151 1.00 0.52 C ATOM 490 C MET A 29 7.260 0.017 6.750 1.00 0.43 C ATOM 491 O MET A 29 7.576 1.202 6.877 1.00 0.47 O ATOM 492 CB MET A 29 7.842 -1.631 8.539 1.00 0.60 C ATOM 493 CG MET A 29 8.715 -2.787 9.004 1.00 1.39 C ATOM 494 SD MET A 29 8.250 -3.402 10.636 1.00 1.86 S ATOM 495 CE MET A 29 6.599 -4.018 10.308 1.00 2.42 C ATOM 0 H MET A 29 9.752 0.175 7.763 1.00 0.60 H new ATOM 0 HA MET A 29 8.132 -1.911 6.431 1.00 0.52 H new ATOM 0 HB2 MET A 29 7.914 -0.819 9.262 1.00 0.60 H new ATOM 0 HB3 MET A 29 6.801 -1.955 8.527 1.00 0.60 H new ATOM 0 HG2 MET A 29 8.648 -3.600 8.282 1.00 1.39 H new ATOM 0 HG3 MET A 29 9.756 -2.465 9.025 1.00 1.39 H new ATOM 0 HE1 MET A 29 5.878 -3.465 10.911 1.00 2.42 H new ATOM 0 HE2 MET A 29 6.365 -3.887 9.252 1.00 2.42 H new ATOM 0 HE3 MET A 29 6.549 -5.077 10.562 1.00 2.42 H new ATOM 505 N VAL A 30 6.101 -0.376 6.268 1.00 0.52 N ATOM 506 CA VAL A 30 5.074 0.560 5.860 1.00 0.45 C ATOM 507 C VAL A 30 3.930 0.517 6.858 1.00 0.44 C ATOM 508 O VAL A 30 3.378 -0.549 7.134 1.00 0.61 O ATOM 509 CB VAL A 30 4.540 0.233 4.447 1.00 0.56 C ATOM 510 CG1 VAL A 30 3.471 1.230 4.029 1.00 0.54 C ATOM 511 CG2 VAL A 30 5.673 0.208 3.432 1.00 0.61 C ATOM 0 H VAL A 30 5.843 -1.355 6.147 1.00 0.52 H new ATOM 0 HA VAL A 30 5.513 1.558 5.832 1.00 0.45 H new ATOM 0 HB VAL A 30 4.089 -0.759 4.479 1.00 0.56 H new ATOM 0 HG11 VAL A 30 3.110 0.980 3.031 1.00 0.54 H new ATOM 0 HG12 VAL A 30 2.642 1.192 4.735 1.00 0.54 H new ATOM 0 HG13 VAL A 30 3.894 2.235 4.020 1.00 0.54 H new ATOM 0 HG21 VAL A 30 5.272 -0.024 2.445 1.00 0.61 H new ATOM 0 HG22 VAL A 30 6.160 1.183 3.406 1.00 0.61 H new ATOM 0 HG23 VAL A 30 6.400 -0.553 3.717 1.00 0.61 H new ATOM 521 N SER A 31 3.593 1.666 7.414 1.00 0.35 N ATOM 522 CA SER A 31 2.530 1.755 8.392 1.00 0.39 C ATOM 523 C SER A 31 1.344 2.502 7.805 1.00 0.37 C ATOM 524 O SER A 31 1.361 3.730 7.688 1.00 0.48 O ATOM 525 CB SER A 31 3.034 2.459 9.652 1.00 0.53 C ATOM 526 OG SER A 31 4.178 1.804 10.174 1.00 1.25 O ATOM 0 H SER A 31 4.045 2.555 7.202 1.00 0.35 H new ATOM 0 HA SER A 31 2.209 0.749 8.661 1.00 0.39 H new ATOM 0 HB2 SER A 31 3.277 3.496 9.421 1.00 0.53 H new ATOM 0 HB3 SER A 31 2.245 2.476 10.404 1.00 0.53 H new ATOM 0 HG SER A 31 4.484 2.272 10.979 1.00 1.25 H new ATOM 532 N PHE A 32 0.324 1.760 7.421 1.00 0.34 N ATOM 533 CA PHE A 32 -0.866 2.358 6.855 1.00 0.34 C ATOM 534 C PHE A 32 -2.014 2.253 7.845 1.00 0.34 C ATOM 535 O PHE A 32 -2.045 1.364 8.696 1.00 0.35 O ATOM 536 CB PHE A 32 -1.229 1.708 5.510 1.00 0.35 C ATOM 537 CG PHE A 32 -1.651 0.270 5.606 1.00 0.37 C ATOM 538 CD1 PHE A 32 -0.701 -0.738 5.669 1.00 0.49 C ATOM 539 CD2 PHE A 32 -2.994 -0.075 5.638 1.00 0.42 C ATOM 540 CE1 PHE A 32 -1.081 -2.061 5.759 1.00 0.61 C ATOM 541 CE2 PHE A 32 -3.379 -1.398 5.729 1.00 0.53 C ATOM 542 CZ PHE A 32 -2.443 -2.386 5.772 1.00 0.61 C ATOM 0 H PHE A 32 0.297 0.743 7.491 1.00 0.34 H new ATOM 0 HA PHE A 32 -0.669 3.412 6.660 1.00 0.34 H new ATOM 0 HB2 PHE A 32 -2.035 2.280 5.051 1.00 0.35 H new ATOM 0 HB3 PHE A 32 -0.369 1.777 4.844 1.00 0.35 H new ATOM 0 HD1 PHE A 32 0.349 -0.484 5.647 1.00 0.49 H new ATOM 0 HD2 PHE A 32 -3.746 0.699 5.591 1.00 0.42 H new ATOM 0 HE1 PHE A 32 -0.335 -2.839 5.819 1.00 0.61 H new ATOM 0 HE2 PHE A 32 -4.428 -1.651 5.766 1.00 0.53 H new ATOM 0 HZ PHE A 32 -2.751 -3.420 5.816 1.00 0.61 H new ATOM 552 N THR A 33 -2.938 3.179 7.747 1.00 0.38 N ATOM 553 CA THR A 33 -4.067 3.230 8.645 1.00 0.46 C ATOM 554 C THR A 33 -5.365 3.152 7.854 1.00 0.50 C ATOM 555 O THR A 33 -5.439 3.639 6.724 1.00 0.62 O ATOM 556 CB THR A 33 -4.028 4.532 9.469 1.00 0.57 C ATOM 557 OG1 THR A 33 -2.705 4.720 9.991 1.00 1.17 O ATOM 558 CG2 THR A 33 -5.025 4.496 10.621 1.00 1.06 C ATOM 0 H THR A 33 -2.929 3.917 7.043 1.00 0.38 H new ATOM 0 HA THR A 33 -4.016 2.380 9.326 1.00 0.46 H new ATOM 0 HB THR A 33 -4.300 5.359 8.813 1.00 0.57 H new ATOM 0 HG1 THR A 33 -2.674 5.548 10.515 1.00 1.17 H new ATOM 0 HG21 THR A 33 -4.969 5.430 11.180 1.00 1.06 H new ATOM 0 HG22 THR A 33 -6.033 4.369 10.226 1.00 1.06 H new