USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1087 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 -18:sc= 0.255 USER MOD Set 1.2: B 117 ASN : amide:sc= -9.35! C(o=-9.1!,f=-13!) USER MOD Set 2.1: A 54 LYS NZ :NH3+ -141:sc= 0.613 (180deg=0) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= 0.556 USER MOD Set 3.1: A 49 GLN : amide:sc= -5.56! C(o=-7.1!,f=-12!) USER MOD Set 3.2: A 50 MET CE :methyl -141:sc= -1.55 (180deg=-2.16!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.31 (180deg=1.05) 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 80:sc= 1.19 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= -1.73! (180deg=-2.35) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -98:sc= 0.0998 (180deg=-0.333) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= -1.63! (180deg=-1.65!) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= 0.808 (180deg=-3.74!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -2.47! K(o=-2.5!,f=0.0073) USER MOD Single : A 41 GLN : amide:sc= -1.69 K(o=-1.7,f=-6.7!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000833) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -30:sc= 1.26 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 74:sc= 0.118 USER MOD Single : A 68 HIS : no HD1:sc= -0.0691 X(o=-0.069,f=-0.54) USER MOD Single : B 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot 170:sc= 0.00234 USER MOD Single : B 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 99 GLN : amide:sc=-0.00371 X(o=-0.0037,f=0) USER MOD Single : B 101 HIS : no HD1:sc= -4.12! C(o=-4.1!,f=-9.4!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 108 GLN : amide:sc= -1.77! K(o=-1.8!,f=-0.42) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 113 CYS SG : rot 180:sc= -0.637 USER MOD Single : B 118 GLN : amide:sc= -11.1! C(o=-11!,f=-13!) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 125 SER OG : rot -150:sc= 0 USER MOD Single : B 127 ASN : amide:sc= -1.34! X(o=-1.3!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.341 5.196 13.865 1.00 0.00 N ATOM 2 CA MET A 1 -11.581 3.803 13.405 1.00 0.00 C ATOM 3 C MET A 1 -10.371 3.264 12.649 1.00 0.00 C ATOM 4 O MET A 1 -9.655 4.023 11.989 1.00 0.00 O ATOM 5 CB MET A 1 -12.821 3.742 12.506 1.00 0.00 C ATOM 6 CG MET A 1 -14.137 3.849 13.263 1.00 0.00 C ATOM 7 SD MET A 1 -14.355 5.451 14.063 1.00 0.00 S ATOM 8 CE MET A 1 -15.951 5.226 14.843 1.00 0.00 C ATOM 0 H1 MET A 1 -12.244 5.629 14.146 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.694 5.186 14.679 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.917 5.749 13.093 1.00 0.00 H new ATOM 0 HA MET A 1 -11.747 3.183 14.286 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.767 4.548 11.774 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.808 2.805 11.949 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.963 3.677 12.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.183 3.063 14.016 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.225 6.134 15.379 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.701 5.014 14.082 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.899 4.393 15.544 1.00 0.00 H new ATOM 20 N LEU A 2 -10.157 1.949 12.754 1.00 0.00 N ATOM 21 CA LEU A 2 -9.037 1.284 12.086 1.00 0.00 C ATOM 22 C LEU A 2 -9.520 0.083 11.280 1.00 0.00 C ATOM 23 O LEU A 2 -10.325 -0.715 11.764 1.00 0.00 O ATOM 24 CB LEU A 2 -7.987 0.836 13.114 1.00 0.00 C ATOM 25 CG LEU A 2 -7.230 1.966 13.824 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.987 2.434 15.063 1.00 0.00 C ATOM 27 CD2 LEU A 2 -5.827 1.514 14.198 1.00 0.00 C ATOM 0 H LEU A 2 -10.749 1.322 13.299 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.581 2.000 11.402 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.481 0.224 13.868 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.261 0.197 12.611 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.152 2.807 13.135 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -7.430 3.235 15.549 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.971 2.801 14.771 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.102 1.600 15.756 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.304 2.328 14.701 