USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 733 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 46 LYS NZ :NH3+ 172:sc= 2.51 (180deg=1.16) USER MOD Set 1.2: A 50 SER OG : rot 83:sc= 2.1 USER MOD Set 2.1: A 39 LYS NZ :NH3+ -159:sc= 1.02 (180deg=-0.0702) USER MOD Set 2.2: A 41 THR OG1 : rot -22:sc= 1.62 USER MOD Set 3.1: A 25 LYS NZ :NH3+ -131:sc= 2.04 (180deg=0.428) USER MOD Set 3.2: A 35 HIS : no HE2:sc= 0.668 K(o=2.7,f=-4.6!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -142:sc= 0.584! (180deg=-3.76!) USER MOD Single : A 29 GLN : amide:sc= 0.318 X(o=0.32,f=-0.082) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -89:sc= 1.26 USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.06) USER MOD Single : A 40 MET CE :methyl 157:sc= -0.206 (180deg=-0.862) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 43 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1.6) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.12) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 1.98 (180deg=1.85) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 53:sc= 0.266 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 GLN : amide:sc= -0.0889 K(o=-0.089,f=-2.9!) USER MOD Single : A 59 MET CE :methyl 144:sc=-0.00155 (180deg=-0.296) USER MOD Single : A 60 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.011) USER MOD Single : A 61 SER OG : rot 170:sc= -0.535 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 74 ASN : amide:sc=-0.00243 K(o=-0.0024,f=-1.2) USER MOD Single : A 75 HIS : no HD1:sc= -1.85 K(o=-1.9,f=-3.2) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 78 LYS NZ :NH3+ 146:sc= 1.32 (180deg=1.17) USER MOD Single : A 82 MET CE :methyl -168:sc= 0 (180deg=-0.032) USER MOD Single : A 91 TYR OH : rot -178:sc= 1.24 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 61:sc= 0.14 USER MOD Single : B 1 LYS N :NH3+ 145:sc= 0.0131 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.2) USER MOD Single : B 8 THR OG1 : rot 163:sc= 0.64 USER MOD Single : B 11 SER OG : rot 74:sc= 0.512 USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 13 SER OG : rot 180:sc= 0.109 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 0.890 -8.283 7.419 1.00 2.10 N ATOM 2 CA TYR A 21 1.227 -8.146 5.985 1.00 1.86 C ATOM 3 C TYR A 21 2.637 -7.599 5.837 1.00 1.78 C ATOM 4 O TYR A 21 3.076 -6.795 6.657 1.00 1.85 O ATOM 5 CB TYR A 21 0.234 -7.213 5.281 1.00 1.79 C ATOM 6 CG TYR A 21 -1.218 -7.619 5.427 1.00 1.93 C ATOM 7 CD1 TYR A 21 -1.590 -8.959 5.485 1.00 2.26 C ATOM 8 CD2 TYR A 21 -2.218 -6.659 5.502 1.00 2.36 C ATOM 9 CE1 TYR A 21 -2.917 -9.326 5.615 1.00 2.53 C ATOM 10 CE2 TYR A 21 -3.544 -7.017 5.632 1.00 2.52 C ATOM 11 CZ TYR A 21 -3.890 -8.351 5.688 1.00 2.41 C ATOM 12 OH TYR A 21 -5.214 -8.711 5.814 1.00 2.72 O ATOM 0 HA TYR A 21 1.168 -9.130 5.521 1.00 1.86 H new ATOM 0 HB2 TYR A 21 0.358 -6.205 5.677 1.00 1.79 H new ATOM 0 HB3 TYR A 21 0.482 -7.172 4.220 1.00 1.79 H new ATOM 0 HD1 TYR A 21 -0.830 -9.724 5.428 1.00 2.26 H new ATOM 0 HD2 TYR A 21 -1.953 -5.613 5.458 1.00 2.36 H new ATOM 0 HE1 TYR A 21 -3.190 -10.370 5.659 1.00 2.53 H new ATOM 0 HE2 TYR A 21 -4.308 -6.256 5.690 1.00 2.52 H new ATOM 0 HH TYR A 21 -5.770 -7.905 5.853 1.00 2.72 H new ATOM 22 N ILE A 22 3.343 -8.035 4.805 1.00 1.66 N ATOM 23 CA ILE A 22 4.705 -7.580 4.568 1.00 1.60 C ATOM 24 C ILE A 22 4.715 -6.160 4.005 1.00 1.48 C ATOM 25 O ILE A 22 3.981 -5.846 3.067 1.00 1.43 O ATOM 26 CB ILE A 22 5.446 -8.526 3.594 1.00 1.60 C ATOM 27 CG1 ILE A 22 5.570 -9.935 4.191 1.00 1.81 C ATOM 28 CG2 ILE A 22 6.821 -7.977 3.243 1.00 1.58 C ATOM 29 CD1 ILE A 22 6.308 -9.988 5.515 1.00 1.99 C ATOM 0 H ILE A 22 2.995 -8.704 4.118 1.00 1.66 H new ATOM 0 HA ILE A 22 5.222 -7.586 5.528 1.00 1.60 H new ATOM 0 HB ILE A 22 4.858 -8.590 2.678 1.00 1.60 H new ATOM 0 HG12 ILE A 22 4.571 -10.348 4.328 1.00 1.81 H new ATOM 0 HG13 ILE A 22 6.085 -10.576 3.475 1.00 1.81 H new ATOM 0 HG21 ILE A 22 7.321 -8.660 2.557 1.00 1.58 H new ATOM 0 HG22 ILE A 22 6.713 -7.001 2.769 1.00 1.58 H new ATOM 0 HG23 ILE A 22 7.415 -7.875 4.151 1.00 1.58 H new ATOM 0 HD11 ILE A 22 6.351 -11.019 5.867 1.00 1.99 H new ATOM 0 HD12 ILE A 22 7.321 -9.607 5.383 1.00 1.99 H new ATOM 0 HD13 ILE A 22 5.784 -9.376 6.249 1.00 1.99 H new ATOM 41 N LYS A 23 5.519 -5.297 4.599 1.00 1.47 N ATOM 42 CA LYS A 23 5.623 -3.924 4.135 1.00 1.39 C ATOM 43 C LYS A 23 6.979 -3.677 3.493 1.00 1.34 C ATOM 44 O LYS A 23 8.018 -3.958 4.086 1.00 1.48 O ATOM 45 CB LYS A 23 5.412 -2.931 5.279 1.00 1.51 C ATOM 46 CG LYS A 23 3.956 -2.730 5.664 1.00 1.98 C ATOM 47 CD LYS A 23 3.481 -3.781 6.657 1.00 2.61 C ATOM 48 CE LYS A 23 4.003 -3.522 8.064 1.00 3.07 C ATOM 49 NZ LYS A 23 5.416 -3.960 8.240 1.00 2.83 N ATOM 0 H LYS A 23 6.108 -5.521 5.401 1.00 1.47 H new ATOM 0 HA LYS A 23 4.839 -3.771 3.394 1.00 1.39 H new ATOM 0 HB2 LYS A 23 5.964 -3.277 6.153 1.00 1.51 H new ATOM 0 HB3 LYS A 23 5.838 -1.969 4.994 1.00 1.51 H new ATOM 0 HG2 LYS A 23 3.829 -1.738 6.097 1.00 1.98 H new ATOM 0 HG3 LYS A 23 3.335 -2.769 4.769 1.00 1.98 H new ATOM 0 HD2 LYS A 23 2.391 -3.797 6.673 1.00 2.61 H new ATOM 0 HD3 LYS A 23 3.809 -4.766 6.325 1.00 2.61 H new ATOM 0 HE2 LYS A 23 3.926 -2.458 8.286 1.00 3.07 H new ATOM 0 HE3 LYS A 23 3.372 -4.044 8.783 1.00 3.07 H new ATOM 0 HZ1 LYS A 23 5.536 -4.372 9.187 1.00 2.83 H new ATOM 0 HZ2 LYS A 23 5.651 -4.673 7.520 1.00 2.83 H new ATOM 0 HZ3 LYS A 23 6.049 -3.141 8.135 1.00 2.83 H new ATOM 63 N LEU A 24 6.962 -3.167 2.275 1.00 1.21 N ATOM 64 CA LEU A 24 8.189 -2.861 1.557 1.00 1.21 C ATOM 65 C LEU A 24 8.415 -1.357 1.569 1.00 1.21 C ATOM 66 O LEU A 24 7.490 -0.592 1.312 1.00 1.15 O ATOM 67 CB LEU A 24 8.108 -3.367 0.113 1.00 1.15 C ATOM 68 CG LEU A 24 7.849 -4.866 -0.048 1.00 1.18 C ATOM 69 CD1 LEU A 24 7.610 -5.205 -1.509 1.00 1.15 C ATOM 70 CD2 LEU A 24 9.013 -5.679 0.502 1.00 1.36 C ATOM 0 H LEU A 24 6.108 -2.955 1.759 1.00 1.21 H new ATOM 0 HA LEU A 24 9.023 -3.361 2.049 1.00 1.21 H new ATOM 0 HB2 LEU A 24 7.315 -2.822 -0.400 1.00 1.15 H new ATOM 0 HB3 LEU A 24 9.042 -3.121 -0.392 1.00 1.15 H new ATOM 0 HG LEU A 24 6.956 -5.122 0.522 1.00 1.18 H new ATOM 0 HD11 LEU A 24 7.427 -6.275 -1.609 1.00 1.15 H new ATOM 0 HD12 LEU A 24 6.744 -4.653 -1.874 1.00 1.15 H new ATOM 0 HD13 LEU A 24 8.488 -4.931 -2.094 1.00 1.15 H new ATOM 0 HD21 LEU A 24 8.806 -6.742 0.376 1.00 1.36 H new ATOM 0 HD22 LEU A 24 9.924 -5.421 -0.037 1.00 1.36 H new ATOM 0 HD23 LEU A 24 9.143 -5.457 1.561 1.00 1.36 H new ATOM 82 N LYS A 25 9.624 -0.928 1.888 1.00 1.36 N ATOM 83 CA LYS A 25 9.923 0.494 1.918 1.00 1.42 C ATOM 84 C LYS A 25 10.630 0.920 0.638 1.00 1.43 C ATOM 85 O LYS A 25 11.750 0.491 0.349 1.00 1.55 O ATOM 86 CB LYS A 25 10.745 0.870 3.159 1.00 1.62 C ATOM 87 CG LYS A 25 11.983 0.017 3.376 1.00 1.51 C ATOM 88 CD LYS A 25 12.574 0.230 4.759 1.00 1.67 C ATOM 89 CE LYS A 25 11.668 -0.324 5.847 1.00 2.04 C ATOM 90 NZ LYS A 25 11.083 0.749 6.695 1.00 2.70 N ATOM 0 H LYS A 25 10.407 -1.536 2.128 1.00 1.36 H new ATOM 0 HA LYS A 25 8.978 1.034 1.981 1.00 1.42 H new ATOM 0 HB2 LYS A 25 11.048 1.914 3.076 1.00 1.62 H new ATOM 0 HB3 LYS A 25 10.107 0.793 4.039 1.00 1.62 H new ATOM 0 HG2 LYS A 25 11.728 -1.035 3.247 1.00 1.51 H new ATOM 0 HG3 LYS A 25 12.729 0.259 2.620 1.00 1.51 H new ATOM 0 HD2 LYS A 25 13.550 -0.253 4.817 1.00 1.67 H new ATOM 0 HD3 LYS A 25 12.735 1.295 4.926 1.00 1.67 H new ATOM 0 HE2 LYS A 25 10.864 -0.901 5.389 1.00 2.04 H new ATOM 0 HE3 LYS A 25 12.236 -1.011 6.475 1.00 2.04 H new ATOM 0 HZ1 LYS A 25 11.215 0.509 7.698 1.00 2.70 H new ATOM 0 HZ2 LYS A 25 11.557 1.651 6.489 1.00 2.70 H new ATOM 0 HZ3 LYS A 25 10.067 0.838 6.491 1.00 2.70 H new ATOM 104 N VAL A 26 9.939 1.739 -0.138 1.00 1.35 N ATOM 105 CA VAL A 26 10.463 2.243 -1.393 1.00 1.41 C ATOM 106 C VAL A 26 11.346 3.453 -1.139 1.00 1.60 C ATOM 107 O VAL A 26 10.896 4.449 -0.570 1.00 1.62 O ATOM 108 CB VAL A 26 9.330 2.644 -2.359 1.00 1.32 C ATOM 109 CG1 VAL A 26 9.867 2.825 -3.769 1.00 1.46 C ATOM 110 CG2 VAL A 26 8.208 1.616 -2.336 1.00 1.13 C ATOM 0 H VAL A 26 9.001 2.072 0.085 1.00 1.35 H new ATOM 0 HA VAL A 26 11.044 1.443 -1.851 1.00 1.41 H new ATOM 0 HB VAL A 26 8.920 3.597 -2.025 1.00 1.32 H new ATOM 0 HG11 VAL A 26 9.052 3.108 -4.435 1.00 1.46 H new ATOM 0 HG12 VAL A 26 10.626 3.607 -3.772 1.00 1.46 H new ATOM 0 HG13 VAL A 26 10.309 1.890 -4.113 1.00 1.46 H new ATOM 0 HG21 VAL A 26 7.421 1.921 -3.025 1.00 1.13 H new ATOM 0 HG22 VAL A 26 8.599 0.644 -2.638 1.00 1.13 H new ATOM 0 HG23 VAL A 26 7.800 1.545 -1.328 1.00 1.13 H new ATOM 120 N ILE A 27 12.600 3.359 -1.550 1.00 1.78 N ATOM 121 CA ILE A 27 13.545 4.449 -1.356 1.00 1.99 C ATOM 122 C ILE A 27 13.817 5.174 -2.668 1.00 2.13 C ATOM 123 O ILE A 27 14.195 4.555 -3.669 1.00 2.21 O ATOM 124 CB ILE A 27 14.881 3.948 -0.755 1.00 2.15 C ATOM 125 CG1 ILE A 27 14.628 3.204 0.565 1.00 2.07 C ATOM 126 CG2 ILE A 27 15.842 5.111 -0.535 1.00 2.39 C ATOM 127 CD1 ILE A 27 14.045 4.078 1.658 1.00 2.07 C ATOM 0 H ILE A 27 12.988 2.541 -2.020 1.00 1.78 H new ATOM 0 HA ILE A 27 13.089 5.143 -0.650 1.00 1.99 H new ATOM 0 HB ILE A 27 15.338 3.256 -1.462 1.00 2.15 H new ATOM 0 HG12 ILE A 27 13.950 2.372 0.378 1.00 2.07 H new ATOM 0 HG13 ILE A 27 15.567 2.777 0.916 1.00 2.07 H new ATOM 0 HG21 ILE A 27 16.775 4.737 -0.112 1.00 2.39 H new ATOM 0 HG22 ILE A 27 16.046 5.600 -1.488 1.00 2.39 H new ATOM 0 HG23 ILE A 27 15.394 5.828 0.152 1.00 2.39 H new ATOM 0 HD11 ILE A 27 13.894 3.483 2.558 1.00 2.07 H new ATOM 0 HD12 ILE A 27 14.732 4.896 1.875 1.00 2.07 H new ATOM 0 HD13 ILE A 27 13.089 4.484 1.328 1.00 2.07 H new ATOM 139 N GLY A 28 13.603 6.483 -2.660 1.00 2.21 N ATOM 140 CA GLY A 28 13.831 7.288 -3.843 1.00 2.40 C ATOM 141 C GLY A 28 15.206 7.928 -3.844 1.00 2.63 C ATOM 142 O GLY A 28 15.971 7.776 -2.890 1.00 2.64 O ATOM 0 H GLY A 28 13.273 7.005 -1.848 1.00 2.21 H new ATOM 0 HA2 GLY A 28 13.721 6.665 -4.731 1.00 2.40 H new ATOM 0 HA3 GLY A 28 13.070 8.066 -3.903 1.00 2.40 H new ATOM 146 N GLN A 29 15.510 8.665 -4.904 1.00 2.84 N ATOM 147 CA GLN A 29 16.802 9.325 -5.041 1.00 3.07 C ATOM 148 C GLN A 29 16.937 10.478 -4.047 1.00 3.11 C ATOM 149 O GLN A 29 18.034 10.778 -3.568 1.00 3.26 O ATOM 150 CB GLN A 29 16.983 9.838 -6.473 1.00 3.28 C ATOM 151 CG GLN A 29 18.341 10.468 -6.738 1.00 3.53 C ATOM 152 CD GLN A 29 19.494 9.505 -6.526 1.00 3.59 C ATOM 153 OE1 GLN A 29 19.893 8.779 -7.439 1.00 