ATOM 0 HG23 THR A 33 -4.787 3.663 11.282 1.00 1.06 H new ATOM 566 N TYR A 34 -6.370 2.536 8.449 1.00 0.54 N ATOM 567 CA TYR A 34 -7.682 2.406 7.839 1.00 0.63 C ATOM 568 C TYR A 34 -8.751 2.674 8.896 1.00 0.70 C ATOM 569 O TYR A 34 -8.575 3.564 9.729 1.00 0.95 O ATOM 570 CB TYR A 34 -7.851 1.017 7.194 1.00 0.69 C ATOM 571 CG TYR A 34 -7.529 -0.167 8.084 1.00 0.64 C ATOM 572 CD1 TYR A 34 -6.223 -0.610 8.243 1.00 0.66 C ATOM 573 CD2 TYR A 34 -8.538 -0.852 8.744 1.00 0.76 C ATOM 574 CE1 TYR A 34 -5.933 -1.702 9.041 1.00 0.72 C ATOM 575 CE2 TYR A 34 -8.257 -1.940 9.544 1.00 0.81 C ATOM 576 CZ TYR A 34 -6.958 -2.362 9.690 1.00 0.75 C ATOM 577 OH TYR A 34 -6.683 -3.445 10.493 1.00 0.87 O ATOM 0 H TYR A 34 -6.300 2.110 9.373 1.00 0.54 H new ATOM 0 HA TYR A 34 -7.790 3.139 7.040 1.00 0.63 H new ATOM 0 HB2 TYR A 34 -8.881 0.920 6.850 1.00 0.69 H new ATOM 0 HB3 TYR A 34 -7.214 0.967 6.311 1.00 0.69 H new ATOM 0 HD1 TYR A 34 -5.421 -0.094 7.736 1.00 0.66 H new ATOM 0 HD2 TYR A 34 -9.562 -0.528 8.630 1.00 0.76 H new ATOM 0 HE1 TYR A 34 -4.912 -2.036 9.156 1.00 0.72 H new ATOM 0 HE2 TYR A 34 -9.056 -2.458 10.054 1.00 0.81 H new ATOM 0 HH TYR A 34 -5.929 -3.233 11.082 1.00 0.87 H new ATOM 587 N ASP A 35 -9.842 1.918 8.879 1.00 1.05 N ATOM 588 CA ASP A 35 -10.892 2.077 9.881 1.00 1.19 C ATOM 589 C ASP A 35 -11.662 0.768 10.032 1.00 1.20 C ATOM 590 O ASP A 35 -12.573 0.456 9.264 1.00 1.46 O ATOM 591 CB ASP A 35 -11.831 3.263 9.568 1.00 1.51 C ATOM 592 CG ASP A 35 -12.668 3.099 8.310 1.00 1.63 C ATOM 593 OD1 ASP A 35 -12.139 3.329 7.204 1.00 2.12 O ATOM 594 OD2 ASP A 35 -13.872 2.791 8.433 1.00 1.99 O ATOM 0 H ASP A 35 -10.024 1.192 8.186 1.00 1.05 H new ATOM 0 HA ASP A 35 -10.418 2.317 10.833 1.00 1.19 H new ATOM 0 HB2 ASP A 35 -12.500 3.412 10.416 1.00 1.51 H new ATOM 0 HB3 ASP A 35 -11.231 4.168 9.473 1.00 1.51 H new ATOM 599 N ASP A 36 -11.261 -0.026 11.007 1.00 1.24 N ATOM 600 CA ASP A 36 -11.889 -1.323 11.214 1.00 1.47 C ATOM 601 C ASP A 36 -13.014 -1.215 12.229 1.00 1.69 C ATOM 602 O ASP A 36 -14.011 -1.932 12.131 1.00 2.10 O ATOM 603 CB ASP A 36 -10.857 -2.358 11.673 1.00 1.93 C ATOM 604 CG ASP A 36 -11.391 -3.776 11.609 1.00 2.68 C ATOM 605 OD1 ASP A 36 -11.467 -4.342 10.494 1.00 3.47 O ATOM 606 OD2 ASP A 36 -11.750 -4.325 12.668 1.00 2.88 O ATOM 0 H ASP A 36 -10.512 0.198 11.663 1.00 1.24 H new ATOM 0 HA ASP A 36 -12.309 -1.653 10.264 1.00 1.47 H new ATOM 0 HB2 ASP A 36 -9.966 -2.280 11.050 1.00 1.93 H new ATOM 0 HB3 ASP A 36 -10.551 -2.134 12.695 1.00 1.93 H new ATOM 611 N ASN A 37 -12.829 -0.318 13.205 1.00 2.04 N ATOM 612 CA ASN A 37 -13.849 0.001 14.213 1.00 2.52 C ATOM 613 C ASN A 37 -13.787 -1.040 15.324 1.00 2.87 C ATOM 614 O ASN A 37 -13.588 -2.228 15.063 1.00 3.52 O ATOM 615 CB ASN A 37 -15.267 0.087 13.617 1.00 3.11 C ATOM 616 CG ASN A 37 -15.367 1.026 12.422 1.00 3.61 C ATOM 617 OD1 ASN A 37 -16.186 0.815 11.526 1.00 4.37 O ATOM 618 ND2 ASN A 37 -14.544 2.066 12.394 1.00 3.58 N ATOM 0 H ASN A 37 -11.964 0.210 13.319 1.00 2.04 H new ATOM 0 HA ASN A 37 -13.632 0.990 14.616 1.00 2.52 H new ATOM 0 HB2 ASN A 37 -15.586 -0.910 13.313 1.00 3.11 H new ATOM 0 HB3 ASN A 37 -15.958 0.421 14.391 1.00 3.11 H new ATOM 0 HD21 ASN A 37 -14.577 2.722 11.613 1.00 3.58 H new ATOM 0 HD22 ASN A 37 -13.878 2.210 13.153 1.00 3.58 H new ATOM 625 N GLY A 38 -13.934 -0.603 16.566 1.00 3.05 N ATOM 626 CA GLY A 38 -13.602 -1.462 17.690 1.00 3.84 C ATOM 627 C GLY A 38 -12.124 -1.377 18.004 1.00 3.87 C ATOM 628 O GLY A 38 -11.677 -1.719 19.100 1.00 4.27 O ATOM 0 H GLY A 38 -14.275 0.325 16.818 1.00 3.05 H new ATOM 0 HA2 GLY A 38 -14.183 -1.168 18.564 1.00 3.84 H new ATOM 0 HA3 GLY A 38 -13.872 -2.493 17.460 1.00 3.84 H new ATOM 632 N LYS A 39 -11.379 -0.905 17.017 1.00 3.58 N ATOM 633 CA LYS A 39 -9.951 -0.685 17.117 1.00 3.65 C ATOM 634 C LYS A 39 -9.548 0.229 15.967 1.00 3.06 C ATOM 635 O LYS A 39 -10.209 0.212 14.923 1.00 3.00 O ATOM 636 CB LYS A 39 -9.166 -2.011 17.079 1.00 3.97 C ATOM 637 CG LYS A 39 -9.043 -2.656 15.700 1.00 4.01 C ATOM 638 CD LYS A 