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.887 0.655 14.866 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.282 1.235 13.296 1.00 0.00 H new ATOM 39 N ILE A 3 -9.018 -0.032 10.049 1.00 0.00 N ATOM 40 CA ILE A 3 -9.388 -1.133 9.152 1.00 0.00 C ATOM 41 C ILE A 3 -8.166 -1.679 8.415 1.00 0.00 C ATOM 42 O ILE A 3 -7.209 -0.942 8.158 1.00 0.00 O ATOM 43 CB ILE A 3 -10.484 -0.721 8.128 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.232 0.687 7.543 1.00 0.00 C ATOM 45 CG2 ILE A 3 -11.857 -0.788 8.788 1.00 0.00 C ATOM 46 CD1 ILE A 3 -10.609 0.821 6.081 1.00 0.00 C ATOM 0 H ILE A 3 -8.351 0.627 9.647 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.803 -1.918 9.784 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.446 -1.424 7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.797 1.417 8.122 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.177 0.935 7.660 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.622 -0.499 8.067 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.047 -1.805 9.130 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.885 -0.108 9.639 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.403 1.837 5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.025 0.117 5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.670 0.606 5.958 1.00 0.00 H new ATOM 58 N LYS A 4 -8.211 -2.973 8.079 1.00 0.00 N ATOM 59 CA LYS A 4 -7.105 -3.632 7.378 1.00 0.00 C ATOM 60 C LYS A 4 -7.508 -4.033 5.962 1.00 0.00 C ATOM 61 O LYS A 4 -8.527 -4.703 5.765 1.00 0.00 O ATOM 62 CB LYS A 4 -6.639 -4.870 8.155 1.00 0.00 C ATOM 63 CG LYS A 4 -5.913 -4.549 9.459 1.00 0.00 C ATOM 64 CD LYS A 4 -5.529 -5.813 10.223 1.00 0.00 C ATOM 65 CE LYS A 4 -6.589 -6.203 11.248 1.00 0.00 C ATOM 66 NZ LYS A 4 -6.201 -7.421 12.011 1.00 0.00 N1+ ATOM 0 H LYS A 4 -9.002 -3.584 8.282 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.283 -2.919 7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.505 -5.494 8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.978 -5.458 7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.016 -3.970 9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.551 -3.926 10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.386 -6.633 9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.576 -5.656 10.728 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.747 -5.376 11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.537 -6.379 10.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.947 -7.653 12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.075 -8.217 11.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.309 -7.245 12.516 1.00 0.00 H new ATOM 80 N VAL A 5 -6.700 -3.613 4.980 1.00 0.00 N ATOM 81 CA VAL A 5 -6.955 -3.932 3.568 1.00 0.00 C ATOM 82 C VAL A 5 -6.015 -5.051 3.107 1.00 0.00 C ATOM 83 O VAL A 5 -4.879 -5.146 3.579 1.00 0.00 O ATOM 84 CB VAL A 5 -6.785 -2.688 2.641 1.00 0.00 C ATOM 85 CG1 VAL A 5 -7.360 -2.945 1.250 1.00 0.00 C ATOM 86 CG2 VAL A 5 -7.432 -1.447 3.243 1.00 0.00 C ATOM 0 H VAL A 5 -5.863 -3.051 5.137 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.992 -4.260 3.492 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.714 -2.510 2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.225 -2.058 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.843 -3.789 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.423 -3.172 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.293 -0.601 2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.498 -1.626 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.969 -1.225 4.204 1.00 0.00 H new ATOM 96 N LYS A 6 -6.502 -5.884 2.183 1.00 0.00 N ATOM 97 CA LYS A 6 -5.722 -7.002 1.648 1.00 0.00 C ATOM 98 C LYS A 6 -5.414 -6.806 0.166 1.00 0.00 C ATOM 99 O LYS A 6 -6.319 -6.563 -0.639 1.00 0.00 O ATOM 100 CB LYS A 6 -6.469 -8.322 1.855 1.00 0.00 C ATOM 101 CG LYS A 6 -6.333 -8.890 3.259 1.00 0.00 C ATOM 102 CD LYS A 6 -7.187 -10.134 3.443 1.00 0.00 C ATOM 103 CE LYS A 6 -6.991 -10.741 4.824 1.00 0.00 C ATOM 104 NZ LYS A 6 -7.838 -11.949 5.023 1.00 0.00 N1+ ATOM 0 H LYS A 6 -7.439 -5.804 1.788 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.777 -7.036 