3.73 O ATOM 154 NE2 GLN A 29 20.040 9.501 -5.321 1.00 3.52 N ATOM 0 H GLN A 29 14.875 8.822 -5.687 1.00 2.84 H new ATOM 0 HA GLN A 29 17.582 8.595 -4.823 1.00 3.07 H new ATOM 0 HB2 GLN A 29 16.837 9.009 -7.166 1.00 3.28 H new ATOM 0 HB3 GLN A 29 16.206 10.572 -6.686 1.00 3.28 H new ATOM 0 HG2 GLN A 29 18.369 10.840 -7.762 1.00 3.53 H new ATOM 0 HG3 GLN A 29 18.470 11.330 -6.083 1.00 3.53 H new ATOM 0 HE21 GLN A 29 19.678 10.119 -4.595 1.00 3.52 H new ATOM 0 HE22 GLN A 29 20.823 8.880 -5.118 1.00 3.52 H new ATOM 163 N ASP A 30 15.819 11.110 -3.717 1.00 3.01 N ATOM 164 CA ASP A 30 15.821 12.233 -2.783 1.00 3.07 C ATOM 165 C ASP A 30 15.691 11.748 -1.340 1.00 2.98 C ATOM 166 O ASP A 30 15.243 12.487 -0.461 1.00 3.01 O ATOM 167 CB ASP A 30 14.702 13.227 -3.124 1.00 3.06 C ATOM 168 CG ASP A 30 13.312 12.683 -2.858 1.00 2.89 C ATOM 169 OD1 ASP A 30 12.962 11.623 -3.422 1.00 2.77 O ATOM 170 OD2 ASP A 30 12.555 13.319 -2.098 1.00 2.90 O ATOM 0 H ASP A 30 14.898 10.866 -4.081 1.00 3.01 H new ATOM 0 HA ASP A 30 16.777 12.747 -2.880 1.00 3.07 H new ATOM 0 HB2 ASP A 30 14.845 14.138 -2.542 1.00 3.06 H new ATOM 0 HB3 ASP A 30 14.781 13.505 -4.175 1.00 3.06 H new ATOM 175 N SER A 31 16.100 10.500 -1.112 1.00 2.89 N ATOM 176 CA SER A 31 16.064 9.883 0.212 1.00 2.82 C ATOM 177 C SER A 31 14.641 9.785 0.748 1.00 2.62 C ATOM 178 O SER A 31 14.397 9.970 1.941 1.00 2.65 O ATOM 179 CB SER A 31 16.952 10.669 1.183 1.00 3.05 C ATOM 180 OG SER A 31 18.277 10.763 0.686 1.00 3.25 O ATOM 0 H SER A 31 16.466 9.888 -1.842 1.00 2.89 H new ATOM 0 HA SER A 31 16.449 8.867 0.120 1.00 2.82 H new ATOM 0 HB2 SER A 31 16.542 11.668 1.331 1.00 3.05 H new ATOM 0 HB3 SER A 31 16.957 10.179 2.157 1.00 3.05 H new ATOM 0 HG SER A 31 18.828 11.269 1.318 1.00 3.25 H new ATOM 186 N SER A 32 13.703 9.491 -0.136 1.00 2.47 N ATOM 187 CA SER A 32 12.314 9.357 0.251 1.00 2.32 C ATOM 188 C SER A 32 12.002 7.910 0.615 1.00 2.11 C ATOM 189 O SER A 32 12.575 6.988 0.037 1.00 2.13 O ATOM 190 CB SER A 32 11.416 9.826 -0.889 1.00 2.33 C ATOM 191 OG SER A 32 12.014 9.567 -2.150 1.00 2.38 O ATOM 0 H SER A 32 13.882 9.341 -1.129 1.00 2.47 H new ATOM 0 HA SER A 32 12.127 9.977 1.127 1.00 2.32 H new ATOM 0 HB2 SER A 32 10.453 9.320 -0.829 1.00 2.33 H new ATOM 0 HB3 SER A 32 11.222 10.894 -0.787 1.00 2.33 H new ATOM 0 HG SER A 32 12.565 10.333 -2.414 1.00 2.38 H new ATOM 197 N GLU A 33 11.113 7.719 1.582 1.00 2.01 N ATOM 198 CA GLU A 33 10.732 6.382 2.011 1.00 1.87 C ATOM 199 C GLU A 33 9.216 6.232 1.991 1.00 1.79 C ATOM 200 O GLU A 33 8.498 6.963 2.673 1.00 2.00 O ATOM 201 CB GLU A 33 11.268 6.087 3.414 1.00 1.98 C ATOM 202 CG GLU A 33 11.074 4.640 3.848 1.00 2.57 C ATOM 203 CD GLU A 33 11.568 4.369 5.258 1.00 2.75 C ATOM 204 OE1 GLU A 33 12.264 5.233 5.832 1.00 2.98 O ATOM 205 OE2 GLU A 33 11.266 3.283 5.803 1.00 2.99 O ATOM 0 H GLU A 33 10.643 8.473 2.083 1.00 2.01 H new ATOM 0 HA GLU A 33 11.169 5.665 1.316 1.00 1.87 H new ATOM 0 HB2 GLU A 33 12.331 6.328 3.446 1.00 1.98 H new ATOM 0 HB3 GLU A 33 10.771 6.742 4.129 1.00 1.98 H new ATOM 0 HG2 GLU A 33 10.016 4.387 3.786 1.00 2.57 H new ATOM 0 HG3 GLU A 33 11.600 3.985 3.153 1.00 2.57 H new ATOM 212 N ILE A 34 8.739 5.305 1.179 1.00 1.58 N ATOM 213 CA ILE A 34 7.315 5.033 1.065 1.00 1.50 C ATOM 214 C ILE A 34 7.043 3.583 1.443 1.00 1.38 C ATOM 215 O ILE A 34 7.718 2.680 0.961 1.00 1.31 O ATOM 216 CB ILE A 34 6.800 5.302 -0.368 1.00 1.46 C ATOM 217 CG1 ILE A 34 6.964 6.782 -0.729 1.00 1.71 C ATOM 218 CG2 ILE A 34 5.345 4.877 -0.512 1.00 1.41 C ATOM 219 CD1 ILE A 34 6.536 7.118 -2.142 1.00 1.81 C ATOM 0 H ILE A 34 9.324 4.721 0.582 1.00 1.58 H new ATOM 0 HA ILE A 34 6.786 5.702 1.744 1.00 1.50 H new ATOM 0 HB ILE A 34 7.397 4.708 -1.059 1.00 1.46 H new ATOM 0 HG12 ILE A 34 6.382 7.383 -0.030 1.00 1.71 H new ATOM 0 HG13 ILE A 34 8.009 7.064 -0.599 1.00 1.71 H new ATOM 0 HG21 ILE A 34 5.007 5.077 -1.529 1.00 1.41 H new ATOM 0 HG22 ILE A 34 5.255 3.811 -0.302 1.00 1.41 H new ATOM 0 HG23 ILE A 34 4.731 5.439 0.192 1.00 1.41 H new ATOM 0 HD11 ILE A 34 6.682 8.183 -2.323 1.00 1.81 H new ATOM 0 HD12 ILE A 34 7.135 6.545 -2.850 1.00 1.81 H new ATOM 0 HD13 ILE A 34 5.483 6.869 -2.272 1.00 1.81 H new ATOM 231 N HIS A 35 6.073 3.357 2.315 1.00 1.41 N ATOM 232 CA HIS A 35 5.752 1.992 2.730 1.00 1.33 C ATOM 233 C HIS A 35 4.729 1.362 1.791 1.00 1.23 C ATOM 234 O HIS A 35 3.884 2.045 1.223 1.00 1.29 O ATOM 235 CB HIS A 35 5.236 1.964 4.171 1.00 1.46 C ATOM 236 CG HIS A 35 6.328 1.862 5.191 1.00 1.58 C ATOM 237 ND1 HIS A 35 6.106 1.789 6.547 1.00 1.91 N ATOM 238 CD2 HIS A 35 7.678 1.840 5.033 1.00 1.83 C ATOM 239 CE1 HIS A 35 7.293 1.719 7.158 1.00 2.04 C ATOM 240 NE2 HIS A 35 8.282 1.749 6.284 1.00 2.02 N ATOM 0 H HIS A 35 5.501 4.084 2.745 1.00 1.41 H new ATOM 0 HA HIS A 35 6.671 1.407 2.681 1.00 1.33 H new ATOM 0 HB2 HIS A 35 4.656 2.868 4.359 1.00 1.46 H new ATOM 0 HB3 HIS A 35 4.558 1.119 4.290 1.00 1.46 H new ATOM 0 HD1 HIS A 35 5.195 1.788 7.006 1.00 1.91 H new ATOM 0 HD2 HIS A 35 8.199 1.886 4.088 1.00 1.83 H new ATOM 0 HE1 HIS A 35 7.426 1.647 8.227 1.00 2.04 H new ATOM 248 N PHE A 36 4.820 0.055 1.624 1.00 1.15 N ATOM 249 CA PHE A 36 3.918 -0.660 0.738 1.00 1.06 C ATOM 250 C PHE A 36 3.379 -1.919 1.412 1.00 1.12 C ATOM 251 O PHE A 36 4.131 -2.850 1.693 1.00 1.18 O ATOM 252 CB PHE A 36 4.672 -1.029 -0.548 1.00 0.98 C ATOM 253 CG PHE A 36 3.803 -1.226 -1.760 1.00 0.94 C ATOM 254 CD1 PHE A 36 2.426 -1.301 -1.654 1.00 1.06 C ATOM 255 CD2 PHE A 36 4.380 -1.333 -3.017 1.00 1.25 C ATOM 256 CE1 PHE A 36 1.641 -1.482 -2.773 1.00 1.30 C ATOM 257 CE2 PHE A 36 3.598 -1.513 -4.140 1.00 1.53 C ATOM 258 CZ PHE A 36 2.227 -1.586 -4.020 1.00 1.49 C ATOM 0 H PHE A 36 5.510 -0.534 2.091 1.00 1.15 H new ATOM 0 HA PHE A 36 3.069 -0.019 0.498 1.00 1.06 H new ATOM 0 HB2 PHE A 36 5.398 -0.245 -0.763 1.00 0.98 H new ATOM 0 HB3 PHE A 36 5.236 -1.945 -0.371 1.00 0.98 H new ATOM 0 HD1 PHE A 36 1.960 -1.217 -0.683 1.00 1.06 H new ATOM 0 HD2 PHE A 36 5.454 -1.275 -3.118 1.00 1.25 H new ATOM 0 HE1 PHE A 36 0.567 -1.543 -2.675 1.00 1.30 H new ATOM 0 HE2 PHE A 36 4.060 -1.597 -5.112 1.00 1.53 H new ATOM 0 HZ PHE A 36 1.613 -1.724 -4.898 1.00 1.49 H new ATOM 268 N LYS A 37 2.080 -1.930 1.685 1.00 1.21 N ATOM 269 CA LYS A 37 1.437 -3.081 2.310 1.00 1.34 C ATOM 270 C LYS A 37 1.127 -4.150 1.266 1.00 1.28 C ATOM 271 O LYS A 37 0.148 -4.031 0.523 1.00 1.35 O ATOM 272 CB LYS A 37 0.138 -2.656 2.995 1.00 1.57 C ATOM 273 CG LYS A 37 0.044 -3.072 4.452 1.00 1.77 C ATOM 274 CD LYS A 37 -1.243 -2.570 5.089 1.00 2.07 C ATOM 275 CE LYS A 37 -1.245 -1.055 5.246 1.00 2.14 C ATOM 276 NZ LYS A 37 -2.505 -0.564 5.863 1.00 2.40 N ATOM 0 H LYS A 37 1.450 -1.154 1.483 1.00 1.21 H new ATOM 0 HA LYS A 37 2.121 -3.491 3.053 1.00 1.34 H new ATOM 0 HB2 LYS A 37 0.043 -1.572 2.930 1.00 1.57 H new ATOM 0 HB3 LYS A 37 -0.704 -3.083 2.451 1.00 1.57 H new ATOM 0 HG2 LYS A 37 0.089 -4.159 4.526 1.00 1.77 H new ATOM 0 HG3 LYS A 37 0.901 -2.680 5.000 1.00 1.77 H new ATOM 0 HD2 LYS A 37 -2.093 -2.873 4.478 1.00 2.07 H new ATOM 0 HD3 LYS A 37 -1.371 -3.036 6.066 1.00 2.07 H new ATOM 0 HE2 LYS A 37 -0.398 -0.753 5.861 1.00 2.14 H new ATOM 0 HE3 LYS A 37 -1.113 -0.589 4.270 1.00 2.14 H new ATOM 0 HZ1 LYS A 37 -2.403 0.442 6.108 1.00 2.40 H new ATOM 0 HZ2 LYS A 37 -3.289 -0.678 5.189 1.00 2.40 H new ATOM 0 HZ3 LYS A 37 -2.706 -1.111 6.724 1.00 2.40 H new ATOM 290 N VAL A 38 1.951 -5.185 1.207 1.00 1.24 N ATOM 291 CA VAL A 38 1.751 -6.258 0.243 1.00 1.25 C ATOM 292 C VAL A 38 1.267 -7.525 0.939 1.00 1.39 C ATOM 293 O VAL A 38 1.469 -7.702 2.142 1.00 1.48 O ATOM 294 CB VAL A 38 3.036 -6.561 -0.564 1.00 1.19 C ATOM 295 CG1 VAL A 38 3.626 -5.275 -1.119 1.00 1.57 C ATOM 296 CG2 VAL A 38 4.067 -7.302 0.280 1.00 1.27 C ATOM 0 H VAL A 38 2.763 -5.305 1.813 1.00 1.24 H new ATOM 0 HA VAL A 38 0.988 -5.918 -0.457 1.00 1.25 H new ATOM 0 HB VAL A 38 2.762 -7.211 -1.395 1.00 1.19 H new ATOM 0 HG11 VAL A 38 4.529 -5.503 -1.684 1.00 1.57 H new ATOM 0 HG12 VAL A 38 2.900 -4.795 -1.774 1.00 1.57 H new ATOM 0 HG13 VAL A 38 3.873 -4.603 -0.297 1.00 1.57 H new ATOM 0 HG21 VAL A 38 4.956 -7.498 -0.320 1.00 1.27 H new ATOM 0 HG22 VAL A 38 4.338 -6.692 1.142 1.00 1.27 H new ATOM 0 HG23 VAL A 38 3.645 -8.247 0.623 1.00 1.27 H new ATOM 306 N LYS A 39 0.610 -8.392 0.184 1.00 1.43 N ATOM 307 CA LYS A 39 0.089 -9.640 0.722 1.00 1.60 C ATOM 308 C LYS A 39 0.821 -10.818 0.098 1.00 1.60 C ATOM 309 O LYS A 39 0.956 -10.895 -1.126 1.00 1.49 O ATOM 310 CB LYS A 39 -1.417 -9.739 0.455 1.00 1.69 C ATOM 311 CG LYS A 39 -2.074 -10.982 1.035 1.00 2.00 C ATOM 312 CD LYS A 39 -3.585 -10.826 1.099 1.00 2.35 C ATOM 313 CE LYS A 39 -4.286 -12.172 1.212 1.00 2.74 C ATOM 314 NZ LYS A 39 -4.269 -12.926 -0.071 1.00 3.20 N ATOM 0 H LYS A 39 0.424 -8.253 -0.809 1.00 1.43 H new ATOM 0 HA LYS A 39 0.251 -9.661 1.800 1.00 1.60 H new ATOM 0 HB2 LYS A 39 -1.906 -8.857 0.868 1.00 1.69 H new ATOM 0 HB3 LYS A 39 -1.585 -9.722 -0.622 1.00 1.69 H new ATOM 0 HG2 LYS A 39 -1.821 -11.849 0.425 1.00 2.00 H new ATOM 0 HG3 LYS A 39 -1.683 -11.171 2.035 1.00 2.00 H new ATOM 0 HD2 LYS A 39 -3.851 -10.205 1.954 1.00 2.35 H new ATOM 0 HD3 LYS A 39 -3.935 -10.307 0.207 1.00 2.35 H new ATOM 0 HE2 LYS A 39 -3.803 -12.767 1.987 1.00 2.74 H new ATOM 0 HE3 LYS A 39 -5.318 -12.017 1.526 1.00 2.74 H new ATOM 0 HZ1 LYS A 39 -5.029 -13.636 -0.066 1.00 3.20 H new ATOM 0 HZ2 LYS A 39 -4.415 -12.268 -0.863 1.00 3.20 H new ATOM 0 HZ3 LYS A 39 -3.351 -13.402 -0.182 1.00 3.20 H new ATOM 328 N MET A 40 1.305 -11.724 0.941 1.00 1.76 N ATOM 329 CA MET A 40 2.028 -12.898 0.473 1.00 1.82 C ATOM 330 C MET A 40 1.068 -13.877 -0.200 1.00 1.89 C ATOM 331 O MET A 40 0.545 -14.795 0.431 1.00 2.06 O ATOM 332 CB MET A 40 2.752 -13.579 1.640 1.00 2.01 C ATOM 333 CG MET A 40 3.531 -14.821 1.235 1.00 1.99 C ATOM 334 SD MET A 40 4.314 -15.643 2.637 1.00 2.53 S ATOM 335 CE MET A 40 2.884 -16.054 3.635 1.00 3.01 C ATOM 0 H MET A 40 1.209 -11.666 1.955 1.00 1.76 H new ATOM 0 HA MET A 40 2.771 -12.580 -0.258 1.00 1.82 H new ATOM 0 HB2 MET A 40 3.436 -12.865 2.098 1.00 2.01 H new ATOM 0 HB3 MET A 40 2.020 -13.852 2.400 1.00 2.01 H new ATOM 0 HG2 MET A 40 2.858 -15.521 0.739 1.00 1.99 H new ATOM 0 HG3 MET A 40 4.295 -14.544 0.509 1.00 1.99 H new ATOM 0 HE1 MET A 40 3.128 -16.887 4.295 1.00 3.01 H new ATOM 0 HE2 MET A 40 2.597 -15.189 4.233 1.00 3.01 H new ATOM 0 HE3 MET A 40 2.056 -16.336 2.985 1.00 