39 -10.381 -3.109 15.139 1.00 4.09 C ATOM 639 CE LYS A 39 -10.978 -4.268 15.924 1.00 4.30 C ATOM 640 NZ LYS A 39 -12.265 -4.720 15.331 1.00 4.81 N ATOM 0 H LYS A 39 -11.763 -0.660 16.104 1.00 3.58 H new ATOM 0 HA LYS A 39 -9.712 -0.220 18.074 1.00 3.65 H new ATOM 0 HB2 LYS A 39 -8.164 -1.833 17.469 1.00 3.97 H new ATOM 0 HB3 LYS A 39 -9.649 -2.720 17.752 1.00 3.97 H new ATOM 0 HG2 LYS A 39 -8.588 -1.945 15.011 1.00 4.01 H new ATOM 0 HG3 LYS A 39 -8.372 -3.513 15.763 1.00 4.01 H new ATOM 0 HD2 LYS A 39 -11.078 -2.271 15.148 1.00 4.09 H new ATOM 0 HD3 LYS A 39 -10.253 -3.406 14.098 1.00 4.09 H new ATOM 0 HE2 LYS A 39 -10.273 -5.099 15.942 1.00 4.30 H new ATOM 0 HE3 LYS A 39 -11.139 -3.964 16.958 1.00 4.30 H new ATOM 0 HZ1 LYS A 39 -12.577 -5.592 15.803 1.00 4.81 H new ATOM 0 HZ2 LYS A 39 -12.985 -3.980 15.459 1.00 4.81 H new ATOM 0 HZ3 LYS A 39 -12.134 -4.904 14.316 1.00 4.81 H new ATOM 654 N THR A 40 -8.512 1.033 16.147 1.00 2.83 N ATOM 655 CA THR A 40 -8.195 2.076 15.176 1.00 2.37 C ATOM 656 C THR A 40 -7.978 1.506 13.771 1.00 1.60 C ATOM 657 O THR A 40 -8.555 1.999 12.800 1.00 2.02 O ATOM 658 CB THR A 40 -6.970 2.921 15.607 1.00 2.76 C ATOM 659 OG1 THR A 40 -6.692 3.925 14.620 1.00 2.97 O ATOM 660 CG2 THR A 40 -5.732 2.058 15.829 1.00 3.08 C ATOM 0 H THR A 40 -7.880 0.987 16.947 1.00 2.83 H new ATOM 0 HA THR A 40 -9.064 2.733 15.144 1.00 2.37 H new ATOM 0 HB THR A 40 -7.218 3.397 16.556 1.00 2.76 H new ATOM 0 HG1 THR A 40 -5.917 4.455 14.902 1.00 2.97 H new ATOM 0 HG21 THR A 40 -4.897 2.690 16.130 1.00 3.08 H new ATOM 0 HG22 THR A 40 -5.934 1.327 16.612 1.00 3.08 H new ATOM 0 HG23 THR A 40 -5.480 1.539 14.904 1.00 3.08 H new ATOM 668 N GLY A 41 -7.169 0.461 13.671 1.00 1.15 N ATOM 669 CA GLY A 41 -6.886 -0.127 12.384 1.00 0.83 C ATOM 670 C GLY A 41 -5.579 0.380 11.821 1.00 0.61 C ATOM 671 O GLY A 41 -5.560 1.267 10.966 1.00 0.62 O ATOM 0 H GLY A 41 -6.705 0.012 14.460 1.00 1.15 H new ATOM 0 HA2 GLY A 41 -6.846 -1.212 12.479 1.00 0.83 H new ATOM 0 HA3 GLY A 41 -7.696 0.103 11.691 1.00 0.83 H new ATOM 675 N ARG A 42 -4.487 -0.184 12.302 1.00 0.52 N ATOM 676 CA ARG A 42 -3.163 0.236 11.908 1.00 0.51 C ATOM 677 C ARG A 42 -2.374 -0.974 11.417 1.00 0.47 C ATOM 678 O ARG A 42 -2.101 -1.894 12.185 1.00 0.61 O ATOM 679 CB ARG A 42 -2.480 0.892 13.108 1.00 0.76 C ATOM 680 CG ARG A 42 -1.162 1.563 12.795 1.00 1.24 C ATOM 681 CD ARG A 42 0.004 0.588 12.839 1.00 1.30 C ATOM 682 NE ARG A 42 1.289 1.279 12.880 1.00 1.86 N ATOM 683 CZ ARG A 42 2.389 0.775 13.432 1.00 2.34 C ATOM 684 NH1 ARG A 42 2.378 -0.449 13.947 1.00 2.55 N ATOM 685 NH2 ARG A 42 3.502 1.496 13.458 1.00 3.13 N ATOM 0 H ARG A 42 -4.497 -0.948 12.978 1.00 0.52 H new ATOM 0 HA ARG A 42 -3.215 0.960 11.095 1.00 0.51 H new ATOM 0 HB2 ARG A 42 -3.157 1.632 13.534 1.00 0.76 H new ATOM 0 HB3 ARG A 42 -2.314 0.134 13.873 1.00 0.76 H new ATOM 0 HG2 ARG A 42 -1.214 2.020 11.807 1.00 1.24 H new ATOM 0 HG3 ARG A 42 -0.987 2.368 13.509 1.00 1.24 H new ATOM 0 HD2 ARG A 42 -0.092 -0.053 13.715 1.00 1.30 H new ATOM 0 HD3 ARG A 42 -0.032 -0.061 11.964 1.00 1.30 H new ATOM 0 HE ARG A 42 1.347 2.206 12.459 1.00 1.86 H new ATOM 0 HH11 ARG A 42 1.524 -1.006 13.920 1.00 2.55 H new ATOM 0 HH12 ARG A 42 3.224 -0.832 14.370 1.00 2.55 H new ATOM 0 HH21 ARG A 42 3.512 2.433 13.056 1.00 3.13 H new ATOM 0 HH22 ARG A 42 4.348 1.113 13.880 1.00 3.13 H new ATOM 699 N GLY A 43 -1.990 -0.951 10.155 1.00 0.40 N ATOM 700 CA GLY A 43 -1.361 -2.107 9.555 1.00 0.43 C ATOM 701 C GLY A 43 0.092 -1.850 9.240 1.00 0.38 C ATOM 702 O GLY A 43 0.457 -0.731 8.874 1.00 0.39 O ATOM 0 H GLY A 43 -2.102 -0.151 9.532 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -1.442 -2.958 10.232 1.00 0.43 H new ATOM 0 HA3 GLY A 43 -1.890 -2.376 8.641 1.00 0.43 H new ATOM 706 N ALA A 44 0.923 -2.867 9.381 1.00 0.38 N ATOM 707 CA ALA A 44 2.343 -2.714 9.132 1.00 0.39 C ATOM 708 C ALA A 44 2.914 -3.930 8.416 1.00 0.44 C ATOM 709 O ALA A 44 2.788 -5.062 8.880 1.00 0.53 O ATOM 710 CB ALA A 44 3.082 -2.477 10.439 1.00 0.46 C ATOM 0 H ALA A 