USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1008 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: B 85 THR OG1 : rot -81:sc= -0.407 USER MOD Set 1.2: B 117 ASN : amide:sc= -7.01! C(o=-7.4!,f=-13!) USER MOD Set 2.1: A 45 TYR OH : rot 130:sc= 0.123 USER MOD Set 2.2: A 60 LYS NZ :NH3+ -177:sc= 0.13 (180deg=0.00158) USER MOD Set 3.1: A 51 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Set 3.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= -3.13! (180deg=-3.32!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 140:sc= -0.15 (180deg=-3.03!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.413 K(o=-0.41,f=-5.2!) USER MOD Single : A 41 GLN : amide:sc= -0.813 K(o=-0.81,f=-6.7!) USER MOD Single : A 46 SER OG : rot -42:sc= 0.464 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -137:sc= -0.0111 (180deg=-4.08!) USER MOD Single : A 55 THR OG1 : rot -44:sc= 1.15 USER MOD Single : A 59 TYR OH : rot 116:sc= 1.06 USER MOD Single : A 65 SER OG : rot 76:sc= 0.473 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : B 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0.0036 USER MOD Single : B 99 GLN : amide:sc= -0.0797 X(o=-0.08,f=-0.2) USER MOD Single : B 101 HIS : no HD1:sc= -4.55! C(o=-4.6!,f=-9.5!) USER MOD Single : B 102 LYS NZ :NH3+ -149:sc= 0.483 (180deg=-0.123) USER MOD Single : B 108 GLN : amide:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 113 CYS SG : rot 31:sc= 0.973 USER MOD Single : B 118 GLN : amide:sc= -8.63! C(o=-8.6!,f=-9!) USER MOD Single : B 120 SER OG : rot -170:sc= -0.558 USER MOD Single : B 125 SER OG : rot 140:sc= -0.172 USER MOD Single : B 127 ASN : amide:sc= 1.04 K(o=1,f=-0.0099) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.868 5.561 13.242 1.00 0.00 N ATOM 2 CA MET A 1 -11.070 4.090 13.235 1.00 0.00 C ATOM 3 C MET A 1 -9.955 3.386 12.469 1.00 0.00 C ATOM 4 O MET A 1 -9.476 3.893 11.450 1.00 0.00 O ATOM 5 CB MET A 1 -12.423 3.739 12.608 1.00 0.00 C ATOM 6 CG MET A 1 -13.607 3.984 13.531 1.00 0.00 C ATOM 7 SD MET A 1 -15.188 3.638 12.735 1.00 0.00 S ATOM 8 CE MET A 1 -16.328 4.044 14.056 1.00 0.00 C ATOM 0 H1 MET A 1 -11.641 6.015 13.770 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.960 5.785 13.697 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.862 5.915 12.264 1.00 0.00 H new ATOM 0 HA MET A 1 -11.052 3.748 14.270 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.555 4.325 11.699 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.415 2.690 12.312 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.507 3.359 14.419 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.593 5.021 13.867 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.351 3.881 13.717 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.126 3.409 14.919 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.201 5.089 14.337 1.00 0.00 H new ATOM 20 N LEU A 2 -9.551 2.217 12.975 1.00 0.00 N ATOM 21 CA LEU A 2 -8.494 1.418 12.352 1.00 0.00 C ATOM 22 C LEU A 2 -9.095 0.273 11.545 1.00 0.00 C ATOM 23 O LEU A 2 -10.029 -0.392 12.000 1.00 0.00 O ATOM 24 CB LEU A 2 -7.535 0.850 13.424 1.00 0.00 C ATOM 25 CG LEU A 2 -6.427 1.784 13.984 1.00 0.00 C ATOM 26 CD1 LEU A 2 -5.411 2.165 12.909 1.00 0.00 C ATOM 27 CD2 LEU A 2 -7.011 3.037 14.639 1.00 0.00 C ATOM 0 H LEU A 2 -9.944 1.802 13.820 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.931 2.068 11.683 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.139 0.508 14.264 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.048 -0.030 13.003 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.906 1.217 14.755 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.653 2.819 13.340 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.936 1.264 12.522 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.919 2.685 12.097 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.201 3.661 15.017 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.588 3.597 13.903 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.661 2.747 15.465 1.00 0.00 H new ATOM 39 N ILE A 3 -8.553 0.059 10.345 1.00 0.00 N ATOM 40 CA ILE A 3 -9.019 -1.010 9.451 1.00 0.00 C ATOM 41 C ILE A 3 -7.859 -1.597 8.643 1.00 0.00 C ATOM 42 O ILE A 3 -6.838 -0.932 8.441 1.00 0.00 O ATOM 43 CB ILE A 3 -10.155 -0.542 8.489 1.00 0.00 C ATOM 44 CG1 ILE A 3 -9.865 0.847 7.882 1.00 0.00 C ATOM 45 CG2 ILE A 3 -11.488 -0.533 9.229 1.00 0.00 C ATOM 46 CD1 ILE A 3 -10.276 0.976 6.431 1.00 0.00 C ATOM 0 H ILE A 3 -7.786 0.614 9.965 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.436 -1.784 10.095 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.204 -1.250 7.661 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.386 1.605 8.467 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.799 1.056 7.968 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.277 -0.205 8.553 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.712 -1.538 9.588 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.429 0.150 10.076 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.041 1.979 6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.736 0.242 5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.348 0.800 6.339 1.00 0.00 H new ATOM 58 N LYS A 4 -8.031 -2.842 8.185 1.00 0.00 N ATOM 59 CA LYS A 4 -6.996 -3.533 7.411 1.00 0.00 C ATOM 60 C LYS A 4 -7.492 -3.891 6.013 1.00 0.00 C ATOM 61 O LYS A 4 -8.542 -4.524 5.860 1.00 0.00 O ATOM 62 CB LYS A 4 -6.543 -4.807 8.136 1.00 0.00 C ATOM 63 CG LYS A 4 -5.806 -4.552 9.450 1.00 0.00 C ATOM 64 CD LYS A 4 -5.522 -5.848 10.206 1.00 0.00 C ATOM 65 CE LYS A 4 -6.663 -6.220 11.149 1.00 0.00 C ATOM 66 NZ LYS A 4 -6.385 -7.485 11.883 1.00 0.00 N1+ ATOM 0 H LYS A 4 -8.877 -3.391 8.337 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.151 -2.852 7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.417 -5.427 8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.893 -5.377 7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.867 -4.038 9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.402 -3.889 10.077 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.363 -6.657 9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.600 -5.740 10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.821 -5.413 11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.586 -6.326 10.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.183 -7.703 12.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.259 -8.261 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.518 -7.376 12.447 1.00 0.00 H new ATOM 80 N VAL A 5 -6.728 -3.471 4.998 1.00 0.00 N ATOM 81 CA VAL A 5 -7.064 -3.753 3.599 1.00 0.00 C ATOM 82 C VAL A 5 -6.187 -4.897 3.078 1.00 0.00 C ATOM 83 O VAL A 5 -5.010 -4.992 3.432 1.00 0.00 O ATOM 84 CB VAL A 5 -6.891 -2.499 2.686 1.00 0.00 C ATOM 85 CG1 VAL A 5 -7.434 -2.746 1.282 1.00 0.00 C ATOM 86 CG2 VAL A 5 -7.572 -1.279 3.292 1.00 0.00 C ATOM 0 H VAL A 5 -5.870 -2.933 5.121 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.115 -4.040 3.565 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.821 -2.307 2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.296 -1.851 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.899 -3.579 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.496 -2.985 1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.435 -0.421 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.637 -1.478 3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.133 -1.063 4.266 1.00 0.00 H new ATOM 96 N LYS A 6 -6.778 -5.749 2.236 1.00 0.00 N ATOM 97 CA LYS A 6 -6.068 -6.889 1.657 1.00 0.00 C ATOM 98 C LYS A 6 -5.837 -6.678 0.161 1.00 0.00 C ATOM 99 O LYS A 6 -6.781 -6.406 -0.589 1.00 0.00 O ATOM 100 CB LYS A 6 -6.862 -8.180 1.893 1.00 0.00 C ATOM 101 CG LYS A 6 -5.989 -9.410 2.102 1.00 0.00 C ATOM 102 CD LYS A 6 -6.828 -10.652 2.357 1.00 0.00 C ATOM 103 CE LYS A 6 -5.954 -11.876 2.583 1.00 0.00 C ATOM 104 NZ LYS A 6 -6.767 -13.098 2.835 1.00 0.00 N1+ ATOM 0 H LYS A 6 -7.751 -5.669 1.940 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.098 -6.975 2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.502 -8.048 2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.518 -8.353 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.363 -9.567 1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.319 -9.243 2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.463 -10.491 3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.489 -10.827 1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.319 -12.035 1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.292 -11.699 3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.135 -13.911 2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.354 -12.956 3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.380 -13.282 2.015 1.00 0.00 H new ATOM 118 N THR A 7 -4.573 -6.802 -0.256 1.00 0.00 N ATOM 119 CA THR A 7 -4.191 -6.633 -1.660 1.00 0.00 C ATOM 120 C THR A 7 -4.120 -7.988 -2.370 1.00 0.00 C ATOM 121 O THR A 7 -4.007 -9.034 -1.722 1.00 0.00 O ATOM 122 CB THR A 7 -2.830 -5.906 -1.799 1.00 0.00 C ATOM 123 OG1 THR A 7 -2.504 -5.205 -0.591 1.00 0.00 O ATOM 124 CG2 THR A 7 -2.866 -4.913 -2.948 1.00 0.00 C ATOM 0 H THR A 7 -3.793 -7.020 0.364 1.00 0.00 H new ATOM 0 HA THR A 7 -4.960 -6.019 -2.129 1.00 0.00 H new ATOM 0 HB THR A 7 -2.071 -6.663 -1.996 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.098 -5.827 0.048 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.900 -4.414 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.080 -5.440 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.644 -4.172 -2.764 1.00 0.00 H new ATOM 132 N LEU A 8 -4.167 -7.954 -3.713 1.00 0.00 N ATOM 133 CA LEU A 8 -4.124 -9.170 -4.547 1.00 0.00 C ATOM 134 C LEU A 8 -2.751 -9.868 -4.495 1.00 0.00 C ATOM 135 O LEU A 8 -2.621 -11.015 -4.931 1.00 0.00 O ATOM 136 CB LEU A 8 -4.480 -8.808 -5.997 1.00 0.00 C ATOM 137 CG LEU A 8 -5.062 -9.944 -6.850 1.00 0.00 C ATOM 138 CD1 LEU A 8 -6.119 -9.405 -7.800 1.00 0.00 C ATOM 139 CD2 LEU A 8 -3.961 -10.649 -7.632 1.00 0.00 C ATOM 0 H LEU A 8 -4.235 -7.089 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.854 -9.874 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.198 -7.988 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.582 -8.435 -6.489 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.528 -10.668 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.522 -10.223 -8.398 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.923 -8.944 -7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.671 -8.661 -8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.395 -11.450 -8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.466 -9.934 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.233 -11.068 -6.938 1.00 0.00 H new ATOM 151 N THR A 9 -1.744 -9.171 -3.952 1.00 0.00 N ATOM 152 CA THR A 9 -0.384 -9.714 -3.837 1.00 0.00 C ATOM 153 C THR A 9 -0.189 -10.478 -2.516 1.00 0.00 C ATOM 154 O THR A 9 0.790 -11.214 -2.364 1.00 0.00 O ATOM 155 CB THR A 9 0.686 -8.596 -3.936 1.00 0.00 C ATOM 156 OG1 THR A 9 0.176 -7.479 -4.678 1.00 0.00 O ATOM 157 CG2 THR A 9 1.953 -9.106 -4.615 1.00 0.00 C ATOM 0 H THR A 9 -1.847 -8.225 -3.584 1.00 0.00 H new ATOM 0 HA THR A 9 -0.257 -10.405 -4.670 1.00 0.00 H new ATOM 0 HB THR A 9 0.929 -8.283 -2.920 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.862 -6.781 -4.731 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.685 -8.301 -4.671 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.367 -9.934 -4.039 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.714 -9.449 -5.622 1.00 0.00 H new ATOM 165 N GLY A 10 -1.126 -10.295 -1.572 1.00 0.00 N ATOM 166 CA GLY A 10 -1.046 -10.966 -0.278 1.00 0.00 C ATOM 167 C GLY A 10 -0.391 -10.103 0.789 1.00 0.00 C ATOM 168 O GLY A 10 0.472 -10.577 1.533 1.00 0.00 O ATOM 0 H GLY A 10 -1.940 -9.691 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.049 -11.240 0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.482 -11.892 -0.388 1.00 0.00 H new ATOM 172 N LYS A 11 -0.811 -8.834 0.853 1.00 0.00 N ATOM 173 CA LYS A 11 -0.276 -7.871 1.819 1.00 0.00 C ATOM 174 C LYS A 11 -1.403 -7.041 2.427 1.00 0.00 C ATOM 175 O LYS A 11 -2.195 -6.436 1.700 1.00 0.00 O ATOM 176 CB LYS A 11 0.732 -6.947 1.132 1.00 0.00 C ATOM 177 CG LYS A 11 2.060 -6.852 1.859 1.00 0.00 C ATOM 178 CD LYS A 11 3.071 -6.052 1.058 1.00 0.00 C ATOM 179 CE LYS A 11 4.434 -6.066 1.722 1.00 0.00 C ATOM 180 NZ LYS A 11 5.449 -5.340 0.914 1.00 0.00 N1+ ATOM 0 H LYS A 11 -1.528 -8.448 0.239 1.00 0.00 H new ATOM 0 HA LYS A 11 0.224 -8.422 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.907 -7.304 0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.300 -5.950 1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.912 -6.384 2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.449 -7.854 2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.150 -6.464 0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.725 -5.024 0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.362 -5.610 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.756 -7.097 1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.330 -5.254 1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.635 -5.866 0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.093 -4.391 0.680 1.00 0.00 H new ATOM 194 N GLU A 12 -1.480 -7.025 3.763 1.00 0.00 N ATOM 195 CA GLU A 12 -2.504 -6.252 4.470 1.00 0.00 C ATOM 196 C GLU A 12 -1.980 -4.851 4.808 1.00 0.00 C ATOM 197 O GLU A 12 -1.064 -4.706 5.624 1.00 0.00 O ATOM 198 CB GLU A 12 -2.953 -6.980 5.747 1.00 0.00 C ATOM 199 CG GLU A 12 -3.848 -8.184 5.488 1.00 0.00 C ATOM 200 CD GLU A 12 -4.293 -8.865 6.768 1.00 0.00 C ATOM 201 OE1 GLU A 12 -5.347 -8.476 7.313 1.00 0.00 O1- ATOM 202 OE2 GLU A 12 -3.585 -9.787 7.228 1.00 0.00 O ATOM 0 H GLU A 12 -0.845 -7.539 4.374 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.368 -6.151 3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.070 -7.307 6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.484 -6.276 6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.726 -7.865 4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.314 -8.902 4.865 1.00 0.00 H new ATOM 209 N ILE A 13 -2.591 -3.828 4.187 1.00 0.00 N ATOM 210 CA ILE A 13 -2.210 -2.420 4.394 1.00 0.00 C ATOM 211 C ILE A 13 -2.987 -1.867 5.605 1.00 0.00 C ATOM 212 O ILE A 13 -4.156 -2.212 5.802 1.00 0.00 O ATOM 213 CB ILE A 13 -2.553 -1.566 3.134 1.00 0.00 C ATOM 214 CG1 ILE A 13 -1.770 -2.088 1.913 1.00 0.00 C ATOM 215 CG2 ILE A 13 -2.272 -0.072 3.363 1.00 0.00 C ATOM 216 CD1 ILE A 13 -2.503 -1.919 0.593 1.00 0.00 C ATOM 0 H ILE A 13 -3.361 -3.953 3.529 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.136 -2.366 4.572 