3.01 H new ATOM 345 N THR A 41 0.831 -13.647 -1.481 1.00 1.77 N ATOM 346 CA THR A 41 -0.048 -14.478 -2.294 1.00 1.85 C ATOM 347 C THR A 41 0.194 -14.166 -3.770 1.00 1.77 C ATOM 348 O THR A 41 0.583 -15.033 -4.554 1.00 1.92 O ATOM 349 CB THR A 41 -1.547 -14.243 -1.974 1.00 1.99 C ATOM 350 OG1 THR A 41 -1.794 -14.318 -0.560 1.00 2.21 O ATOM 351 CG2 THR A 41 -2.422 -15.264 -2.687 1.00 2.21 C ATOM 0 H THR A 41 1.247 -12.870 -1.993 1.00 1.77 H new ATOM 0 HA THR A 41 0.183 -15.519 -2.067 1.00 1.85 H new ATOM 0 HB THR A 41 -1.798 -13.243 -2.327 1.00 1.99 H new ATOM 0 HG1 THR A 41 -1.077 -14.828 -0.129 1.00 2.21 H new ATOM 0 HG21 THR A 41 -3.469 -15.078 -2.446 1.00 2.21 H new ATOM 0 HG22 THR A 41 -2.277 -15.179 -3.764 1.00 2.21 H new ATOM 0 HG23 THR A 41 -2.148 -16.268 -2.362 1.00 2.21 H new ATOM 359 N THR A 42 -0.019 -12.908 -4.126 1.00 1.62 N ATOM 360 CA THR A 42 0.163 -12.439 -5.488 1.00 1.60 C ATOM 361 C THR A 42 1.634 -12.164 -5.783 1.00 1.48 C ATOM 362 O THR A 42 2.403 -11.823 -4.880 1.00 1.35 O ATOM 363 CB THR A 42 -0.647 -11.155 -5.726 1.00 1.58 C ATOM 364 OG1 THR A 42 -1.479 -10.899 -4.586 1.00 1.63 O ATOM 365 CG2 THR A 42 -1.512 -11.277 -6.972 1.00 1.75 C ATOM 0 H THR A 42 -0.324 -12.184 -3.476 1.00 1.62 H new ATOM 0 HA THR A 42 -0.191 -13.224 -6.156 1.00 1.60 H new ATOM 0 HB THR A 42 0.049 -10.329 -5.873 1.00 1.58 H new ATOM 0 HG1 THR A 42 -1.995 -10.079 -4.735 1.00 1.63 H new ATOM 0 HG21 THR A 42 -2.074 -10.354 -7.116 1.00 1.75 H new ATOM 0 HG22 THR A 42 -0.877 -11.454 -7.840 1.00 1.75 H new ATOM 0 HG23 THR A 42 -2.205 -12.110 -6.853 1.00 1.75 H new ATOM 373 N HIS A 43 2.022 -12.346 -7.036 1.00 1.61 N ATOM 374 CA HIS A 43 3.395 -12.104 -7.457 1.00 1.65 C ATOM 375 C HIS A 43 3.689 -10.605 -7.476 1.00 1.48 C ATOM 376 O HIS A 43 2.823 -9.787 -7.165 1.00 1.33 O ATOM 377 CB HIS A 43 3.646 -12.708 -8.844 1.00 1.90 C ATOM 378 CG HIS A 43 3.939 -14.177 -8.820 1.00 1.95 C ATOM 379 ND1 HIS A 43 4.983 -14.764 -9.501 1.00 2.43 N ATOM 380 CD2 HIS A 43 3.299 -15.188 -8.179 1.00 2.01 C ATOM 381 CE1 HIS A 43 4.943 -16.080 -9.263 1.00 2.36 C ATOM 382 NE2 HIS A 43 3.943 -16.389 -8.464 1.00 2.09 N ATOM 0 H HIS A 43 1.403 -12.662 -7.783 1.00 1.61 H new ATOM 0 HA HIS A 43 4.063 -12.584 -6.742 1.00 1.65 H new ATOM 0 HB2 HIS A 43 2.772 -12.532 -9.470 1.00 1.90 H new ATOM 0 HB3 HIS A 43 4.483 -12.188 -9.311 1.00 1.90 H new ATOM 0 HD2 HIS A 43 2.429 -15.078 -7.549 1.00 2.01 H new ATOM 0 HE1 HIS A 43 5.640 -16.796 -9.673 1.00 2.36 H new ATOM 0 HE2 HIS A 43 3.692 -17.317 -8.124 1.00 2.09 H new ATOM 390 N LEU A 44 4.904 -10.247 -7.865 1.00 1.56 N ATOM 391 CA LEU A 44 5.309 -8.847 -7.913 1.00 1.47 C ATOM 392 C LEU A 44 4.757 -8.154 -9.153 1.00 1.45 C ATOM 393 O LEU A 44 4.935 -6.948 -9.328 1.00 1.45 O ATOM 394 CB LEU A 44 6.834 -8.736 -7.863 1.00 1.65 C ATOM 395 CG LEU A 44 7.414 -8.565 -6.456 1.00 1.77 C ATOM 396 CD1 LEU A 44 8.784 -9.216 -6.357 1.00 1.89 C ATOM 397 CD2 LEU A 44 7.495 -7.091 -6.088 1.00 1.80 C ATOM 0 H LEU A 44 5.628 -10.906 -8.152 1.00 1.56 H new ATOM 0 HA LEU A 44 4.893 -8.342 -7.041 1.00 1.47 H new ATOM 0 HB2 LEU A 44 7.265 -9.630 -8.314 1.00 1.65 H new ATOM 0 HB3 LEU A 44 7.144 -7.889 -8.475 1.00 1.65 H new ATOM 0 HG LEU A 44 6.749 -9.061 -5.749 1.00 1.77 H new ATOM 0 HD11 LEU A 44 9.178 -9.083 -5.349 1.00 1.89 H new ATOM 0 HD12 LEU A 44 8.698 -10.280 -6.575 1.00 1.89 H new ATOM 0 HD13 LEU A 44 9.460 -8.752 -7.075 1.00 1.89 H new ATOM 0 HD21 LEU A 44 7.909 -6.989 -5.085 1.00 1.80 H new ATOM 0 HD22 LEU A 44 8.137 -6.573 -6.800 1.00 1.80 H new ATOM 0 HD23 LEU A 44 6.497 -6.654 -6.114 1.00 1.80 H new ATOM 409 N LYS A 45 4.079 -8.918 -10.003 1.00 1.48 N ATOM 410 CA LYS A 45 3.483 -8.376 -11.221 1.00 1.52 C ATOM 411 C LYS A 45 2.438 -7.320 -10.871 1.00 1.41 C ATOM 412 O LYS A 45 2.493 -6.186 -11.356 1.00 1.43 O ATOM 413 CB LYS A 45 2.838 -9.501 -12.041 1.00 1.63 C ATOM 414 CG LYS A 45 2.078 -9.019 -13.269 1.00 1.89 C ATOM 415 CD LYS A 45 3.006 -8.810 -14.449 1.00 1.77 C ATOM 416 CE LYS A 45 2.266 -8.246 -15.651 1.00 2.18 C ATOM 417 NZ LYS A 45 3.121 -8.225 -16.868 1.00 2.44 N ATOM 0 H LYS A 45 3.928 -9.918 -9.871 1.00 1.48 H new ATOM 0 HA LYS A 45 4.268 -7.911 -11.817 1.00 1.52 H new ATOM 0 HB2 LYS A 45 3.615 -10.196 -12.358 1.00 1.63 H new ATOM 0 HB3 LYS A 45 2.155 -10.058 -11.400 1.00 1.63 H new ATOM 0 HG2 LYS A 45 1.311 -9.747 -13.532 1.00 1.89 H new ATOM 0 HG3 LYS A 45 1.565 -8.085 -13.038 1.00 1.89 H new ATOM 0 HD2 LYS A 45 3.810 -8.131 -14.165 1.00 1.77 H new ATOM 0 HD3 LYS A 45 3.471 -9.758 -14.719 1.00 1.77 H new ATOM 0 HE2 LYS A 45 1.376 -8.845 -15.843 1.00 2.18 H new ATOM 0 HE3 LYS A 45 1.928 -7.234 -15.427 1.00 2.18 H new ATOM 0 HZ1 LYS A 45 2.560 -7.897 -17.680 1.00 2.44 H new ATOM 0 HZ2 LYS A 45 3.923 -7.580 -16.718 1.00 2.44 H new ATOM 0 HZ3 LYS A 45 3.478 -9.183 -17.058 1.00 2.44 H new ATOM 431 N LYS A 46 1.494 -7.699 -10.011 1.00 1.33 N ATOM 432 CA LYS A 46 0.435 -6.796 -9.582 1.00 1.28 C ATOM 433 C LYS A 46 1.008 -5.637 -8.779 1.00 1.20 C ATOM 434 O LYS A 46 0.541 -4.505 -8.880 1.00 1.20 O ATOM 435 CB LYS A 46 -0.602 -7.544 -8.739 1.00 1.31 C ATOM 436 CG LYS A 46 -1.834 -6.715 -8.405 1.00 1.33 C ATOM 437 CD LYS A 46 -2.794 -6.644 -9.584 1.00 1.76 C ATOM 438 CE LYS A 46 -3.897 -5.621 -9.349 1.00 1.82 C ATOM 439 NZ LYS A 46 -3.538 -4.276 -9.877 1.00 2.08 N ATOM 0 H LYS A 46 1.444 -8.630 -9.598 1.00 1.33 H new ATOM 0 HA LYS A 46 -0.051 -6.401 -10.474 1.00 1.28 H new ATOM 0 HB2 LYS A 46 -0.913 -8.441 -9.274 1.00 1.31 H new ATOM 0 HB3 LYS A 46 -0.134 -7.873 -7.811 1.00 1.31 H new ATOM 0 HG2 LYS A 46 -2.344 -7.149 -7.545 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -1.530 -5.708 -8.121 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -2.243 -6.384 -10.488 1.00 1.76 H new ATOM 0 HD3 LYS A 46 -3.237 -7.625 -9.752 1.00 1.76 H new ATOM 0 HE2 LYS A 46 -4.815 -5.963 -9.826 1.00 1.82 H new ATOM 0 HE3 LYS A 46 -4.101 -5.548 -8.281 1.00 1.82 H new ATOM 0 HZ1 LYS A 46 -4.365 -3.648 -9.818 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 -2.760 -3.878 -9.313 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 -3.238 -4.361 -10.869 1.00 2.08 H new ATOM 453 N LEU A 47 2.032 -5.928 -7.994 1.00 1.18 N ATOM 454 CA LEU A 47 2.675 -4.923 -7.156 1.00 1.15 C ATOM 455 C LEU A 47 3.280 -3.802 -8.000 1.00 1.18 C ATOM 456 O LEU A 47 3.125 -2.622 -7.683 1.00 1.20 O ATOM 457 CB LEU A 47 3.757 -5.574 -6.288 1.00 1.21 C ATOM 458 CG LEU A 47 3.276 -6.173 -4.957 1.00 1.64 C ATOM 459 CD1 LEU A 47 2.184 -7.210 -5.177 1.00 2.54 C ATOM 460 CD2 LEU A 47 4.444 -6.795 -4.209 1.00 2.22 C ATOM 0 H LEU A 47 2.440 -6.860 -7.918 1.00 1.18 H new ATOM 0 HA LEU A 47 1.914 -4.485 -6.510 1.00 1.15 H new ATOM 0 HB2 LEU A 47 4.235 -6.363 -6.868 1.00 1.21 H new ATOM 0 HB3 LEU A 47 4.522 -4.828 -6.074 1.00 1.21 H new ATOM 0 HG LEU A 47 2.856 -5.364 -4.359 1.00 1.64 H new ATOM 0 HD11 LEU A 47 1.867 -7.614 -4.216 1.00 2.54 H new ATOM 0 HD12 LEU A 47 1.333 -6.743 -5.673 1.00 2.54 H new ATOM 0 HD13 LEU A 47 2.569 -8.017 -5.800 1.00 2.54 H new ATOM 0 HD21 LEU A 47 4.091 -7.216 -3.268 1.00 2.22 H new ATOM 0 HD22 LEU A 47 4.886 -7.585 -4.816 1.00 2.22 H new ATOM 0 HD23 LEU A 47 5.194 -6.031 -4.006 1.00 2.22 H new ATOM 472 N LYS A 48 3.941 -4.177 -9.091 1.00 1.25 N ATOM 473 CA LYS A 48 4.582 -3.207 -9.973 1.00 1.37 C ATOM 474 C LYS A 48 3.565 -2.313 -10.686 1.00 1.38 C ATOM 475 O LYS A 48 3.690 -1.088 -10.664 1.00 1.43 O ATOM 476 CB LYS A 48 5.450 -3.925 -11.012 1.00 1.53 C ATOM 477 CG LYS A 48 6.725 -4.526 -10.440 1.00 1.58 C ATOM 478 CD LYS A 48 7.498 -5.310 -11.491 1.00 1.80 C ATOM 479 CE LYS A 48 8.056 -4.398 -12.574 1.00 2.01 C ATOM 480 NZ LYS A 48 8.823 -5.154 -13.597 1.00 2.26 N ATOM 0 H LYS A 48 4.047 -5.148 -9.386 1.00 1.25 H new ATOM 0 HA LYS A 48 5.206 -2.570 -9.347 1.00 1.37 H new ATOM 0 HB2 LYS A 48 4.863 -4.717 -11.476 1.00 1.53 H new ATOM 0 HB3 LYS A 48 5.714 -3.220 -11.800 1.00 1.53 H new ATOM 0 HG2 LYS A 48 7.356 -3.731 -10.042 1.00 1.58 H new ATOM 0 HG3 LYS A 48 6.476 -5.183 -9.606 1.00 1.58 H new ATOM 0 HD2 LYS A 48 8.315 -5.851 -11.014 1.00 1.80 H new ATOM 0 HD3 LYS A 48 6.844 -6.055 -11.944 1.00 1.80 H new ATOM 0 HE2 LYS A 48 7.237 -3.864 -13.056 1.00 2.01 H new ATOM 0 HE3 LYS A 48 8.701 -3.647 -12.119 1.00 2.01 H new ATOM 0 HZ1 LYS A 48 8.997 -4.544 -14.422 1.00 2.26 H new ATOM 0 HZ2 LYS A 48 9.732 -5.459 -13.194 1.00 2.26 H new ATOM 0 HZ3 LYS A 48 8.278 -5.989 -13.893 1.00 2.26 H new ATOM 494 N GLU A 49 2.559 -2.923 -11.304 1.00 1.39 N ATOM 495 CA GLU A 49 1.551 -2.167 -12.050 1.00 1.46 C ATOM 496 C GLU A 49 0.721 -1.248 -11.154 1.00 1.40 C ATOM 497 O GLU A 49 0.475 -0.093 -11.504 1.00 1.51 O ATOM 498 CB GLU A 49 0.630 -3.108 -12.828 1.00 1.52 C ATOM 499 CG GLU A 49 -0.015 -4.178 -11.968 1.00 1.45 C ATOM 500 CD GLU A 49 -1.170 -4.862 -12.657 1.00 1.63 C ATOM 501 OE1 GLU A 49 -0.927 -5.622 -13.620 1.00 1.88 O ATOM 502 OE2 GLU A 49 -2.324 -4.638 -12.250 1.00 1.70 O ATOM 0 H GLU A 49 2.417 -3.933 -11.305 1.00 1.39 H new ATOM 0 HA GLU A 49 2.096 -1.534 -12.750 1.00 1.46 H new ATOM 0 HB2 GLU A 49 -0.152 -2.521 -13.309 1.00 1.52 H new ATOM 0 HB3 GLU A 49 1.202 -3.588 -13.622 1.00 1.52 H new ATOM 0 HG2 GLU A 49 0.734 -4.922 -11.699 1.00 1.45 H new ATOM 0 HG3 GLU A 49 -0.366 -3.729 -11.039 1.00 1.45 H new ATOM 509 N SER A 50 0.301 -1.750 -9.999 1.00 1.30 N ATOM 510 CA SER A 50 -0.514 -0.958 -9.081 1.00 1.32 C ATOM 511 C SER A 50 0.259 0.241 -8.546 1.00 1.33 C ATOM 512 O SER A 50 -0.320 1.302 -8.298 1.00 1.46 O ATOM 513 CB SER A 50 -1.012 -1.831 -7.932 1.00 1.26 C ATOM 514 OG SER A 50 -1.534 -3.059 -8.415 1.00 1.37 O ATOM 0 H SER A 50 0.508 -2.695 -9.676 1.00 1.30 H new ATOM 0 HA SER A 50 -1.373 -0.578 -9.634 1.00 1.32 H new ATOM 0 HB2 SER A 50 -0.194 -2.027 -7.239 1.00 1.26 H new ATOM 0 HB3 SER A 50 -1.782 -1.299 -7.374 1.00 1.26 H new ATOM 0 HG SER A 50 -0.800 -3.693 -8.559 1.00 1.37 H new ATOM 520 N TYR A 51 1.566 0.081 -8.374 1.00 1.26 N ATOM 521 CA TYR A 51 2.394 1.168 -7.880 1.00 1.33 C ATOM 522 C TYR A 51 2.483 2.272 -8.930 1.00 1.50 C ATOM 523 O TYR A 51 2.375 3.458 -8.613 1.00 1.62 O ATOM 524 CB TYR A 51 3.795 0.670 -7.520 1.00 1.28 C ATOM 525 CG TYR A 51 4.581 1.649 -6.673 1.00 1.35 C ATOM 526 CD1 TYR A 51 4.483 1.629 -5.290 1.00 1.35 C ATOM 527 CD2 TYR A 51 5.417 2.592 -7.256 1.00 1.54 C ATOM 528 CE1 TYR A 51 5.193 2.521 -4.510 1.00 1.46 C ATOM 529 CE2 TYR A 51 6.132 3.487 -6.484 1.00 1.64 C ATOM 530 CZ TYR A 51 