44 0.639 -3.804 9.666 1.00 0.38 H new ATOM 0 HA ALA A 44 2.480 -1.849 8.483 1.00 0.39 H new ATOM 0 HB1 ALA A 44 4.148 -2.364 10.239 1.00 0.46 H new ATOM 0 HB2 ALA A 44 2.703 -1.571 10.912 1.00 0.46 H new ATOM 0 HB3 ALA A 44 2.926 -3.326 11.104 1.00 0.46 H new ATOM 716 N VAL A 45 3.523 -3.678 7.271 1.00 0.45 N ATOM 717 CA VAL A 45 4.218 -4.703 6.515 1.00 0.54 C ATOM 718 C VAL A 45 5.538 -4.120 6.022 1.00 0.47 C ATOM 719 O VAL A 45 5.649 -2.909 5.851 1.00 0.49 O ATOM 720 CB VAL A 45 3.366 -5.193 5.315 1.00 0.70 C ATOM 721 CG1 VAL A 45 3.134 -4.074 4.309 1.00 1.21 C ATOM 722 CG2 VAL A 45 4.008 -6.401 4.645 1.00 1.50 C ATOM 0 H VAL A 45 3.549 -2.754 6.839 1.00 0.45 H new ATOM 0 HA VAL A 45 4.399 -5.565 7.157 1.00 0.54 H new ATOM 0 HB VAL A 45 2.395 -5.499 5.703 1.00 0.70 H new ATOM 0 HG11 VAL A 45 2.534 -4.449 3.480 1.00 1.21 H new ATOM 0 HG12 VAL A 45 2.609 -3.251 4.794 1.00 1.21 H new ATOM 0 HG13 VAL A 45 4.093 -3.719 3.932 1.00 1.21 H new ATOM 0 HG21 VAL A 45 3.390 -6.724 3.807 1.00 1.50 H new ATOM 0 HG22 VAL A 45 5.000 -6.131 4.282 1.00 1.50 H new ATOM 0 HG23 VAL A 45 4.095 -7.214 5.366 1.00 1.50 H new ATOM 732 N SER A 46 6.538 -4.957 5.815 1.00 0.51 N ATOM 733 CA SER A 46 7.843 -4.476 5.397 1.00 0.62 C ATOM 734 C SER A 46 7.803 -4.053 3.932 1.00 0.74 C ATOM 735 O SER A 46 7.159 -4.699 3.109 1.00 1.13 O ATOM 736 CB SER A 46 8.889 -5.567 5.615 1.00 0.78 C ATOM 737 OG SER A 46 8.493 -6.774 4.989 1.00 1.26 O ATOM 0 H SER A 46 6.473 -5.969 5.929 1.00 0.51 H new ATOM 0 HA SER A 46 8.114 -3.607 5.996 1.00 0.62 H new ATOM 0 HB2 SER A 46 9.849 -5.242 5.214 1.00 0.78 H new ATOM 0 HB3 SER A 46 9.029 -5.735 6.683 1.00 0.78 H new ATOM 0 HG SER A 46 9.177 -7.460 5.139 1.00 1.26 H new ATOM 743 N GLU A 47 8.498 -2.958 3.626 1.00 0.64 N ATOM 744 CA GLU A 47 8.497 -2.392 2.279 1.00 0.78 C ATOM 745 C GLU A 47 9.102 -3.369 1.280 1.00 0.69 C ATOM 746 O GLU A 47 8.790 -3.331 0.093 1.00 0.81 O ATOM 747 CB GLU A 47 9.267 -1.072 2.241 1.00 1.15 C ATOM 748 CG GLU A 47 10.705 -1.199 2.703 1.00 1.53 C ATOM 749 CD GLU A 47 11.543 0.006 2.346 1.00 1.83 C ATOM 750 OE1 GLU A 47 11.277 1.101 2.872 1.00 2.34 O ATOM 751 OE2 GLU A 47 12.468 -0.134 1.516 1.00 2.01 O ATOM 0 H GLU A 47 9.071 -2.444 4.296 1.00 0.64 H new ATOM 0 HA GLU A 47 7.460 -2.202 2.002 1.00 0.78 H new ATOM 0 HB2 GLU A 47 9.253 -0.681 1.223 1.00 1.15 H new ATOM 0 HB3 GLU A 47 8.755 -0.343 2.869 1.00 1.15 H new ATOM 0 HG2 GLU A 47 10.723 -1.341 3.783 1.00 1.53 H new ATOM 0 HG3 GLU A 47 11.148 -2.089 2.256 1.00 1.53 H new ATOM 758 N LYS A 48 9.974 -4.239 1.777 1.00 0.67 N ATOM 759 CA LYS A 48 10.604 -5.253 0.950 1.00 0.76 C ATOM 760 C LYS A 48 9.604 -6.332 0.537 1.00 0.70 C ATOM 761 O LYS A 48 9.766 -6.969 -0.502 1.00 0.83 O ATOM 762 CB LYS A 48 11.795 -5.882 1.684 1.00 0.93 C ATOM 763 CG LYS A 48 11.431 -6.556 2.998 1.00 1.63 C ATOM 764 CD LYS A 48 12.652 -7.167 3.662 1.00 2.06 C ATOM 765 CE LYS A 48 12.286 -7.893 4.942 1.00 2.59 C ATOM 766 NZ LYS A 48 13.480 -8.462 5.613 1.00 3.35 N ATOM 0 H LYS A 48 10.260 -4.259 2.756 1.00 0.67 H new ATOM 0 HA LYS A 48 10.967 -4.766 0.045 1.00 0.76 H new ATOM 0 HB2 LYS A 48 12.264 -6.616 1.029 1.00 0.93 H new ATOM 0 HB3 LYS A 48 12.537 -5.108 1.879 1.00 0.93 H new ATOM 0 HG2 LYS A 48 10.976 -5.827 3.669 1.00 1.63 H new ATOM 0 HG3 LYS A 48 10.687 -7.331 2.817 1.00 1.63 H new ATOM 0 HD2 LYS A 48 13.132 -7.862 2.973 1.00 2.06 H new ATOM 0 HD3 LYS A 48 13.378 -6.384 3.882 1.00 2.06 H new ATOM 0 HE2 LYS A 48 11.782 -7.204 5.620 1.00 2.59 H new ATOM 0 HE3 LYS A 48 11.580 -8.692 4.717 1.00 2.59 H new ATOM 0 HZ1 LYS A 48 13.189 -8.950 6.484 1.00 3.35 H new ATOM 0 HZ2 LYS A 48 13.947 -9.139 4.976 1.00 3.35 H new ATOM 0 HZ3 LYS A 48 14.143 -7.696 5.850 1.00 3.35 H new ATOM 780 N ASP A 49 8.569 -6.529 1.348 1.00 0.59 N ATOM 781 CA ASP A 49 7.558 -7.551 1.075 1.00 0.65 C ATOM 782 C ASP A 49 6.257 -6.889 0.628 1.00 0.66 C ATOM 783 O ASP A 49 5.252 -7.556 0.380 1.00 0.72 O ATOM 784 CB ASP A 49 7.317 -8.401 2.332 1.00 0.68 C ATOM 785 CG ASP A 49 6.647 -9.736 2.048 1.00 1.28 C