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.621 -1.667 2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.815 -1.566 1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.548 -3.145 2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.524 0.488 2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.877 0.289 4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.216 0.068 3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.888 -2.310 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.446 -2.464 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.702 -0.861 0.420 1.00 0.00 H new ATOM 228 N GLU A 14 -2.333 -1.016 6.401 1.00 0.00 N ATOM 229 CA GLU A 14 -2.959 -0.431 7.589 1.00 0.00 C ATOM 230 C GLU A 14 -3.321 1.038 7.369 1.00 0.00 C ATOM 231 O GLU A 14 -2.451 1.860 7.064 1.00 0.00 O ATOM 232 CB GLU A 14 -2.027 -0.573 8.796 1.00 0.00 C ATOM 233 CG GLU A 14 -2.044 -1.959 9.422 1.00 0.00 C ATOM 234 CD GLU A 14 -1.114 -2.072 10.614 1.00 0.00 C ATOM 235 OE1 GLU A 14 0.069 -2.423 10.413 1.00 0.00 O1- ATOM 236 OE2 GLU A 14 -1.567 -1.811 11.747 1.00 0.00 O ATOM 0 H GLU A 14 -1.370 -0.717 6.244 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.884 -0.974 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.009 -0.336 8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.310 0.160 9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.060 -2.200 9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.758 -2.696 8.672 1.00 0.00 H new ATOM 243 N ILE A 15 -4.614 1.357 7.526 1.00 0.00 N ATOM 244 CA ILE A 15 -5.110 2.731 7.353 1.00 0.00 C ATOM 245 C ILE A 15 -6.090 3.128 8.447 1.00 0.00 C ATOM 246 O ILE A 15 -6.629 2.271 9.157 1.00 0.00 O ATOM 247 CB ILE A 15 -5.801 2.986 5.985 1.00 0.00 C ATOM 248 CG1 ILE A 15 -6.404 1.705 5.372 1.00 0.00 C ATOM 249 CG2 ILE A 15 -4.818 3.642 5.041 1.00 0.00 C ATOM 250 CD1 ILE A 15 -7.588 1.965 4.456 1.00 0.00 C ATOM 0 H ILE A 15 -5.337 0.681 7.773 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.209 3.341 7.406 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.643 3.657 6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.630 1.182 4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.718 1.041 6.177 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.301 3.822 4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.485 4.590 5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.958 2.987 4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.959 1.018 4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.381 2.460 5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.275 2.604 3.630 1.00 0.00 H new ATOM 262 N ASP A 16 -6.313 4.443 8.566 1.00 0.00 N ATOM 263 CA ASP A 16 -7.237 4.984 9.550 1.00 0.00 C ATOM 264 C ASP A 16 -8.236 5.949 8.899 1.00 0.00 C ATOM 265 O ASP A 16 -7.857 7.025 8.423 1.00 0.00 O ATOM 266 CB ASP A 16 -6.482 5.665 10.712 1.00 0.00 C ATOM 267 CG ASP A 16 -5.479 6.721 10.261 1.00 0.00 C ATOM 268 OD1 ASP A 16 -5.874 7.900 10.138 1.00 0.00 O ATOM 269 OD2 ASP A 16 -4.304 6.366 10.033 1.00 0.00 O1- ATOM 0 H ASP A 16 -5.860 5.149 7.986 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.802 4.150 9.966 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.207 6.129 11.381 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.958 4.903 11.288 1.00 0.00 H new ATOM 274 N ILE A 17 -9.512 5.542 8.879 1.00 0.00 N ATOM 275 CA ILE A 17 -10.591 6.353 8.293 1.00 0.00 C ATOM 276 C ILE A 17 -11.907 6.169 9.062 1.00 0.00 C ATOM 277 O ILE A 17 -12.067 5.196 9.806 1.00 0.00 O ATOM 278 CB ILE A 17 -10.821 6.044 6.775 1.00 0.00 C ATOM 279 CG1 ILE A 17 -10.874 4.530 6.481 1.00 0.00 C ATOM 280 CG2 ILE A 17 -9.739 6.703 5.931 1.00 0.00 C ATOM 281 CD1 ILE A 17 -12.274 3.950 6.522 1.00 0.00 C ATOM 0 H ILE A 17 -9.825 4.651 9.264 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.267 7.390 8.377 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.794 6.459 6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.442 4.344 5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.252 4.006 7.206 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.912 6.479 4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.767 7.782 6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.763 6.320 6.228 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.232 2.882 6.306 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.702 4.103 7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.896 4.447 5.777 1.00 0.00 H new ATOM 293 N GLU A 18 -12.838 7.111 8.868 1.00 0.00 N ATOM 294 CA GLU A 18 -14.146 7.066 9.528 1.00 0.00 C ATOM 295 C GLU A 18 -15.209 6.451 8.598 1.00 0.00 C ATOM 296 O GLU A 18 -15.021 6.457 7.378 1.00 0.00 O ATOM 297 CB GLU A 18 -14.576 8.475 9.954 1.00 0.00 C ATOM 298 CG GLU A 18 -13.835 9.003 11.173 1.00 0.00 C ATOM 299 CD GLU A 18 -14.283 10.397 11.568 1.00 0.00 C ATOM 300 OE1 GLU A 18 -15.229 10.509 12.376 1.00 0.00 O1- ATOM 301 OE2 GLU A 18 -13.688 11.375 11.070 1.00 0.00 O ATOM 0 H GLU A 18 -12.707 7.917 8.256 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.057 6.438 10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.419 9.160 9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.645 8.470 10.165 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.991 8.324 12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.765 9.014 10.967 1.00 0.00 H new ATOM 308 N PRO A 19 -16.350 5.907 9.143 1.00 0.00 N ATOM 309 CA PRO A 19 -17.418 5.299 8.314 1.00 0.00 C ATOM 310 C PRO A 19 -18.220 6.326 7.502 1.00 0.00 C ATOM 311 O PRO A 19 -18.953 5.956 6.579 1.00 0.00 O ATOM 312 CB PRO A 19 -18.341 4.611 9.338 1.00 0.00 C ATOM 313 CG PRO A 19 -17.592 4.619 10.627 1.00 0.00 C ATOM 314 CD PRO A 19 -16.700 5.823 10.580 1.00 0.00 C ATOM 0 HA PRO A 19 -16.990 4.624 7.573 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -19.287 5.144 9.432 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.578 3.593 9.029 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.275 4.673 11.475 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.009 3.706 10.745 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -17.212 6.721 10.926 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.817 5.698 11.206 1.00 0.00 H new ATOM 322 N THR A 20 -18.066 7.611 7.854 1.00 0.00 N ATOM 323 CA THR A 20 -18.771 8.710 7.174 1.00 0.00 C ATOM 324 C THR A 20 -18.006 9.212 5.943 1.00 0.00 C ATOM 325 O THR A 20 -18.510 10.052 5.191 1.00 0.00 O ATOM 326 CB THR A 20 -19.012 9.899 8.129 1.00 0.00 C ATOM 327 OG1 THR A 20 -17.789 10.270 8.775 1.00 0.00 O ATOM 328 CG2 THR A 20 -20.059 9.552 9.177 1.00 0.00 C ATOM 0 H THR A 20 -17.455 7.917 8.611 1.00 0.00 H new ATOM 0 HA THR A 20 -19.728 8.301 6.850 1.00 0.00 H new ATOM 0 HB THR A 20 -19.378 10.738 7.537 1.00 0.00 H new ATOM 0 HG1 THR A 20 -17.953 11.026 9.377 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.210 10.406 9.837 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.999 9.304 8.684 1.00 0.00 H new ATOM 0 HG23 THR A 20 -19.719 8.697 9.762 1.00 0.00 H new ATOM 336 N ASP A 21 -16.790 8.682 5.744 1.00 0.00 N ATOM 337 CA ASP A 21 -15.937 9.058 4.611 1.00 0.00 C ATOM 338 C ASP A 21 -16.347 8.323 3.331 1.00 0.00 C ATOM 339 O ASP A 21 -16.969 7.258 3.391 1.00 0.00 O ATOM 340 CB ASP A 21 -14.466 8.769 4.934 1.00 0.00 C ATOM 341 CG ASP A 21 -13.881 9.760 5.921 1.00 0.00 C ATOM 342 OD1 ASP A 21 -13.387 10.817 5.477 1.00 0.00 O1- ATOM 343 OD2 ASP A 21 -13.916 9.477 7.137 1.00 0.00 O ATOM 0 H ASP A 21 -16.374 7.985 6.361 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.064 10.127 4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.378 7.762 5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.884 8.793 4.013 1.00 0.00 H new ATOM 348 N LYS A 22 -15.986 8.907 2.182 1.00 0.00 N ATOM 349 CA LYS A 22 -16.309 8.335 0.868 1.00 0.00 C ATOM 350 C LYS A 22 -15.247 7.334 0.418 1.00 0.00 C ATOM 351 O LYS A 22 -14.065 7.481 0.749 1.00 0.00 O ATOM 352 CB LYS A 22 -16.441 9.449 -0.180 1.00 0.00 C ATOM 353 CG LYS A 22 -17.707 10.291 -0.046 1.00 0.00 C ATOM 354 CD LYS A 22 -18.849 9.730 -0.886 1.00 0.00 C ATOM 355 CE LYS A 22 -20.124 10.545 -0.724 1.00 0.00 C ATOM 356 NZ LYS A 22 -20.043 11.862 -1.419 1.00 0.00 N1+ ATOM 0 H LYS A 22 -15.466 9.783 2.136 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.259 7.809 0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.573 10.105 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.420 9.001 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.010 10.329 1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.497 11.315 -0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.556 9.718 -1.936 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.039 8.696 -0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.968 9.979 -1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -20.317 10.707 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.933 12.382 -1.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.255 12.414 -1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.885 11.709 -2.435 1.00 0.00 H new ATOM 370 N VAL A 23 -15.686 6.320 -0.349 1.00 0.00 N ATOM 371 CA VAL A 23 -14.792 5.264 -0.877 1.00 0.00 C ATOM 372 C VAL A 23 -13.629 5.868 -1.687 1.00 0.00 C ATOM 373 O VAL A 23 -12.491 5.409 -1.572 1.00 0.00 O ATOM 374 CB VAL A 23 -15.549 4.230 -1.772 1.00 0.00 C ATOM 375 CG1 VAL A 23 -14.737 2.945 -1.934 1.00 0.00 C ATOM 376 CG2 VAL A 23 -16.929 3.894 -1.217 1.00 0.00 C ATOM 0 H VAL A 23 -16.662 6.206 -0.621 1.00 0.00 H new ATOM 0 HA VAL A 23 -14.400 4.742 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.679 4.699 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -15.287 2.243 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.780 3.176 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.564 2.498 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -17.418 3.172 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.826 3.468 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -17.531 4.801 -1.164 1.00 0.00 H new ATOM 386 N GLU A 24 -13.929 6.911 -2.481 1.00 0.00 N ATOM 387 CA GLU A 24 -12.919 7.594 -3.316 1.00 0.00 C ATOM 388 C GLU A 24 -11.810 8.246 -2.469 1.00 0.00 C ATOM 389 O GLU A 24 -10.661 8.351 -2.917 1.00 0.00 O ATOM 390 CB GLU A 24 -13.575 8.641 -4.245 1.00 0.00 C ATOM 391 CG GLU A 24 -14.533 9.617 -3.561 1.00 0.00 C ATOM 392 CD GLU A 24 -15.048 10.687 -4.504 1.00 0.00 C ATOM 393 OE1 GLU A 24 -16.097 10.458 -5.145 1.00 0.00 O ATOM 394 OE2 GLU A 24 -14.404 11.751 -4.603 1.00 0.00 O1- ATOM 0 H GLU A 24 -14.867 7.303 -2.564 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.453 6.827 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.786 9.214 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.118 8.115 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.377 9.063 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.024 10.092 -2.722 1.00 0.00 H new ATOM 401 N ARG A 25 -12.165 8.663 -1.241 1.00 0.00 N ATOM 402 CA ARG A 25 -11.207 9.288 -0.319 1.00 0.00 C ATOM 403 C ARG A 25 -10.232 8.237 0.224 1.00 0.00 C ATOM 404 O ARG A 25 -9.029 8.492 0.373 1.00 0.00 O ATOM 405 CB ARG A 25 -11.949 9.985 0.834 1.00 0.00 C ATOM 406 CG ARG A 25 -11.234 11.216 1.390 1.00 0.00 C ATOM 407 CD ARG A 25 -11.585 12.477 0.609 1.00 0.00 C ATOM 408 NE ARG A 25 -10.903 13.662 1.141 1.00 0.00 N ATOM 409 CZ ARG A 25 -11.051 14.907 0.664 1.00 0.00 C ATOM 410 NH1 ARG A 25 -11.857 15.159 -0.367 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 -10.383 15.906 1.224 1.00 0.00 N ATOM 0 H ARG A 25 -13.110 8.577 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.637 10.040 -0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.939 10.280 0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -12.095 9.268 1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.504 11.351 2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.156 11.056 1.356 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.313 12.342 -0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.663 12.635 0.641 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.271 13.530 1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.375 14.398 -0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.956 16.112 -0.715 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.761 15.725 2.012 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.491 16.855 0.867 1.00 0.00 H new ATOM 425 N ILE A 26 -10.772 7.046 0.504 1.00 0.00 N ATOM 426 CA ILE A 26 -9.981 5.913 0.987 1.00 0.00 C ATOM 427 C ILE A 26 -9.018 5.448 -0.124 1.00 0.00 C ATOM 428 O ILE A 26 -7.899 5.012 0.155 1.00 0.00 O ATOM 429 CB ILE A 26 -10.900 4.736 1.456 1.00 0.00 C ATOM 430 CG1 ILE A 26 -11.892 5.230 2.530 1.00 0.00 C ATOM 431 CG2 ILE A 26 -10.070 3.568 2.007 1.00 0.00 C ATOM 432 CD1 ILE A 26 -13.229 4.506 2.539 1.00 0.00 C ATOM 0 H ILE A 26 -11.766 6.842 0.402 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.401 6.235 1.852 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.456 4.379 0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.429 5.122 3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.071 6.294 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.736 2.766 2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.402 3.198 1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.482 3.910 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.861 4.919 3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.719 4.635 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.067 3.444 2.724 1.00 0.00 H new ATOM 444 N LYS A 27 -9.469 5.590 -1.387 1.00 0.00 N ATOM 445 CA LYS A 27 -8.681 5.200 -2.571 1.00 0.00 C ATOM 446 C LYS A 27 -7.468 6.113 -2.774 1.00 0.00 C ATOM 447 O LYS A 27 -6.376 5.628 -3.086 1.00 0.00 O ATOM 448 CB LYS A 27 -9.547 5.214 -3.840 1.00 0.00 C ATOM 449 CG LYS A 27 -10.784 4.336 -3.758 1.00 0.00 C ATOM 450 CD LYS A 27 -11.396 4.090 -5.128 1.00 0.00 C ATOM 451 CE LYS A 27 -12.283 2.858 -5.120 1.00 0.00 C ATOM 452 NZ LYS A 27 -12.878 2.591 -6.459 1.00 0.00 N1+ ATOM 0 H LYS A 27 -10.385 5.977 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.324 4.186 -2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.855 6.239 -4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.940 4.889 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.522 3.382 -3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.522 4.808 -3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.980 4.960 -5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.604 3.966 -5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.700 1.993 -4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.080 2.990 -4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.476 1.742 -6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.456 3.405 -6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.118 2.439 -7.153 1.00 0.00 H new ATOM 466 N GLU A 28 -7.659 7.438 -2.595 1.00 0.00 N ATOM 467 CA GLU A 28 -6.557 8.408 -2.745 1.00 0.00 C ATOM 468 C GLU A 28 -5.502 8.213 -1.638 1.00 0.00 C ATOM 469 O GLU A 28 -4.300 8.361 -1.884 1.00 0.00 O ATOM 470 CB GLU A 28 -7.077 9.864 -2.785 1.00 0.00 C ATOM 471 CG GLU A 28 -7.769 10.354 -1.517 1.00 0.00 C ATOM 472 CD GLU A 28 -8.503 11.664 -1.721 1.00 0.00 C ATOM 473 OE1 GLU A 28 -7.881 12.729 -1.526 1.00 0.00 O1- ATOM 474 OE2 GLU A 28 -9.699 11.626 -2.075 1.00 0.00 O ATOM 0 H GLU A 28 -8.557 7.855 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.075 8.218 -3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.236 10.525 -2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.774 9.959 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.475 9.596 -1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.028 10.477 -0.727 1.00 0.00 H new ATOM 481 N ARG A 29 -5.974 7.863 -0.421 1.00 0.00 N ATOM 482 CA ARG A 29 -5.082 7.595 0.720 1.00 0.00 C ATOM 483 C ARG A 29 -4.181 6.387 0.403 1.00 0.00 C ATOM 484 O ARG A 29 -2.971 6.402 0.678 1.00 0.00 O ATOM 485 CB ARG A 29 -5.909 7.334 1.991 1.00 0.00 C ATOM 486 CG ARG A 29 -5.178 7.644 3.301 1.00 0.00 C ATOM 487 CD ARG A 29 -5.317 9.108 3.708 1.00 0.00 C ATOM 488 NE ARG A 29 -6.668 9.428 4.186 1.00 0.00 N ATOM 489 CZ ARG A 29 -7.058 10.634 4.623 1.00 0.00 C ATOM 490 NH1 ARG A 29 -6.213 11.663 4.656 1.00 0.00 N1+ ATOM 491 NH2 ARG A 29 -8.308 10.809 5.032 1.00 0.00 N ATOM 0 H ARG A 29 -6.966 7.761 -0.208 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.452 8.467 0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.818 7.933 1.947 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.217 6.288 2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.573 7.009 4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.122 7.398 3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.594 9.335 4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.075 9.744 2.856 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.360 8.679 4.186 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.249 11.542 4.345 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.530 12.572 4.992 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.965 10.029 5.013 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.612 11.724 5.366 1.00 0.00 H new ATOM 505 N VAL A 30 -4.791 5.353 -0.209 1.00 0.00 N ATOM 506 CA VAL A 30 -4.073 4.135 -0.618 1.00 0.00 C ATOM 507 C VAL A 30 -2.978 4.501 -1.639 1.00 0.00 C ATOM 508 O VAL A 30 -1.846 4.020 -1.544 1.00 0.00 O ATOM 509 CB VAL A 30 -5.048 3.065 -1.216 1.00 0.00 C ATOM 510 CG1 VAL A 30 -4.316 1.799 -1.654 1.00 0.00 C ATOM 511 CG2 VAL A 30 -6.136 2.695 -0.214 1.00 0.00 C ATOM 0 H VAL A 30 -5.786 5.340 -0.431 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.612 3.695 0.266 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.503 3.520 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.033 1.087 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.580 2.050 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.812 1.355 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.799 1.951 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.678 2.285 0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.710 3.585 0.044 1.00 0.00 H new ATOM 521 N GLU A 31 -3.330 5.394 -2.586 1.00 0.00 N ATOM 522 CA GLU A 31 -2.402 5.876 -3.628 1.00 0.00 C ATOM 523 C GLU A 31 -1.155 6.519 -2.999 1.00 0.00 C ATOM 524 O GLU A 31 -0.039 6.339 -3.491 1.00 0.00 O ATOM 525 CB GLU A 31 -3.128 6.893 -4.536 1.00 0.00 C ATOM 526 CG GLU A 31 -2.283 7.437 -5.689 1.00 0.00 C ATOM 527 CD GLU A 31 -2.966 8.554 -6.456 1.00 0.00 C ATOM 528 OE1 GLU A 31 -3.288 9.595 -5.840 1.00 0.00 O1- ATOM 529 OE2 GLU A 31 -3.174 8.393 -7.677 1.00 0.00 O ATOM 0 H GLU A 31 -4.263 5.800 -2.650 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.076 5.025 -4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.019 6.420 -4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.465 7.730 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.335 7.803 -5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.050 6.623 -6.376 1.00 0.00 H new ATOM 536 N GLU A 32 -1.374 7.265 -1.908 1.00 0.00 N ATOM 537 CA GLU A 32 -0.294 7.951 -1.178 1.00 0.00 C ATOM 538 C GLU A 32 0.674 6.970 -0.508 1.00 0.00 C ATOM 539 O GLU A 32 1.853 7.286 -0.324 1.00 0.00 O ATOM 540 CB GLU A 32 -0.880 8.886 -0.115 1.00 0.00 C ATOM 541 CG GLU A 32 -1.681 10.041 -0.691 1.00 0.00 C ATOM 542 CD GLU A 32 -1.865 11.176 0.296 1.00 0.00 C ATOM 543 OE1 GLU A 32 -1.006 12.083 0.325 1.00 0.00 O ATOM 544 OE2 GLU A 32 -2.869 11.161 1.040 1.00 0.00 O1- ATOM 0 H GLU A 32 -2.300 7.411 -1.506 1.00 0.00 H new ATOM 0 HA GLU A 32 0.267 8.526 -1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.521 8.308 0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.068 9.286 0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.178 10.418 -1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.659 9.678 -1.007 1.00 0.00 H new ATOM 551 N LYS A 33 0.165 5.783 -0.147 1.00 0.00 N ATOM 552 CA LYS A 33 0.985 4.753 0.515 1.00 0.00 C ATOM 553 C LYS A 33 1.818 3.912 -0.466 1.00 0.00 C ATOM 554 O LYS A 33 3.030 3.769 -0.279 1.00 0.00 O ATOM 555 CB LYS A 33 0.108 3.828 1.352 1.00 0.00 C ATOM 556 CG LYS A 33 0.123 4.145 2.835 1.00 0.00 C ATOM 557 CD LYS A 33 -0.608 3.067 3.610 1.00 0.00 C ATOM 558 CE LYS A 33 -0.822 3.449 5.065 1.00 0.00 C ATOM 559 NZ LYS A 33 -1.810 4.556 5.218 1.00 0.00 N1+ ATOM 0 H LYS A 33 -0.806 5.511 -0.301 1.00 0.00 H new ATOM 0 HA LYS A 33 1.685 5.292 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.918 3.888 0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.439 2.800 1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.152 4.222 3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.347 5.112 3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.573 2.876 3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.040 2.138 3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.167 2.577 5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.129 3.750 5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.417 4.368 6.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.306 5.455 5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.397 4.618 4.362 1.00 0.00 H new ATOM 573 N GLU A 34 1.169 3.362 -1.504 1.00 0.00 N ATOM 574 CA GLU A 34 1.852 2.507 -2.488 1.00 0.00 C ATOM 575 C GLU A 34 2.380 3.286 -3.693 1.00 0.00 C ATOM 576 O GLU A 34 3.457 2.967 -4.209 1.00 0.00 O ATOM 577 CB GLU A 34 0.915 1.395 -2.961 1.00 0.00 C ATOM 578 CG GLU A 34 1.224 0.040 -2.345 1.00 0.00 C ATOM 579 CD GLU A 34 0.261 -1.040 -2.800 1.00 0.00 C ATOM 580 OE1 GLU A 34 -0.780 -1.225 -2.135 1.00 0.00 O1- ATOM 581 OE2 GLU A 34 0.549 -1.700 -3.820 1.00 0.00 O ATOM 0 H GLU A 34 0.174 3.494 -1.684 1.00 0.00 H new ATOM 0 HA GLU A 34 2.716 2.078 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.112 1.669 -2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.978 1.315 -4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.241 -0.251 -2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.186 0.122 -1.259 1.00 0.00 H new ATOM 588 N GLY A 35 1.624 4.290 -4.143 1.00 0.00 N ATOM 589 CA GLY A 35 2.037 5.087 -5.293 1.00 0.00 C ATOM 590 C GLY A 35 1.360 4.651 -6.585 1.00 0.00 C ATOM 591 O GLY A 35 1.935 4.797 -7.667 1.00 0.00 O ATOM 0 H GLY A 35 0.732 4.566 -3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.808 6.136 -5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.118 5.013 -5.411 1.00 0.00 H new ATOM 595 N ILE A 36 0.137 4.116 -6.463 1.00 0.00 N ATOM 596 CA ILE A 36 -0.637 3.651 -7.620 1.00 0.00 C ATOM 597 C ILE A 36 -1.962 4.436 -7.707 1.00 0.00 C ATOM 598 O ILE A 36 -2.626 4.613 -6.683 1.00 0.00 O ATOM 599 CB ILE A 36 -0.925 2.114 -7.544 1.00 0.00 C ATOM 600 CG1 ILE A 36 0.388 1.329 -7.359 1.00 0.00 C ATOM 601 CG2 ILE A 36 -1.661 1.614 -8.798 1.00 0.00 C ATOM 602 CD1 ILE A 36 0.216 -0.014 -6.675 1.00 0.00 C ATOM 0 H ILE A 36 -0.339 3.995 -5.569 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.044 3.830 -8.517 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.570 1.944 -6.682 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.845 1.171 -8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.082 1.935 -6.777 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.844 0.543 -8.710 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.612 2.138 -8.895 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.050 1.806 -9.680 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.186 -0.502 -6.583 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.211 0.135 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.451 -0.641 -7.267 1.00 0.00 H new ATOM 614 N PRO A 37 -2.378 4.907 -8.929 1.00 0.00 N ATOM 615 CA PRO A 37 -3.632 5.680 -9.115 1.00 0.00 C ATOM 616 C PRO A 37 -4.892 4.953 -8.601 1.00 0.00 C ATOM 617 O PRO A 37 -4.950 3.721 -8.652 1.00 0.00 O ATOM 618 CB PRO A 37 -3.720 5.872 -10.640 1.00 0.00 C ATOM 619 CG PRO A 37 -2.784 4.867 -11.217 1.00 0.00 C ATOM 620 CD PRO A 37 -1.675 4.738 -10.224 1.00 0.00 C ATOM 0 HA PRO A 37 -3.601 6.609 -8.545 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.737 5.714 -10.998 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.435 6.885 -10.926 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.283 3.911 -11.374 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.407 5.193 -12.186 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.180 3.769 -10.293 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.909 5.499 -10.371 1.00 0.00 H new ATOM 628 N PRO A 38 -5.920 5.707 -8.097 1.00 0.00 N ATOM 629 CA PRO A 38 -7.173 5.110 -7.582 1.00 0.00 C ATOM 630 C PRO A 38 -8.037 4.460 -8.675 1.00 0.00 C ATOM 631 O PRO A 38 -8.779 3.512 -8.402 1.00 0.00 O ATOM 632 CB PRO A 38 -7.907 6.301 -6.949 1.00 0.00 C ATOM 633 CG PRO A 38 -7.359 7.511 -7.624 1.00 0.00 C ATOM 634 CD PRO A 38 -5.934 7.188 -7.973 1.00 0.00 C ATOM 0 HA PRO A 38 -6.965 4.297 -6.887 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.984 6.222 -7.098 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.736 6.341 -5.873 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.934 7.752 -8.518 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.412 8.380 -6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.632 7.669 -8.903 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.246 7.530 -7.200 1.00 0.00 H new ATOM 642 N GLN A 39 -7.916 4.971 -9.913 1.00 0.00 N ATOM 643 CA GLN A 39 -8.678 4.457 -11.068 1.00 0.00 C ATOM 644 C GLN A 39 -8.356 2.986 -11.363 1.00 0.00 C ATOM 645 O GLN A 39 -9.195 2.258 -11.901 1.00 0.00 O ATOM 646 CB GLN A 39 -8.395 5.306 -12.313 1.00 0.00 C ATOM 647 CG GLN A 39 -9.044 6.682 -12.282 1.00 0.00 C ATOM 648 CD GLN A 39 -8.746 7.495 -13.526 1.00 0.00 C ATOM 649 OE1 GLN A 39 -7.759 8.229 -13.582 1.00 0.00 O ATOM 650 NE2 GLN A 39 -9.602 7.370 -14.535 1.00 0.00 N ATOM 0 H GLN A 39 -7.293 5.746 -10.142 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.735 4.523 -10.811 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.317 5.426 -12.421 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.746 4.769 -13.194 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.123 6.568 -12.176 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.693 7.225 -11.405 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.407 6.750 -14.447 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.453 7.894 -15.398 1.00 0.00 H new ATOM 659 N GLN A 40 -7.136 2.567 -11.003 1.00 0.00 N ATOM 660 CA GLN A 40 -6.685 1.186 -11.205 1.00 0.00 C ATOM 661 C GLN A 40 -6.975 0.320 -9.969 1.00 0.00 C ATOM 662 O GLN A 40 -6.752 -0.898 -9.990 1.00 0.00 O ATOM 663 CB GLN A 40 -5.184 1.157 -11.524 1.00 0.00 C ATOM 664 CG GLN A 40 -4.837 1.695 -12.905 1.00 0.00 C ATOM 665 CD GLN A 40 -3.375 1.498 -13.257 1.00 0.00 C ATOM 666 OE1 GLN A 40 -2.537 2.356 -12.979 1.00 0.00 O ATOM 667 NE2 GLN A 40 -3.063 0.365 -13.874 1.00 0.00 N ATOM 0 H GLN A 40 -6.439 3.171 -10.567 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.239 0.773 -12.048 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.652 1.741 -10.773 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.825 0.131 -11.444 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -5.457 1.197 -13.651 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.077 2.757 -12.948 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.791 -0.318 -14.085 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.096 0.177 -14.137 1.00 0.00 H new ATOM 676 N GLN A 41 -7.482 0.958 -8.903 1.00 0.00 N ATOM 677 CA GLN A 41 -7.807 0.264 -7.654 1.00 0.00 C ATOM 678 C GLN A 41 -9.308 0.282 -7.389 1.00 0.00 C ATOM 679 O GLN A 41 -9.968 1.306 -7.593 1.00 0.00 O ATOM 680 CB GLN A 41 -7.084 0.913 -6.468 1.00 0.00 C ATOM 681 CG GLN A 41 -5.572 0.740 -6.484 1.00 0.00 C ATOM 682 CD GLN A 41 -4.934 1.134 -5.167 1.00 0.00 C ATOM 683 OE1 GLN A 41 -4.730 0.296 -4.289 1.00 0.00 O ATOM 684 NE2 GLN A 41 -4.626 2.417 -5.018 1.00 0.00 N ATOM 0 H GLN A 41 -7.676 1.959 -8.885 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.476 -0.769 -7.762 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.316 1.978 -6.455 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.476 0.490 -5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.330 -0.299 -6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.148 1.344 -7.286 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.813 3.077 -5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.203 2.742 -4.149 1.00 0.00 H new ATOM 693 N ARG A 42 -9.839 -0.860 -6.937 1.00 0.00 N ATOM 694 CA ARG A 42 -11.264 -0.985 -6.619 1.00 0.00 C ATOM 695 C ARG A 42 -11.448 -1.675 -5.272 1.00 0.00 C ATOM 696 O ARG A 42 -10.828 -2.709 -5.009 1.00 0.00 O ATOM 697 CB ARG A 42 -12.002 -1.764 -7.717 1.00 0.00 C ATOM 698 CG ARG A 42 -13.388 -1.216 -8.044 1.00 0.00 C ATOM 699 CD ARG A 42 -13.332 -0.129 -9.109 1.00 0.00 C ATOM 700 NE ARG A 42 -14.665 0.385 -9.444 1.00 0.00 N ATOM 701 CZ ARG A 42 -14.942 1.156 -10.505 1.00 0.00 C ATOM 702 NH1 ARG A 42 -13.988 1.522 -11.360 1.00 0.00 N1+ ATOM 703 NH2 ARG A 42 -16.187 1.563 -10.710 1.00 0.00 N ATOM 0 H ARG A 42 -9.300 -1.712 -6.783 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.689 0.017 -6.563 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.396 -1.756 -8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.098 -2.805 -7.407 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.028 -2.029 -8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.842 -0.814 -7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.706 0.691 -8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.861 -0.527 -10.008 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.437 0.138 -8.825 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.026 1.215 -11.213 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.219 2.109 -12.161 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.926 1.289 -10.063 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.406 2.150 -11.515 1.00 0.00 H new ATOM 717 N LEU A 43 -12.305 -1.092 -4.425 1.00 0.00 N ATOM 718 CA LEU A 43 -12.582 -1.632 -3.090 1.00 0.00 C ATOM 719 C LEU A 43 -13.755 -2.610 -3.131 1.00 0.00 C ATOM 720 O LEU A 43 -14.844 -2.272 -3.605 1.00 0.00 O ATOM 721 CB LEU A 43 -12.864 -0.479 -2.109 1.00 0.00 C ATOM 722 CG LEU A 43 -12.646 -0.783 -0.615 1.00 0.00 C ATOM 723 CD1 LEU A 43 -11.161 -0.837 -0.267 1.00 0.00 C ATOM 724 CD2 LEU A 43 -13.348 0.261 0.240 1.00 0.00 C ATOM 0 H LEU A 43 -12.822 -0.240 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.706 -2.180 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.230 0.365 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.897 -0.159 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.074 -1.764 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.044 -1.053 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.678 -1.620 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.699 0.124 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.187 0.036 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.944 1.248 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.417 0.248 0.025 1.00 0.00 H new ATOM 736 N ILE A 44 -13.506 -3.824 -2.631 1.00 0.00 N ATOM 737 CA ILE A 44 -14.513 -4.887 -2.609 1.00 0.00 C ATOM 738 C ILE A 44 -14.768 -5.354 -1.172 1.00 0.00 C ATOM 739 O ILE A 44 -13.825 -5.611 -0.418 1.00 0.00 O ATOM 740 CB ILE A 44 -14.078 -6.117 -3.476 1.00 0.00 C ATOM 741 CG1 ILE A 44 -13.324 -5.703 -4.777 1.00 0.00 C ATOM 742 CG2 ILE A 44 -15.276 -7.018 -3.807 1.00 0.00 C ATOM 743 CD1 ILE A 44 -14.083 -4.799 -5.744 1.00 0.00 C ATOM 0 H ILE A 44 -12.607 -4.096 -2.233 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.427 -4.470 -3.032 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.374 -6.685 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.401 -5.198 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.039 -6.610 -5.310 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -14.941 -7.862 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -15.721 -7.386 -2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.018 -6.446 -4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.455 -4.582 -6.608 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.992 -5.301 -6.074 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.345 -3.867 -5.242 1.00 0.00 H new ATOM 755 N TYR A 45 -16.053 -5.455 -0.811 1.00 0.00 N ATOM 756 CA TYR A 45 -16.467 -5.906 0.523 1.00 0.00 C ATOM 757 C TYR A 45 -17.689 -6.818 0.409 1.00 0.00 C ATOM 758 O TYR A 45 -18.656 -6.486 -0.282 1.00 0.00 O ATOM 759 CB TYR A 45 -16.771 -4.699 1.435 1.00 0.00 C ATOM 760 CG TYR A 45 -16.987 -5.043 2.904 1.00 0.00 C ATOM 761 CD1 TYR A 45 -15.923 -5.407 3.727 1.00 0.00 C ATOM 762 CD2 TYR A 45 -18.258 -4.999 3.462 1.00 0.00 C ATOM 763 CE1 TYR A 45 -16.125 -5.715 5.059 1.00 0.00 C ATOM 764 CE2 TYR A 45 -18.466 -5.306 4.793 1.00 0.00 C ATOM 765 CZ TYR A 45 -17.398 -5.663 5.587 1.00 0.00 C ATOM 766 OH TYR A 45 -17.601 -5.969 6.913 1.00 0.00 O ATOM 0 H TYR A 45 -16.831 -5.228 -1.431 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.650 -6.470 0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -15.947 -3.989 1.360 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.661 -4.194 1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.925 -5.449 3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -19.099 -4.720 2.844 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.290 -5.995 5.684 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -19.462 -5.266 5.209 1.00 0.00 H new ATOM 0 HH TYR A 45 -18.131 -5.261 7.335 1.00 0.00 H new ATOM 776 N SER A 46 -17.627 -7.980 1.096 1.00 0.00 N ATOM 777 CA SER A 46 -18.713 -8.997 1.104 1.00 0.00 C ATOM 778 C SER A 46 -18.948 -9.614 -0.291 1.00 0.00 C ATOM 779 O SER A 46 -19.953 -10.302 -0.517 1.00 0.00 O ATOM 780 CB SER A 46 -20.027 -8.400 1.649 1.00 0.00 C ATOM 781 OG SER A 46 -20.975 -9.414 1.936 1.00 0.00 O ATOM 0 H SER A 46 -16.822 -8.244 1.664 1.00 0.00 H new ATOM 0 HA SER A 46 -18.386 -9.797 1.768 1.00 0.00 H new ATOM 0 HB2 SER A 46 -19.821 -7.826 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 46 -20.444 -7.706 0.919 1.00 0.00 H new ATOM 0 HG SER A 46 -20.962 -10.085 1.222 1.00 0.00 H new ATOM 787 N GLY A 47 -18.000 -9.382 -1.210 1.00 0.00 N ATOM 788 CA GLY A 47 -18.114 -9.893 -2.570 1.00 0.00 C ATOM 789 C GLY A 47 -18.739 -8.882 -3.521 1.00 0.00 C ATOM 790 O GLY A 47 -18.794 -9.117 -4.733 1.00 0.00 O ATOM 0 H GLY A 47 -17.151 -8.845 -1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -17.125 -10.168 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.716 -10.802 -2.564 1.00 0.00 H new ATOM 794 N LYS A 48 -19.210 -7.759 -2.962 1.00 0.00 N ATOM 795 CA LYS A 48 -19.839 -6.693 -3.742 1.00 0.00 C ATOM 796 C LYS A 48 -18.839 -5.580 -4.057 1.00 0.00 C ATOM 797 O LYS A 48 -17.853 -5.399 -3.335 1.00 0.00 O ATOM 798 CB LYS A 48 -21.042 -6.115 -2.985 1.00 0.00 C ATOM 799 CG LYS A 48 -22.253 -7.036 -2.957 1.00 0.00 C ATOM 800 CD LYS A 48 -23.406 -6.415 -2.188 1.00 0.00 C ATOM 801 CE LYS A 48 -24.615 -7.337 -2.152 1.00 0.00 C ATOM 802 NZ LYS A 48 -25.749 -6.738 -1.397 1.00 0.00 N1+ ATOM 0 H LYS A 48 -19.165 -7.568 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.183 -7.124 -4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -20.742 -5.894 -1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -21.328 -5.169 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -22.570 -7.254 -3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -21.978 -7.986 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -23.087 -6.192 -1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -23.684 -5.467 -2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -24.934 -7.557 -3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -24.335 -8.285 -1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -26.553 -7.398 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -25.454 -6.551 -0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.034 -5.846 -1.849 1.00 0.00 H new ATOM 816 N GLN A 49 -19.107 -4.840 -5.140 1.00 0.00 N ATOM 817 CA GLN A 49 -18.243 -3.735 -5.573 1.00 0.00 C ATOM 818 C GLN A 49 -18.704 -2.413 -4.958 1.00 0.00 C ATOM 819 O GLN A 49 -19.904 -2.128 -4.918 1.00 0.00 O ATOM 820 CB GLN A 49 -18.254 -3.615 -7.103 1.00 0.00 C ATOM 821 CG GLN A 49 -17.527 -4.743 -7.823 1.00 0.00 C ATOM 822 CD GLN A 49 -17.739 -4.708 -9.324 1.00 0.00 C ATOM 823 OE1 GLN A 49 -18.678 -5.310 -9.844 1.00 0.00 O ATOM 824 NE2 GLN A 49 -16.865 -4.000 -10.027 1.00 0.00 N ATOM 0 H GLN A 49 -19.921 -4.988 -5.736 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.229 -3.950 -5.234 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -19.288 -3.587 -7.447 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.798 -2.666 -7.385 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.460 -4.678 -7.609 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.873 -5.700 -7.433 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.102 -3.517 -9.554 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.956 -3.939 -11.041 1.00 0.00 H new ATOM 833 N MET A 50 -17.741 -1.616 -4.481 1.00 0.00 N ATOM 834 CA MET A 50 -18.031 -0.319 -3.867 1.00 0.00 C ATOM 835 C MET A 50 -17.819 0.808 -4.876 1.00 0.00 C ATOM 836 O MET A 50 -16.763 0.892 -5.509 1.00 0.00 O ATOM 837 CB MET A 50 -17.149 -0.103 -2.635 1.00 0.00 C ATOM 838 CG MET A 50 -17.505 -1.008 -1.459 1.00 0.00 C ATOM 839 SD MET A 50 -16.528 -0.658 0.016 1.00 0.00 S ATOM 840 CE MET A 50 -17.424 0.735 0.701 1.00 0.00 C ATOM 0 H MET A 50 -16.749 -1.850 -4.510 1.00 0.00 H new ATOM 0 HA MET A 50 -19.075 -0.311 -3.553 1.00 0.00 H new ATOM 0 HB2 MET A 50 -16.108 -0.272 -2.910 1.00 0.00 H new ATOM 0 HB3 MET A 50 -17.230 0.937 -2.319 1.00 0.00 H new ATOM 0 HG2 MET A 50 -18.563 -0.891 -1.224 1.00 0.00 H new ATOM 0 HG3 MET A 50 -17.356 -2.048 -1.749 1.00 0.00 H new ATOM 0 HE1 MET A 50 -16.716 1.492 1.040 1.00 0.00 H new ATOM 0 HE2 MET A 50 -18.073 1.162 -0.064 1.00 0.00 H new ATOM 0 HE3 MET A 50 -18.028 0.400 1.544 1.00 0.00 H new ATOM 850 N ASN A 51 -18.834 1.669 -5.014 1.00 0.00 N ATOM 851 CA ASN A 51 -18.784 2.796 -5.952 1.00 0.00 C ATOM 852 C ASN A 51 -18.285 4.069 -5.273 1.00 0.00 C ATOM 853 O ASN A 51 -18.486 4.264 -4.070 1.00 0.00 O ATOM 854 CB ASN A 51 -20.167 3.041 -6.564 1.00 0.00 C ATOM 855 CG ASN A 51 -20.580 1.947 -7.533 1.00 0.00 C ATOM 856 OD1 ASN A 51 -21.198 0.957 -7.142 1.00 0.00 O ATOM 857 ND2 ASN A 51 -20.240 2.123 -8.804 1.00 0.00 N ATOM 0 H ASN A 51 -19.704 1.606 -4.485 1.00 0.00 H new ATOM 0 HA ASN A 51 -18.080 2.536 -6.742 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -20.906 3.112 -5.766 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -20.166 3.999 -7.083 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.491 1.422 -9.501 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.728 2.959 -9.084 1.00 0.00 H new ATOM 864 N ASP A 52 -17.655 4.947 -6.073 1.00 0.00 N ATOM 865 CA ASP A 52 -17.101 6.226 -5.586 1.00 0.00 C ATOM 866 C ASP A 52 -18.193 7.192 -5.103 1.00 0.00 C ATOM 867 O ASP A 52 -17.896 8.177 -4.419 1.00 0.00 O ATOM 868 CB ASP A 52 -16.274 6.897 -6.688 1.00 0.00 C ATOM 869 CG ASP A 52 -14.992 6.145 -6.998 1.00 0.00 C ATOM 870 OD1 ASP A 52 -13.961 6.437 -6.356 1.00 0.00 O1- ATOM 871 OD2 ASP A 52 -15.020 5.263 -7.883 1.00 0.00 O ATOM 0 H ASP A 52 -17.515 4.793 -7.071 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.465 5.993 -4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.875 6.971 -7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.029 7.915 -6.384 1.00 0.00 H new ATOM 876 N GLU A 53 -19.450 6.899 -5.462 1.00 0.00 N ATOM 877 CA GLU A 53 -20.596 7.721 -5.061 1.00 0.00 C ATOM 878 C GLU A 53 -21.175 7.237 -3.725 1.00 0.00 C ATOM 879 O GLU A 53 -22.033 7.903 -3.135 1.00 0.00 O ATOM 880 CB GLU A 53 -21.681 7.693 -6.143 1.00 0.00 C ATOM 881 CG GLU A 53 -21.331 8.494 -7.389 1.00 0.00 C ATOM 882 CD GLU A 53 -22.424 8.449 -8.438 1.00 0.00 C ATOM 883 OE1 GLU A 53 -23.316 9.322 -8.403 1.00 0.00 O ATOM 884 OE2 GLU A 53 -22.387 7.542 -9.295 1.00 0.00 O1- ATOM 0 H GLU A 53 -19.698 6.092 -6.034 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.248 8.746 -4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.868 6.658 -6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.609 8.080 -5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.144 9.531 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -20.406 8.107 -7.817 1.00 0.00 H new ATOM 891 N LYS A 54 -20.689 6.078 -3.258 1.00 0.00 N ATOM 892 CA LYS A 54 -21.139 5.490 -1.997 1.00 0.00 C ATOM 893 C LYS A 54 -20.111 5.736 -0.889 1.00 0.00 C ATOM 894 O LYS A 54 -18.983 6.165 -1.162 1.00 0.00 O ATOM 895 CB LYS A 54 -21.385 3.982 -2.168 1.00 0.00 C ATOM 896 CG LYS A 54 -22.580 3.647 -3.049 1.00 0.00 C ATOM 897 CD LYS A 54 -22.985 2.188 -2.902 1.00 0.00 C ATOM 898 CE LYS A 54 -24.195 1.846 -3.761 1.00 0.00 C ATOM 899 NZ LYS A 54 -23.853 1.773 -5.210 1.00 0.00 N1+ ATOM 0 H LYS A 54 -19.979 5.529 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 54 -22.076 5.968 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -20.492 3.524 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -21.534 3.535 -1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -23.421 4.288 -2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -22.336 3.855 -4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -22.148 1.549 -3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -23.210 1.977 -1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -24.609 0.891 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -24.970 2.597 -3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -24.706 1.538 -5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -23.482 2.692 -5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -23.132 1.038 -5.360 1.00 0.00 H new ATOM 913 N THR A 55 -20.509 5.464 0.360 1.00 0.00 N ATOM 914 CA THR A 55 -19.632 5.653 1.513 1.00 0.00 C ATOM 915 C THR A 55 -19.436 4.333 2.256 1.00 0.00 C ATOM 916 O THR A 55 -20.215 3.390 2.078 1.00 0.00 O ATOM 917 CB THR A 55 -20.183 6.715 2.498 1.00 0.00 C ATOM 918 OG1 THR A 55 -21.483 6.336 2.970 1.00 0.00 O ATOM 919 CG2 THR A 55 -20.263 8.094 1.854 1.00 0.00 C ATOM 0 H THR A 55 -21.437 5.111 0.594 1.00 0.00 H new ATOM 0 HA THR A 55 -18.676 6.009 1.129 1.00 0.00 H new ATOM 0 HB THR A 55 -19.489 6.766 3.337 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.024 6.016 2.218 1.00 0.00 H new ATOM 0 HG21 THR A 55 -20.654 8.811 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 55 -19.268 8.405 1.536 1.00 0.00 H new ATOM 0 HG23 THR A 55 -20.924 8.054 0.989 1.00 0.00 H new ATOM 927 N ALA A 56 -18.397 4.281 3.103 1.00 0.00 N ATOM 928 CA ALA A 56 -18.072 3.085 3.892 1.00 0.00 C ATOM 929 C ALA A 56 -19.232 2.643 4.797 1.00 0.00 C ATOM 930 O ALA A 56 -19.425 1.443 5.025 1.00 0.00 O ATOM 931 CB ALA A 56 -16.829 3.346 4.721 1.00 0.00 C ATOM 0 H ALA A 56 -17.762 5.063 3.259 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.889 2.269 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.589 2.458 5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.994 3.582 4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -17.009 4.185 5.393 1.00 0.00 H new ATOM 937 N ALA A 57 -20.008 3.623 5.290 1.00 0.00 N ATOM 938 CA ALA A 57 -21.164 3.358 6.162 1.00 0.00 C ATOM 939 C ALA A 57 -22.259 2.561 5.439 1.00 0.00 C ATOM 940 O ALA A 57 -22.958 1.754 6.060 1.00 0.00 O ATOM 941 CB ALA A 57 -21.733 4.667 6.690 1.00 0.00 C ATOM 0 H ALA A 57 -19.853 4.613 5.097 1.00 0.00 H new ATOM 0 HA ALA A 57 -20.812 2.751 6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.588 4.459 7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -20.968 5.192 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -22.052 5.289 5.853 1.00 0.00 H new ATOM 947 N ASP A 58 -22.373 2.770 4.112 1.00 0.00 N ATOM 948 CA ASP A 58 -23.372 2.081 3.280 1.00 0.00 C ATOM 949 C ASP A 58 -23.126 0.567 3.215 1.00 0.00 C ATOM 950 O ASP A 58 -24.010 -0.194 2.813 1.00 0.00 O ATOM 951 CB ASP A 58 -23.366 2.665 1.867 1.00 0.00 C ATOM 952 CG ASP A 58 -24.075 4.003 1.788 1.00 0.00 C ATOM 953 OD1 ASP A 58 -25.321 4.021 1.892 1.00 0.00 O ATOM 954 OD2 ASP A 58 -23.389 5.032 1.617 1.00 0.00 O1- ATOM 0 H ASP A 58 -21.779 3.416 3.593 1.00 0.00 H new ATOM 0 HA ASP A 58 -24.346 2.238 3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.336 