6.017 3.449 -5.114 1.00 1.56 C ATOM 531 OH TYR A 51 6.728 4.340 -4.341 1.00 1.69 O ATOM 0 H TYR A 51 2.069 -0.785 -8.568 1.00 1.26 H new ATOM 0 HA TYR A 51 1.933 1.567 -6.976 1.00 1.33 H new ATOM 0 HB2 TYR A 51 3.710 -0.276 -6.985 1.00 1.28 H new ATOM 0 HB3 TYR A 51 4.348 0.469 -8.437 1.00 1.28 H new ATOM 0 HD1 TYR A 51 3.840 0.903 -4.814 1.00 1.35 H new ATOM 0 HD2 TYR A 51 5.510 2.626 -8.331 1.00 1.54 H new ATOM 0 HE1 TYR A 51 5.104 2.492 -3.434 1.00 1.46 H new ATOM 0 HE2 TYR A 51 6.778 4.213 -6.954 1.00 1.64 H new ATOM 0 HH TYR A 51 7.260 4.924 -4.921 1.00 1.69 H new ATOM 541 N CYS A 52 2.654 1.868 -10.186 1.00 1.55 N ATOM 542 CA CYS A 52 2.754 2.814 -11.293 1.00 1.74 C ATOM 543 C CYS A 52 1.468 3.619 -11.435 1.00 1.84 C ATOM 544 O CYS A 52 1.498 4.806 -11.772 1.00 1.99 O ATOM 545 CB CYS A 52 3.053 2.071 -12.599 1.00 1.82 C ATOM 546 SG CYS A 52 4.533 1.032 -12.535 1.00 1.82 S ATOM 0 H CYS A 52 2.726 0.889 -10.463 1.00 1.55 H new ATOM 0 HA CYS A 52 3.571 3.503 -11.080 1.00 1.74 H new ATOM 0 HB2 CYS A 52 2.196 1.448 -12.855 1.00 1.82 H new ATOM 0 HB3 CYS A 52 3.168 2.800 -13.401 1.00 1.82 H new ATOM 0 HG CYS A 52 4.454 0.227 -11.517 1.00 1.82 H new ATOM 552 N GLN A 53 0.339 2.973 -11.165 1.00 1.79 N ATOM 553 CA GLN A 53 -0.959 3.627 -11.250 1.00 1.94 C ATOM 554 C GLN A 53 -1.072 4.725 -10.199 1.00 1.99 C ATOM 555 O GLN A 53 -1.664 5.777 -10.442 1.00 2.17 O ATOM 556 CB GLN A 53 -2.085 2.610 -11.061 1.00 1.91 C ATOM 557 CG GLN A 53 -2.238 1.640 -12.220 1.00 1.94 C ATOM 558 CD GLN A 53 -3.298 0.585 -11.960 1.00 1.90 C ATOM 559 OE1 GLN A 53 -3.525 0.180 -10.820 1.00 1.86 O ATOM 560 NE2 GLN A 53 -3.957 0.135 -13.015 1.00 2.00 N ATOM 0 H GLN A 53 0.298 1.993 -10.884 1.00 1.79 H new ATOM 0 HA GLN A 53 -1.051 4.074 -12.240 1.00 1.94 H new ATOM 0 HB2 GLN A 53 -1.901 2.044 -10.148 1.00 1.91 H new ATOM 0 HB3 GLN A 53 -3.025 3.144 -10.921 1.00 1.91 H new ATOM 0 HG2 GLN A 53 -2.496 2.195 -13.122 1.00 1.94 H new ATOM 0 HG3 GLN A 53 -1.282 1.151 -12.409 1.00 1.94 H new ATOM 0 HE21 GLN A 53 -3.740 0.496 -13.944 1.00 2.00 H new ATOM 0 HE22 GLN A 53 -4.682 -0.573 -12.899 1.00 2.00 H new ATOM 569 N ARG A 54 -0.485 4.482 -9.033 1.00 1.86 N ATOM 570 CA ARG A 54 -0.529 5.459 -7.954 1.00 1.94 C ATOM 571 C ARG A 54 0.368 6.650 -8.267 1.00 2.02 C ATOM 572 O ARG A 54 0.057 7.784 -7.912 1.00 2.17 O ATOM 573 CB ARG A 54 -0.107 4.831 -6.625 1.00 1.82 C ATOM 574 CG ARG A 54 -0.256 5.780 -5.445 1.00 2.10 C ATOM 575 CD ARG A 54 0.570 5.344 -4.246 1.00 1.80 C ATOM 576 NE ARG A 54 1.338 6.456 -3.689 1.00 1.77 N ATOM 577 CZ ARG A 54 1.121 6.993 -2.485 1.00 1.81 C ATOM 578 NH1 ARG A 54 0.172 6.507 -1.690 1.00 1.85 N ATOM 579 NH2 ARG A 54 1.857 8.019 -2.076 1.00 1.89 N ATOM 0 H ARG A 54 0.022 3.625 -8.812 1.00 1.86 H new ATOM 0 HA ARG A 54 -1.559 5.804 -7.865 1.00 1.94 H new ATOM 0 HB2 ARG A 54 -0.707 3.939 -6.445 1.00 1.82 H new ATOM 0 HB3 ARG A 54 0.932 4.508 -6.696 1.00 1.82 H new ATOM 0 HG2 ARG A 54 0.047 6.782 -5.747 1.00 2.10 H new ATOM 0 HG3 ARG A 54 -1.306 5.838 -5.158 1.00 2.10 H new ATOM 0 HD2 ARG A 54 -0.088 4.935 -3.479 1.00 1.80 H new ATOM 0 HD3 ARG A 54 1.249 4.544 -4.542 1.00 1.80 H new ATOM 0 HE ARG A 54 2.089 6.848 -4.257 1.00 1.77 H new ATOM 0 HH11 ARG A 54 -0.397 5.718 -1.998 1.00 1.85 H new ATOM 0 HH12 ARG A 54 0.013 6.923 -0.772 1.00 1.85 H new ATOM 0 HH21 ARG A 54 2.587 8.396 -2.681 1.00 1.89 H new ATOM 0 HH22 ARG A 54 1.693 8.430 -1.157 1.00 1.89 H new ATOM 593 N GLN A 55 1.480 6.390 -8.937 1.00 1.96 N ATOM 594 CA GLN A 55 2.411 7.453 -9.285 1.00 2.07 C ATOM 595 C GLN A 55 1.937 8.191 -10.536 1.00 2.27 C ATOM 596 O GLN A 55 2.430 9.272 -10.856 1.00 2.41 O ATOM 597 CB GLN A 55 3.819 6.890 -9.493 1.00 2.01 C ATOM 598 CG GLN A 55 4.329 6.045 -8.331 1.00 1.84 C ATOM 599 CD GLN A 55 4.065 6.670 -6.971 1.00 1.98 C ATOM 600 OE1 GLN A 55 3.053 6.393 -6.331 1.00 1.96 O ATOM 601 NE2 GLN A 55 4.973 7.520 -6.521 1.00 2.24 N ATOM 0 H GLN A 55 1.759 5.460 -9.249 1.00 1.96 H new ATOM 0 HA GLN A 55 2.446 8.163 -8.459 1.00 2.07 H new ATOM 0 HB2 GLN A 55 3.826 6.285 -10.399 1.00 2.01 H new ATOM 0 HB3 GLN A 55 4.509 7.718 -9.657 1.00 2.01 H new ATOM 0 HG2 GLN A 55 3.856 5.064 -8.370 1.00 1.84 H new ATOM 0 HG3 GLN A 55 5.401 5.887 -8.449 1.00 1.84 H new ATOM 0 HE21 GLN A 55 5.801 7.725 -7.080 1.00 2.24 H new ATOM 0 HE22 GLN A 55 4.845 7.970 -5.615 1.00 2.24 H new ATOM 610 N GLY A 56 0.974 7.598 -11.233 1.00 2.29 N ATOM 611 CA GLY A 56 0.429 8.209 -12.431 1.00 2.49 C ATOM 612 C GLY A 56 1.375 8.121 -13.613 1.00 2.55 C ATOM 613 O GLY A 56 1.496 9.068 -14.388 1.00 2.74 O ATOM 0 H GLY A 56 0.559 6.699 -10.987 1.00 2.29 H new ATOM 0 HA2 GLY A 56 -0.512 7.722 -12.687 1.00 2.49 H new ATOM 0 HA3 GLY A 56 0.202 9.256 -12.229 1.00 2.49 H new ATOM 617 N VAL A 57 2.044 6.982 -13.749 1.00 2.42 N ATOM 618 CA VAL A 57 2.983 6.763 -14.844 1.00 2.52 C ATOM 619 C VAL A 57 2.812 5.360 -15.419 1.00 2.44 C ATOM 620 O VAL A 57 2.310 4.465 -14.734 1.00 2.26 O ATOM 621 CB VAL A 57 4.448 6.949 -14.388 1.00 2.52 C ATOM 622 CG1 VAL A 57 4.785 8.423 -14.224 1.00 2.66 C ATOM 623 CG2 VAL A 57 4.703 6.196 -13.094 1.00 2.31 C ATOM 0 H VAL A 57 1.953 6.191 -13.111 1.00 2.42 H new ATOM 0 HA VAL A 57 2.763 7.506 -15.610 1.00 2.52 H new ATOM 0 HB VAL A 57 5.097 6.538 -15.161 1.00 2.52 H new ATOM 0 HG11 VAL A 57 5.821 8.526 -13.903 1.00 2.66 H new ATOM 0 HG12 VAL A 57 4.648 8.936 -15.176 1.00 2.66 H new ATOM 0 HG13 VAL A 57 4.128 8.865 -13.476 1.00 2.66 H new ATOM 0 HG21 VAL A 57 5.740 6.339 -12.788 1.00 2.31 H new ATOM 0 HG22 VAL A 57 4.040 6.574 -12.316 1.00 2.31 H new ATOM 0 HG23 VAL A 57 4.513 5.134 -13.248 1.00 2.31 H new ATOM 633 N PRO A 58 3.205 5.148 -16.685 1.00 2.60 N ATOM 634 CA PRO A 58 3.093 3.839 -17.341 1.00 2.59 C ATOM 635 C PRO A 58 3.968 2.774 -16.682 1.00 2.43 C ATOM 636 O PRO A 58 5.063 3.062 -16.194 1.00 2.41 O ATOM 637 CB PRO A 58 3.566 4.106 -18.773 1.00 2.86 C ATOM 638 CG PRO A 58 4.389 5.345 -18.680 1.00 2.93 C ATOM 639 CD PRO A 58 3.773 6.167 -17.586 1.00 2.84 C ATOM 0 HA PRO A 58 2.077 3.448 -17.281 1.00 2.59 H new ATOM 0 HB2 PRO A 58 4.151 3.271 -19.158 1.00 2.86 H new ATOM 0 HB3 PRO A 58 2.722 4.242 -19.449 1.00 2.86 H new ATOM 0 HG2 PRO A 58 5.428 5.107 -18.452 1.00 2.93 H new ATOM 0 HG3 PRO A 58 4.386 5.888 -19.625 1.00 2.93 H new ATOM 0 HD2 PRO A 58 4.514 6.785 -17.080 1.00 2.84 H new ATOM 0 HD3 PRO A 58 3.006 6.839 -17.970 1.00 2.84 H new ATOM 647 N MET A 59 3.485 1.536 -16.696 1.00 2.35 N ATOM 648 CA MET A 59 4.206 0.414 -16.099 1.00 2.23 C ATOM 649 C MET A 59 5.333 -0.071 -17.020 1.00 2.37 C ATOM 650 O MET A 59 5.396 -1.243 -17.387 1.00 2.52 O ATOM 651 CB MET A 59 3.230 -0.733 -15.801 1.00 2.17 C ATOM 652 CG MET A 59 3.849 -1.887 -15.028 1.00 2.10 C ATOM 653 SD MET A 59 3.051 -3.464 -15.391 1.00 1.99 S ATOM 654 CE MET A 59 4.157 -4.594 -14.552 1.00 1.73 C ATOM 0 H MET A 59 2.591 1.282 -17.117 1.00 2.35 H new ATOM 0 HA MET A 59 4.658 0.752 -15.166 1.00 2.23 H new ATOM 0 HB2 MET A 59 2.386 -0.340 -15.234 1.00 2.17 H new ATOM 0 HB3 MET A 59 2.832 -1.112 -16.743 1.00 2.17 H new ATOM 0 HG2 MET A 59 4.910 -1.955 -15.270 1.00 2.10 H new ATOM 0 HG3 MET A 59 3.778 -1.684 -13.959 1.00 2.10 H new ATOM 0 HE1 MET A 59 3.582 -5.414 -14.121 1.00 1.73 H new ATOM 0 HE2 MET A 59 4.879 -4.993 -15.265 1.00 1.73 H new ATOM 0 HE3 MET A 59 4.685 -4.065 -13.759 1.00 1.73 H new ATOM 664 N ASN A 60 6.214 0.845 -17.396 1.00 2.55 N ATOM 665 CA ASN A 60 7.341 0.515 -18.264 1.00 2.74 C ATOM 666 C ASN A 60 8.473 1.517 -18.099 1.00 2.80 C ATOM 667 O ASN A 60 9.602 1.261 -18.515 1.00 2.93 O ATOM 668 CB ASN A 60 6.915 0.472 -19.738 1.00 3.07 C ATOM 669 CG ASN A 60 6.562 -0.926 -20.210 1.00 3.37 C ATOM 670 OD1 ASN A 60 5.386 -1.272 -20.337 1.00 3.65 O ATOM 671 ND2 ASN A 60 7.573 -1.741 -20.470 1.00 3.50 N ATOM 0 H ASN A 60 6.172 1.824 -17.114 1.00 2.55 H new ATOM 0 HA ASN A 60 7.693 -0.473 -17.967 1.00 2.74 H new ATOM 0 HB2 ASN A 60 6.055 1.126 -19.882 1.00 3.07 H new ATOM 0 HB3 ASN A 60 7.722 0.866 -20.356 1.00 3.07 H new ATOM 0 HD21 ASN A 60 7.392 -2.693 -20.788 1.00 3.50 H new ATOM 0 HD22 ASN A 60 8.533 -1.417 -20.352 1.00 3.50 H new ATOM 678 N SER A 61 8.175 2.664 -17.499 1.00 2.74 N ATOM 679 CA SER A 61 9.183 3.693 -17.302 1.00 2.82 C ATOM 680 C SER A 61 9.789 3.613 -15.905 1.00 2.72 C ATOM 681 O SER A 61 10.767 4.293 -15.610 1.00 2.87 O ATOM 682 CB SER A 61 8.569 5.070 -17.533 1.00 2.82 C ATOM 683 OG SER A 61 7.249 5.125 -17.020 1.00 2.71 O ATOM 0 H SER A 61 7.249 2.902 -17.143 1.00 2.74 H new ATOM 0 HA SER A 61 9.984 3.530 -18.023 1.00 2.82 H new ATOM 0 HB2 SER A 61 9.183 5.832 -17.053 1.00 2.82 H new ATOM 0 HB3 SER A 61 8.559 5.294 -18.600 1.00 2.82 H new ATOM 0 HG SER A 61 6.932 6.052 -17.031 1.00 2.71 H new ATOM 689 N LEU A 62 9.214 2.781 -15.050 1.00 2.52 N ATOM 690 CA LEU A 62 9.713 2.630 -13.692 1.00 2.44 C ATOM 691 C LEU A 62 10.242 1.222 -13.469 1.00 2.42 C ATOM 692 O LEU A 62 9.548 0.237 -13.727 1.00 2.36 O ATOM 693 CB LEU A 62 8.619 2.937 -12.666 1.00 2.21 C ATOM 694 CG LEU A 62 8.237 4.416 -12.524 1.00 2.26 C ATOM 695 CD1 LEU A 62 7.303 4.602 -11.341 1.00 2.10 C ATOM 696 CD2 LEU A 62 9.479 5.283 -12.362 1.00 2.43 C ATOM 0 H LEU A 62 8.404 2.202 -15.271 1.00 2.52 H new ATOM 0 HA LEU A 62 10.527 3.343 -13.558 1.00 2.44 H new ATOM 0 HB2 LEU A 62 7.725 2.374 -12.936 1.00 2.21 H new ATOM 0 HB3 LEU A 62 8.946 2.570 -11.693 1.00 2.21 H new ATOM 0 HG LEU A 62 7.722 4.728 -13.433 1.00 2.26 H new ATOM 0 HD11 LEU A 62 7.038 5.655 -11.249 1.00 2.10 H new ATOM 0 HD12 LEU A 62 6.399 4.012 -11.495 1.00 2.10 H new ATOM 0 HD13 LEU A 62 7.801 4.272 -10.429 1.00 2.10 H new ATOM 0 HD21 LEU A 62 9.183 6.327 -12.263 1.00 2.43 H new ATOM 0 HD22 LEU A 62 10.024 4.974 -11.470 1.00 2.43 H new ATOM 0 HD23 LEU A 62 10.119 5.168 -13.237 1.00 2.43 H new ATOM 708 N ARG A 63 11.477 1.133 -13.000 1.00 2.50 N ATOM 709 CA ARG A 63 12.095 -0.152 -12.725 1.00 2.52 C ATOM 710 C ARG A 63 12.364 -0.292 -11.235 1.00 2.38 C ATOM 711 O ARG A 63 12.944 0.598 -10.607 1.00 2.41 O ATOM 712 CB ARG A 63 13.389 -0.343 -13.531 1.00 2.78 C ATOM 713 CG ARG A 63 14.491 0.668 -13.240 1.00 2.88 C ATOM 714 CD ARG A 63 15.787 0.271 -13.933 1.00 3.08 C ATOM 715 NE ARG A 63 16.855 1.255 -13.754 1.00 3.22 N ATOM 716 CZ ARG A 63 17.455 1.898 -14.758 1.00 3.35 C ATOM 717 NH1 ARG A 63 17.030 1.745 -16.007 1.00 3.39 N ATOM 718 NH2 ARG A 63 18.467 2.718 -14.514 1.00 3.47 N ATOM 0 H ARG A 63 12.071 1.938 -12.802 1.00 2.50 