2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.526 -8.169 1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.098 -9.055 1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.288 -9.133 3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.627 -8.135 3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.238 -9.881 3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.931 -10.870 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.942 -11.006 4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.232 -9.999 5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.676 -12.333 5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.840 -11.691 4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.590 -12.667 4.313 1.00 0.00 H new ATOM 118 N THR A 7 -4.126 -6.911 -0.177 1.00 0.00 N ATOM 119 CA THR A 7 -3.662 -6.762 -1.558 1.00 0.00 C ATOM 120 C THR A 7 -3.534 -8.130 -2.239 1.00 0.00 C ATOM 121 O THR A 7 -3.458 -9.164 -1.565 1.00 0.00 O ATOM 122 CB THR A 7 -2.301 -6.025 -1.629 1.00 0.00 C ATOM 123 OG1 THR A 7 -2.045 -5.313 -0.412 1.00 0.00 O ATOM 124 CG2 THR A 7 -2.282 -5.043 -2.788 1.00 0.00 C ATOM 0 H THR A 7 -3.380 -7.101 0.492 1.00 0.00 H new ATOM 0 HA THR A 7 -4.407 -6.163 -2.082 1.00 0.00 H new ATOM 0 HB THR A 7 -1.526 -6.777 -1.778 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.714 -5.936 0.268 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.317 -4.536 -2.820 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.440 -5.580 -3.723 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.074 -4.307 -2.654 1.00 0.00 H new ATOM 132 N LEU A 8 -3.489 -8.120 -3.581 1.00 0.00 N ATOM 133 CA LEU A 8 -3.387 -9.352 -4.389 1.00 0.00 C ATOM 134 C LEU A 8 -2.027 -10.058 -4.244 1.00 0.00 C ATOM 135 O LEU A 8 -1.870 -11.199 -4.689 1.00 0.00 O ATOM 136 CB LEU A 8 -3.648 -9.033 -5.869 1.00 0.00 C ATOM 137 CG LEU A 8 -5.079 -8.592 -6.212 1.00 0.00 C ATOM 138 CD1 LEU A 8 -5.076 -7.692 -7.437 1.00 0.00 C ATOM 139 CD2 LEU A 8 -5.977 -9.802 -6.449 1.00 0.00 C ATOM 0 H LEU A 8 -3.522 -7.265 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.145 -10.038 -4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.961 -8.246 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.408 -9.917 -6.460 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.475 -8.032 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.097 -7.388 -7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.470 -6.808 -7.238 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.659 -8.234 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.985 -9.465 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.583 -10.391 -7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.005 -10.416 -5.549 1.00 0.00 H new ATOM 151 N THR A 9 -1.057 -9.377 -3.616 1.00 0.00 N ATOM 152 CA THR A 9 0.284 -9.940 -3.408 1.00 0.00 C ATOM 153 C THR A 9 0.381 -10.676 -2.061 1.00 0.00 C ATOM 154 O THR A 9 1.332 -11.431 -1.834 1.00 0.00 O ATOM 155 CB THR A 9 1.381 -8.845 -3.470 1.00 0.00 C ATOM 156 OG1 THR A 9 0.970 -7.774 -4.331 1.00 0.00 O ATOM 157 CG2 THR A 9 2.701 -9.414 -3.982 1.00 0.00 C ATOM 0 H THR A 9 -1.177 -8.435 -3.243 1.00 0.00 H new ATOM 0 HA THR A 9 0.450 -10.651 -4.217 1.00 0.00 H new ATOM 0 HB THR A 9 1.526 -8.470 -2.457 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.671 -7.090 -4.359 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.450 -8.623 -4.014 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.039 -10.207 -3.314 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.558 -9.820 -4.984 1.00 0.00 H new ATOM 165 N GLY A 10 -0.603 -10.447 -1.180 1.00 0.00 N ATOM 166 CA GLY A 10 -0.615 -11.089 0.129 1.00 0.00 C ATOM 167 C GLY A 10 -0.057 -10.197 1.225 1.00 0.00 C ATOM 168 O GLY A 10 0.688 -10.664 2.092 1.00 0.00 O ATOM 0 H GLY A 10 -1.393 -9.826 -1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.637 -11.371 0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.032 -12.009 0.083 1.00 0.00 H new ATOM 172 N LYS A 11 -0.422 -8.911 1.178 1.00 0.00 N ATOM 173 CA LYS A 11 0.028 -7.926 2.160 1.00 0.00 C ATOM 174 C LYS A 11 -1.146 -7.101 2.667 1.00 0.00 C ATOM 175 O LYS A 11 -1.941 -6.590 1.874 1.00 0.00 O ATOM 176 CB LYS A 11 1.084 -7.005 1.543 1.00 0.00 