ATOM 786 OD1 ASP A 49 5.401 -9.795 1.988 1.00 2.22 O ATOM 787 OD2 ASP A 49 7.369 -10.746 1.907 1.00 1.27 O ATOM 0 H ASP A 49 8.406 -5.995 2.201 1.00 0.59 H new ATOM 0 HA ASP A 49 7.915 -8.201 0.276 1.00 0.65 H new ATOM 0 HB2 ASP A 49 8.272 -8.582 2.826 1.00 0.68 H new ATOM 0 HB3 ASP A 49 6.699 -7.835 3.029 1.00 0.68 H new ATOM 792 N ALA A 50 6.294 -5.570 0.503 1.00 0.69 N ATOM 793 CA ALA A 50 5.105 -4.793 0.185 1.00 0.72 C ATOM 794 C ALA A 50 4.595 -5.107 -1.220 1.00 0.70 C ATOM 795 O ALA A 50 5.365 -5.146 -2.180 1.00 0.79 O ATOM 796 CB ALA A 50 5.382 -3.304 0.332 1.00 0.87 C ATOM 0 H ALA A 50 7.141 -5.013 0.618 1.00 0.69 H new ATOM 0 HA ALA A 50 4.326 -5.073 0.894 1.00 0.72 H new ATOM 0 HB1 ALA A 50 4.481 -2.741 0.090 1.00 0.87 H new ATOM 0 HB2 ALA A 50 5.680 -3.089 1.358 1.00 0.87 H new ATOM 0 HB3 ALA A 50 6.184 -3.014 -0.347 1.00 0.87 H new ATOM 802 N PRO A 51 3.290 -5.367 -1.345 1.00 0.65 N ATOM 803 CA PRO A 51 2.660 -5.679 -2.616 1.00 0.70 C ATOM 804 C PRO A 51 2.126 -4.438 -3.334 1.00 0.72 C ATOM 805 O PRO A 51 1.553 -3.562 -2.696 1.00 1.01 O ATOM 806 CB PRO A 51 1.497 -6.597 -2.210 1.00 0.72 C ATOM 807 CG PRO A 51 1.362 -6.482 -0.716 1.00 0.73 C ATOM 808 CD PRO A 51 2.316 -5.410 -0.259 1.00 0.64 C ATOM 0 HA PRO A 51 3.364 -6.127 -3.317 1.00 0.70 H new ATOM 0 HB2 PRO A 51 0.574 -6.297 -2.707 1.00 0.72 H new ATOM 0 HB3 PRO A 51 1.696 -7.628 -2.503 1.00 0.72 H new ATOM 0 HG2 PRO A 51 0.338 -6.227 -0.442 1.00 0.73 H new ATOM 0 HG3 PRO A 51 1.594 -7.432 -0.235 1.00 0.73 H new ATOM 0 HD2 PRO A 51 1.815 -4.451 -0.126 1.00 0.64 H new ATOM 0 HD3 PRO A 51 2.782 -5.661 0.694 1.00 0.64 H new ATOM 816 N LYS A 52 2.331 -4.388 -4.649 1.00 0.61 N ATOM 817 CA LYS A 52 1.994 -3.233 -5.498 1.00 0.70 C ATOM 818 C LYS A 52 0.686 -2.545 -5.103 1.00 0.60 C ATOM 819 O LYS A 52 0.664 -1.323 -4.977 1.00 0.70 O ATOM 820 CB LYS A 52 1.915 -3.688 -6.960 1.00 1.04 C ATOM 821 CG LYS A 52 1.641 -2.572 -7.962 1.00 1.38 C ATOM 822 CD LYS A 52 2.746 -1.527 -7.960 1.00 2.01 C ATOM 823 CE LYS A 52 2.706 -0.662 -9.214 1.00 2.22 C ATOM 824 NZ LYS A 52 1.413 0.058 -9.377 1.00 2.97 N ATOM 0 H LYS A 52 2.744 -5.162 -5.170 1.00 0.61 H new ATOM 0 HA LYS A 52 2.785 -2.496 -5.359 1.00 0.70 H new ATOM 0 HB2 LYS A 52 2.854 -4.174 -7.226 1.00 1.04 H new ATOM 0 HB3 LYS A 52 1.130 -4.439 -7.050 1.00 1.04 H new ATOM 0 HG2 LYS A 52 1.544 -2.996 -8.961 1.00 1.38 H new ATOM 0 HG3 LYS A 52 0.690 -2.096 -7.724 1.00 1.38 H new ATOM 0 HD2 LYS A 52 2.647 -0.894 -7.078 1.00 2.01 H new ATOM 0 HD3 LYS A 52 3.715 -2.022 -7.890 1.00 2.01 H new ATOM 0 HE2 LYS A 52 3.518 0.064 -9.175 1.00 2.22 H new ATOM 0 HE3 LYS A 52 2.880 -1.289 -10.088 1.00 2.22 H new ATOM 0 HZ1 LYS A 52 1.033 -0.122 -10.328 1.00 2.97 H new ATOM 0 HZ2 LYS A 52 0.735 -0.280 -8.664 1.00 2.97 H new ATOM 0 HZ3 LYS A 52 1.566 1.079 -9.253 1.00 2.97 H new ATOM 838 N GLU A 53 -0.387 -3.320 -4.925 1.00 0.67 N ATOM 839 CA GLU A 53 -1.676 -2.781 -4.482 1.00 0.82 C ATOM 840 C GLU A 53 -1.512 -1.737 -3.369 1.00 0.80 C ATOM 841 O GLU A 53 -2.134 -0.676 -3.406 1.00 1.00 O ATOM 842 CB GLU A 53 -2.565 -3.925 -3.996 1.00 1.09 C ATOM 843 CG GLU A 53 -3.916 -3.987 -4.688 1.00 1.69 C ATOM 844 CD GLU A 53 -4.797 -2.800 -4.364 1.00 2.07 C ATOM 845 OE1 GLU A 53 -5.321 -2.735 -3.232 1.00 2.77 O ATOM 846 OE2 GLU A 53 -4.949 -1.916 -5.229 1.00 2.33 O ATOM 0 H GLU A 53 -0.388 -4.328 -5.082 1.00 0.67 H new ATOM 0 HA GLU A 53 -2.140 -2.281 -5.332 1.00 0.82 H new ATOM 0 HB2 GLU A 53 -2.044 -4.869 -4.152 1.00 1.09 H new ATOM 0 HB3 GLU A 53 -2.721 -3.820 -2.922 1.00 1.09 H new ATOM 0 HG2 GLU A 53 -3.765 -4.037 -5.766 1.00 1.69 H new ATOM 0 HG3 GLU A 53 -4.427 -4.904 -4.395 1.00 1.69 H new ATOM 853 N LEU A 54 -0.653 -2.037 -2.404 1.00 0.69 N ATOM 854 CA LEU A 54 -0.388 -1.128 -1.298 1.00 0.74 C ATOM 855 C LEU A 54 0.877 -0.313 -1.583 1.00 0.78 C ATOM 856 O LEU A 54 0.955 0.866 -1.246 1.00 1.15 O ATOM 857 CB LEU A 54 -0.244 -1.940 0.006 1.00 0.78 C ATOM 858 CG LEU A 54 -0.276 -1.149 1.328 1.00 0.83 C ATOM 859 CD1 LEU A 54 1.058 -0.468 1.603 1.00 1.34 C