H new ATOM 0 HA ARG A 63 11.401 -0.933 -13.036 1.00 2.52 H new ATOM 0 HB2 ARG A 63 13.775 -1.343 -13.336 1.00 2.78 H new ATOM 0 HB3 ARG A 63 13.147 -0.297 -14.593 1.00 2.78 H new ATOM 0 HG2 ARG A 63 14.181 1.657 -13.577 1.00 2.88 H new ATOM 0 HG3 ARG A 63 14.654 0.735 -12.164 1.00 2.88 H new ATOM 0 HD2 ARG A 63 16.119 -0.692 -13.546 1.00 3.08 H new ATOM 0 HD3 ARG A 63 15.597 0.138 -14.998 1.00 3.08 H new ATOM 0 HE ARG A 63 17.160 1.462 -12.803 1.00 3.22 H new ATOM 0 HH11 ARG A 63 16.239 1.132 -16.205 1.00 3.39 H new ATOM 0 HH12 ARG A 63 17.495 2.240 -16.768 1.00 3.39 H new ATOM 0 HH21 ARG A 63 18.790 2.859 -13.557 1.00 3.47 H new ATOM 0 HH22 ARG A 63 18.923 3.208 -15.283 1.00 3.47 H new ATOM 732 N PHE A 64 11.915 -1.398 -10.672 1.00 2.24 N ATOM 733 CA PHE A 64 12.100 -1.667 -9.256 1.00 2.11 C ATOM 734 C PHE A 64 13.327 -2.541 -9.058 1.00 2.29 C ATOM 735 O PHE A 64 13.504 -3.538 -9.760 1.00 2.40 O ATOM 736 CB PHE A 64 10.854 -2.344 -8.676 1.00 1.87 C ATOM 737 CG PHE A 64 9.625 -1.481 -8.729 1.00 1.69 C ATOM 738 CD1 PHE A 64 8.843 -1.429 -9.874 1.00 1.73 C ATOM 739 CD2 PHE A 64 9.249 -0.721 -7.632 1.00 1.54 C ATOM 740 CE1 PHE A 64 7.713 -0.637 -9.922 1.00 1.64 C ATOM 741 CE2 PHE A 64 8.120 0.071 -7.677 1.00 1.43 C ATOM 742 CZ PHE A 64 7.352 0.113 -8.822 1.00 1.49 C ATOM 0 H PHE A 64 11.416 -2.130 -11.177 1.00 2.24 H new ATOM 0 HA PHE A 64 12.251 -0.725 -8.729 1.00 2.11 H new ATOM 0 HB2 PHE A 64 10.664 -3.268 -9.223 1.00 1.87 H new ATOM 0 HB3 PHE A 64 11.049 -2.621 -7.640 1.00 1.87 H new ATOM 0 HD1 PHE A 64 9.121 -2.015 -10.738 1.00 1.73 H new ATOM 0 HD2 PHE A 64 9.846 -0.749 -6.733 1.00 1.54 H new ATOM 0 HE1 PHE A 64 7.113 -0.605 -10.819 1.00 1.64 H new ATOM 0 HE2 PHE A 64 7.838 0.658 -6.816 1.00 1.43 H new ATOM 0 HZ PHE A 64 6.468 0.733 -8.857 1.00 1.49 H new ATOM 752 N LEU A 65 14.177 -2.165 -8.117 1.00 2.35 N ATOM 753 CA LEU A 65 15.398 -2.907 -7.848 1.00 2.54 C ATOM 754 C LEU A 65 15.411 -3.456 -6.426 1.00 2.45 C ATOM 755 O LEU A 65 14.940 -2.806 -5.489 1.00 2.29 O ATOM 756 CB LEU A 65 16.624 -2.017 -8.071 1.00 2.77 C ATOM 757 CG LEU A 65 16.681 -1.292 -9.421 1.00 2.97 C ATOM 758 CD1 LEU A 65 17.946 -0.462 -9.522 1.00 3.16 C ATOM 759 CD2 LEU A 65 16.613 -2.282 -10.573 1.00 3.20 C ATOM 0 H LEU A 65 14.043 -1.346 -7.524 1.00 2.35 H new ATOM 0 HA LEU A 65 15.433 -3.748 -8.540 1.00 2.54 H new ATOM 0 HB2 LEU A 65 16.658 -1.271 -7.277 1.00 2.77 H new ATOM 0 HB3 LEU A 65 17.519 -2.631 -7.971 1.00 2.77 H new ATOM 0 HG LEU A 65 15.817 -0.630 -9.485 1.00 2.97 H new ATOM 0 HD11 LEU A 65 17.972 0.046 -10.486 1.00 3.16 H new ATOM 0 HD12 LEU A 65 17.961 0.277 -8.721 1.00 3.16 H new ATOM 0 HD13 LEU A 65 18.816 -1.112 -9.432 1.00 3.16 H new ATOM 0 HD21 LEU A 65 16.655 -1.743 -11.519 1.00 3.20 H new ATOM 0 HD22 LEU A 65 17.455 -2.971 -10.510 1.00 3.20 H new ATOM 0 HD23 LEU A 65 15.680 -2.843 -10.516 1.00 3.20 H new ATOM 771 N PHE A 66 15.949 -4.655 -6.289 1.00 2.57 N ATOM 772 CA PHE A 66 16.062 -5.330 -5.008 1.00 2.54 C ATOM 773 C PHE A 66 17.453 -5.938 -4.888 1.00 2.84 C ATOM 774 O PHE A 66 17.771 -6.914 -5.573 1.00 2.97 O ATOM 775 CB PHE A 66 14.984 -6.416 -4.892 1.00 2.37 C ATOM 776 CG PHE A 66 15.087 -7.272 -3.657 1.00 2.35 C ATOM 777 CD1 PHE A 66 14.563 -6.838 -2.451 1.00 2.20 C ATOM 778 CD2 PHE A 66 15.700 -8.515 -3.707 1.00 2.54 C ATOM 779 CE1 PHE A 66 14.650 -7.624 -1.318 1.00 2.24 C ATOM 780 CE2 PHE A 66 15.790 -9.305 -2.578 1.00 2.56 C ATOM 781 CZ PHE A 66 15.264 -8.861 -1.383 1.00 2.42 C ATOM 0 H PHE A 66 16.323 -5.192 -7.071 1.00 2.57 H new ATOM 0 HA PHE A 66 15.914 -4.615 -4.198 1.00 2.54 H new ATOM 0 HB2 PHE A 66 14.004 -5.940 -4.907 1.00 2.37 H new ATOM 0 HB3 PHE A 66 15.039 -7.060 -5.770 1.00 2.37 H new ATOM 0 HD1 PHE A 66 14.080 -5.873 -2.395 1.00 2.20 H new ATOM 0 HD2 PHE A 66 16.112 -8.869 -4.640 1.00 2.54 H new ATOM 0 HE1 PHE A 66 14.239 -7.273 -0.383 1.00 2.24 H new ATOM 0 HE2 PHE A 66 16.272 -10.270 -2.631 1.00 2.56 H new ATOM 0 HZ PHE A 66 15.332 -9.478 -0.500 1.00 2.42 H new ATOM 791 N GLU A 67 18.289 -5.332 -4.050 1.00 2.95 N ATOM 792 CA GLU A 67 19.660 -5.801 -3.830 1.00 3.25 C ATOM 793 C GLU A 67 20.472 -5.758 -5.123 1.00 3.44 C ATOM 794 O GLU A 67 21.333 -6.604 -5.360 1.00 3.64 O ATOM 795 CB GLU A 67 19.669 -7.219 -3.253 1.00 3.32 C ATOM 796 CG GLU A 67 19.152 -7.307 -1.826 1.00 3.20 C ATOM 797 CD GLU A 67 19.712 -8.503 -1.082 1.00 3.33 C ATOM 798 OE1 GLU A 67 20.147 -9.473 -1.740 1.00 3.33 O ATOM 799 OE2 GLU A 67 19.733 -8.479 0.165 1.00 3.62 O ATOM 0 H GLU A 67 18.040 -4.506 -3.505 1.00 2.95 H new ATOM 0 HA GLU A 67 20.123 -5.128 -3.109 1.00 3.25 H new ATOM 0 HB2 GLU A 67 19.062 -7.863 -3.889 1.00 3.32 H new ATOM 0 HB3 GLU A 67 20.687 -7.607 -3.285 1.00 3.32 H new ATOM 0 HG2 GLU A 67 19.414 -6.394 -1.291 1.00 3.20 H new ATOM 0 HG3 GLU A 67 18.064 -7.368 -1.840 1.00 3.20 H new ATOM 806 N GLY A 68 20.187 -4.770 -5.959 1.00 3.41 N ATOM 807 CA GLY A 68 20.897 -4.626 -7.216 1.00 3.61 C ATOM 808 C GLY A 68 20.225 -5.364 -8.357 1.00 3.59 C ATOM 809 O GLY A 68 20.468 -5.064 -9.527 1.00 3.75 O ATOM 0 H GLY A 68 19.473 -4.062 -5.789 1.00 3.41 H new ATOM 0 HA2 GLY A 68 20.971 -3.568 -7.467 1.00 3.61 H new ATOM 0 HA3 GLY A 68 21.915 -4.998 -7.098 1.00 3.61 H new ATOM 813 N GLN A 69 19.379 -6.327 -8.023 1.00 3.41 N ATOM 814 CA GLN A 69 18.673 -7.106 -9.032 1.00 3.39 C ATOM 815 C GLN A 69 17.349 -6.438 -9.379 1.00 3.13 C ATOM 816 O GLN A 69 16.611 -6.021 -8.489 1.00 2.88 O ATOM 817 CB GLN A 69 18.409 -8.525 -8.522 1.00 3.42 C ATOM 818 CG GLN A 69 19.614 -9.184 -7.873 1.00 3.76 C ATOM 819 CD GLN A 69 20.693 -9.553 -8.870 1.00 4.25 C ATOM 820 OE1 GLN A 69 20.408 -9.873 -10.023 1.00 4.42 O ATOM 821 NE2 GLN A 69 21.940 -9.513 -8.432 1.00 4.67 N ATOM 0 H GLN A 69 19.164 -6.589 -7.061 1.00 3.41 H new ATOM 0 HA GLN A 69 19.297 -7.158 -9.925 1.00 3.39 H new ATOM 0 HB2 GLN A 69 17.592 -8.494 -7.801 1.00 3.42 H new ATOM 0 HB3 GLN A 69 18.075 -9.143 -9.355 1.00 3.42 H new ATOM 0 HG2 GLN A 69 20.032 -8.509 -7.126 1.00 3.76 H new ATOM 0 HG3 GLN A 69 19.291 -10.082 -7.346 1.00 3.76 H new ATOM 0 HE21 GLN A 69 22.133 -9.242 -7.468 1.00 4.67 H new ATOM 0 HE22 GLN A 69 22.708 -9.753 -9.058 1.00 4.67 H new ATOM 830 N ARG A 70 17.045 -6.323 -10.663 1.00 3.20 N ATOM 831 CA ARG A 70 15.794 -5.702 -11.068 1.00 2.98 C ATOM 832 C ARG A 70 14.638 -6.675 -10.887 1.00 2.82 C ATOM 833 O ARG A 70 14.758 -7.869 -11.170 1.00 2.96 O ATOM 834 CB ARG A 70 15.857 -5.180 -12.510 1.00 3.12 C ATOM 835 CG ARG A 70 15.954 -6.258 -13.578 1.00 3.34 C ATOM 836 CD ARG A 70 15.964 -5.647 -14.973 1.00 3.51 C ATOM 837 NE ARG A 70 14.665 -5.075 -15.340 1.00 3.29 N ATOM 838 CZ ARG A 70 14.461 -3.786 -15.643 1.00 3.31 C ATOM 839 NH1 ARG A 70 15.452 -2.908 -15.557 1.00 3.55 N ATOM 840 NH2 ARG A 70 13.256 -3.373 -16.016 1.00 3.17 N ATOM 0 H ARG A 70 17.635 -6.645 -11.430 1.00 3.20 H new ATOM 0 HA ARG A 70 15.626 -4.839 -10.424 1.00 2.98 H new ATOM 0 HB2 ARG A 70 14.969 -4.578 -12.702 1.00 3.12 H new ATOM 0 HB3 ARG A 70 16.718 -4.518 -12.604 1.00 3.12 H new ATOM 0 HG2 ARG A 70 16.861 -6.843 -13.427 1.00 3.34 H new ATOM 0 HG3 ARG A 70 15.112 -6.944 -13.484 1.00 3.34 H new ATOM 0 HD2 ARG A 70 16.727 -4.870 -15.021 1.00 3.51 H new ATOM 0 HD3 ARG A 70 16.240 -6.411 -15.700 1.00 3.51 H new ATOM 0 HE ARG A 70 13.861 -5.702 -15.366 1.00 3.29 H new ATOM 0 HH11 ARG A 70 16.379 -3.212 -15.258 1.00 3.55 H new ATOM 0 HH12 ARG A 70 15.287 -1.929 -15.790 1.00 3.55 H new ATOM 0 HH21 ARG A 70 12.484 -4.037 -16.072 1.00 3.17 H new ATOM 0 HH22 ARG A 70 13.102 -2.391 -16.246 1.00 3.17 H new ATOM 854 N ILE A 71 13.531 -6.160 -10.386 1.00 2.55 N ATOM 855 CA ILE A 71 12.352 -6.967 -10.139 1.00 2.38 C ATOM 856 C ILE A 71 11.574 -7.215 -11.423 1.00 2.44 C ATOM 857 O ILE A 71 10.990 -6.294 -12.002 1.00 2.40 O ATOM 858 CB ILE A 71 11.424 -6.307 -9.097 1.00 2.07 C ATOM 859 CG1 ILE A 71 12.126 -6.209 -7.738 1.00 2.04 C ATOM 860 CG2 ILE A 71 10.121 -7.086 -8.966 1.00 1.92 C ATOM 861 CD1 ILE A 71 12.514 -7.552 -7.152 1.00 2.17 C ATOM 0 H ILE A 71 13.424 -5.176 -10.140 1.00 2.55 H new ATOM 0 HA ILE A 71 12.700 -7.922 -9.745 1.00 2.38 H new ATOM 0 HB ILE A 71 11.189 -5.299 -9.440 1.00 2.07 H new ATOM 0 HG12 ILE A 71 13.022 -5.597 -7.845 1.00 2.04 H new ATOM 0 HG13 ILE A 71 11.470 -5.693 -7.037 1.00 2.04 H new ATOM 0 HG21 ILE A 71 9.482 -6.604 -8.227 1.00 1.92 H new ATOM 0 HG22 ILE A 71 9.611 -7.106 -9.929 1.00 1.92 H new ATOM 0 HG23 ILE A 71 10.337 -8.106 -8.649 1.00 1.92 H new ATOM 0 HD11 ILE A 71 13.006 -7.401 -6.191 1.00 2.17 H new ATOM 0 HD12 ILE A 71 11.620 -8.159 -7.011 1.00 2.17 H new ATOM 0 HD13 ILE A 71 13.196 -8.062 -7.832 1.00 2.17 H new ATOM 873 N ALA A 72 11.581 -8.460 -11.866 1.00 2.56 N ATOM 874 CA ALA A 72 10.864 -8.843 -13.063 1.00 2.64 C ATOM 875 C ALA A 72 9.401 -9.082 -12.733 1.00 2.42 C ATOM 876 O ALA A 72 9.034 -9.258 -11.569 1.00 2.27 O ATOM 877 CB ALA A 72 11.487 -10.085 -13.683 1.00 2.89 C ATOM 0 H ALA A 72 12.079 -9.224 -11.410 1.00 2.56 H new ATOM 0 HA ALA A 72 10.931 -8.034 -13.790 1.00 2.64 H new ATOM 0 HB1 ALA A 72 10.935 -10.359 -14.582 1.00 2.89 H new ATOM 0 HB2 ALA A 72 12.526 -9.880 -13.943 1.00 2.89 H new ATOM 0 HB3 ALA A 72 11.447 -10.907 -12.969 1.00 2.89 H new ATOM 883 N ASP A 73 8.574 -9.089 -13.759 1.00 2.44 N ATOM 884 CA ASP A 73 7.139 -9.291 -13.600 1.00 2.28 C ATOM 885 C ASP A 73 6.827 -10.686 -13.067 1.00 2.31 C ATOM 886 O ASP A 73 5.853 -10.882 -12.346 1.00 2.17 O ATOM 887 CB ASP A 73 6.437 -9.083 -14.942 1.00 2.32 C ATOM 888 CG ASP A 73 6.367 -7.624 -15.355 1.00 2.24 C ATOM 889 OD1 ASP A 73 7.172 -6.809 -14.853 1.00 2.32 O ATOM 890 OD2 ASP A 73 5.512 -7.291 -16.199 1.00 2.18 O ATOM 0 H ASP A 73 8.872 -8.956 -14.725 1.00 2.44 H new ATOM 0 HA ASP A 73 6.774 -8.563 -12.875 1.00 2.28 H new ATOM 0 HB2 ASP A 73 6.962 -9.648 -15.712 1.00 2.32 H new ATOM 0 HB3 ASP A 73 5.426 -9.487 -14.884 1.00 2.32 H new ATOM 895 N ASN A 74 7.673 -11.644 -13.415 1.00 2.53 N ATOM 896 CA ASN A 74 7.495 -13.032 -12.993 1.00 2.61 C ATOM 897 C ASN A 74 8.040 -13.278 -11.586 1.00 2.56 C ATOM 898 O ASN A 74 8.035 -14.412 -11.100 1.00 2.62 O ATOM 899 CB ASN A 74 8.185 -13.969 -13.986 1.00 2.89 C ATOM 900 CG ASN A 74 9.633 -13.586 -14.232 1.00 3.10 C ATOM 901 OD1 ASN A 74 9.924 -12.712 -15.046 1.00 3.20 O ATOM 902 ND2 ASN A 74 10.550 -14.236 -13.537 1.00 3.29 N ATOM 0 H ASN A 74 8.498 -11.487 -13.994 1.00 2.53 H new ATOM 0 HA ASN A 74 6.424 -13.235 -12.973 1.00 2.61 H new