2.783 1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.846 1.963 1.185 1.00 0.00 H new ATOM 959 N TYR A 59 -21.918 0.150 3.615 1.00 0.00 N ATOM 960 CA TYR A 59 -21.539 -1.259 3.626 1.00 0.00 C ATOM 961 C TYR A 59 -21.282 -1.738 5.065 1.00 0.00 C ATOM 962 O TYR A 59 -20.605 -2.750 5.287 1.00 0.00 O ATOM 963 CB TYR A 59 -20.303 -1.472 2.740 1.00 0.00 C ATOM 964 CG TYR A 59 -20.603 -1.427 1.255 1.00 0.00 C ATOM 965 CD1 TYR A 59 -20.712 -0.215 0.580 1.00 0.00 C ATOM 966 CD2 TYR A 59 -20.775 -2.598 0.528 1.00 0.00 C ATOM 967 CE1 TYR A 59 -20.985 -0.175 -0.774 1.00 0.00 C ATOM 968 CE2 TYR A 59 -21.047 -2.565 -0.826 1.00 0.00 C ATOM 969 CZ TYR A 59 -21.151 -1.351 -1.472 1.00 0.00 C ATOM 970 OH TYR A 59 -21.422 -1.316 -2.820 1.00 0.00 O ATOM 0 H TYR A 59 -21.183 0.780 3.937 1.00 0.00 H new ATOM 0 HA TYR A 59 -22.359 -1.853 3.222 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -19.562 -0.708 2.975 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -19.855 -2.436 2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -20.581 0.709 1.123 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -20.695 -3.551 1.030 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -21.068 0.774 -1.283 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.178 -3.485 -1.376 1.00 0.00 H new ATOM 0 HH TYR A 59 -20.683 -1.730 -3.313 1.00 0.00 H new ATOM 980 N LYS A 60 -21.859 -0.995 6.043 1.00 0.00 N ATOM 981 CA LYS A 60 -21.757 -1.283 7.503 1.00 0.00 C ATOM 982 C LYS A 60 -20.322 -1.619 7.979 1.00 0.00 C ATOM 983 O LYS A 60 -20.133 -2.413 8.911 1.00 0.00 O ATOM 984 CB LYS A 60 -22.780 -2.375 7.955 1.00 0.00 C ATOM 985 CG LYS A 60 -22.808 -3.673 7.132 1.00 0.00 C ATOM 986 CD LYS A 60 -21.696 -4.635 7.531 1.00 0.00 C ATOM 987 CE LYS A 60 -21.777 -5.936 6.748 1.00 0.00 C ATOM 988 NZ LYS A 60 -20.680 -6.874 7.115 1.00 0.00 N1+ ATOM 0 H LYS A 60 -22.417 -0.166 5.840 1.00 0.00 H new ATOM 0 HA LYS A 60 -22.021 -0.348 7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -22.567 -2.634 8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -23.778 -1.937 7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -23.773 -4.163 7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -22.714 -3.431 6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -20.728 -4.165 7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.762 -4.847 8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -22.740 -6.412 6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -21.729 -5.721 5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -20.741 -7.727 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -19.761 -6.411 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -20.771 -7.140 8.116 1.00 0.00 H new ATOM 1002 N ILE A 61 -19.321 -0.986 7.353 1.00 0.00 N ATOM 1003 CA ILE A 61 -17.911 -1.201 7.712 1.00 0.00 C ATOM 1004 C ILE A 61 -17.534 -0.318 8.911 1.00 0.00 C ATOM 1005 O ILE A 61 -17.789 0.891 8.903 1.00 0.00 O ATOM 1006 CB ILE A 61 -16.951 -0.909 6.519 1.00 0.00 C ATOM 1007 CG1 ILE A 61 -17.470 -1.556 5.221 1.00 0.00 C ATOM 1008 CG2 ILE A 61 -15.538 -1.417 6.825 1.00 0.00 C ATOM 1009 CD1 ILE A 61 -17.105 -0.794 3.960 1.00 0.00 C ATOM 0 H ILE A 61 -19.461 -0.319 6.594 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.798 -2.252 7.977 1.00 0.00 H new ATOM 0 HB ILE A 61 -16.916 0.171 6.378 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -17.073 -2.569 5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.555 -1.642 5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.884 -1.203 5.980 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -15.156 -0.917 7.715 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -15.568 -2.493 6.998 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.507 -1.315 3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.525 0.211 4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -16.020 -0.730 3.875 1.00 0.00 H new ATOM 1021 N LEU A 62 -16.929 -0.938 9.929 1.00 0.00 N ATOM 1022 CA LEU A 62 -16.526 -0.231 11.148 1.00 0.00 C ATOM 1023 C LEU A 62 -15.064 -0.522 11.510 1.00 0.00 C ATOM 1024 O LEU A 62 -14.419 -1.391 10.902 1.00 0.00 O ATOM 1025 CB LEU A 62 -17.452 -0.623 12.312 1.00 0.00 C ATOM 1026 CG LEU A 62 -18.907 -0.148 12.193 1.00 0.00 C ATOM 1027 CD1 LEU A 62 -19.838 -1.105 12.922 1.00 0.00 C ATOM 1028 CD2 LEU A 62 -19.064 1.264 12.746 1.00 0.00 C ATOM 0 H LEU A 62 -16.707 -1.933 9.932 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.614 0.839 10.962 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.450 -1.709 12.404 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.033 -0.224 13.236 1.00 0.00 H new ATOM 0 HG LEU A 62 -19.174 -0.134 11.136 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -20.866 -0.755 12.828 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -19.752 -2.100 12.485 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -19.564 -1.147 13.976 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -20.103 1.579 12.651 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.776 1.277 13.797 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -18.425 1.947 12.186 1.00 0.00 H new ATOM 1040 N GLY A 63 -14.553 0.214 12.521 1.00 0.00 N ATOM 1041 CA GLY A 63 -13.174 0.052 12.987 1.00 0.00 C ATOM 1042 C GLY A 63 -12.858 -1.369 13.423 1.00 0.00 C ATOM 1043 O GLY A 63 -13.342 -1.832 14.461 1.00 0.00 O ATOM 0 H GLY A 63 -15.082 0.925 13.025 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.490 0.342 12.189 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.996 0.730 13.821 1.00 0.00 H new ATOM 1047 N GLY A 64 -12.045 -2.046 12.615 1.00 0.00 N ATOM 1048 CA GLY A 64 -11.671 -3.424 12.887 1.00 0.00 C ATOM 1049 C GLY A 64 -12.082 -4.375 11.773 1.00 0.00 C ATOM 1050 O GLY A 64 -11.802 -5.575 11.851 1.00 0.00 O ATOM 0 H GLY A 64 -11.634 -1.658 11.766 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.592 -3.482 13.029 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.133 -3.744 13.821 1.00 0.00 H new ATOM 1054 N SER A 65 -12.750 -3.839 10.732 1.00 0.00 N ATOM 1055 CA SER A 65 -13.201 -4.644 9.593 1.00 0.00 C ATOM 1056 C SER A 65 -12.080 -4.841 8.571 1.00 0.00 C ATOM 1057 O SER A 65 -11.193 -3.992 8.436 1.00 0.00 O ATOM 1058 CB SER A 65 -14.402 -3.978 8.923 1.00 0.00 C ATOM 1059 OG SER A 65 -15.493 -3.867 9.822 1.00 0.00 O ATOM 0 H SER A 65 -12.987 -2.849 10.662 1.00 0.00 H new ATOM 0 HA SER A 65 -13.492 -5.624 9.970 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.120 -2.988 8.565 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.703 -4.558 8.051 1.00 0.00 H new ATOM 0 HG SER A 65 -15.320 -3.142 10.458 1.00 0.00 H new ATOM 1065 N VAL A 66 -12.138 -5.972 7.864 1.00 0.00 N ATOM 1066 CA VAL A 66 -11.142 -6.312 6.846 1.00 0.00 C ATOM 1067 C VAL A 66 -11.728 -6.059 5.452 1.00 0.00 C ATOM 1068 O VAL A 66 -12.675 -6.737 5.035 1.00 0.00 O ATOM 1069 CB VAL A 66 -10.665 -7.796 6.967 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -9.446 -8.067 6.085 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -10.342 -8.161 8.414 1.00 0.00 C ATOM 0 H VAL A 66 -12.870 -6.673 7.980 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.270 -5.677 7.003 1.00 0.00 H new ATOM 0 HB VAL A 66 -11.490 -8.420 6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.142 -9.108 6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.700 -7.871 5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.626 -7.416 6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.014 -9.199 8.463 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.549 -7.512 8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.233 -8.033 9.029 1.00 0.00 H new ATOM 1081 N LEU A 67 -11.158 -5.077 4.749 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.611 -4.715 3.405 1.00 0.00 C ATOM 1083 C LEU A 67 -10.710 -5.330 2.340 1.00 0.00 C ATOM 1084 O LEU A 67 -9.506 -5.490 2.554 1.00 0.00 O ATOM 1085 CB LEU A 67 -11.642 -3.188 3.240 1.00 0.00 C ATOM 1086 CG LEU A 67 -12.654 -2.434 4.119 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -12.215 -0.990 4.299 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -14.049 -2.481 3.506 1.00 0.00 C ATOM 0 H LEU A 67 -10.378 -4.516 5.091 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.619 -5.108 3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.646 -2.799 3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.857 -2.960 2.196 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.690 -2.922 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.938 -0.465 4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.236 -0.964 4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -12.155 -0.504 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.746 -1.941 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.029 -2.018 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.371 -3.518 3.413 1.00 0.00 H new ATOM 1100 N HIS A 68 -11.309 -5.672 1.196 1.00 0.00 N ATOM 1101 CA HIS A 68 -10.578 -6.269 0.077 1.00 0.00 C ATOM 1102 C HIS A 68 -10.312 -5.231 -1.007 1.00 0.00 C ATOM 1103 O HIS A 68 -11.158 -4.373 -1.273 1.00 0.00 O ATOM 1104 CB HIS A 68 -11.359 -7.449 -0.510 1.00 0.00 C ATOM 1105 CG HIS A 68 -11.423 -8.642 0.395 1.00 0.00 C ATOM 1106 ND1 HIS A 68 -10.614 -9.749 0.240 1.00 0.00 N ATOM 1107 CD2 HIS A 68 -12.207 -8.897 1.470 1.00 0.00 C ATOM 1108 CE1 HIS A 68 -10.899 -10.633 1.179 1.00 0.00 C ATOM 1109 NE2 HIS A 68 -11.860 -10.141 1.938 1.00 0.00 N ATOM 0 H HIS A 68 -12.306 -5.544 1.021 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.623 -6.634 0.455 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.374 -7.123 -0.739 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -10.899 -7.744 -1.453 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -12.963 -8.245 1.882 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.426 -11.596 1.304 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -12.278 -10.609 2.742 1.00 0.00 H new ATOM 1118 N LEU A 69 -9.130 -5.319 -1.626 1.00 0.00 N ATOM 1119 CA LEU A 69 -8.732 -4.390 -2.685 1.00 0.00 C ATOM 1120 C LEU A 69 -8.204 -5.153 -3.897 1.00 0.00 C ATOM 1121 O LEU A 69 -7.314 -5.998 -3.769 1.00 0.00 O ATOM 1122 CB LEU A 69 -7.661 -3.404 -2.148 1.00 0.00 C ATOM 1123 CG LEU A 69 -7.392 -2.088 -2.937 1.00 0.00 C ATOM 1124 CD1 LEU A 69 -6.584 -2.342 -4.205 1.00 0.00 C ATOM 1125 CD2 LEU A 69 -8.682 -1.338 -3.269 1.00 0.00 C ATOM 0 H LEU A 69 -8.430 -6.029 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.606 -3.819 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.946 -3.128 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.718 -3.946 -2.079 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.800 -1.454 -2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.418 -1.399 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.623 -2.785 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.132 -3.024 -4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.442 -0.428 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.325 -1.972 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.200 -1.078 -2.346 1.00 0.00 H new ATOM 1137 N VAL A 70 -8.767 -4.840 -5.067 1.00 0.00 N ATOM 1138 CA VAL A 70 -8.359 -5.471 -6.326 1.00 0.00 C ATOM 1139 C VAL A 70 -7.521 -4.504 -7.161 1.00 0.00 C ATOM 1140 O VAL A 70 -7.838 -3.311 -7.248 1.00 0.00 O ATOM 1141 CB VAL A 70 -9.566 -5.992 -7.162 1.00 0.00 C ATOM 1142 CG1 VAL A 70 -10.088 -7.294 -6.579 1.00 0.00 C ATOM 1143 CG2 VAL A 70 -10.693 -4.963 -7.265 1.00 0.00 C ATOM 0 H VAL A 70 -9.511 -4.150 -5.169 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.758 -6.340 -6.058 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.203 -6.170 -8.174 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.931 -7.646 -7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.296 -8.043 -6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.412 -7.129 -5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.510 -5.376 -7.858 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.056 -4.720 -6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.318 -4.059 -7.745 1.00 0.00 H new ATOM 1153 N LEU A 71 -6.456 -5.035 -7.767 1.00 0.00 N ATOM 1154 CA LEU A 71 -5.545 -4.234 -8.585 1.00 0.00 C ATOM 1155 C LEU A 71 -5.712 -4.553 -10.070 1.00 0.00 C ATOM 1156 O LEU A 71 -5.749 -5.723 -10.460 1.00 0.00 O ATOM 1157 CB LEU A 71 -4.094 -4.489 -8.155 1.00 0.00 C ATOM 1158 CG LEU A 71 -3.113 -3.338 -8.418 1.00 0.00 C ATOM 1159 CD1 LEU A 71 -3.051 -2.398 -7.223 1.00 0.00 C ATOM 1160 CD2 LEU A 71 -1.729 -3.883 -8.741 1.00 0.00 C ATOM 0 H LEU A 71 -6.204 -6.021 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.788 -3.182 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.084 -4.715 -7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.731 -5.377 -8.672 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.472 -2.772 -9.278 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.350 -1.590 -7.432 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.041 -1.981 -7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.718 -2.949 -6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.045 -3.054 -8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.365 -4.474 -7.900 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.784 -4.512 -9.630 1.00 0.00 H new ATOM 1172 N ALA A 72 -5.813 -3.497 -10.883 1.00 0.00 N ATOM 1173 CA ALA A 72 -5.962 -3.638 -12.330 1.00 0.00 C ATOM 1174 C ALA A 72 -4.630 -3.387 -13.035 1.00 0.00 C ATOM 1175 O ALA A 72 -4.036 -2.313 -12.892 1.00 0.00 O ATOM 1176 CB ALA A 72 -7.032 -2.686 -12.848 1.00 0.00 C ATOM 0 H ALA A 72 -5.794 -2.530 -10.558 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.275 -4.659 -12.547 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.131 -2.803 -13.927 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.984 -2.914 -12.369 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.747 -1.659 -12.619 1.00 0.00 H new ATOM 1275 N ARG B 80 18.047 3.318 -9.504 1.00 0.00 N ATOM 1276 CA ARG B 80 18.154 2.516 -8.284 1.00 0.00 C ATOM 1277 C ARG B 80 17.795 3.360 -7.055 1.00 0.00 C ATOM 1278 O ARG B 80 17.947 4.585 -7.069 1.00 0.00 O ATOM 1279 CB ARG B 80 19.581 1.939 -8.170 1.00 0.00 C ATOM 1280 CG ARG B 80 19.745 0.764 -7.194 1.00 0.00 C ATOM 1281 CD ARG B 80 19.060 -0.525 -7.668 1.00 0.00 C ATOM 1282 NE ARG B 80 19.527 -0.981 -8.986 1.00 0.00 N ATOM 1283 CZ ARG B 80 19.565 -2.265 -9.377 1.00 0.00 C ATOM 1284 NH1 ARG B 80 19.176 -3.243 -8.563 1.00 0.00 N1+ ATOM 1285 NH2 ARG B 80 19.979 -2.570 -10.599 1.00 0.00 N ATOM 0 HA ARG B 80 17.448 1.687 -8.332 1.00 0.00 H new ATOM 0 HB2 ARG B 80 19.902 1.614 -9.159 1.00 0.00 H new ATOM 0 HB3 ARG B 80 20.254 2.740 -7.863 1.00 0.00 H new ATOM 0 HG2 ARG B 80 20.807 0.569 -7.048 1.00 0.00 H new ATOM 0 HG3 ARG B 80 19.337 1.048 -6.224 1.00 0.00 H new ATOM 0 HD2 ARG B 80 19.236 -1.313 -6.935 1.00 0.00 H new ATOM 0 HD3 ARG B 80 17.983 -0.362 -7.708 1.00 0.00 H new ATOM 0 HE ARG B 80 19.844 -0.273 -9.649 1.00 0.00 H new ATOM 0 HH11 ARG B 80 18.842 -3.023 -7.625 1.00 0.00 H new ATOM 0 HH12 ARG B 80 19.212 -4.213 -8.877 1.00 0.00 H new ATOM 0 HH21 ARG B 80 20.268 -1.830 -11.239 1.00 0.00 H new ATOM 0 HH22 ARG B 80 20.009 -3.544 -10.899 1.00 0.00 H new ATOM 1299 N LYS B 81 17.321 2.686 -5.997 1.00 0.00 N ATOM 1300 CA LYS B 81 16.918 3.366 -4.758 1.00 0.00 C ATOM 1301 C LYS B 81 17.578 2.744 -3.511 1.00 0.00 C ATOM 1302 O LYS B 81 17.033 2.826 -2.402 1.00 0.00 O ATOM 1303 CB LYS B 81 15.384 3.339 -4.619 1.00 0.00 C ATOM 1304 CG LYS B 81 14.640 4.196 -5.642 1.00 0.00 C ATOM 1305 CD LYS B 81 14.260 3.398 -6.883 1.00 0.00 C ATOM 1306 CE LYS B 81 13.376 4.210 -7.816 1.00 0.00 C ATOM 1307 NZ LYS B 81 12.977 3.430 -9.020 1.00 0.00 N1+ ATOM 0 H LYS B 81 17.208 1.673 -5.975 1.00 0.00 H new ATOM 0 HA LYS B 81 17.261 4.399 -4.823 1.00 0.00 H new ATOM 0 HB2 LYS B 81 15.042 2.308 -4.710 1.00 0.00 H new ATOM 0 HB3 LYS B 81 15.117 3.677 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS B 81 13.740 4.607 -5.185 1.00 0.00 H new ATOM 0 HG3 LYS B 81 15.265 5.041 -5.931 1.00 0.00 H new ATOM 0 HD2 LYS B 81 15.163 3.091 -7.411 1.00 0.00 H new ATOM 0 HD3 LYS B 81 13.739 2.488 -6.587 1.00 0.00 H new ATOM 0 HE2 LYS B 81 12.483 4.533 -7.281 1.00 0.00 H new ATOM 0 HE3 LYS B 81 13.906 5.111 -8.