ATOM 860 CD2 LEU A 54 -1.406 -0.127 1.310 1.00 1.82 C ATOM 0 H LEU A 54 -0.125 -2.909 -2.366 1.00 0.69 H new ATOM 0 HA LEU A 54 -1.219 -0.431 -1.185 1.00 0.74 H new ATOM 0 HB2 LEU A 54 -1.043 -2.680 0.034 1.00 0.78 H new ATOM 0 HB3 LEU A 54 0.697 -2.488 -0.038 1.00 0.78 H new ATOM 0 HG LEU A 54 -0.458 -1.858 2.136 1.00 0.83 H new ATOM 0 HD11 LEU A 54 0.999 0.081 2.543 1.00 1.34 H new ATOM 0 HD12 LEU A 54 1.844 -1.221 1.670 1.00 1.34 H new ATOM 0 HD13 LEU A 54 1.287 0.224 0.793 1.00 1.34 H new ATOM 0 HD21 LEU A 54 -1.414 0.423 2.251 1.00 1.82 H new ATOM 0 HD22 LEU A 54 -1.254 0.569 0.485 1.00 1.82 H new ATOM 0 HD23 LEU A 54 -2.359 -0.640 1.181 1.00 1.82 H new ATOM 872 N LEU A 55 1.853 -0.952 -2.228 1.00 0.63 N ATOM 873 CA LEU A 55 3.147 -0.326 -2.490 1.00 0.65 C ATOM 874 C LEU A 55 3.001 0.903 -3.394 1.00 0.66 C ATOM 875 O LEU A 55 3.717 1.895 -3.231 1.00 0.76 O ATOM 876 CB LEU A 55 4.112 -1.348 -3.118 1.00 0.68 C ATOM 877 CG LEU A 55 5.615 -1.039 -2.969 1.00 0.99 C ATOM 878 CD1 LEU A 55 6.439 -2.289 -3.220 1.00 1.18 C ATOM 879 CD2 LEU A 55 6.053 0.061 -3.926 1.00 1.87 C ATOM 0 H LEU A 55 1.770 -1.906 -2.579 1.00 0.63 H new ATOM 0 HA LEU A 55 3.558 0.012 -1.539 1.00 0.65 H new ATOM 0 HB2 LEU A 55 3.916 -2.324 -2.673 1.00 0.68 H new ATOM 0 HB3 LEU A 55 3.882 -1.430 -4.180 1.00 0.68 H new ATOM 0 HG LEU A 55 5.780 -0.694 -1.948 1.00 0.99 H new ATOM 0 HD11 LEU A 55 7.498 -2.055 -3.111 1.00 1.18 H new ATOM 0 HD12 LEU A 55 6.162 -3.058 -2.499 1.00 1.18 H new ATOM 0 HD13 LEU A 55 6.250 -2.653 -4.230 1.00 1.18 H new ATOM 0 HD21 LEU A 55 7.118 0.254 -3.795 1.00 1.87 H new ATOM 0 HD22 LEU A 55 5.865 -0.254 -4.953 1.00 1.87 H new ATOM 0 HD23 LEU A 55 5.491 0.971 -3.716 1.00 1.87 H new ATOM 891 N ASP A 56 2.060 0.856 -4.325 1.00 0.64 N ATOM 892 CA ASP A 56 1.824 1.980 -5.225 1.00 0.69 C ATOM 893 C ASP A 56 1.220 3.152 -4.459 1.00 0.76 C ATOM 894 O ASP A 56 1.657 4.299 -4.601 1.00 0.90 O ATOM 895 CB ASP A 56 0.882 1.565 -6.355 1.00 0.79 C ATOM 896 CG ASP A 56 0.629 2.679 -7.350 1.00 1.12 C ATOM 897 OD1 ASP A 56 -0.186 3.574 -7.056 1.00 1.59 O ATOM 898 OD2 ASP A 56 1.222 2.643 -8.450 1.00 1.33 O ATOM 0 H ASP A 56 1.448 0.055 -4.479 1.00 0.64 H new ATOM 0 HA ASP A 56 2.779 2.287 -5.652 1.00 0.69 H new ATOM 0 HB2 ASP A 56 1.305 0.707 -6.877 1.00 0.79 H new ATOM 0 HB3 ASP A 56 -0.068 1.242 -5.929 1.00 0.79 H new ATOM 903 N MET A 57 0.235 2.854 -3.620 1.00 0.75 N ATOM 904 CA MET A 57 -0.391 3.872 -2.789 1.00 0.87 C ATOM 905 C MET A 57 0.468 4.107 -1.556 1.00 0.95 C ATOM 906 O MET A 57 0.036 3.893 -0.427 1.00 1.44 O ATOM 907 CB MET A 57 -1.812 3.463 -2.394 1.00 0.97 C ATOM 908 CG MET A 57 -2.777 3.412 -3.567 1.00 1.08 C ATOM 909 SD MET A 57 -4.482 3.127 -3.053 1.00 1.54 S ATOM 910 CE MET A 57 -5.327 3.190 -4.631 1.00 2.05 C ATOM 0 H MET A 57 -0.146 1.916 -3.498 1.00 0.75 H new ATOM 0 HA MET A 57 -0.467 4.799 -3.357 1.00 0.87 H new ATOM 0 HB2 MET A 57 -1.780 2.483 -1.917 1.00 0.97 H new ATOM 0 HB3 MET A 57 -2.191 4.166 -1.652 1.00 0.97 H new ATOM 0 HG2 MET A 57 -2.720 4.350 -4.120 1.00 1.08 H new ATOM 0 HG3 MET A 57 -2.471 2.620 -4.250 1.00 1.08 H new ATOM 0 HE1 MET A 57 -6.394 3.030 -4.479 1.00 2.05 H new ATOM 0 HE2 MET A 57 -5.168 4.166 -5.090 1.00 2.05 H new ATOM 0 HE3 MET A 57 -4.934 2.412 -5.286 1.00 2.05 H new ATOM 920 N LEU A 58 1.676 4.594 -1.802 1.00 0.84 N ATOM 921 CA LEU A 58 2.729 4.689 -0.803 1.00 0.89 C ATOM 922 C LEU A 58 3.891 5.425 -1.455 1.00 0.97 C ATOM 923 O LEU A 58 4.399 6.420 -0.935 1.00 1.36 O ATOM 924 CB LEU A 58 3.155 3.293 -0.315 1.00 0.97 C ATOM 925 CG LEU A 58 4.223 3.242 0.796 1.00 0.87 C ATOM 926 CD1 LEU A 58 5.627 3.385 0.223 1.00 1.63 C ATOM 927 CD2 LEU A 58 3.966 4.317 1.843 1.00 1.59 C ATOM 0 H LEU A 58 1.956 4.941 -2.719 1.00 0.84 H new ATOM 0 HA LEU A 58 2.380 5.228 0.078 1.00 0.89 H new ATOM 0 HB2 LEU A 58 2.267 2.772 0.043 1.00 0.97 H new ATOM 0 HB3 LEU A 58 3.529 2.733 -1.172 1.00 0.97 H new ATOM 0 HG LEU A 58 4.152 2.266 1.275 1.00 0.87 H new ATOM 0 HD11 LEU A 58 6.356 3.345 1.032 1.00 1.63 H new ATOM 0 HD12 LEU