ATOM 0 HB2 ASN A 74 8.141 -14.990 -13.608 1.00 2.89 H new ATOM 0 HB3 ASN A 74 7.643 -13.955 -14.931 1.00 2.89 H new ATOM 0 HD21 ASN A 74 11.538 -14.018 -13.667 1.00 3.29 H new ATOM 0 HD22 ASN A 74 10.270 -14.955 -12.870 1.00 3.29 H new ATOM 909 N HIS A 75 8.501 -12.221 -10.930 1.00 2.48 N ATOM 910 CA HIS A 75 9.049 -12.341 -9.583 1.00 2.46 C ATOM 911 C HIS A 75 7.932 -12.381 -8.544 1.00 2.21 C ATOM 912 O HIS A 75 6.785 -12.041 -8.837 1.00 2.00 O ATOM 913 CB HIS A 75 9.998 -11.178 -9.276 1.00 2.47 C ATOM 914 CG HIS A 75 11.367 -11.338 -9.865 1.00 2.75 C ATOM 915 ND1 HIS A 75 12.453 -10.577 -9.492 1.00 3.12 N ATOM 916 CD2 HIS A 75 11.817 -12.185 -10.824 1.00 2.97 C ATOM 917 CE1 HIS A 75 13.505 -10.977 -10.216 1.00 3.27 C ATOM 918 NE2 HIS A 75 13.172 -11.950 -11.041 1.00 3.17 N ATOM 0 H HIS A 75 8.507 -11.273 -11.306 1.00 2.48 H new ATOM 0 HA HIS A 75 9.608 -13.275 -9.535 1.00 2.46 H new ATOM 0 HB2 HIS A 75 9.558 -10.254 -9.651 1.00 2.47 H new ATOM 0 HB3 HIS A 75 10.089 -11.072 -8.195 1.00 2.47 H new ATOM 0 HD2 HIS A 75 11.220 -12.924 -11.337 1.00 2.97 H new ATOM 0 HE1 HIS A 75 14.497 -10.558 -10.135 1.00 3.27 H new ATOM 0 HE2 HIS A 75 13.782 -12.431 -11.702 1.00 3.17 H new ATOM 926 N THR A 76 8.275 -12.793 -7.334 1.00 2.27 N ATOM 927 CA THR A 76 7.316 -12.881 -6.246 1.00 2.09 C ATOM 928 C THR A 76 8.052 -12.788 -4.911 1.00 2.05 C ATOM 929 O THR A 76 9.195 -13.232 -4.810 1.00 2.19 O ATOM 930 CB THR A 76 6.504 -14.203 -6.320 1.00 2.22 C ATOM 931 OG1 THR A 76 5.510 -14.254 -5.285 1.00 2.32 O ATOM 932 CG2 THR A 76 7.415 -15.419 -6.209 1.00 2.53 C ATOM 0 H THR A 76 9.222 -13.075 -7.080 1.00 2.27 H new ATOM 0 HA THR A 76 6.613 -12.053 -6.334 1.00 2.09 H new ATOM 0 HB THR A 76 6.009 -14.223 -7.291 1.00 2.22 H new ATOM 0 HG1 THR A 76 5.010 -15.094 -5.353 1.00 2.32 H new ATOM 0 HG21 THR A 76 6.816 -16.328 -6.264 1.00 2.53 H new ATOM 0 HG22 THR A 76 8.136 -15.409 -7.026 1.00 2.53 H new ATOM 0 HG23 THR A 76 7.945 -15.391 -5.257 1.00 2.53 H new ATOM 940 N PRO A 77 7.429 -12.176 -3.883 1.00 1.92 N ATOM 941 CA PRO A 77 8.030 -12.047 -2.544 1.00 1.92 C ATOM 942 C PRO A 77 8.444 -13.393 -1.944 1.00 2.13 C ATOM 943 O PRO A 77 9.231 -13.450 -0.997 1.00 2.21 O ATOM 944 CB PRO A 77 6.910 -11.421 -1.708 1.00 1.76 C ATOM 945 CG PRO A 77 6.053 -10.706 -2.692 1.00 1.66 C ATOM 946 CD PRO A 77 6.111 -11.517 -3.957 1.00 1.81 C ATOM 0 HA PRO A 77 8.947 -11.458 -2.575 1.00 1.92 H new ATOM 0 HB2 PRO A 77 6.344 -12.183 -1.171 1.00 1.76 H new ATOM 0 HB3 PRO A 77 7.310 -10.736 -0.961 1.00 1.76 H new ATOM 0 HG2 PRO A 77 5.029 -10.622 -2.329 1.00 1.66 H new ATOM 0 HG3 PRO A 77 6.416 -9.692 -2.861 1.00 1.66 H new ATOM 0 HD2 PRO A 77 5.301 -12.244 -4.005 1.00 1.81 H new ATOM 0 HD3 PRO A 77 6.026 -10.887 -4.842 1.00 1.81 H new ATOM 954 N LYS A 78 7.912 -14.474 -2.504 1.00 2.23 N ATOM 955 CA LYS A 78 8.222 -15.818 -2.036 1.00 2.44 C ATOM 956 C LYS A 78 9.641 -16.226 -2.453 1.00 2.61 C ATOM 957 O LYS A 78 10.207 -17.183 -1.922 1.00 2.76 O ATOM 958 CB LYS A 78 7.180 -16.815 -2.566 1.00 2.48 C ATOM 959 CG LYS A 78 7.309 -18.226 -2.002 1.00 2.66 C ATOM 960 CD LYS A 78 7.487 -18.231 -0.487 1.00 2.76 C ATOM 961 CE LYS A 78 6.256 -17.712 0.240 1.00 2.73 C ATOM 962 NZ LYS A 78 6.524 -17.476 1.683 1.00 2.92 N ATOM 0 H LYS A 78 7.260 -14.444 -3.288 1.00 2.23 H new ATOM 0 HA LYS A 78 8.183 -15.827 -0.947 1.00 2.44 H new ATOM 0 HB2 LYS A 78 6.184 -16.436 -2.337 1.00 2.48 H new ATOM 0 HB3 LYS A 78 7.261 -16.863 -3.652 1.00 2.48 H new ATOM 0 HG2 LYS A 78 6.421 -18.802 -2.263 1.00 2.66 H new ATOM 0 HG3 LYS A 78 8.160 -18.724 -2.467 1.00 2.66 H new ATOM 0 HD2 LYS A 78 7.703 -19.245 -0.152 1.00 2.76 H new ATOM 0 HD3 LYS A 78 8.348 -17.617 -0.222 1.00 2.76 H new ATOM 0 HE2 LYS A 78 5.924 -16.783 -0.224 1.00 2.73 H new ATOM 0 HE3 LYS A 78 5.442 -18.429 0.134 1.00 2.73 H new ATOM 0 HZ1 LYS A 78 5.970 -16.659 2.010 1.00 2.92 H new ATOM 0 HZ2 LYS A 78 6.253 -18.319 2.229 1.00 2.92 H new ATOM 0 HZ3 LYS A 78 7.537 -17.285 1.821 1.00 2.92 H new ATOM 976 N GLU A 79 10.212 -15.494 -3.400 1.00 2.62 N ATOM 977 CA GLU A 79 11.564 -15.768 -3.858 1.00 2.81 C ATOM 978 C GLU A 79 12.445 -14.551 -3.600 1.00 2.76 C ATOM 979 O GLU A 79 11.946 -13.502 -3.191 1.00 2.60 O ATOM 980 CB GLU A 79 11.593 -16.171 -5.338 1.00 2.89 C ATOM 981 CG GLU A 79 11.195 -15.069 -6.309 1.00 2.73 C ATOM 982 CD GLU A 79 11.092 -15.570 -7.739 1.00 2.84 C ATOM 983 OE1 GLU A 79 10.352 -16.548 -7.977 1.00 2.70 O ATOM 984 OE2 GLU A 79 11.745 -14.991 -8.632 1.00 3.18 O ATOM 0 H GLU A 79 9.759 -14.707 -3.865 1.00 2.62 H new ATOM 0 HA GLU A 79 11.954 -16.616 -3.295 1.00 2.81 H new ATOM 0 HB2 GLU A 79 12.598 -16.510 -5.588 1.00 2.89 H new ATOM 0 HB3 GLU A 79 10.925 -17.021 -5.482 1.00 2.89 H new ATOM 0 HG2 GLU A 79 10.237 -14.648 -6.004 1.00 2.73 H new ATOM 0 HG3 GLU A 79 11.927 -14.263 -6.261 1.00 2.73 H new ATOM 991 N LEU A 80 13.751 -14.717 -3.805 1.00 2.91 N ATOM 992 CA LEU A 80 14.738 -13.648 -3.593 1.00 2.90 C ATOM 993 C LEU A 80 14.958 -13.388 -2.103 1.00 2.89 C ATOM 994 O LEU A 80 15.798 -12.573 -1.725 1.00 3.04 O ATOM 995 CB LEU A 80 14.325 -12.345 -4.292 1.00 2.74 C ATOM 996 CG LEU A 80 14.359 -12.379 -5.820 1.00 2.80 C ATOM 997 CD1 LEU A 80 13.733 -11.117 -6.391 1.00 2.70 C ATOM 998 CD2 LEU A 80 15.788 -12.536 -6.321 1.00 2.94 C ATOM 0 H LEU A 80 14.159 -15.596 -4.123 1.00 2.91 H new ATOM 0 HA LEU A 80 15.674 -13.991 -4.034 1.00 2.90 H new ATOM 0 HB2 LEU A 80 13.315 -12.087 -3.974 1.00 2.74 H new ATOM 0 HB3 LEU A 80 14.981 -11.545 -3.949 1.00 2.74 H new ATOM 0 HG LEU A 80 13.780 -13.239 -6.158 1.00 2.80 H new ATOM 0 HD11 LEU A 80 13.765 -11.156 -7.480 1.00 2.70 H new ATOM 0 HD12 LEU A 80 12.697 -11.043 -6.060 1.00 2.70 H new ATOM 0 HD13 LEU A 80 14.288 -10.246 -6.043 1.00 2.70 H new ATOM 0 HD21 LEU A 80 15.791 -12.558 -7.411 1.00 2.94 H new ATOM 0 HD22 LEU A 80 16.390 -11.696 -5.973 1.00 2.94 H new ATOM 0 HD23 LEU A 80 16.208 -13.466 -5.938 1.00 2.94 H new ATOM 1010 N GLY A 81 14.205 -14.090 -1.268 1.00 2.76 N ATOM 1011 CA GLY A 81 14.330 -13.929 0.163 1.00 2.76 C ATOM 1012 C GLY A 81 13.795 -12.600 0.660 1.00 2.56 C ATOM 1013 O GLY A 81 14.461 -11.913 1.429 1.00 2.57 O ATOM 0 H GLY A 81 13.506 -14.772 -1.561 1.00 2.76 H new ATOM 0 HA2 GLY A 81 13.797 -14.738 0.662 1.00 2.76 H new ATOM 0 HA3 GLY A 81 15.380 -14.019 0.443 1.00 2.76 H new ATOM 1017 N MET A 82 12.600 -12.227 0.214 1.00 2.41 N ATOM 1018 CA MET A 82 11.987 -10.974 0.647 1.00 2.23 C ATOM 1019 C MET A 82 11.505 -11.104 2.085 1.00 2.23 C ATOM 1020 O MET A 82 10.845 -12.083 2.439 1.00 2.28 O ATOM 1021 CB MET A 82 10.828 -10.589 -0.274 1.00 2.05 C ATOM 1022 CG MET A 82 11.212 -9.581 -1.343 1.00 2.27 C ATOM 1023 SD MET A 82 9.795 -9.005 -2.297 1.00 2.05 S ATOM 1024 CE MET A 82 10.520 -7.605 -3.143 1.00 2.01 C ATOM 0 H MET A 82 12.039 -12.769 -0.443 1.00 2.41 H new ATOM 0 HA MET A 82 12.735 -10.183 0.594 1.00 2.23 H new ATOM 0 HB2 MET A 82 10.443 -11.488 -0.755 1.00 2.05 H new ATOM 0 HB3 MET A 82 10.018 -10.177 0.328 1.00 2.05 H new ATOM 0 HG2 MET A 82 11.700 -8.727 -0.873 1.00 2.27 H new ATOM 0 HG3 MET A 82 11.940 -10.032 -2.017 1.00 2.27 H new ATOM 0 HE1 MET A 82 9.732 -7.012 -3.606 1.00 2.01 H new ATOM 0 HE2 MET A 82 11.064 -6.989 -2.427 1.00 2.01 H new ATOM 0 HE3 MET A 82 11.206 -7.960 -3.912 1.00 2.01 H new ATOM 1034 N GLU A 83 11.842 -10.131 2.916 1.00 2.20 N ATOM 1035 CA GLU A 83 11.457 -10.168 4.317 1.00 2.22 C ATOM 1036 C GLU A 83 10.591 -8.971 4.693 1.00 2.07 C ATOM 1037 O GLU A 83 10.301 -8.111 3.862 1.00 1.91 O ATOM 1038 CB GLU A 83 12.708 -10.209 5.194 1.00 2.42 C ATOM 1039 CG GLU A 83 13.734 -11.234 4.733 1.00 2.73 C ATOM 1040 CD GLU A 83 15.073 -11.074 5.418 1.00 2.98 C ATOM 1041 OE1 GLU A 83 15.272 -10.059 6.117 1.00 3.44 O ATOM 1042 OE2 GLU A 83 15.930 -11.968 5.267 1.00 2.89 O ATOM 0 H GLU A 83 12.380 -9.308 2.645 1.00 2.20 H new ATOM 0 HA GLU A 83 10.865 -11.068 4.482 1.00 2.22 H new ATOM 0 HB2 GLU A 83 13.170 -9.222 5.202 1.00 2.42 H new ATOM 0 HB3 GLU A 83 12.417 -10.433 6.220 1.00 2.42 H new ATOM 0 HG2 GLU A 83 13.351 -12.236 4.925 1.00 2.73 H new ATOM 0 HG3 GLU A 83 13.870 -11.146 3.655 1.00 2.73 H new ATOM 1049 N GLU A 84 10.173 -8.942 5.951 1.00 2.15 N ATOM 1050 CA GLU A 84 9.347 -7.860 6.472 1.00 2.07 C ATOM 1051 C GLU A 84 10.142 -6.560 6.529 1.00 2.08 C ATOM 1052 O GLU A 84 11.315 -6.565 6.913 1.00 2.22 O ATOM 1053 CB GLU A 84 8.836 -8.226 7.868 1.00 2.20 C ATOM 1054 CG GLU A 84 8.044 -7.115 8.545 1.00 2.18 C ATOM 1055 CD GLU A 84 6.670 -6.915 7.941 1.00 2.10 C ATOM 1056 OE1 GLU A 84 5.712 -7.564 8.414 1.00 2.34 O ATOM 1057 OE2 GLU A 84 6.539 -6.093 7.007 1.00 2.01 O ATOM 0 H GLU A 84 10.395 -9.664 6.637 1.00 2.15 H new ATOM 0 HA GLU A 84 8.497 -7.715 5.805 1.00 2.07 H new ATOM 0 HB2 GLU A 84 8.208 -9.113 7.793 1.00 2.20 H new ATOM 0 HB3 GLU A 84 9.686 -8.489 8.498 1.00 2.20 H new ATOM 0 HG2 GLU A 84 7.939 -7.346 9.605 1.00 2.18 H new ATOM 0 HG3 GLU A 84 8.604 -6.183 8.476 1.00 2.18 H new ATOM 1064 N GLU A 85 9.494 -5.457 6.150 1.00 1.98 N ATOM 1065 CA GLU A 85 10.121 -4.137 6.144 1.00 2.01 C ATOM 1066 C GLU A 85 11.365 -4.137 5.263 1.00 2.02 C ATOM 1067 O GLU A 85 12.377 -3.515 5.597 1.00 2.18 O ATOM 1068 CB GLU A 85 10.473 -3.698 7.567 1.00 2.22 C ATOM 1069 CG GLU A 85 9.260 -3.414 8.437 1.00 2.32 C ATOM 1070 CD GLU A 85 8.563 -2.116 8.082 1.00 2.36 C ATOM 1071 OE1 GLU A 85 9.222 -1.050 8.123 1.00 2.55 O ATOM 1072 OE2 GLU A 85 7.349 -2.148 7.788 1.00 2.47 O ATOM 0 H GLU A 85 8.522 -5.455 5.840 1.00 1.98 H new ATOM 0 HA GLU A 85 9.407 -3.424 5.732 1.00 2.01 H new ATOM 0 HB2 GLU A 85 11.074 -4.475 8.039 1.00 2.22 H new ATOM 0 HB3 GLU A 85 11.092 -2.802 7.519 1.00 2.22 H new ATOM 0 HG2 GLU A 85 8.552 -4.237 8.342 1.00 2.32 H new ATOM 0 HG3 GLU A 85 9.570 -3.379 9.481 1.00 2.32 H new ATOM 1079 N ASP A 86 11.281 -4.834 4.138 1.00 1.90 N ATOM 1080 CA ASP A 86 12.399 -4.920 3.209 1.00 1.96 C ATOM 1081 C ASP A 86 12.509 -3.641 2.392 1.00 1.88 C ATOM 1082 O ASP A 86 11.567 -2.850 2.333 1.00 1.79 O ATOM 1083 CB ASP A 86 12.246 -6.122 2.279 1.00 1.93 C ATOM 1084 CG ASP A 86 13.561 -6.838 2.059 1.00 2.12 C ATOM 1085 OD1 ASP A 86 14.531 -6.188 1.614 1.00 2.17 O ATOM 1086 OD2 ASP A 86 13.636 -8.055 2.339 1.00 2.28 O ATOM 0 H ASP A 86 10.450 -5.348 3.847 1.00 1.90 H new ATOM 0 HA ASP A 86 13.311 -5.049 3.791 1.00 1.96 H new ATOM 0 HB2 ASP A 86 11.521 -6.817 2.701 1.00 1.93 H new ATOM 0 HB3 ASP A 86 11.849 -5.790 1.320 1.00 1.93 