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 12.375 4.018 -9.631 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 13.828 3.143 -9.545 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 12.449 2.583 -8.726 1.00 0.00 H new ATOM 1321 N THR B 82 18.769 2.145 -3.692 1.00 0.00 N ATOM 1322 CA THR B 82 19.531 1.514 -2.589 1.00 0.00 C ATOM 1323 C THR B 82 19.832 2.503 -1.459 1.00 0.00 C ATOM 1324 O THR B 82 19.742 2.165 -0.275 1.00 0.00 O ATOM 1325 CB THR B 82 20.871 0.928 -3.085 1.00 0.00 C ATOM 1326 OG1 THR B 82 21.509 1.840 -3.987 1.00 0.00 O ATOM 1327 CG2 THR B 82 20.666 -0.413 -3.769 1.00 0.00 C ATOM 0 H THR B 82 19.231 2.083 -4.599 1.00 0.00 H new ATOM 0 HA THR B 82 18.895 0.714 -2.210 1.00 0.00 H new ATOM 0 HB THR B 82 21.510 0.775 -2.215 1.00 0.00 H new ATOM 0 HG1 THR B 82 22.358 1.458 -4.293 1.00 0.00 H new ATOM 0 HG21 THR B 82 21.627 -0.800 -4.107 1.00 0.00 H new ATOM 0 HG22 THR B 82 20.219 -1.116 -3.066 1.00 0.00 H new ATOM 0 HG23 THR B 82 20.004 -0.287 -4.626 1.00 0.00 H new ATOM 1335 N ARG B 83 20.189 3.722 -1.863 1.00 0.00 N ATOM 1336 CA ARG B 83 20.539 4.818 -0.955 1.00 0.00 C ATOM 1337 C ARG B 83 19.368 5.313 -0.095 1.00 0.00 C ATOM 1338 O ARG B 83 19.561 5.612 1.077 1.00 0.00 O ATOM 1339 CB ARG B 83 21.116 5.995 -1.750 1.00 0.00 C ATOM 1340 CG ARG B 83 22.531 5.758 -2.263 1.00 0.00 C ATOM 1341 CD ARG B 83 23.074 6.972 -3.005 1.00 0.00 C ATOM 1342 NE ARG B 83 23.438 8.065 -2.094 1.00 0.00 N ATOM 1343 CZ ARG B 83 23.833 9.285 -2.484 1.00 0.00 C ATOM 1344 NH1 ARG B 83 23.927 9.599 -3.776 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 83 24.139 10.198 -1.572 1.00 0.00 N ATOM 0 H ARG B 83 20.245 3.982 -2.848 1.00 0.00 H new ATOM 0 HA ARG B 83 21.282 4.411 -0.269 1.00 0.00 H new ATOM 0 HB2 ARG B 83 20.463 6.204 -2.597 1.00 0.00 H new ATOM 0 HB3 ARG B 83 21.113 6.884 -1.119 1.00 0.00 H new ATOM 0 HG2 ARG B 83 23.187 5.521 -1.425 1.00 0.00 H new ATOM 0 HG3 ARG B 83 22.537 4.894 -2.927 1.00 0.00 H new ATOM 0 HD2 ARG B 83 23.949 6.679 -3.585 1.00 0.00 H new ATOM 0 HD3 ARG B 83 22.326 7.327 -3.714 1.00 0.00 H new ATOM 0 HE ARG B 83 23.386 7.882 -1.092 1.00 0.00 H new ATOM 0 HH11 ARG B 83 23.696 8.905 -4.487 1.00 0.00 H new ATOM 0 HH12 ARG B 83 24.229 10.533 -4.053 1.00 0.00 H new ATOM 0 HH21 ARG B 83 24.073 9.970 -0.580 1.00 0.00 H new ATOM 0 HH22 ARG B 83 24.440 11.128 -1.863 1.00 0.00 H new ATOM 1359 N GLU B 84 18.158 5.384 -0.669 1.00 0.00 N ATOM 1360 CA GLU B 84 16.995 5.937 0.023 1.00 0.00 C ATOM 1361 C GLU B 84 16.475 4.992 1.094 1.00 0.00 C ATOM 1362 O GLU B 84 16.107 5.416 2.188 1.00 0.00 O ATOM 1363 CB GLU B 84 15.879 6.250 -0.990 1.00 0.00 C ATOM 1364 CG GLU B 84 16.260 7.263 -2.075 1.00 0.00 C ATOM 1365 CD GLU B 84 16.410 8.684 -1.554 1.00 0.00 C ATOM 1366 OE1 GLU B 84 17.413 8.960 -0.862 1.00 0.00 O1- ATOM 1367 OE2 GLU B 84 15.525 9.518 -1.840 1.00 0.00 O ATOM 0 H GLU B 84 17.964 5.062 -1.617 1.00 0.00 H new ATOM 0 HA GLU B 84 17.309 6.857 0.516 1.00 0.00 H new ATOM 0 HB2 GLU B 84 15.574 5.321 -1.471 1.00 0.00 H new ATOM 0 HB3 GLU B 84 15.012 6.628 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU B 84 17.197 6.953 -2.537 1.00 0.00 H new ATOM 0 HG3 GLU B 84 15.500 7.249 -2.856 1.00 0.00 H new ATOM 1374 N THR B 85 16.457 3.708 0.748 1.00 0.00 N ATOM 1375 CA THR B 85 15.947 2.652 1.614 1.00 0.00 C ATOM 1376 C THR B 85 16.852 2.313 2.802 1.00 0.00 C ATOM 1377 O THR B 85 16.394 2.276 3.942 1.00 0.00 O ATOM 1378 CB THR B 85 15.656 1.397 0.795 1.00 0.00 C ATOM 1379 OG1 THR B 85 16.829 1.018 0.064 1.00 0.00 O ATOM 1380 CG2 THR B 85 14.503 1.682 -0.158 1.00 0.00 C ATOM 0 H THR B 85 16.800 3.369 -0.151 1.00 0.00 H new ATOM 0 HA THR B 85 15.027 3.043 2.049 1.00 0.00 H new ATOM 0 HB THR B 85 15.378 0.576 1.456 1.00 0.00 H new ATOM 0 HG1 THR B 85 16.898 1.562 -0.749 1.00 0.00 H new ATOM 0 HG21 THR B 85 14.289 0.790 -0.747 1.00 0.00 H new ATOM 0 HG22 THR B 85 13.618 1.960 0.414 1.00 0.00 H new ATOM 0 HG23 THR B 85 14.776 2.500 -0.825 1.00 0.00 H new ATOM 1388 N GLU B 86 18.123 2.040 2.544 1.00 0.00 N ATOM 1389 CA GLU B 86 19.054 1.706 3.620 1.00 0.00 C ATOM 1390 C GLU B 86 19.428 2.948 4.463 1.00 0.00 C ATOM 1391 O GLU B 86 19.509 2.852 5.686 1.00 0.00 O ATOM 1392 CB GLU B 86 20.266 0.949 3.061 1.00 0.00 C ATOM 1393 CG GLU B 86 21.195 0.366 4.121 1.00 0.00 C ATOM 1394 CD GLU B 86 22.259 -0.534 3.530 1.00 0.00 C ATOM 1395 OE1 GLU B 86 21.986 -1.741 3.355 1.00 0.00 O1- ATOM 1396 OE2 GLU B 86 23.366 -0.035 3.238 1.00 0.00 O ATOM 0 H GLU B 86 18.533 2.042 1.610 1.00 0.00 H new ATOM 0 HA GLU B 86 18.559 1.031 4.317 1.00 0.00 H new ATOM 0 HB2 GLU B 86 19.910 0.139 2.424 1.00 0.00 H new ATOM 0 HB3 GLU B 86 20.839 1.625 2.427 1.00 0.00 H new ATOM 0 HG2 GLU B 86 21.674 1.179 4.666 1.00 0.00 H new ATOM 0 HG3 GLU B 86 20.606 -0.199 4.844 1.00 0.00 H new ATOM 1403 N ARG B 87 19.645 4.110 3.818 1.00 0.00 N ATOM 1404 CA ARG B 87 19.980 5.350 4.552 1.00 0.00 C ATOM 1405 C ARG B 87 18.823 5.792 5.463 1.00 0.00 C ATOM 1406 O ARG B 87 19.063 6.218 6.593 1.00 0.00 O ATOM 1407 CB ARG B 87 20.362 6.490 3.602 1.00 0.00 C ATOM 1408 CG ARG B 87 21.769 6.366 3.013 1.00 0.00 C ATOM 1409 CD ARG B 87 22.844 6.935 3.938 1.00 0.00 C ATOM 1410 NE ARG B 87 23.072 6.086 5.115 1.00 0.00 N ATOM 1411 CZ ARG B 87 23.842 6.421 6.161 1.00 0.00 C ATOM 1412 NH1 ARG B 87 24.474 7.593 6.204 1.00 0.00 N1+ ATOM 1413 NH2 ARG B 87 23.978 5.574 7.172 1.00 0.00 N ATOM 0 H ARG B 87 19.596 4.218 2.805 1.00 0.00 H new ATOM 0 HA ARG B 87 20.846 5.121 5.173 1.00 0.00 H new ATOM 0 HB2 ARG B 87 19.640 6.526 2.786 1.00 0.00 H new ATOM 0 HB3 ARG B 87 20.286 7.436 4.138 1.00 0.00 H new ATOM 0 HG2 ARG B 87 21.985 5.316 2.814 1.00 0.00 H new ATOM 0 HG3 ARG B 87 21.806 6.886 2.056 1.00 0.00 H new ATOM 0 HD2 ARG B 87 23.777 7.043 3.384 1.00 0.00 H new ATOM 0 HD3 ARG B 87 22.549 7.933 4.264 1.00 0.00 H new ATOM 0 HE ARG B 87 22.612 5.176 5.139 1.00 0.00 H new ATOM 0 HH11 ARG B 87 24.377 8.253 5.433 1.00 0.00 H new ATOM 0 HH12 ARG B 87 25.055 7.830 7.008 1.00 0.00 H new ATOM 0 HH21 ARG B 87 23.499 4.674 7.151 1.00 0.00 H new ATOM 0 HH22 ARG B 87 24.562 5.822 7.970 1.00 0.00 H new ATOM 1427 N LEU B 88 17.573 5.686 4.956 1.00 0.00 N ATOM 1428 CA LEU B 88 16.352 6.045 5.724 1.00 0.00 C ATOM 1429 C LEU B 88 16.346 5.343 7.077 1.00 0.00 C ATOM 1430 O LEU B 88 16.295 5.943 8.151 1.00 0.00 O ATOM 1431 CB LEU B 88 15.064 5.589 4.950 1.00 0.00 C ATOM 1432 CG LEU B 88 14.509 4.170 5.330 1.00 0.00 C ATOM 1433 CD1 LEU B 88 13.442 4.212 6.411 1.00 0.00 C ATOM 1434 CD2 LEU B 88 13.980 3.400 4.151 1.00 0.00 C ATOM 0 H LEU B 88 17.380 5.352 4.012 1.00 0.00 H new ATOM 0 HA LEU B 88 16.355 7.127 5.857 1.00 0.00 H new ATOM 0 HB2 LEU B 88 14.279 6.325 5.123 1.00 0.00 H new ATOM 0 HB3 LEU B 88 15.281 5.600 3.882 1.00 0.00 H new ATOM 0 HG LEU B 88 15.382 3.647 5.722 1.00 0.00 H new ATOM 0 HD11 LEU B 88 13.102 3.199 6.626 1.00 0.00 H new ATOM 0 HD12 LEU B 88 13.858 4.655 7.316 1.00 0.00 H new ATOM 0 HD13 LEU B 88 12.600 4.813 6.068 1.00 0.00 H new ATOM 0 HD21 LEU B 88 13.613 2.430 4.485 1.00 0.00 H new ATOM 0 HD22 LEU B 88 13.165 3.957 3.689 1.00 0.00 H new ATOM 0 HD23 LEU B 88 14.778 3.255 3.423 1.00 0.00 H new ATOM 1446 N ARG B 89 16.399 4.035 6.928 1.00 0.00 N ATOM 1447 CA ARG B 89 16.323 3.064 7.994 1.00 0.00 C ATOM 1448 C ARG B 89 17.563 3.073 8.910 1.00 0.00 C ATOM 1449 O ARG B 89 17.424 2.944 10.130 1.00 0.00 O ATOM 1450 CB ARG B 89 16.043 1.691 7.346 1.00 0.00 C ATOM 1451 CG ARG B 89 15.421 0.661 8.290 1.00 0.00 C ATOM 1452 CD ARG B 89 16.471 -0.105 9.086 1.00 0.00 C ATOM 1453 NE ARG B 89 15.865 -1.096 9.984 1.00 0.00 N ATOM 1454 CZ ARG B 89 16.270 -1.339 11.238 1.00 0.00 C ATOM 1455 NH1 ARG B 89 17.290 -0.671 11.776 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 89 15.647 -2.262 11.959 1.00 0.00 N ATOM 0 H ARG B 89 16.502 3.601 6.011 1.00 0.00 H new ATOM 0 HA ARG B 89 15.509 3.318 8.673 1.00 0.00 H new ATOM 0 HB2 ARG B 89 15.378 1.834 6.495 1.00 0.00 H new ATOM 0 HB3 ARG B 89 16.978 1.290 6.956 1.00 0.00 H new ATOM 0 HG2 ARG B 89 14.743 1.166 8.979 1.00 0.00 H new ATOM 0 HG3 ARG B 89 14.822 -0.043 7.712 1.00 0.00 H new ATOM 0 HD2 ARG B 89 17.152 -0.607 8.399 1.00 0.00 H new ATOM 0 HD3 ARG B 89 17.067 0.597 9.670 1.00 0.00 H new ATOM 0 HE ARG B 89 15.079 -1.639 9.627 1.00 0.00 H new ATOM 0 HH11 ARG B 89 17.778 0.040 11.231 1.00 0.00 H new ATOM 0 HH12 ARG B 89 17.583 -0.871 12.732 1.00 0.00 H new ATOM 0 HH21 ARG B 89 14.866 -2.781 11.558 1.00 0.00 H new ATOM 0 HH22 ARG B 89 15.949 -2.453 12.914 1.00 0.00 H new ATOM 1470 N ARG B 90 18.762 3.223 8.326 1.00 0.00 N ATOM 1471 CA ARG B 90 20.014 3.238 9.105 1.00 0.00 C ATOM 1472 C ARG B 90 20.142 4.475 10.018 1.00 0.00 C ATOM 1473 O ARG B 90 20.307 4.320 11.232 1.00 0.00 O ATOM 1474 CB ARG B 90 21.234 3.139 8.180 1.00 0.00 C ATOM 1475 CG ARG B 90 21.520 1.725 7.695 1.00 0.00 C ATOM 1476 CD ARG B 90 22.912 1.613 7.094 1.00 0.00 C ATOM 1477 NE ARG B 90 23.198 0.257 6.611 1.00 0.00 N ATOM 1478 CZ ARG B 90 23.916 -0.659 7.279 1.00 0.00 C ATOM 1479 NH1 ARG B 90 24.437 -0.388 8.474 1.00 0.00 N1+ ATOM 1480 NH2 ARG B 90 24.112 -1.856 6.742 1.00 0.00 N ATOM 0 H ARG B 90 18.893 3.335 7.321 1.00 0.00 H new ATOM 0 HA ARG B 90 19.979 2.363 9.754 1.00 0.00 H new ATOM 0 HB2 ARG B 90 21.078 3.785 7.316 1.00 0.00 H new ATOM 0 HB3 ARG B 90 22.110 3.517 8.707 1.00 0.00 H new ATOM 0 HG2 ARG B 90 21.425 1.028 8.527 1.00 0.00 H new ATOM 0 HG3 ARG B 90 20.777 1.437 6.951 1.00 0.00 H new ATOM 0 HD2 ARG B 90 23.008 2.319 6.269 1.00 0.00 H new ATOM 0 HD3 ARG B 90 23.653 1.895 7.842 1.00 0.00 H new ATOM 0 HE ARG B 90 22.823 -0.009 5.700 1.00 0.00 H new ATOM 0 HH11 ARG B 90 24.293 0.529 8.897 1.00 0.00 H new ATOM 0 HH12 ARG B 90 24.980 -1.097 8.966 1.00 0.00 H new ATOM 0 HH21 ARG B 90 23.718 -2.075 5.827 1.00 0.00 H new ATOM 0 HH22 ARG B 90 24.657 -2.557 7.244 1.00 0.00 H new ATOM 1549 N GLU B 94 12.817 8.271 6.968 1.00 0.00 N ATOM 1550 CA GLU B 94 12.038 7.197 6.307 1.00 0.00 C ATOM 1551 C GLU B 94 11.680 7.528 4.835 1.00 0.00 C ATOM 1552 O GLU B 94 10.536 7.904 4.542 1.00 0.00 O ATOM 1553 CB GLU B 94 10.773 6.960 7.153 1.00 0.00 C ATOM 1554 CG GLU B 94 10.991 6.012 8.322 1.00 0.00 C ATOM 1555 CD GLU B 94 9.734 5.798 9.140 1.00 0.00 C ATOM 1556 OE1 GLU B 94 9.510 6.570 10.097 1.00 0.00 O1- ATOM 1557 OE2 GLU B 94 8.971 4.860 8.825 1.00 0.00 O ATOM 0 HA GLU B 94 12.645 6.293 6.254 1.00 0.00 H new ATOM 0 HB2 GLU B 94 10.416 7.917 7.534 1.00 0.00 H new ATOM 0 HB3 GLU B 94 9.988 6.559 6.512 1.00 0.00 H new ATOM 0 HG2 GLU B 94 11.343 5.052 7.945 1.00 0.00 H new ATOM 0 HG3 GLU B 94 11.776 6.409 8.966 1.00 0.00 H new ATOM 1564 N VAL B 95 12.662 7.405 3.902 1.00 0.00 N ATOM 1565 CA VAL B 95 12.398 7.820 2.506 1.00 0.00 C ATOM 1566 C VAL B 95 11.602 6.836 1.565 1.00 0.00 C ATOM 1567 O VAL B 95 10.367 6.967 1.483 1.00 0.00 O ATOM 1568 CB VAL B 95 13.774 8.179 1.855 1.00 0.00 C ATOM 1569 CG1 VAL B 95 13.631 8.569 0.383 1.00 0.00 C ATOM 1570 CG2 VAL B 95 14.449 9.321 2.609 1.00 0.00 C ATOM 0 H VAL B 95 13.598 7.040 4.081 1.00 0.00 H new ATOM 0 HA VAL B 95 11.709 8.660 2.593 1.00 0.00 H new ATOM 0 HB VAL B 95 14.390 7.282 1.915 1.00 0.00 H new ATOM 0 HG11 VAL B 95 14.612 8.810 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL B 95 13.200 7.737 -0.174 1.00 0.00 H new ATOM 0 HG13 VAL B 95 12.979 9.439 0.299 1.00 0.00 H new ATOM 0 HG21 VAL B 95 15.404 9.553 2.138 1.00 0.00 H new ATOM 0 HG22 VAL B 95 13.808 10.202 2.584 1.00 0.00 H new ATOM 0 HG23 VAL B 95 14.617 9.024 3.644 1.00 0.00 H new ATOM 1580 N PHE B 96 12.249 5.772 0.968 1.00 0.00 N ATOM 1581 CA PHE B 96 11.525 4.867 0.054 1.00 0.00 C ATOM 1582 C PHE B 96 10.792 3.825 0.827 1.00 0.00 C ATOM 1583 O PHE B 96 9.566 3.760 0.835 1.00 0.00 O ATOM 1584 CB PHE B 96 12.423 4.235 -1.016 1.00 0.00 C ATOM 1585 CG PHE B 96 11.913 4.469 -2.413 1.00 0.00 C ATOM 1586 CD1 PHE B 96 10.982 3.607 -2.974 1.00 0.00 C ATOM 1587 CD2 PHE B 96 12.350 5.552 -3.159 1.00 0.00 C ATOM 1588 CE1 PHE B 96 10.498 3.820 -4.250 1.00 0.00 C ATOM 1589 CE2 PHE B 96 11.867 5.770 -4.437 1.00 0.00 C ATOM 1590 CZ PHE B 96 10.939 4.902 -4.982 1.00 0.00 C ATOM 0 H PHE B 96 13.233 5.543 1.108 1.00 0.00 H new ATOM 0 HA PHE B 96 10.805 5.481 -0.488 1.00 0.00 H new ATOM 0 HB2 PHE B 96 13.430 4.644 -0.928 1.00 0.00 H new ATOM 0 HB3 PHE B 96 12.497 3.163 -0.835 1.00 0.00 H new ATOM 0 HD1 PHE B 96 10.631 2.758 -2.406 1.00 0.00 H new ATOM 0 HD2 PHE B 96 13.075 6.233 -2.738 1.00 0.00 H new ATOM 0 HE1 PHE B 96 9.775 3.139 -4.674 1.00 0.00 H new ATOM 0 HE2 PHE B 96 12.215 6.618 -5.009 1.00 0.00 H new ATOM 0 HZ PHE B 96 10.560 5.071 -5.979 1.00 0.00 H new ATOM 1600 N TRP B 97 11.614 3.018 1.499 1.00 0.00 N ATOM 1601 CA TRP B 97 11.176 1.966 2.364 1.00 0.00 C ATOM 1602 C TRP B 97 10.380 2.638 3.504 1.00 0.00 C ATOM 1603 O TRP B 97 9.305 2.199 3.873 1.00 0.00 O ATOM 1604 CB TRP B 97 12.466 1.159 2.786 1.00 0.00 C ATOM 1605 CG TRP B 97 12.546 0.618 4.221 1.00 0.00 C ATOM 1606 CD1 TRP B 97 11.978 1.141 5.356 1.00 0.00 C ATOM 1607 CD2 TRP B 97 13.282 -0.530 4.668 1.00 0.00 C ATOM 1608 NE1 TRP B 97 12.244 0.349 6.437 1.00 0.00 N ATOM 1609 CE2 TRP B 97 13.056 -0.663 6.053 1.00 0.00 C ATOM 1610 CE3 TRP B 97 14.089 -1.470 4.037 1.00 0.00 C ATOM 1611 CZ2 TRP B 97 13.601 -1.686 6.807 1.00 0.00 C ATOM 1612 CZ3 TRP B 97 14.637 -2.483 4.796 1.00 0.00 C ATOM 1613 CH2 TRP B 97 14.387 -2.581 6.166 1.00 