A 58 5.818 2.573 -0.478 1.00 1.63 H new ATOM 0 HD13 LEU A 58 5.713 4.340 -0.296 1.00 1.63 H new ATOM 0 HD21 LEU A 58 4.732 4.262 2.617 1.00 1.59 H new ATOM 0 HD22 LEU A 58 3.997 5.299 1.371 1.00 1.59 H new ATOM 0 HD23 LEU A 58 2.985 4.161 2.292 1.00 1.59 H new ATOM 939 N ALA A 59 4.271 4.935 -2.633 1.00 0.84 N ATOM 940 CA ALA A 59 5.296 5.574 -3.446 1.00 0.93 C ATOM 941 C ALA A 59 4.783 6.888 -4.029 1.00 0.99 C ATOM 942 O ALA A 59 5.533 7.668 -4.607 1.00 1.11 O ATOM 943 CB ALA A 59 5.743 4.643 -4.561 1.00 1.07 C ATOM 0 H ALA A 59 3.878 4.089 -3.046 1.00 0.84 H new ATOM 0 HA ALA A 59 6.152 5.793 -2.807 1.00 0.93 H new ATOM 0 HB1 ALA A 59 6.509 5.135 -5.160 1.00 1.07 H new ATOM 0 HB2 ALA A 59 6.151 3.729 -4.130 1.00 1.07 H new ATOM 0 HB3 ALA A 59 4.890 4.397 -5.194 1.00 1.07 H new ATOM 949 N ARG A 60 3.484 7.113 -3.892 1.00 1.13 N ATOM 950 CA ARG A 60 2.879 8.383 -4.265 1.00 1.40 C ATOM 951 C ARG A 60 3.140 9.440 -3.193 1.00 1.53 C ATOM 952 O ARG A 60 2.857 10.620 -3.393 1.00 1.94 O ATOM 953 CB ARG A 60 1.370 8.217 -4.459 1.00 1.59 C ATOM 954 CG ARG A 60 0.653 7.697 -3.220 1.00 1.74 C ATOM 955 CD ARG A 60 -0.854 7.833 -3.342 1.00 1.93 C ATOM 956 NE ARG A 60 -1.273 9.232 -3.392 1.00 2.28 N ATOM 957 CZ ARG A 60 -2.238 9.749 -2.632 1.00 2.83 C ATOM 958 NH1 ARG A 60 -2.861 8.996 -1.731 1.00 3.12 N ATOM 959 NH2 ARG A 60 -2.569 11.029 -2.765 1.00 3.60 N ATOM 0 H ARG A 60 2.825 6.427 -3.523 1.00 1.13 H new ATOM 0 HA ARG A 60 3.330 8.709 -5.202 1.00 1.40 H new ATOM 0 HB2 ARG A 60 0.940 9.178 -4.742 1.00 1.59 H new ATOM 0 HB3 ARG A 60 1.191 7.532 -5.287 1.00 1.59 H new ATOM 0 HG2 ARG A 60 0.912 6.650 -3.063 1.00 1.74 H new ATOM 0 HG3 ARG A 60 0.998 8.246 -2.343 1.00 1.74 H new ATOM 0 HD2 ARG A 60 -1.193 7.320 -4.242 1.00 1.93 H new ATOM 0 HD3 ARG A 60 -1.333 7.341 -2.495 1.00 1.93 H new ATOM 0 HE ARG A 60 -0.798 9.851 -4.049 1.00 2.28 H new ATOM 0 HH11 ARG A 60 -2.601 8.016 -1.618 1.00 3.12 H new ATOM 0 HH12 ARG A 60 -3.599 9.398 -1.153 1.00 3.12 H new ATOM 0 HH21 ARG A 60 -2.085 11.613 -3.447 1.00 3.60 H new ATOM 0 HH22 ARG A 60 -3.307 11.428 -2.185 1.00 3.60 H new ATOM 973 N ALA A 61 3.696 9.008 -2.068 1.00 1.52 N ATOM 974 CA ALA A 61 3.854 9.877 -0.911 1.00 1.79 C ATOM 975 C ALA A 61 5.322 10.146 -0.606 1.00 1.71 C ATOM 976 O ALA A 61 5.677 11.229 -0.136 1.00 2.10 O ATOM 977 CB ALA A 61 3.163 9.272 0.303 1.00 1.95 C ATOM 0 H ALA A 61 4.045 8.059 -1.933 1.00 1.52 H new ATOM 0 HA ALA A 61 3.385 10.832 -1.148 1.00 1.79 H new ATOM 0 HB1 ALA A 61 3.290 9.933 1.161 1.00 1.95 H new ATOM 0 HB2 ALA A 61 2.100 9.149 0.093 1.00 1.95 H new ATOM 0 HB3 ALA A 61 3.604 8.300 0.526 1.00 1.95 H new ATOM 983 N GLU A 62 6.173 9.162 -0.867 1.00 1.51 N ATOM 984 CA GLU A 62 7.599 9.317 -0.625 1.00 1.64 C ATOM 985 C GLU A 62 8.265 10.067 -1.780 1.00 1.93 C ATOM 986 O GLU A 62 7.587 10.498 -2.717 1.00 2.42 O ATOM 987 CB GLU A 62 8.264 7.956 -0.348 1.00 1.89 C ATOM 988 CG GLU A 62 7.910 6.844 -1.330 1.00 2.14 C ATOM 989 CD GLU A 62 8.653 6.947 -2.642 1.00 2.57 C ATOM 990 OE1 GLU A 62 9.802 6.466 -2.718 1.00 2.91 O ATOM 991 OE2 GLU A 62 8.093 7.509 -3.595 1.00 2.98 O ATOM 0 H GLU A 62 5.902 8.254 -1.244 1.00 1.51 H new ATOM 0 HA GLU A 62 7.736 9.922 0.272 1.00 1.64 H new ATOM 0 HB2 GLU A 62 9.346 8.091 -0.353 1.00 1.89 H new ATOM 0 HB3 GLU A 62 7.988 7.633 0.656 1.00 1.89 H new ATOM 0 HG2 GLU A 62 8.129 5.880 -0.871 1.00 2.14 H new ATOM 0 HG3 GLU A 62 6.838 6.868 -1.525 1.00 2.14 H new ATOM 998 N ARG A 63 9.585 10.238 -1.692 1.00 2.16 N ATOM 999 CA ARG A 63 10.347 11.046 -2.657 1.00 2.69 C ATOM 1000 C ARG A 63 9.931 12.517 -2.618 1.00 2.85 C ATOM 1001 O ARG A 63 10.336 13.304 -3.474 1.00 3.26 O ATOM 1002 CB ARG A 63 10.214 10.497 -4.084 1.00 3.11 C ATOM 1003 CG ARG A 63 11.116 9.307 -4.368 1.00 3.13 C ATOM 1004 CD ARG A 63 10.793 8.674 -5.712 1.00 3.11 C ATOM 1005 NE ARG A 63 9.463 8.078 -5.706 1.00 2.92 N ATOM 1006 CZ ARG A 63 8.850 7.571 -6.768 1.00 3.14 C ATOM 1007 NH1 ARG A 63 9.448 7.555 -7.954 1.00 3.60 N ATOM 1008 NH2 ARG A 63 7.627 7.072 -6.632 1.00 3.44 N