H new ATOM 1091 N VAL A 87 13.645 -3.455 1.743 1.00 1.97 N ATOM 1092 CA VAL A 87 13.889 -2.253 0.960 1.00 1.94 C ATOM 1093 C VAL A 87 13.743 -2.510 -0.536 1.00 1.94 C ATOM 1094 O VAL A 87 14.266 -3.490 -1.068 1.00 2.10 O ATOM 1095 CB VAL A 87 15.301 -1.685 1.242 1.00 2.13 C ATOM 1096 CG1 VAL A 87 15.555 -0.424 0.434 1.00 2.18 C ATOM 1097 CG2 VAL A 87 15.481 -1.414 2.725 1.00 2.19 C ATOM 0 H VAL A 87 14.416 -4.122 1.742 1.00 1.97 H new ATOM 0 HA VAL A 87 13.136 -1.525 1.262 1.00 1.94 H new ATOM 0 HB VAL A 87 16.032 -2.433 0.936 1.00 2.13 H new ATOM 0 HG11 VAL A 87 16.554 -0.047 0.652 1.00 2.18 H new ATOM 0 HG12 VAL A 87 15.477 -0.651 -0.629 1.00 2.18 H new ATOM 0 HG13 VAL A 87 14.816 0.333 0.698 1.00 2.18 H new ATOM 0 HG21 VAL A 87 16.480 -1.015 2.903 1.00 2.19 H new ATOM 0 HG22 VAL A 87 14.737 -0.690 3.055 1.00 2.19 H new ATOM 0 HG23 VAL A 87 15.356 -2.342 3.282 1.00 2.19 H new ATOM 1107 N ILE A 88 13.019 -1.629 -1.201 1.00 1.78 N ATOM 1108 CA ILE A 88 12.820 -1.721 -2.633 1.00 1.80 C ATOM 1109 C ILE A 88 13.063 -0.346 -3.250 1.00 1.86 C ATOM 1110 O ILE A 88 12.524 0.659 -2.790 1.00 1.79 O ATOM 1111 CB ILE A 88 11.409 -2.253 -2.994 1.00 1.61 C ATOM 1112 CG1 ILE A 88 11.239 -2.347 -4.512 1.00 1.67 C ATOM 1113 CG2 ILE A 88 10.319 -1.386 -2.380 1.00 1.44 C ATOM 1114 CD1 ILE A 88 10.056 -3.193 -4.936 1.00 1.52 C ATOM 0 H ILE A 88 12.554 -0.833 -0.765 1.00 1.78 H new ATOM 0 HA ILE A 88 13.531 -2.440 -3.040 1.00 1.80 H new ATOM 0 HB ILE A 88 11.312 -3.255 -2.575 1.00 1.61 H new ATOM 0 HG12 ILE A 88 11.122 -1.343 -4.919 1.00 1.67 H new ATOM 0 HG13 ILE A 88 12.148 -2.764 -4.946 1.00 1.67 H new ATOM 0 HG21 ILE A 88 9.341 -1.784 -2.651 1.00 1.44 H new ATOM 0 HG22 ILE A 88 10.423 -1.385 -1.295 1.00 1.44 H new ATOM 0 HG23 ILE A 88 10.411 -0.366 -2.754 1.00 1.44 H new ATOM 0 HD11 ILE A 88 9.996 -3.216 -6.024 1.00 1.52 H new ATOM 0 HD12 ILE A 88 10.180 -4.208 -4.558 1.00 1.52 H new ATOM 0 HD13 ILE A 88 9.139 -2.765 -4.531 1.00 1.52 H new ATOM 1126 N GLU A 89 13.914 -0.292 -4.256 1.00 2.04 N ATOM 1127 CA GLU A 89 14.240 0.971 -4.894 1.00 2.14 C ATOM 1128 C GLU A 89 13.536 1.103 -6.233 1.00 2.11 C ATOM 1129 O GLU A 89 13.397 0.128 -6.967 1.00 2.11 O ATOM 1130 CB GLU A 89 15.750 1.078 -5.083 1.00 2.41 C ATOM 1131 CG GLU A 89 16.538 0.887 -3.797 1.00 2.43 C ATOM 1132 CD GLU A 89 18.028 0.782 -4.038 1.00 2.68 C ATOM 1133 OE1 GLU A 89 18.617 1.746 -4.571 1.00 2.90 O ATOM 1134 OE2 GLU A 89 18.618 -0.267 -3.702 1.00 2.87 O ATOM 0 H GLU A 89 14.391 -1.104 -4.649 1.00 2.04 H new ATOM 0 HA GLU A 89 13.897 1.781 -4.250 1.00 2.14 H new ATOM 0 HB2 GLU A 89 16.071 0.332 -5.810 1.00 2.41 H new ATOM 0 HB3 GLU A 89 15.987 2.055 -5.503 1.00 2.41 H new ATOM 0 HG2 GLU A 89 16.340 1.723 -3.126 1.00 2.43 H new ATOM 0 HG3 GLU A 89 16.191 -0.015 -3.293 1.00 2.43 H new ATOM 1141 N VAL A 90 13.088 2.308 -6.544 1.00 2.12 N ATOM 1142 CA VAL A 90 12.414 2.563 -7.806 1.00 2.12 C ATOM 1143 C VAL A 90 13.158 3.637 -8.593 1.00 2.32 C ATOM 1144 O VAL A 90 13.466 4.712 -8.072 1.00 2.36 O ATOM 1145 CB VAL A 90 10.931 2.967 -7.605 1.00 1.93 C ATOM 1146 CG1 VAL A 90 10.801 4.282 -6.847 1.00 1.92 C ATOM 1147 CG2 VAL A 90 10.215 3.044 -8.945 1.00 1.94 C ATOM 0 H VAL A 90 13.179 3.125 -5.940 1.00 2.12 H new ATOM 0 HA VAL A 90 12.420 1.633 -8.374 1.00 2.12 H new ATOM 0 HB VAL A 90 10.457 2.195 -6.999 1.00 1.93 H new ATOM 0 HG11 VAL A 90 9.746 4.530 -6.727 1.00 1.92 H new ATOM 0 HG12 VAL A 90 11.265 4.184 -5.865 1.00 1.92 H new ATOM 0 HG13 VAL A 90 11.299 5.075 -7.406 1.00 1.92 H new ATOM 0 HG21 VAL A 90 9.175 3.329 -8.786 1.00 1.94 H new ATOM 0 HG22 VAL A 90 10.702 3.787 -9.576 1.00 1.94 H new ATOM 0 HG23 VAL A 90 10.254 2.071 -9.435 1.00 1.94 H new ATOM 1157 N TYR A 91 13.485 3.321 -9.833 1.00 2.46 N ATOM 1158 CA TYR A 91 14.190 4.250 -10.696 1.00 2.66 C ATOM 1159 C TYR A 91 13.483 4.340 -12.037 1.00 2.72 C ATOM 1160 O TYR A 91 12.647 3.496 -12.359 1.00 2.67 O ATOM 1161 CB TYR A 91 15.643 3.814 -10.890 1.00 2.86 C ATOM 1162 CG TYR A 91 16.461 3.837 -9.618 1.00 2.85 C ATOM 1163 CD1 TYR A 91 17.021 5.019 -9.150 1.00 2.89 C ATOM 1164 CD2 TYR A 91 16.679 2.675 -8.888 1.00 2.82 C ATOM 1165 CE1 TYR A 91 17.771 5.043 -7.989 1.00 2.92 C ATOM 1166 CE2 TYR A 91 17.428 2.691 -7.728 1.00 2.84 C ATOM 1167 CZ TYR A 91 17.973 3.874 -7.282 1.00 2.89 C ATOM 1168 OH TYR A 91 18.728 3.886 -6.132 1.00 2.94 O ATOM 0 H TYR A 91 13.272 2.423 -10.266 1.00 2.46 H new ATOM 0 HA TYR A 91 14.192 5.233 -10.225 1.00 2.66 H new ATOM 0 HB2 TYR A 91 15.658 2.805 -11.303 1.00 2.86 H new ATOM 0 HB3 TYR A 91 16.113 4.466 -11.626 1.00 2.86 H new ATOM 0 HD1 TYR A 91 16.868 5.934 -9.702 1.00 2.89 H new ATOM 0 HD2 TYR A 91 16.255 1.744 -9.234 1.00 2.82 H new ATOM 0 HE1 TYR A 91 18.197 5.971 -7.637 1.00 2.92 H new ATOM 0 HE2 TYR A 91 17.586 1.778 -7.172 1.00 2.84 H new ATOM 0 HH TYR A 91 18.796 2.976 -5.776 1.00 2.94 H new ATOM 1178 N GLN A 92 13.819 5.349 -12.819 1.00 2.84 N ATOM 1179 CA GLN A 92 13.192 5.539 -14.114 1.00 2.93 C ATOM 1180 C GLN A 92 14.044 4.937 -15.224 1.00 3.14 C ATOM 1181 O GLN A 92 15.271 5.040 -15.207 1.00 3.31 O ATOM 1182 CB GLN A 92 12.959 7.029 -14.369 1.00 3.07 C ATOM 1183 CG GLN A 92 12.113 7.317 -15.596 1.00 3.13 C ATOM 1184 CD GLN A 92 11.547 8.721 -15.587 1.00 3.36 C ATOM 1185 OE1 GLN A 92 10.454 8.959 -15.073 1.00 3.44 O ATOM 1186 NE2 GLN A 92 12.284 9.662 -16.153 1.00 3.63 N ATOM 0 H GLN A 92 14.522 6.049 -12.581 1.00 2.84 H new ATOM 0 HA GLN A 92 12.231 5.026 -14.110 1.00 2.93 H new ATOM 0 HB2 GLN A 92 12.475 7.466 -13.495 1.00 3.07 H new ATOM 0 HB3 GLN A 92 13.924 7.524 -14.480 1.00 3.07 H new ATOM 0 HG2 GLN A 92 12.717 7.177 -16.492 1.00 3.13 H new ATOM 0 HG3 GLN A 92 11.295 6.598 -15.648 1.00 3.13 H new ATOM 0 HE21 GLN A 92 13.185 9.424 -16.568 1.00 3.63 H new ATOM 0 HE22 GLN A 92 11.952 10.626 -16.174 1.00 3.63 H new ATOM 1195 N GLU A 93 13.384 4.290 -16.173 1.00 3.15 N ATOM 1196 CA GLU A 93 14.059 3.679 -17.305 1.00 3.36 C ATOM 1197 C GLU A 93 14.474 4.761 -18.298 1.00 3.61 C ATOM 1198 O GLU A 93 13.780 5.768 -18.450 1.00 3.61 O ATOM 1199 CB GLU A 93 13.142 2.655 -17.983 1.00 3.31 C ATOM 1200 CG GLU A 93 12.648 1.563 -17.041 1.00 3.20 C ATOM 1201 CD GLU A 93 13.592 0.376 -16.951 1.00 3.30 C ATOM 1202 OE1 GLU A 93 14.824 0.576 -17.018 1.00 3.36 O ATOM 1203 OE2 GLU A 93 13.108 -0.766 -16.807 1.00 3.35 O ATOM 0 H GLU A 93 12.371 4.175 -16.179 1.00 3.15 H new ATOM 0 HA GLU A 93 14.950 3.159 -16.952 1.00 3.36 H new ATOM 0 HB2 GLU A 93 12.282 3.174 -18.407 1.00 3.31 H new ATOM 0 HB3 GLU A 93 13.677 2.193 -18.813 1.00 3.31 H new ATOM 0 HG2 GLU A 93 12.511 1.986 -16.046 1.00 3.20 H new ATOM 0 HG3 GLU A 93 11.671 1.217 -17.378 1.00 3.20 H new ATOM 1210 N GLN A 94 15.600 4.551 -18.962 1.00 3.83 N ATOM 1211 CA GLN A 94 16.119 5.514 -19.931 1.00 4.09 C ATOM 1212 C GLN A 94 15.242 5.573 -21.178 1.00 4.17 C ATOM 1213 O GLN A 94 15.195 6.594 -21.867 1.00 4.33 O ATOM 1214 CB GLN A 94 17.556 5.146 -20.318 1.00 4.34 C ATOM 1215 CG GLN A 94 18.293 6.242 -21.072 1.00 4.61 C ATOM 1216 CD GLN A 94 19.577 5.744 -21.704 1.00 4.80 C ATOM 1217 OE1 GLN A 94 19.591 5.303 -22.856 1.00 4.90 O ATOM 1218 NE2 GLN A 94 20.663 5.803 -20.951 1.00 4.92 N ATOM 0 H GLN A 94 16.178 3.718 -18.849 1.00 3.83 H new ATOM 0 HA GLN A 94 16.111 6.499 -19.465 1.00 4.09 H new ATOM 0 HB2 GLN A 94 18.114 4.903 -19.414 1.00 4.34 H new ATOM 0 HB3 GLN A 94 17.537 4.246 -20.933 1.00 4.34 H new ATOM 0 HG2 GLN A 94 17.643 6.647 -21.847 1.00 4.61 H new ATOM 0 HG3 GLN A 94 18.521 7.060 -20.388 1.00 4.61 H new ATOM 0 HE21 GLN A 94 20.607 6.175 -20.003 1.00 4.92 H new ATOM 0 HE22 GLN A 94 21.557 5.476 -21.318 1.00 4.92 H new ATOM 1227 N THR A 95 14.541 4.483 -21.453 1.00 4.08 N ATOM 1228 CA THR A 95 13.667 4.396 -22.615 1.00 4.17 C ATOM 1229 C THR A 95 12.425 5.269 -22.446 1.00 4.00 C ATOM 1230 O THR A 95 11.747 5.595 -23.417 1.00 4.17 O ATOM 1231 CB THR A 95 13.232 2.945 -22.850 1.00 4.11 C ATOM 1232 OG1 THR A 95 13.475 2.176 -21.662 1.00 3.88 O ATOM 1233 CG2 THR A 95 13.983 2.337 -24.024 1.00 4.41 C ATOM 0 H THR A 95 14.561 3.638 -20.881 1.00 4.08 H new ATOM 0 HA THR A 95 14.233 4.755 -23.475 1.00 4.17 H new ATOM 0 HB THR A 95 12.168 2.932 -23.084 1.00 4.11 H new ATOM 0 HG1 THR A 95 12.952 2.546 -20.920 1.00 3.88 H new ATOM 0 HG21 THR A 95 13.657 1.307 -24.171 1.00 4.41 H new ATOM 0 HG22 THR A 95 13.778 2.914 -24.925 1.00 4.41 H new ATOM 0 HG23 THR A 95 15.053 2.353 -23.819 1.00 4.41 H new ATOM 1241 N GLY A 96 12.132 5.641 -21.201 1.00 3.73 N ATOM 1242 CA GLY A 96 10.972 6.470 -20.926 1.00 3.60 C ATOM 1243 C GLY A 96 9.681 5.675 -20.899 1.00 3.42 C ATOM 1244 O GLY A 96 8.605 6.223 -20.656 1.00 3.37 O ATOM 0 H GLY A 96 12.678 5.382 -20.379 1.00 3.73 H new ATOM 0 HA2 GLY A 96 11.107 6.970 -19.967 1.00 3.60 H new ATOM 0 HA3 GLY A 96 10.899 7.249 -21.685 1.00 3.60 H new ATOM 1248 N GLY A 97 9.785 4.379 -21.149 1.00 3.39 N ATOM 1249 CA GLY A 97 8.617 3.531 -21.147 1.00 3.25 C ATOM 1250 C GLY A 97 8.493 2.764 -22.441 1.00 3.46 C ATOM 1251 O GLY A 97 7.357 2.535 -22.900 1.00 3.54 O ATOM 1252 OXT GLY A 97 9.536 2.391 -23.009 1.00 3.68 O ATOM 0 H GLY A 97 10.662 3.900 -21.354 1.00 3.39 H new ATOM 0 HA2 GLY A 97 8.674 2.833 -20.312 1.00 3.25 H new ATOM 0 HA3 GLY A 97 7.725 4.138 -20.995 1.00 3.25 H new TER 1256 GLY A 97 ATOM 1257 N LYS B 1 7.041 11.391 1.912 1.00 3.70 N ATOM 1258 CA LYS B 1 6.076 10.985 2.961 1.00 3.56 C ATOM 1259 C LYS B 1 5.865 9.481 2.925 1.00 2.96 C ATOM 1260 O LYS B 1 5.724 8.898 1.848 1.00 3.20 O ATOM 1261 CB LYS B 1 4.730 11.688 2.759 1.00 4.36 C ATOM 1262 CG LYS B 1 3.697 11.347 3.826 1.00 5.08 C ATOM 1263 CD LYS B 1 2.298 11.223 3.243 1.00 5.92 C ATOM 1264 CE LYS B 1 1.281 10.865 4.315 1.00 6.64 C ATOM 1265 NZ LYS B 1 -0.063 10.586 3.744 1.00 7.46 N ATOM 0 H1 LYS B 1 6.770 12.320 1.532 1.00 3.70 H new ATOM 0 H2 LYS B 1 7.995 11.449 2.322 1.00 3.70 H new ATOM 0 H3 LYS B 1 7.036 10.689 1.145 1.00 3.70 H new ATOM 0 HA LYS B 1 6.487 11.273 3.929 1.00 3.56 H new ATOM 0 HB2 LYS B 1 4.890 12.766 2.752 1.00 4.36 H new ATOM 0 HB3 LYS B 1 4.332 11.418 1.781 1.00 4.36 H new ATOM 0 HG2 LYS B 1 3.972 10.411 4.311 1.00 5.08 H new ATOM 0 HG3 LYS B 1 3.702 12.119 4.596 1.00 5.08 H new ATOM 0 HD2 LYS B 1 2.015 12.163 2.770 1.00 5.92 H new ATOM 0 HD3 LYS B 1 2.293 10.460 2.465 1.00 5.92 H new ATOM 0 HE2 LYS B 1 1.629 9.991 4.865 1.00 6.64 H new ATOM 0 HE3 LYS B 1 1.207 11.684 5.031 1.00 6.64 H new ATOM 0 HZ1 LYS B 1 -0.719 