0.00 C ATOM 0 H TRP B 97 12.629 3.096 1.442 1.00 0.00 H new ATOM 0 HA TRP B 97 10.502 1.234 1.919 1.00 0.00 H new ATOM 0 HB2 TRP B 97 12.568 0.314 2.105 1.00 0.00 H new ATOM 0 HB3 TRP B 97 13.330 1.804 2.625 1.00 0.00 H new ATOM 0 HD1 TRP B 97 11.400 2.053 5.390 1.00 0.00 H new ATOM 0 HE1 TRP B 97 11.888 0.497 7.381 1.00 0.00 H new ATOM 0 HE3 TRP B 97 14.282 -1.408 2.976 1.00 0.00 H new ATOM 0 HZ2 TRP B 97 13.407 -1.767 7.866 1.00 0.00 H new ATOM 0 HZ3 TRP B 97 15.273 -3.215 4.321 1.00 0.00 H new ATOM 0 HH2 TRP B 97 14.831 -3.390 6.727 1.00 0.00 H new ATOM 1624 N GLY B 98 10.901 3.776 3.967 1.00 0.00 N ATOM 1625 CA GLY B 98 10.300 4.549 5.051 1.00 0.00 C ATOM 1626 C GLY B 98 8.792 4.779 4.974 1.00 0.00 C ATOM 1627 O GLY B 98 8.111 4.604 5.986 1.00 0.00 O ATOM 0 H GLY B 98 11.757 4.188 3.597 1.00 0.00 H new ATOM 0 HA2 GLY B 98 10.520 4.044 5.992 1.00 0.00 H new ATOM 0 HA3 GLY B 98 10.791 5.521 5.089 1.00 0.00 H new ATOM 1631 N GLN B 99 8.270 5.186 3.796 1.00 0.00 N ATOM 1632 CA GLN B 99 6.809 5.436 3.629 1.00 0.00 C ATOM 1633 C GLN B 99 5.925 4.223 4.044 1.00 0.00 C ATOM 1634 O GLN B 99 5.519 3.408 3.212 1.00 0.00 O ATOM 1635 CB GLN B 99 6.506 5.855 2.183 1.00 0.00 C ATOM 1636 CG GLN B 99 6.944 7.274 1.850 1.00 0.00 C ATOM 1637 CD GLN B 99 6.635 7.658 0.416 1.00 0.00 C ATOM 1638 OE1 GLN B 99 7.451 7.455 -0.483 1.00 0.00 O ATOM 1639 NE2 GLN B 99 5.452 8.219 0.197 1.00 0.00 N ATOM 0 H GLN B 99 8.823 5.348 2.955 1.00 0.00 H new ATOM 0 HA GLN B 99 6.550 6.248 4.308 1.00 0.00 H new ATOM 0 HB2 GLN B 99 7.002 5.163 1.503 1.00 0.00 H new ATOM 0 HB3 GLN B 99 5.434 5.764 2.005 1.00 0.00 H new ATOM 0 HG2 GLN B 99 6.447 7.971 2.524 1.00 0.00 H new ATOM 0 HG3 GLN B 99 8.016 7.370 2.025 1.00 0.00 H new ATOM 0 HE21 GLN B 99 4.807 8.368 0.973 1.00 0.00 H new ATOM 0 HE22 GLN B 99 5.188 8.501 -0.747 1.00 0.00 H new ATOM 1648 N ASP B 100 5.619 4.154 5.361 1.00 0.00 N ATOM 1649 CA ASP B 100 4.801 3.088 6.007 1.00 0.00 C ATOM 1650 C ASP B 100 4.997 1.670 5.405 1.00 0.00 C ATOM 1651 O ASP B 100 6.034 1.046 5.630 1.00 0.00 O ATOM 1652 CB ASP B 100 3.319 3.500 6.028 1.00 0.00 C ATOM 1653 CG ASP B 100 3.052 4.610 7.027 1.00 0.00 C ATOM 1654 OD1 ASP B 100 3.224 5.793 6.661 1.00 0.00 O1- ATOM 1655 OD2 ASP B 100 2.683 4.297 8.178 1.00 0.00 O ATOM 0 H ASP B 100 5.941 4.856 6.027 1.00 0.00 H new ATOM 0 HA ASP B 100 5.167 3.000 7.030 1.00 0.00 H new ATOM 0 HB2 ASP B 100 3.020 3.828 5.033 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.705 2.634 6.276 1.00 0.00 H new ATOM 1660 N HIS B 101 3.992 1.179 4.651 1.00 0.00 N ATOM 1661 CA HIS B 101 4.011 -0.153 3.998 1.00 0.00 C ATOM 1662 C HIS B 101 5.265 -0.385 3.153 1.00 0.00 C ATOM 1663 O HIS B 101 5.789 -1.500 3.082 1.00 0.00 O ATOM 1664 CB HIS B 101 2.750 -0.375 3.170 1.00 0.00 C ATOM 1665 CG HIS B 101 1.914 -1.489 3.716 1.00 0.00 C ATOM 1666 ND1 HIS B 101 1.746 -2.694 3.069 1.00 0.00 N ATOM 1667 CD2 HIS B 101 1.238 -1.595 4.887 1.00 0.00 C ATOM 1668 CE1 HIS B 101 1.008 -3.492 3.819 1.00 0.00 C ATOM 1669 NE2 HIS B 101 0.690 -2.846 4.925 1.00 0.00 N ATOM 0 H HIS B 101 3.133 1.700 4.474 1.00 0.00 H new ATOM 0 HA HIS B 101 4.036 -0.889 4.801 1.00 0.00 H new ATOM 0 HB2 HIS B 101 2.163 0.543 3.149 1.00 0.00 H new ATOM 0 HB3 HIS B 101 3.027 -0.600 2.140 1.00 0.00 H new ATOM 0 HD2 HIS B 101 1.149 -0.833 5.647 1.00 0.00 H new ATOM 0 HE1 HIS B 101 0.715 -4.501 3.570 1.00 0.00 H new ATOM 0 HE2 HIS B 101 0.125 -3.221 5.687 1.00 0.00 H new ATOM 1678 N LYS B 102 5.710 0.695 2.518 1.00 0.00 N ATOM 1679 CA LYS B 102 6.888 0.736 1.639 1.00 0.00 C ATOM 1680 C LYS B 102 8.141 0.045 2.231 1.00 0.00 C ATOM 1681 O LYS B 102 8.957 -0.493 1.489 1.00 0.00 O ATOM 1682 CB LYS B 102 7.237 2.175 1.261 1.00 0.00 C ATOM 1683 CG LYS B 102 6.252 2.826 0.292 1.00 0.00 C ATOM 1684 CD LYS B 102 6.974 3.660 -0.763 1.00 0.00 C ATOM 1685 CE LYS B 102 6.066 4.719 -1.377 1.00 0.00 C ATOM 1686 NZ LYS B 102 5.026 4.125 -2.262 1.00 0.00 N1+ ATOM 0 H LYS B 102 5.248 1.601 2.600 1.00 0.00 H new ATOM 0 HA LYS B 102 6.602 0.170 0.752 1.00 0.00 H new ATOM 0 HB2 LYS B 102 7.286 2.775 2.169 1.00 0.00 H new ATOM 0 HB3 LYS B 102 8.231 2.190 0.815 1.00 0.00 H new ATOM 0 HG2 LYS B 102 5.657 2.054 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS B 102 5.559 3.459 0.846 1.00 0.00 H new ATOM 0 HD2 LYS B 102 7.840 4.143 -0.312 1.00 0.00 H new ATOM 0 HD3 LYS B 102 7.348 3.004 -1.549 1.00 0.00 H new ATOM 0 HE2 LYS B 102 5.583 5.286 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS B 102 6.669 5.424 -1.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 4.796 4.794 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 5.385 3.240 -2.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 4.170 3.925 -1.706 1.00 0.00 H new ATOM 1700 N VAL B 103 8.260 0.082 3.567 1.00 0.00 N ATOM 1701 CA VAL B 103 9.436 -0.401 4.344 1.00 0.00 C ATOM 1702 C VAL B 103 9.938 -1.762 3.869 1.00 0.00 C ATOM 1703 O VAL B 103 11.085 -1.888 3.462 1.00 0.00 O ATOM 1704 CB VAL B 103 9.115 -0.464 5.895 1.00 0.00 C ATOM 1705 CG1 VAL B 103 8.950 0.930 6.495 1.00 0.00 C ATOM 1706 CG2 VAL B 103 7.862 -1.292 6.215 1.00 0.00 C ATOM 0 H VAL B 103 7.524 0.458 4.164 1.00 0.00 H new ATOM 0 HA VAL B 103 10.229 0.326 4.170 1.00 0.00 H new ATOM 0 HB VAL B 103 9.976 -0.958 6.345 1.00 0.00 H new ATOM 0 HG11 VAL B 103 8.731 0.844 7.559 1.00 0.00 H new ATOM 0 HG12 VAL B 103 9.871 1.496 6.359 1.00 0.00 H new ATOM 0 HG13 VAL B 103 8.130 1.446 5.996 1.00 0.00 H new ATOM 0 HG21 VAL B 103 7.695 -1.298 7.292 1.00 0.00 H new ATOM 0 HG22 VAL B 103 6.998 -0.853 5.716 1.00 0.00 H new ATOM 0 HG23 VAL B 103 8.002 -2.315 5.864 1.00 0.00 H new ATOM 1716 N ASP B 104 9.120 -2.766 4.002 1.00 0.00 N ATOM 1717 CA ASP B 104 9.398 -4.087 3.485 1.00 0.00 C ATOM 1718 C ASP B 104 9.155 -4.153 1.968 1.00 0.00 C ATOM 1719 O ASP B 104 9.786 -4.935 1.252 1.00 0.00 O ATOM 1720 CB ASP B 104 8.729 -5.205 4.278 1.00 0.00 C ATOM 1721 CG ASP B 104 7.205 -5.122 4.342 1.00 0.00 C ATOM 1722 OD1 ASP B 104 6.686 -4.092 4.822 1.00 0.00 O1- ATOM 1723 OD2 ASP B 104 6.536 -6.088 3.913 1.00 0.00 O ATOM 0 H ASP B 104 8.222 -2.694 4.481 1.00 0.00 H new ATOM 0 HA ASP B 104 10.462 -4.273 3.632 1.00 0.00 H new ATOM 0 HB2 ASP B 104 9.008 -6.162 3.837 1.00 0.00 H new ATOM 0 HB3 ASP B 104 9.122 -5.196 5.295 1.00 0.00 H new ATOM 1728 N PHE B 105 8.204 -3.296 1.518 1.00 0.00 N ATOM 1729 CA PHE B 105 7.655 -3.308 0.154 1.00 0.00 C ATOM 1730 C PHE B 105 8.724 -3.303 -0.901 1.00 0.00 C ATOM 1731 O PHE B 105 8.551 -3.980 -1.921 1.00 0.00 O ATOM 1732 CB PHE B 105 6.655 -2.135 -0.097 1.00 0.00 C ATOM 1733 CG PHE B 105 7.023 -1.281 -1.329 1.00 0.00 C ATOM 1734 CD1 PHE B 105 7.888 -0.190 -1.226 1.00 0.00 C ATOM 1735 CD2 PHE B 105 6.529 -1.600 -2.592 1.00 0.00 C ATOM 1736 CE1 PHE B 105 8.239 0.551 -2.338 1.00 0.00 C ATOM 1737 CE2 PHE B 105 6.880 -0.853 -3.706 1.00 0.00 C ATOM 1738 CZ PHE B 105 7.733 0.222 -3.576 1.00 0.00 C ATOM 0 H PHE B 105 7.797 -2.570 2.107 1.00 0.00 H new ATOM 0 HA PHE B 105 7.107 -4.247 0.075 1.00 0.00 H new ATOM 0 HB2 PHE B 105 5.653 -2.542 -0.230 1.00 0.00 H new ATOM 0 HB3 PHE B 105 6.625 -1.496 0.785 1.00 0.00 H new ATOM 0 HD1 PHE B 105 8.290 0.079 -0.260 1.00 0.00 H new ATOM 0 HD2 PHE B 105 5.862 -2.442 -2.705 1.00 0.00 H new ATOM 0 HE1 PHE B 105 8.912 1.390 -2.236 1.00 0.00 H new ATOM 0 HE2 PHE B 105 6.485 -1.114 -4.677 1.00 0.00 H new ATOM 0 HZ PHE B 105 8.004 0.805 -4.444 1.00 0.00 H new ATOM 1748 N ILE B 106 9.812 -2.535 -0.696 1.00 0.00 N ATOM 1749 CA ILE B 106 10.832 -2.514 -1.755 1.00 0.00 C ATOM 1750 C ILE B 106 11.171 -3.946 -2.203 1.00 0.00 C ATOM 1751 O ILE B 106 10.880 -4.290 -3.344 1.00 0.00 O ATOM 1752 CB ILE B 106 12.178 -1.697 -1.509 1.00 0.00 C ATOM 1753 CG1 ILE B 106 12.642 -1.468 -0.049 1.00 0.00 C ATOM 1754 CG2 ILE B 106 12.075 -0.321 -2.161 1.00 0.00 C ATOM 1755 CD1 ILE B 106 11.591 -1.612 1.013 1.00 0.00 C ATOM 0 H ILE B 106 9.999 -1.963 0.127 1.00 0.00 H new ATOM 0 HA ILE B 106 10.336 -1.936 -2.535 1.00 0.00 H new ATOM 0 HB ILE B 106 12.927 -2.354 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE B 106 13.447 -2.170 0.168 1.00 0.00 H new ATOM 0 HG13 ILE B 106 13.065 -0.466 0.022 1.00 0.00 H new ATOM 0 HG21 ILE B 106 12.998 0.233 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE B 106 11.915 -0.437 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE B 106 11.238 0.226 -1.727 1.00 0.00 H new ATOM 0 HD11 ILE B 106 12.035 -1.429 1.991 1.00 0.00 H new ATOM 0 HD12 ILE B 106 10.793 -0.891 0.836 1.00 0.00 H new ATOM 0 HD13 ILE B 106 11.180 -2.621 0.984 1.00 0.00 H new ATOM 1767 N LEU B 107 11.710 -4.806 -1.348 1.00 0.00 N ATOM 1768 CA LEU B 107 12.000 -6.176 -1.796 1.00 0.00 C ATOM 1769 C LEU B 107 10.748 -7.066 -1.923 1.00 0.00 C ATOM 1770 O LEU B 107 10.637 -7.831 -2.885 1.00 0.00 O ATOM 1771 CB LEU B 107 13.117 -6.835 -0.967 1.00 0.00 C ATOM 1772 CG LEU B 107 13.041 -8.368 -0.823 1.00 0.00 C ATOM 1773 CD1 LEU B 107 14.410 -8.994 -0.965 1.00 0.00 C ATOM 1774 CD2 LEU B 107 12.425 -8.746 0.516 1.00 0.00 C ATOM 0 H LEU B 107 11.950 -4.600 -0.378 1.00 0.00 H new ATOM 0 HA LEU B 107 12.379 -6.077 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU B 107 14.076 -6.580 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU B 107 13.108 -6.396 0.031 1.00 0.00 H new ATOM 0 HG LEU B 107 12.407 -8.751 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU B 107 14.328 -10.076 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU B 107 14.819 -8.755 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU B 107 15.071 -8.603 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU B 107 12.379 -9.832 0.602 1.00 0.00 H new ATOM 0 HD22 LEU B 107 13.036 -8.344 1.324 1.00 0.00 H new ATOM 0 HD23 LEU B 107 11.418 -8.333 0.583 1.00 0.00 H new ATOM 1786 N GLN B 108 9.820 -6.964 -0.960 1.00 0.00 N ATOM 1787 CA GLN B 108 8.593 -7.788 -0.953 1.00 0.00 C ATOM 1788 C GLN B 108 7.746 -7.622 -2.229 1.00 0.00 C ATOM 1789 O GLN B 108 7.117 -6.580 -2.450 1.00 0.00 O ATOM 1790 CB GLN B 108 7.746 -7.475 0.290 1.00 0.00 C ATOM 1791 CG GLN B 108 8.286 -8.080 1.583 1.00 0.00 C ATOM 1792 CD GLN B 108 7.986 -9.564 1.717 1.00 0.00 C ATOM 1793 OE1 GLN B 108 6.951 -9.952 2.260 1.00 0.00 O ATOM 1794 NE2 GLN B 108 8.892 -10.399 1.223 1.00 0.00 N ATOM 0 H GLN B 108 9.892 -6.319 -0.173 1.00 0.00 H new ATOM 0 HA GLN B 108 8.917 -8.828 -0.924 1.00 0.00 H new ATOM 0 HB2 GLN B 108 7.680 -6.393 0.408 1.00 0.00 H new ATOM 0 HB3 GLN B 108 6.732 -7.840 0.127 1.00 0.00 H new ATOM 0 HG2 GLN B 108 9.365 -7.928 1.626 1.00 0.00 H new ATOM 0 HG3 GLN B 108 7.856 -7.550 2.433 1.00 0.00 H new ATOM 0 HE21 GLN B 108 9.735 -10.033 0.781 1.00 0.00 H new ATOM 0 HE22 GLN B 108 8.745 -11.406 1.285 1.00 0.00 H new ATOM 1803 N ARG B 109 7.761 -8.682 -3.069 1.00 0.00 N ATOM 1804 CA ARG B 109 7.007 -8.755 -4.350 1.00 0.00 C ATOM 1805 C ARG B 109 7.228 -7.523 -5.253 1.00 0.00 C ATOM 1806 O ARG B 109 6.277 -6.833 -5.643 1.00 0.00 O ATOM 1807 CB ARG B 109 5.500 -8.981 -4.086 1.00 0.00 C ATOM 1808 CG ARG B 109 5.164 -10.365 -3.534 1.00 0.00 C ATOM 1809 CD ARG B 109 4.932 -11.379 -4.647 1.00 0.00 C ATOM 1810 NE ARG B 109 4.625 -12.714 -4.119 1.00 0.00 N ATOM 1811 CZ ARG B 109 4.473 -13.815 -4.869 1.00 0.00 C ATOM 1812 NH1 ARG B 109 4.596 -13.769 -6.195 1.00 0.00 N1+ ATOM 1813 NH2 ARG B 109 4.194 -14.972 -4.285 1.00 0.00 N ATOM 0 H ARG B 109 8.303 -9.524 -2.877 1.00 0.00 H new ATOM 0 HA ARG B 109 7.403 -9.611 -4.895 1.00 0.00 H new ATOM 0 HB2 ARG B 109 5.148 -8.226 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG B 109 4.953 -8.830 -5.016 1.00 0.00 H new ATOM 0 HG2 ARG B 109 5.977 -10.708 -2.894 1.00 0.00 H new ATOM 0 HG3 ARG B 109 4.273 -10.300 -2.910 1.00 0.00 H new ATOM 0 HD2 ARG B 109 4.111 -11.042 -5.280 1.00 0.00 H new ATOM 0 HD3 ARG B 109 5.819 -11.434 -5.278 1.00 0.00 H new ATOM 0 HE ARG B 109 4.520 -12.811 -3.109 1.00 0.00 H new ATOM 0 HH11 ARG B 109 4.810 -12.885 -6.657 1.00 0.00 H new ATOM 0 HH12 ARG B 109 4.477 -14.618 -6.748 1.00 0.00 H new ATOM 0 HH21 ARG B 109 4.096 -15.021 -3.271 1.00 0.00 H new ATOM 0 HH22 ARG B 109 4.077 -15.813 -4.850 1.00 0.00 H new ATOM 1827 N GLU B 110 8.503 -7.257 -5.577 1.00 0.00 N ATOM 1828 CA GLU B 110 8.885 -6.119 -6.431 1.00 0.00 C ATOM 1829 C GLU B 110 10.183 -6.425 -7.214 1.00 0.00 C ATOM 1830 O GLU B 110 10.899 -7.363 -6.851 1.00 0.00 O ATOM 1831 CB GLU B 110 9.072 -4.850 -5.576 1.00 0.00 C ATOM 1832 CG GLU B 110 7.768 -4.191 -5.131 1.00 0.00 C ATOM 1833 CD GLU B 110 7.068 -3.434 -6.246 1.00 0.00 C ATOM 1834 OE1 GLU B 110 6.310 -4.069 -7.010 1.00 0.00 O1- ATOM 1835 OE2 GLU B 110 7.278 -2.208 -6.355 1.00 0.00 O ATOM 0 H GLU B 110 9.293 -7.818 -5.258 1.00 0.00 H new ATOM 0 HA GLU B 110 8.083 -5.951 -7.149 1.00 0.00 H new ATOM 0 HB2 GLU B 110 9.656 -5.105 -4.692 1.00 0.00 H new ATOM 0 HB3 GLU B 110 9.655 -4.126 -6.145 1.00 0.00 H new ATOM 0 HG2 GLU B 110 7.096 -4.956 -4.743 1.00 0.00 H new ATOM 0 HG3 GLU B 110 7.977 -3.505 -4.310 1.00 0.00 H new ATOM 1842 N PRO B 111 10.519 -5.646 -8.310 1.00 0.00 N ATOM 1843 CA PRO B 111 11.753 -5.868 -9.119 1.00 0.00 C ATOM 1844 C PRO B 111 13.054 -5.919 -8.295 1.00 0.00 C ATOM 1845 O PRO B 111 13.034 -5.740 -7.074 1.00 0.00 O ATOM 1846 CB PRO B 111 11.765 -4.664 -10.072 1.00 0.00 C ATOM 1847 CG PRO B 111 10.337 -4.297 -10.224 1.00 0.00 C ATOM 1848 CD PRO B 111 9.721 -4.521 -8.874 1.00 0.00 C ATOM 0 HA PRO B 111 11.726 -6.840 -9.612 1.00 0.00 H new ATOM 0 HB2 PRO B 111 12.345 -3.838 -9.661 1.00 0.00 H new ATOM 0 HB3 PRO B 111 12.213 -4.922 -11.032 1.00 0.00 H new ATOM 0 HG2 PRO B 111 10.230 -3.258 -10.537 1.00 0.00 H new ATOM 0 HG3 PRO B 111 9.853 -4.911 -10.983 1.00 0.00 H new ATOM 0 HD2 PRO B 111 9.787 -3.630 -8.250 1.00 0.00 H new ATOM 0 HD3 PRO B 111 8.665 -4.778 -8.952 1.00 0.00 H new ATOM 1856 N TYR B 112 14.186 -6.155 -8.989 1.00 0.00 N ATOM 1857 CA TYR B 112 15.520 -6.267 -8.362 1.00 0.00 C ATOM 1858 C TYR B 112 15.953 -5.003 -7.596 1.00 0.00 C ATOM 1859 O TYR B 112 16.530 -5.108 -6.509 1.00 0.00 O ATOM 1860 CB TYR B 112 16.591 -6.652 -9.405 1.00 0.00 C ATOM 1861 CG TYR B 112 16.638 -5.785 -10.655 1.00 0.00 C ATOM 1862 CD1 TYR B 112 17.295 -4.562 -10.655 1.00 0.00 C ATOM 1863 CD2 TYR B 112 16.034 -6.202 -11.834 1.00 0.00 C ATOM 1864 CE1 TYR B 112 17.346 -3.778 -11.791 1.00 0.00 C ATOM 1865 CE2 TYR B 112 16.084 -5.425 -12.976 1.00 0.00 C ATOM 1866 CZ TYR B 112 16.741 -4.213 -12.948 1.00 0.00 C ATOM 1867 OH TYR B 112 16.795 -3.436 -14.079 1.00 0.00 O ATOM 0 H TYR B 112 14.201 -6.274 -10.002 1.00 0.00 H new ATOM 0 HA TYR B 112 15.431 -7.062 -7.622 1.00 0.00 H new ATOM 0 HB2 TYR B 112 17.569 -6.617 -8.924 1.00 0.00 H new ATOM 0 HB3 TYR B 112 16.421 -7.685 -9.708 1.00 0.00 H new ATOM 0 HD1 TYR B 112 17.775 -4.218 -9.751 1.00 0.00 H new ATOM 0 HD2 TYR B 112 15.516 -7.150 -11.859 1.00 0.00 H new ATOM 0 HE1 TYR B 112 17.859 -2.828 -11.771 1.00 0.00 H