ATOM 0 H ARG A 63 10.157 9.825 -0.956 1.00 2.16 H new ATOM 0 HA ARG A 63 11.394 10.980 -2.360 1.00 2.69 H new ATOM 0 HB2 ARG A 63 9.178 10.206 -4.256 1.00 3.11 H new ATOM 0 HB3 ARG A 63 10.443 11.293 -4.793 1.00 3.11 H new ATOM 0 HG2 ARG A 63 12.158 9.627 -4.356 1.00 3.13 H new ATOM 0 HG3 ARG A 63 11.001 8.565 -3.578 1.00 3.13 H new ATOM 0 HD2 ARG A 63 10.853 9.428 -6.496 1.00 3.11 H new ATOM 0 HD3 ARG A 63 11.536 7.911 -5.946 1.00 3.11 H new ATOM 0 HE ARG A 63 8.965 8.048 -4.816 1.00 2.92 H new ATOM 0 HH11 ARG A 63 10.389 7.935 -8.056 1.00 3.60 H new ATOM 0 HH12 ARG A 63 8.966 7.162 -8.763 1.00 3.60 H new ATOM 0 HH21 ARG A 63 7.171 7.082 -5.720 1.00 3.44 H new ATOM 0 HH22 ARG A 63 7.144 6.679 -7.440 1.00 3.44 H new ATOM 1022 N GLU A 64 9.156 12.883 -1.599 1.00 2.76 N ATOM 1023 CA GLU A 64 8.677 14.252 -1.416 1.00 3.00 C ATOM 1024 C GLU A 64 8.255 14.468 0.030 1.00 3.08 C ATOM 1025 O GLU A 64 7.098 14.776 0.321 1.00 3.72 O ATOM 1026 CB GLU A 64 7.491 14.565 -2.337 1.00 2.97 C ATOM 1027 CG GLU A 64 7.883 14.948 -3.751 1.00 3.43 C ATOM 1028 CD GLU A 64 6.714 15.482 -4.547 1.00 3.74 C ATOM 1029 OE1 GLU A 64 6.433 16.695 -4.454 1.00 4.00 O ATOM 1030 OE2 GLU A 64 6.069 14.694 -5.269 1.00 4.07 O ATOM 0 H GLU A 64 8.842 12.237 -0.875 1.00 2.76 H new ATOM 0 HA GLU A 64 9.498 14.922 -1.671 1.00 3.00 H new ATOM 0 HB2 GLU A 64 6.837 13.694 -2.377 1.00 2.97 H new ATOM 0 HB3 GLU A 64 6.912 15.378 -1.900 1.00 2.97 H new ATOM 0 HG2 GLU A 64 8.670 15.701 -3.716 1.00 3.43 H new ATOM 0 HG3 GLU A 64 8.298 14.077 -4.259 1.00 3.43 H new ATOM 1037 N LYS A 65 9.206 14.299 0.931 1.00 2.73 N ATOM 1038 CA LYS A 65 8.966 14.512 2.348 1.00 2.95 C ATOM 1039 C LYS A 65 10.284 14.802 3.047 1.00 2.86 C ATOM 1040 O LYS A 65 10.461 15.849 3.665 1.00 3.37 O ATOM 1041 CB LYS A 65 8.291 13.290 2.984 1.00 3.11 C ATOM 1042 CG LYS A 65 6.920 13.587 3.579 1.00 3.54 C ATOM 1043 CD LYS A 65 6.981 14.739 4.569 1.00 3.77 C ATOM 1044 CE LYS A 65 5.641 14.984 5.246 1.00 3.79 C ATOM 1045 NZ LYS A 65 5.675 16.198 6.107 1.00 4.11 N ATOM 0 H LYS A 65 10.159 14.013 0.705 1.00 2.73 H new ATOM 0 HA LYS A 65 8.295 15.364 2.462 1.00 2.95 H new ATOM 0 HB2 LYS A 65 8.189 12.509 2.230 1.00 3.11 H new ATOM 0 HB3 LYS A 65 8.939 12.895 3.766 1.00 3.11 H new ATOM 0 HG2 LYS A 65 6.220 13.829 2.780 1.00 3.54 H new ATOM 0 HG3 LYS A 65 6.538 12.697 4.078 1.00 3.54 H new ATOM 0 HD2 LYS A 65 7.736 14.526 5.326 1.00 3.77 H new ATOM 0 HD3 LYS A 65 7.296 15.645 4.051 1.00 3.77 H new ATOM 0 HE2 LYS A 65 4.865 15.096 4.488 1.00 3.79 H new ATOM 0 HE3 LYS A 65 5.374 14.117 5.850 1.00 3.79 H new ATOM 0 HZ1 LYS A 65 4.745 16.334 6.552 1.00 4.11 H new ATOM 0 HZ2 LYS A 65 6.398 16.080 6.845 1.00 4.11 H new ATOM 0 HZ3 LYS A 65 5.905 17.029 5.526 1.00 4.11 H new ATOM 1059 N LYS A 66 11.214 13.869 2.928 1.00 2.75 N ATOM 1060 CA LYS A 66 12.526 14.022 3.524 1.00 2.95 C ATOM 1061 C LYS A 66 13.579 14.198 2.434 1.00 3.53 C ATOM 1062 O LYS A 66 14.415 15.111 2.555 1.00 3.96 O ATOM 1063 CB LYS A 66 12.841 12.834 4.455 1.00 2.95 C ATOM 1064 CG LYS A 66 12.613 11.456 3.843 1.00 3.03 C ATOM 1065 CD LYS A 66 13.808 10.993 3.029 1.00 3.31 C ATOM 1066 CE LYS A 66 13.523 9.692 2.305 1.00 3.21 C ATOM 1067 NZ LYS A 66 14.654 9.292 1.427 1.00 3.29 N ATOM 1068 OXT LYS A 66 13.529 13.456 1.430 1.00 4.01 O ATOM 0 H LYS A 66 11.081 12.994 2.421 1.00 2.75 H new ATOM 0 HA LYS A 66 12.539 14.921 4.141 1.00 2.95 H new ATOM 0 HB2 LYS A 66 13.881 12.906 4.772 1.00 2.95 H new ATOM 0 HB3 LYS A 66 12.228 12.922 5.352 1.00 2.95 H new ATOM 0 HG2 LYS A 66 12.413 10.735 4.636 1.00 3.03 H new ATOM 0 HG3 LYS A 66 11.729 11.483 3.206 1.00 3.03 H new ATOM 0 HD2 LYS A 66 14.074 11.762 2.304 1.00 3.31 H new ATOM 0 HD3 LYS A 66 14.668 10.863 3.686 1.00 3.31 H new ATOM 0 HE2 LYS A 66 13.332 8.904 3.034 1.00 3.21 H new ATOM 0 HE3 LYS A 66 12.618 9.799 1.707 1.00 3.21 H new ATOM 0 HZ1 LYS A 66 14.423 8.398 0.949 1.00 3.29 H new ATOM 0 HZ2 LYS A 66 14.820 10.032 0.716 1.00 3.29 H new ATOM 0 HZ3 LYS A 66 15.512 9.165 2.002 1.00 3.29 H new TER 1082 LYS A 66