10.330 4.509 1.00 7.46 H new ATOM 0 HZ2 LYS B 1 -0.415 11.434 3.255 1.00 7.46 H new ATOM 0 HZ3 LYS B 1 0.004 9.799 3.068 1.00 7.46 H new ATOM 1281 N VAL B 2 5.856 8.852 4.094 1.00 2.52 N ATOM 1282 CA VAL B 2 5.638 7.428 4.177 1.00 2.19 C ATOM 1283 C VAL B 2 4.147 7.151 4.081 1.00 2.16 C ATOM 1284 O VAL B 2 3.394 7.371 5.031 1.00 2.32 O ATOM 1285 CB VAL B 2 6.180 6.839 5.499 1.00 2.29 C ATOM 1286 CG1 VAL B 2 6.082 5.323 5.494 1.00 2.65 C ATOM 1287 CG2 VAL B 2 7.614 7.282 5.749 1.00 2.60 C ATOM 0 H VAL B 2 5.998 9.313 4.993 1.00 2.52 H new ATOM 0 HA VAL B 2 6.174 6.954 3.355 1.00 2.19 H new ATOM 0 HB VAL B 2 5.563 7.220 6.312 1.00 2.29 H new ATOM 0 HG11 VAL B 2 6.469 4.930 6.434 1.00 2.65 H new ATOM 0 HG12 VAL B 2 5.040 5.026 5.379 1.00 2.65 H new ATOM 0 HG13 VAL B 2 6.667 4.923 4.666 1.00 2.65 H new ATOM 0 HG21 VAL B 2 7.969 6.853 6.686 1.00 2.60 H new ATOM 0 HG22 VAL B 2 8.248 6.942 4.930 1.00 2.60 H new ATOM 0 HG23 VAL B 2 7.653 8.370 5.810 1.00 2.60 H new ATOM 1297 N ASP B 3 3.734 6.686 2.924 1.00 2.10 N ATOM 1298 CA ASP B 3 2.341 6.363 2.678 1.00 2.09 C ATOM 1299 C ASP B 3 2.258 4.892 2.326 1.00 1.88 C ATOM 1300 O ASP B 3 2.749 4.485 1.282 1.00 1.83 O ATOM 1301 CB ASP B 3 1.789 7.224 1.538 1.00 2.18 C ATOM 1302 CG ASP B 3 0.329 7.579 1.723 1.00 2.18 C ATOM 1303 OD1 ASP B 3 -0.044 8.034 2.824 1.00 2.50 O ATOM 1304 OD2 ASP B 3 -0.453 7.422 0.761 1.00 2.25 O ATOM 0 H ASP B 3 4.349 6.520 2.127 1.00 2.10 H new ATOM 0 HA ASP B 3 1.742 6.568 3.565 1.00 2.09 H new ATOM 0 HB2 ASP B 3 2.374 8.141 1.465 1.00 2.18 H new ATOM 0 HB3 ASP B 3 1.912 6.692 0.595 1.00 2.18 H new ATOM 1309 N VAL B 4 1.643 4.100 3.190 1.00 1.82 N ATOM 1310 CA VAL B 4 1.562 2.677 2.968 1.00 1.66 C ATOM 1311 C VAL B 4 0.380 2.341 2.071 1.00 1.67 C ATOM 1312 O VAL B 4 -0.785 2.522 2.429 1.00 1.80 O ATOM 1313 CB VAL B 4 1.516 1.895 4.305 1.00 1.71 C ATOM 1314 CG1 VAL B 4 0.245 2.173 5.084 1.00 2.13 C ATOM 1315 CG2 VAL B 4 1.695 0.409 4.060 1.00 2.04 C ATOM 0 H VAL B 4 1.196 4.424 4.048 1.00 1.82 H new ATOM 0 HA VAL B 4 2.469 2.362 2.452 1.00 1.66 H new ATOM 0 HB VAL B 4 2.346 2.246 4.919 1.00 1.71 H new ATOM 0 HG11 VAL B 4 0.256 1.604 6.014 1.00 2.13 H new ATOM 0 HG12 VAL B 4 0.183 3.237 5.311 1.00 2.13 H new ATOM 0 HG13 VAL B 4 -0.619 1.878 4.488 1.00 2.13 H new ATOM 0 HG21 VAL B 4 1.660 -0.123 5.011 1.00 2.04 H new ATOM 0 HG22 VAL B 4 0.896 0.048 3.412 1.00 2.04 H new ATOM 0 HG23 VAL B 4 2.658 0.233 3.581 1.00 2.04 H new ATOM 1325 N ILE B 5 0.708 1.911 0.869 1.00 1.55 N ATOM 1326 CA ILE B 5 -0.297 1.551 -0.109 1.00 1.57 C ATOM 1327 C ILE B 5 -0.862 0.178 0.213 1.00 1.50 C ATOM 1328 O ILE B 5 -0.130 -0.810 0.222 1.00 1.31 O ATOM 1329 CB ILE B 5 0.293 1.534 -1.535 1.00 1.47 C ATOM 1330 CG1 ILE B 5 1.244 2.715 -1.739 1.00 1.55 C ATOM 1331 CG2 ILE B 5 -0.819 1.563 -2.575 1.00 1.58 C ATOM 1332 CD1 ILE B 5 2.157 2.555 -2.933 1.00 1.61 C ATOM 0 H ILE B 5 1.669 1.802 0.545 1.00 1.55 H new ATOM 0 HA ILE B 5 -1.088 2.299 -0.068 1.00 1.57 H new ATOM 0 HB ILE B 5 0.858 0.610 -1.659 1.00 1.47 H new ATOM 0 HG12 ILE B 5 0.658 3.626 -1.859 1.00 1.55 H new ATOM 0 HG13 ILE B 5 1.851 2.842 -0.842 1.00 1.55 H new ATOM 0 HG21 ILE B 5 -0.383 1.551 -3.574 1.00 1.58 H new ATOM 0 HG22 ILE B 5 -1.459 0.690 -2.447 1.00 1.58 H new ATOM 0 HG23 ILE B 5 -1.412 2.469 -2.449 1.00 1.58 H new ATOM 0 HD11 ILE B 5 2.803 3.429 -3.017 1.00 1.61 H new ATOM 0 HD12 ILE B 5 2.769 1.662 -2.806 1.00 1.61 H new ATOM 0 HD13 ILE B 5 1.558 2.459 -3.839 1.00 1.61 H new ATOM 1344 N ASP B 6 -2.148 0.119 0.507 1.00 1.74 N ATOM 1345 CA ASP B 6 -2.790 -1.146 0.835 1.00 1.77 C ATOM 1346 C ASP B 6 -3.052 -1.956 -0.411 1.00 1.63 C ATOM 1347 O ASP B 6 -3.946 -1.635 -1.196 1.00 1.75 O ATOM 1348 CB ASP B 6 -4.122 -0.930 1.544 1.00 2.16 C ATOM 1349 CG ASP B 6 -3.983 -0.227 2.880 1.00 2.37 C ATOM 1350 OD1 ASP B 6 -3.585 0.953 2.902 1.00 2.43 O ATOM 1351 OD2 ASP B 6 -4.269 -0.856 3.921 1.00 2.53 O ATOM 0 H ASP B 6 -2.769 0.928 0.526 1.00 1.74 H new ATOM 0 HA ASP B 6 -2.106 -1.680 1.495 1.00 1.77 H new ATOM 0 HB2 ASP B 6 -4.778 -0.345 0.900 1.00 2.16 H new ATOM 0 HB3 ASP B 6 -4.605 -1.895 1.698 1.00 2.16 H new ATOM 1356 N LEU B 7 -2.277 -2.998 -0.611 1.00 1.42 N ATOM 1357 CA LEU B 7 -2.484 -3.851 -1.758 1.00 1.32 C ATOM 1358 C LEU B 7 -2.954 -5.219 -1.290 1.00 1.37 C ATOM 1359 O LEU B 7 -3.001 -6.179 -2.056 1.00 1.42 O ATOM 1360 CB LEU B 7 -1.212 -3.970 -2.601 1.00 1.13 C ATOM 1361 CG LEU B 7 -1.386 -3.598 -4.076 1.00 1.41 C ATOM 1362 CD1 LEU B 7 -1.630 -2.104 -4.224 1.00 1.77 C ATOM 1363 CD2 LEU B 7 -0.171 -4.023 -4.885 1.00 1.70 C ATOM 0 H LEU B 7 -1.506 -3.273 -0.002 1.00 1.42 H new ATOM 0 HA LEU B 7 -3.250 -3.405 -2.393 1.00 1.32 H new ATOM 0 HB2 LEU B 7 -0.443 -3.330 -2.167 1.00 1.13 H new ATOM 0 HB3 LEU B 7 -0.846 -4.995 -2.539 1.00 1.13 H new ATOM 0 HG LEU B 7 -2.256 -4.129 -4.462 1.00 1.41 H new ATOM 0 HD11 LEU B 7 -1.751 -1.858 -5.279 1.00 1.77 H new ATOM 0 HD12 LEU B 7 -2.533 -1.827 -3.681 1.00 1.77 H new ATOM 0 HD13 LEU B 7 -0.780 -1.555 -3.819 1.00 1.77 H new ATOM 0 HD21 LEU B 7 -0.316 -3.749 -5.930 1.00 1.70 H new ATOM 0 HD22 LEU B 7 0.717 -3.523 -4.498 1.00 1.70 H new ATOM 0 HD23 LEU B 7 -0.042 -5.103 -4.807 1.00 1.70 H new ATOM 1375 N THR B 8 -3.299 -5.291 -0.014 1.00 1.52 N ATOM 1376 CA THR B 8 -3.781 -6.519 0.590 1.00 1.66 C ATOM 1377 C THR B 8 -5.302 -6.568 0.541 1.00 1.76 C ATOM 1378 O THR B 8 -5.932 -7.438 1.142 1.00 2.31 O ATOM 1379 CB THR B 8 -3.317 -6.606 2.052 1.00 2.06 C ATOM 1380 OG1 THR B 8 -3.779 -5.456 2.775 1.00 3.00 O ATOM 1381 CG2 THR B 8 -1.802 -6.666 2.128 1.00 2.55 C ATOM 0 H THR B 8 -3.252 -4.501 0.629 1.00 1.52 H new ATOM 0 HA THR B 8 -3.375 -7.362 0.030 1.00 1.66 H new ATOM 0 HB THR B 8 -3.731 -7.513 2.493 1.00 2.06 H new ATOM 0 HG1 THR B 8 -3.733 -5.635 3.737 1.00 3.00 H new ATOM 0 HG21 THR B 8 -1.492 -6.727 3.171 1.00 2.55 H new ATOM 0 HG22 THR B 8 -1.445 -7.545 1.591 1.00 2.55 H new ATOM 0 HG23 THR B 8 -1.379 -5.769 1.676 1.00 2.55 H new ATOM 1389 N ILE B 9 -5.880 -5.617 -0.180 1.00 1.81 N ATOM 1390 CA ILE B 9 -7.323 -5.514 -0.314 1.00 2.17 C ATOM 1391 C ILE B 9 -7.912 -6.761 -0.978 1.00 2.44 C ATOM 1392 O ILE B 9 -7.488 -7.178 -2.059 1.00 3.08 O ATOM 1393 CB ILE B 9 -7.723 -4.238 -1.098 1.00 2.73 C ATOM 1394 CG1 ILE B 9 -9.244 -4.138 -1.240 1.00 3.02 C ATOM 1395 CG2 ILE B 9 -7.051 -4.201 -2.465 1.00 3.38 C ATOM 1396 CD1 ILE B 9 -9.971 -4.022 0.084 1.00 3.74 C ATOM 0 H ILE B 9 -5.362 -4.899 -0.686 1.00 1.81 H new ATOM 0 HA ILE B 9 -7.739 -5.440 0.691 1.00 2.17 H new ATOM 0 HB ILE B 9 -7.377 -3.375 -0.529 1.00 2.73 H new ATOM 0 HG12 ILE B 9 -9.487 -3.272 -1.855 1.00 3.02 H new ATOM 0 HG13 ILE B 9 -9.610 -5.018 -1.770 1.00 3.02 H new ATOM 0 HG21 ILE B 9 -7.350 -3.295 -2.993 1.00 3.38 H new ATOM 0 HG22 ILE B 9 -5.968 -4.207 -2.339 1.00 3.38 H new ATOM 0 HG23 ILE B 9 -7.354 -5.074 -3.043 1.00 3.38 H new ATOM 0 HD11 ILE B 9 -11.044 -3.955 -0.095 1.00 3.74 H new ATOM 0 HD12 ILE B 9 -9.759 -4.900 0.694 1.00 3.74 H new ATOM 0 HD13 ILE B 9 -9.634 -3.127 0.607 1.00 3.74 H new ATOM 1408 N GLU B 10 -8.864 -7.369 -0.294 1.00 2.62 N ATOM 1409 CA GLU B 10 -9.534 -8.566 -0.778 1.00 3.41 C ATOM 1410 C GLU B 10 -10.993 -8.255 -1.097 1.00 3.70 C ATOM 1411 O GLU B 10 -11.602 -8.857 -1.987 1.00 4.27 O ATOM 1412 CB GLU B 10 -9.448 -9.683 0.276 1.00 4.14 C ATOM 1413 CG GLU B 10 -9.002 -9.208 1.659 1.00 4.97 C ATOM 1414 CD GLU B 10 -10.060 -8.392 2.382 1.00 5.74 C ATOM 1415 OE1 GLU B 10 -10.210 -7.196 2.067 1.00 6.22 O ATOM 1416 OE2 GLU B 10 -10.754 -8.945 3.266 1.00 6.12 O ATOM 0 H GLU B 10 -9.196 -7.047 0.615 1.00 2.62 H new ATOM 0 HA GLU B 10 -9.039 -8.904 -1.688 1.00 3.41 H new ATOM 0 HB2 GLU B 10 -10.425 -10.159 0.365 1.00 4.14 H new ATOM 0 HB3 GLU B 10 -8.753 -10.446 -0.075 1.00 4.14 H new ATOM 0 HG2 GLU B 10 -8.742 -10.074 2.267 1.00 4.97 H new ATOM 0 HG3 GLU B 10 -8.098 -8.608 1.556 1.00 4.97 H new ATOM 1423 N SER B 11 -11.540 -7.305 -0.362 1.00 3.75 N ATOM 1424 CA SER B 11 -12.919 -6.891 -0.534 1.00 4.38 C ATOM 1425 C SER B 11 -13.044 -5.883 -1.676 1.00 4.06 C ATOM 1426 O SER B 11 -12.054 -5.556 -2.333 1.00 3.95 O ATOM 1427 CB SER B 11 -13.435 -6.299 0.775 1.00 5.27 C ATOM 1428 OG SER B 11 -13.104 -7.141 1.871 1.00 5.71 O ATOM 0 H SER B 11 -11.041 -6.799 0.370 1.00 3.75 H new ATOM 0 HA SER B 11 -13.524 -7.759 -0.795 1.00 4.38 H new ATOM 0 HB2 SER B 11 -13.004 -5.309 0.927 1.00 5.27 H new ATOM 0 HB3 SER B 11 -14.516 -6.172 0.721 1.00 5.27 H new ATOM 0 HG SER B 11 -12.147 -7.061 2.068 1.00 5.71 H new ATOM 1434 N SER B 12 -14.256 -5.407 -1.922 1.00 4.44 N ATOM 1435 CA SER B 12 -14.493 -4.449 -2.995 1.00 4.71 C ATOM 1436 C SER B 12 -14.264 -3.014 -2.523 1.00 4.51 C ATOM 1437 O SER B 12 -13.927 -2.140 -3.320 1.00 4.87 O ATOM 1438 CB SER B 12 -15.914 -4.613 -3.530 1.00 5.75 C ATOM 1439 OG SER B 12 -16.283 -5.982 -3.559 1.00 6.23 O ATOM 0 H SER B 12 -15.090 -5.667 -1.395 1.00 4.44 H new ATOM 0 HA SER B 12 -13.781 -4.650 -3.795 1.00 4.71 H new ATOM 0 HB2 SER B 12 -16.611 -4.057 -2.903 1.00 5.75 H new ATOM 0 HB3 SER B 12 -15.981 -4.192 -4.533 1.00 5.75 H new ATOM 0 HG SER B 12 -17.197 -6.067 -3.903 1.00 6.23 H new ATOM 1445 N SER B 13 -14.446 -2.775 -1.231 1.00 4.36 N ATOM 1446 CA SER B 13 -14.259 -1.447 -0.668 1.00 4.58 C ATOM 1447 C SER B 13 -12.773 -1.096 -0.583 1.00 4.15 C ATOM 1448 O SER B 13 -12.047 -1.635 0.253 1.00 4.69 O ATOM 1449 CB SER B 13 -14.900 -1.382 0.716 1.00 5.38 C ATOM 1450 OG SER B 13 -15.506 -2.625 1.046 1.00 5.90 O ATOM 0 H SER B 13 -14.723 -3.485 -0.553 1.00 4.36 H new ATOM 0 HA SER B 13 -14.740 -0.719 -1.321 1.00 4.58 H new ATOM 0 HB2 SER B 13 -14.145 -1.130 1.461 1.00 5.38 H new ATOM 0 HB3 SER B 13 -15.648 -0.589 0.739 1.00 5.38 H new ATOM 0 HG SER B 13 -15.910 -2.566 1.937 1.00 5.90 H new ATOM 1456 N ASP B 14 -12.334 -0.200 -1.461 1.00 3.66 N ATOM 1457 CA ASP B 14 -10.937 0.231 -1.505 1.00 3.77 C ATOM 1458 C ASP B 14 -10.524 0.881 -0.180 1.00 3.52 C ATOM 1459 O ASP B 14 -11.320 1.569 0.463 1.00 3.73 O ATOM 1460 CB ASP B 14 -10.719 1.182 -2.699 1.00 4.22 C ATOM 1461 CG ASP B 14 -10.200 2.556 -2.313 1.00 5.09 C ATOM 1462 OD1 ASP B 14 -10.998 3.383 -1.823 1.00 5.62 O ATOM 1463 OD2 ASP B 14 -9.001 2.824 -2.525 1.00 5.48 O ATOM 0 H ASP B 14 -12.930 0.246 -2.158 1.00 3.66 H new ATOM 0 HA ASP B 14 -10.300 -0.642 -1.646 1.00 3.77 H new ATOM 0 HB2 ASP B 14 -10.015 0.721 -3.392 1.00 4.22 H new ATOM 0 HB3 ASP B 14 -11.662 1.299 -3.233 1.00 4.22 H new TER 1468 ASP B 14