new ATOM 0 HE2 TYR B 112 15.611 -5.765 -13.885 1.00 0.00 H new ATOM 0 HH TYR B 112 16.320 -3.887 -14.808 1.00 0.00 H new ATOM 1877 N CYS B 113 15.676 -3.819 -8.169 1.00 0.00 N ATOM 1878 CA CYS B 113 16.052 -2.525 -7.560 1.00 0.00 C ATOM 1879 C CYS B 113 15.496 -2.353 -6.138 1.00 0.00 C ATOM 1880 O CYS B 113 16.221 -1.954 -5.226 1.00 0.00 O ATOM 1881 CB CYS B 113 15.576 -1.369 -8.446 1.00 0.00 C ATOM 1882 SG CYS B 113 16.483 -1.205 -10.002 1.00 0.00 S ATOM 0 H CYS B 113 15.189 -3.729 -9.061 1.00 0.00 H new ATOM 0 HA CYS B 113 17.139 -2.515 -7.484 1.00 0.00 H new ATOM 0 HB2 CYS B 113 14.518 -1.508 -8.668 1.00 0.00 H new ATOM 0 HB3 CYS B 113 15.664 -0.437 -7.887 1.00 0.00 H new ATOM 0 HG CYS B 113 16.891 -2.376 -10.392 1.00 0.00 H new ATOM 1888 N ARG B 114 14.208 -2.661 -5.960 1.00 0.00 N ATOM 1889 CA ARG B 114 13.540 -2.548 -4.676 1.00 0.00 C ATOM 1890 C ARG B 114 13.981 -3.717 -3.808 1.00 0.00 C ATOM 1891 O ARG B 114 14.198 -3.584 -2.602 1.00 0.00 O ATOM 1892 CB ARG B 114 12.015 -2.466 -4.857 1.00 0.00 C ATOM 1893 CG ARG B 114 11.565 -1.258 -5.678 1.00 0.00 C ATOM 1894 CD ARG B 114 10.056 -1.078 -5.659 1.00 0.00 C ATOM 1895 NE ARG B 114 9.654 0.211 -6.236 1.00 0.00 N ATOM 1896 CZ ARG B 114 9.027 0.361 -7.413 1.00 0.00 C ATOM 1897 NH1 ARG B 114 8.716 -0.691 -8.169 1.00 0.00 N1+ ATOM 1898 NH2 ARG B 114 8.711 1.578 -7.834 1.00 0.00 N ATOM 0 H ARG B 114 13.604 -2.996 -6.710 1.00 0.00 H new ATOM 0 HA ARG B 114 13.822 -1.623 -4.173 1.00 0.00 H new ATOM 0 HB2 ARG B 114 11.665 -3.377 -5.343 1.00 0.00 H new ATOM 0 HB3 ARG B 114 11.542 -2.426 -3.876 1.00 0.00 H new ATOM 0 HG2 ARG B 114 12.041 -0.358 -5.288 1.00 0.00 H new ATOM 0 HG3 ARG B 114 11.902 -1.376 -6.708 1.00 0.00 H new ATOM 0 HD2 ARG B 114 9.586 -1.888 -6.216 1.00 0.00 H new ATOM 0 HD3 ARG B 114 9.695 -1.146 -4.633 1.00 0.00 H new ATOM 0 HE ARG B 114 9.867 1.054 -5.703 1.00 0.00 H new ATOM 0 HH11 ARG B 114 8.955 -1.632 -7.856 1.00 0.00 H new ATOM 0 HH12 ARG B 114 8.239 -0.555 -9.060 1.00 0.00 H new ATOM 0 HH21 ARG B 114 8.945 2.391 -7.264 1.00 0.00 H new ATOM 0 HH22 ARG B 114 8.234 1.701 -8.727 1.00 0.00 H new ATOM 1912 N ASP B 115 14.105 -4.872 -4.484 1.00 0.00 N ATOM 1913 CA ASP B 115 14.535 -6.137 -3.892 1.00 0.00 C ATOM 1914 C ASP B 115 15.828 -5.985 -3.084 1.00 0.00 C ATOM 1915 O ASP B 115 15.946 -6.548 -2.012 1.00 0.00 O ATOM 1916 CB ASP B 115 14.733 -7.183 -4.995 1.00 0.00 C ATOM 1917 CG ASP B 115 14.466 -8.599 -4.516 1.00 0.00 C ATOM 1918 OD1 ASP B 115 13.285 -9.002 -4.483 1.00 0.00 O ATOM 1919 OD2 ASP B 115 15.439 -9.305 -4.178 1.00 0.00 O1- ATOM 0 H ASP B 115 13.903 -4.947 -5.481 1.00 0.00 H new ATOM 0 HA ASP B 115 13.754 -6.462 -3.205 1.00 0.00 H new ATOM 0 HB2 ASP B 115 14.070 -6.955 -5.829 1.00 0.00 H new ATOM 0 HB3 ASP B 115 15.754 -7.118 -5.372 1.00 0.00 H new ATOM 1924 N ILE B 116 16.756 -5.182 -3.615 1.00 0.00 N ATOM 1925 CA ILE B 116 18.082 -4.968 -3.032 1.00 0.00 C ATOM 1926 C ILE B 116 17.984 -4.012 -1.846 1.00 0.00 C ATOM 1927 O ILE B 116 18.661 -4.177 -0.839 1.00 0.00 O ATOM 1928 CB ILE B 116 19.141 -4.512 -4.103 1.00 0.00 C ATOM 1929 CG1 ILE B 116 20.570 -4.515 -3.527 1.00 0.00 C ATOM 1930 CG2 ILE B 116 18.822 -3.152 -4.711 1.00 0.00 C ATOM 1931 CD1 ILE B 116 21.265 -5.861 -3.610 1.00 0.00 C ATOM 0 H ILE B 116 16.603 -4.655 -4.475 1.00 0.00 H new ATOM 0 HA ILE B 116 18.450 -5.923 -2.658 1.00 0.00 H new ATOM 0 HB ILE B 116 19.086 -5.248 -4.905 1.00 0.00 H new ATOM 0 HG12 ILE B 116 21.167 -3.775 -4.060 1.00 0.00 H new ATOM 0 HG13 ILE B 116 20.531 -4.201 -2.484 1.00 0.00 H new ATOM 0 HG21 ILE B 116 19.587 -2.892 -5.442 1.00 0.00 H new ATOM 0 HG22 ILE B 116 17.850 -3.192 -5.202 1.00 0.00 H new ATOM 0 HG23 ILE B 116 18.800 -2.398 -3.924 1.00 0.00 H new ATOM 0 HD11 ILE B 116 22.265 -5.781 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE B 116 20.692 -6.601 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE B 116 21.338 -6.169 -4.653 1.00 0.00 H new ATOM 1943 N ASN B 117 17.135 -2.995 -2.029 1.00 0.00 N ATOM 1944 CA ASN B 117 16.890 -1.949 -1.040 1.00 0.00 C ATOM 1945 C ASN B 117 16.570 -2.519 0.355 1.00 0.00 C ATOM 1946 O ASN B 117 17.333 -2.290 1.299 1.00 0.00 O ATOM 1947 CB ASN B 117 15.722 -1.114 -1.552 1.00 0.00 C ATOM 1948 CG ASN B 117 16.092 -0.130 -2.658 1.00 0.00 C ATOM 1949 OD1 ASN B 117 15.372 0.836 -2.898 1.00 0.00 O ATOM 1950 ND2 ASN B 117 17.208 -0.368 -3.342 1.00 0.00 N ATOM 0 H ASN B 117 16.592 -2.877 -2.884 1.00 0.00 H new ATOM 0 HA ASN B 117 17.791 -1.347 -0.920 1.00 0.00 H new ATOM 0 HB2 ASN B 117 14.946 -1.784 -1.922 1.00 0.00 H new ATOM 0 HB3 ASN B 117 15.293 -0.560 -0.717 1.00 0.00 H new ATOM 0 HD21 ASN B 117 17.490 0.262 -4.093 1.00 0.00 H new ATOM 0 HD22 ASN B 117 17.782 -1.180 -3.115 1.00 0.00 H new ATOM 1957 N GLN B 118 15.450 -3.255 0.484 1.00 0.00 N ATOM 1958 CA GLN B 118 15.090 -3.897 1.755 1.00 0.00 C ATOM 1959 C GLN B 118 15.992 -5.111 1.991 1.00 0.00 C ATOM 1960 O GLN B 118 16.390 -5.380 3.121 1.00 0.00 O ATOM 1961 CB GLN B 118 13.577 -4.217 1.857 1.00 0.00 C ATOM 1962 CG GLN B 118 13.213 -5.508 2.616 1.00 0.00 C ATOM 1963 CD GLN B 118 12.288 -5.298 3.815 1.00 0.00 C ATOM 1964 OE1 GLN B 118 11.538 -6.200 4.183 1.00 0.00 O ATOM 1965 NE2 GLN B 118 12.339 -4.116 4.438 1.00 0.00 N ATOM 0 H GLN B 118 14.785 -3.417 -0.273 1.00 0.00 H new ATOM 0 HA GLN B 118 15.268 -3.190 2.566 1.00 0.00 H new ATOM 0 HB2 GLN B 118 13.080 -3.379 2.345 1.00 0.00 H new ATOM 0 HB3 GLN B 118 13.171 -4.285 0.848 1.00 0.00 H new ATOM 0 HG2 GLN B 118 12.736 -6.200 1.922 1.00 0.00 H new ATOM 0 HG3 GLN B 118 14.131 -5.983 2.960 1.00 0.00 H new ATOM 0 HE21 GLN B 118 12.974 -3.391 4.104 1.00 0.00 H new ATOM 0 HE22 GLN B 118 11.743 -3.940 5.247 1.00 0.00 H new ATOM 1974 N LEU B 119 16.284 -5.850 0.908 1.00 0.00 N ATOM 1975 CA LEU B 119 17.165 -7.026 0.960 1.00 0.00 C ATOM 1976 C LEU B 119 18.469 -6.668 1.668 1.00 0.00 C ATOM 1977 O LEU B 119 18.887 -7.354 2.599 1.00 0.00 O ATOM 1978 CB LEU B 119 17.483 -7.480 -0.468 1.00 0.00 C ATOM 1979 CG LEU B 119 17.809 -8.979 -0.678 1.00 0.00 C ATOM 1980 CD1 LEU B 119 17.752 -9.335 -2.157 1.00 0.00 C ATOM 1981 CD2 LEU B 119 19.189 -9.340 -0.127 1.00 0.00 C ATOM 0 H LEU B 119 15.918 -5.650 -0.023 1.00 0.00 H new ATOM 0 HA LEU B 119 16.664 -7.825 1.506 1.00 0.00 H new ATOM 0 HB2 LEU B 119 16.632 -7.228 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU B 119 18.331 -6.896 -0.827 1.00 0.00 H new ATOM 0 HG LEU B 119 17.058 -9.551 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU B 119 17.984 -10.392 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU B 119 16.752 -9.133 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU B 119 18.479 -8.735 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU B 119 19.381 -10.400 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU B 119 19.950 -8.749 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU B 119 19.221 -9.129 0.942 1.00 0.00 H new ATOM 1993 N SER B 120 19.090 -5.565 1.225 1.00 0.00 N ATOM 1994 CA SER B 120 20.336 -5.085 1.829 1.00 0.00 C ATOM 1995 C SER B 120 20.090 -4.496 3.226 1.00 0.00 C ATOM 1996 O SER B 120 20.812 -4.825 4.167 1.00 0.00 O ATOM 1997 CB SER B 120 21.013 -4.044 0.933 1.00 0.00 C ATOM 1998 OG SER B 120 21.329 -4.590 -0.335 1.00 0.00 O ATOM 0 H SER B 120 18.749 -4.992 0.453 1.00 0.00 H new ATOM 0 HA SER B 120 20.999 -5.944 1.931 1.00 0.00 H new ATOM 0 HB2 SER B 120 20.355 -3.184 0.808 1.00 0.00 H new ATOM 0 HB3 SER B 120 21.922 -3.682 1.413 1.00 0.00 H new ATOM 0 HG SER B 120 21.897 -3.962 -0.829 1.00 0.00 H new ATOM 2004 N GLU B 121 19.065 -3.631 3.356 1.00 0.00 N ATOM 2005 CA GLU B 121 18.751 -2.996 4.644 1.00 0.00 C ATOM 2006 C GLU B 121 18.085 -3.961 5.653 1.00 0.00 C ATOM 2007 O GLU B 121 18.687 -4.245 6.692 1.00 0.00 O ATOM 2008 CB GLU B 121 17.906 -1.731 4.409 1.00 0.00 C ATOM 2009 CG GLU B 121 17.495 -0.974 5.677 1.00 0.00 C ATOM 2010 CD GLU B 121 18.672 -0.476 6.504 1.00 0.00 C ATOM 2011 OE1 GLU B 121 19.429 -1.319 7.031 1.00 0.00 O1- ATOM 2012 OE2 GLU B 121 18.829 0.750 6.631 1.00 0.00 O ATOM 0 H GLU B 121 18.448 -3.360 2.591 1.00 0.00 H new ATOM 0 HA GLU B 121 19.694 -2.708 5.108 1.00 0.00 H new ATOM 0 HB2 GLU B 121 18.468 -1.053 3.767 1.00 0.00 H new ATOM 0 HB3 GLU B 121 17.004 -2.012 3.865 1.00 0.00 H new ATOM 0 HG2 GLU B 121 16.875 -0.123 5.396 1.00 0.00 H new ATOM 0 HG3 GLU B 121 16.879 -1.627 6.295 1.00 0.00 H new ATOM 2019 N ALA B 122 16.852 -4.458 5.367 1.00 0.00 N ATOM 2020 CA ALA B 122 16.177 -5.416 6.288 1.00 0.00 C ATOM 2021 C ALA B 122 17.023 -6.638 6.704 1.00 0.00 C ATOM 2022 O ALA B 122 17.005 -7.012 7.878 1.00 0.00 O ATOM 2023 CB ALA B 122 14.874 -5.908 5.687 1.00 0.00 C ATOM 0 H ALA B 122 16.317 -4.221 4.532 1.00 0.00 H new ATOM 0 HA ALA B 122 16.004 -4.839 7.196 1.00 0.00 H new ATOM 0 HB1 ALA B 122 14.397 -6.606 6.375 1.00 0.00 H new ATOM 0 HB2 ALA B 122 14.211 -5.061 5.512 1.00 0.00 H new ATOM 0 HB3 ALA B 122 15.077 -6.411 4.742 1.00 0.00 H new ATOM 2029 N LEU B 123 17.757 -7.258 5.763 1.00 0.00 N ATOM 2030 CA LEU B 123 18.562 -8.456 6.081 1.00 0.00 C ATOM 2031 C LEU B 123 19.817 -8.140 6.915 1.00 0.00 C ATOM 2032 O LEU B 123 20.084 -8.820 7.909 1.00 0.00 O ATOM 2033 CB LEU B 123 18.955 -9.199 4.794 1.00 0.00 C ATOM 2034 CG LEU B 123 19.239 -10.702 4.948 1.00 0.00 C ATOM 2035 CD1 LEU B 123 17.955 -11.515 4.845 1.00 0.00 C ATOM 2036 CD2 LEU B 123 20.245 -11.161 3.903 1.00 0.00 C ATOM 0 H LEU B 123 17.811 -6.957 4.790 1.00 0.00 H new ATOM 0 HA LEU B 123 17.929 -9.096 6.695 1.00 0.00 H new ATOM 0 HB2 LEU B 123 18.154 -9.073 4.065 1.00 0.00 H new ATOM 0 HB3 LEU B 123 19.842 -8.722 4.378 1.00 0.00 H new ATOM 0 HG LEU B 123 19.664 -10.867 5.938 1.00 0.00 H new ATOM 0 HD11 LEU B 123 18.185 -12.574 4.957 1.00 0.00 H new ATOM 0 HD12 LEU B 123 17.266 -11.208 5.632 1.00 0.00 H new ATOM 0 HD13 LEU B 123 17.494 -11.345 3.872 1.00 0.00 H new ATOM 0 HD21 LEU B 123 20.436 -12.227 4.025 1.00 0.00 H new ATOM 0 HD22 LEU B 123 19.844 -10.976 2.906 1.00 0.00 H new ATOM 0 HD23 LEU B 123 21.177 -10.609 4.028 1.00 0.00 H new ATOM 2048 N LEU B 124 20.578 -7.112 6.507 1.00 0.00 N ATOM 2049 CA LEU B 124 21.819 -6.727 7.204 1.00 0.00 C ATOM 2050 C LEU B 124 21.569 -6.048 8.559 1.00 0.00 C ATOM 2051 O LEU B 124 22.276 -6.329 9.529 1.00 0.00 O ATOM 2052 CB LEU B 124 22.680 -5.817 6.316 1.00 0.00 C ATOM 2053 CG LEU B 124 23.432 -6.523 5.175 1.00 0.00 C ATOM 2054 CD1 LEU B 124 23.761 -5.535 4.066 1.00 0.00 C ATOM 2055 CD2 LEU B 124 24.712 -7.177 5.686 1.00 0.00 C ATOM 0 H LEU B 124 20.357 -6.531 5.698 1.00 0.00 H new ATOM 0 HA LEU B 124 22.352 -7.656 7.407 1.00 0.00 H new ATOM 0 HB2 LEU B 124 22.039 -5.048 5.884 1.00 0.00 H new ATOM 0 HB3 LEU B 124 23.408 -5.307 6.947 1.00 0.00 H new ATOM 0 HG LEU B 124 22.783 -7.302 4.776 1.00 0.00 H new ATOM 0 HD11 LEU B 124 24.293 -6.050 3.266 1.00 0.00 H new ATOM 0 HD12 LEU B 124 22.838 -5.109 3.672 1.00 0.00 H new ATOM 0 HD13 LEU B 124 24.388 -4.737 4.464 1.00 0.00 H new ATOM 0 HD21 LEU B 124 25.224 -7.669 4.859 1.00 0.00 H new ATOM 0 HD22 LEU B 124 25.363 -6.416 6.115 1.00 0.00 H new ATOM 0 HD23 LEU B 124 24.464 -7.914 6.450 1.00 0.00 H new ATOM 2067 N SER B 125 20.566 -5.160 8.616 1.00 0.00 N ATOM 2068 CA SER B 125 20.241 -4.416 9.845 1.00 0.00 C ATOM 2069 C SER B 125 19.610 -5.302 10.932 1.00 0.00 C ATOM 2070 O SER B 125 19.980 -5.197 12.105 1.00 0.00 O ATOM 2071 CB SER B 125 19.309 -3.246 9.517 1.00 0.00 C ATOM 2072 OG SER B 125 19.253 -2.319 10.588 1.00 0.00 O ATOM 0 H SER B 125 19.963 -4.938 7.824 1.00 0.00 H new ATOM 0 HA SER B 125 21.182 -4.042 10.248 1.00 0.00 H new ATOM 0 HB2 SER B 125 19.657 -2.743 8.615 1.00 0.00 H new ATOM 0 HB3 SER B 125 18.308 -3.623 9.306 1.00 0.00 H new ATOM 0 HG SER B 125 19.247 -1.406 10.231 1.00 0.00 H new ATOM 2078 N LEU B 126 18.662 -6.168 10.537 1.00 0.00 N ATOM 2079 CA LEU B 126 17.970 -7.064 11.482 1.00 0.00 C ATOM 2080 C LEU B 126 18.863 -8.210 11.977 1.00 0.00 C ATOM 2081 O LEU B 126 18.915 -8.477 13.182 1.00 0.00 O ATOM 2082 CB LEU B 126 16.691 -7.631 10.846 1.00 0.00 C ATOM 2083 CG LEU B 126 15.414 -6.800 11.056 1.00 0.00 C ATOM 2084 CD1 LEU B 126 15.317 -5.670 10.039 1.00 0.00 C ATOM 2085 CD2 LEU B 126 14.186 -7.693 10.976 1.00 0.00 C ATOM 0 H LEU B 126 18.356 -6.267 9.569 1.00 0.00 H new ATOM 0 HA LEU B 126 17.710 -6.461 12.352 1.00 0.00 H new ATOM 0 HB2 LEU B 126 16.858 -7.741 9.775 1.00 0.00 H new ATOM 0 HB3 LEU B 126 16.521 -8.631 11.246 1.00 0.00 H new ATOM 0 HG LEU B 126 15.462 -6.353 12.049 1.00 0.00 H new ATOM 0 HD11 LEU B 126 14.404 -5.101 10.213 1.00 0.00 H new ATOM 0 HD12 LEU B 126 16.180 -5.012 10.143 1.00 0.00 H new ATOM 0 HD13 LEU B 126 15.298 -6.087 9.032 1.00 0.00 H new ATOM 0 HD21 LEU B 126 13.289 -7.092 11.126 1.00 0.00 H new ATOM 0 HD22 LEU B 126 14.145 -8.168 9.996 1.00 0.00 H new ATOM 0 HD23 LEU B 126 14.243 -8.460 11.749 1.00 0.00 H new ATOM 2097 N ASN B 127 19.563 -8.880 11.046 1.00 0.00 N ATOM 2098 CA ASN B 127 20.447 -10.008 11.386 1.00 0.00 C ATOM 2099 C ASN B 127 21.734 -9.545 12.090 1.00 0.00 C ATOM 2100 O ASN B 127 21.976 -9.916 13.242 1.00 0.00 O ATOM 2101 CB ASN B 127 20.784 -10.824 10.129 1.00 0.00 C ATOM 2102 CG ASN B 127 19.616 -11.668 9.656 1.00 0.00 C ATOM 2103 OD1 ASN B 127 19.465 -12.821 10.060 1.00 0.00 O ATOM 2104 ND2 ASN B 127 18.781 -11.098 8.795 1.00 0.00 N ATOM 0 H ASN B 127 19.534 -8.659 10.051 1.00 0.00 H new ATOM 0 HA ASN B 127 19.906 -10.643 12.088 1.00 0.00 H new ATOM 0 HB2 ASN B 127 21.086 -10.147 9.330 1.00 0.00 H new ATOM 0 HB3 ASN B 127 21.636 -11.472 10.337 1.00 0.00 H new ATOM 0 HD21 ASN B 127 17.978 -11.619 8.443 1.00 0.00 H new ATOM 0 HD22 ASN B 127 18.943 -10.140 8.486 1.00 0.00 H new ATOM 2111 N PHE B 128 22.550 -8.736 11.391 1.00 0.00 N ATOM 2112 CA PHE B 128 23.810 -8.214 11.942 1.00 0.00 C ATOM 2113 C PHE B 128 23.564 -7.128 12.996 1.00 0.00 C ATOM 2114 O PHE B 128 22.971 -6.083 12.649 1.00 0.00 O ATOM 2115 CB PHE B 128 24.702 -7.677 10.817 1.00 0.00 C ATOM 2116 CG PHE B 128 25.371 -8.756 10.009 1.00 0.00 C ATOM 2117 CD1 PHE B 128 24.731 -9.325 8.920 1.00 0.00 C ATOM 2118 CD2 PHE B 128 26.641 -9.198 10.341 1.00 0.00 C ATOM 2119 CE1 PHE B 128 25.346 -10.316 8.177 1.00 0.00 C ATOM 2120 CE2 PHE B 128 27.261 -10.189 9.603 1.00 0.00 C ATOM 2121 CZ PHE B 128 26.612 -10.747 8.519 1.00 0.00 C ATOM 2122 OXT PHE B 128 23.969 -7.335 14.160 1.00 0.00 O1- ATOM 0 H PHE B 128 22.356 -8.429 10.438 1.00 0.00 H new ATOM 0 HA PHE B 128 24.321 -9.040 12.436 1.00 0.00 H new ATOM 0 HB2 PHE B 128 24.100 -7.058 10.152 1.00 0.00 H new ATOM 0 HB3 PHE B 128 25.467 -7.031 11.248 1.00 0.00 H new ATOM 0 HD1 PHE B 128 23.741 -8.991 8.648 1.00 0.00 H new ATOM 0 HD2 PHE B 128 27.153 -8.763 11.187 1.00 0.00 H new ATOM 0 HE1 PHE B 128 24.837 -10.752 7.330 1.00 0.00 H new ATOM 0 HE2 PHE B 128 28.251 -10.526 9.874 1.00 0.00 H new ATOM 0 HZ PHE B 128 27.095 -11.520 7.939 1.00 0.00 H new