C ATOM 177 CG LYS A 11 2.480 -7.231 2.098 1.00 0.00 C ATOM 178 CD LYS A 11 3.549 -6.724 1.143 1.00 0.00 C ATOM 179 CE LYS A 11 4.946 -7.039 1.650 1.00 0.00 C ATOM 180 NZ LYS A 11 5.999 -6.573 0.707 1.00 0.00 N1+ ATOM 0 H LYS A 11 -1.036 -8.527 0.459 1.00 0.00 H new ATOM 0 HA LYS A 11 0.470 -8.459 3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.101 -7.156 0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.796 -5.968 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.578 -6.723 3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.631 -8.294 2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.406 -7.178 0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.442 -5.647 1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.094 -6.567 2.621 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.044 -8.114 1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.884 -6.409 1.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.156 -7.297 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.694 -5.687 0.256 1.00 0.00 H new ATOM 194 N GLU A 12 -1.253 -6.986 3.992 1.00 0.00 N ATOM 195 CA GLU A 12 -2.327 -6.215 4.619 1.00 0.00 C ATOM 196 C GLU A 12 -1.869 -4.783 4.907 1.00 0.00 C ATOM 197 O GLU A 12 -0.948 -4.572 5.702 1.00 0.00 O ATOM 198 CB GLU A 12 -2.796 -6.893 5.915 1.00 0.00 C ATOM 199 CG GLU A 12 -3.644 -8.135 5.687 1.00 0.00 C ATOM 200 CD GLU A 12 -4.043 -8.815 6.982 1.00 0.00 C ATOM 201 OE1 GLU A 12 -3.288 -9.695 7.449 1.00 0.00 O1- ATOM 202 OE2 GLU A 12 -5.112 -8.471 7.530 1.00 0.00 O ATOM 0 H GLU A 12 -0.607 -7.418 4.653 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.166 -6.177 3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.923 -7.165 6.508 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.370 -6.176 6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.542 -7.861 5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.090 -8.840 5.067 1.00 0.00 H new ATOM 209 N ILE A 13 -2.541 -3.804 4.273 1.00 0.00 N ATOM 210 CA ILE A 13 -2.222 -2.377 4.449 1.00 0.00 C ATOM 211 C ILE A 13 -3.011 -1.851 5.663 1.00 0.00 C ATOM 212 O ILE A 13 -4.193 -2.182 5.825 1.00 0.00 O ATOM 213 CB ILE A 13 -2.628 -1.539 3.196 1.00 0.00 C ATOM 214 CG1 ILE A 13 -1.878 -2.036 1.943 1.00 0.00 C ATOM 215 CG2 ILE A 13 -2.380 -0.038 3.420 1.00 0.00 C ATOM 216 CD1 ILE A 13 -2.635 -1.810 0.642 1.00 0.00 C ATOM 0 H ILE A 13 -3.313 -3.979 3.630 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.146 -2.278 4.595 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.697 -1.677 3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.914 -1.530 1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.673 -3.101 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.673 0.516 2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.969 0.305 4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.322 0.130 3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.044 -2.185 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.588 -2.339 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.817 -0.744 0.507 1.00 0.00 H new ATOM 228 N GLU A 14 -2.358 -1.041 6.498 1.00 0.00 N ATOM 229 CA GLU A 14 -2.994 -0.484 7.696 1.00 0.00 C ATOM 230 C GLU A 14 -3.409 0.973 7.481 1.00 0.00 C ATOM 231 O GLU A 14 -2.565 1.832 7.214 1.00 0.00 O ATOM 232 CB GLU A 14 -2.048 -0.597 8.895 1.00 0.00 C ATOM 233 CG GLU A 14 -2.003 -1.988 9.510 1.00 0.00 C ATOM 234 CD GLU A 14 -1.067 -2.068 10.699 1.00 0.00 C ATOM 235 OE1 GLU A 14 0.136 -2.331 10.490 1.00 0.00 O1- ATOM 236 OE2 GLU A 14 -1.537 -1.869 11.839 1.00 0.00 O ATOM 0 H GLU A 14 -1.388 -0.755 6.368 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.897 -1.061 7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.043 -0.316 8.581 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.356 0.118 9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.007 -2.276 9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.686 -2.706 8.754 1.00 0.00 H new ATOM 243 N ILE A 15 -4.717 1.238 7.603 1.00 0.00 N ATOM 244 CA ILE A 15 -5.259 2.595 7.427 1.00 0.00 C ATOM 245 C ILE A 15 -6.329 2.927 8.454 1.00 0.00 C ATOM 246 O ILE A 15 -6.912 2.033 9.074 1.00 0.00 O ATOM 247 CB ILE A 15 -5.867 2.847 6.020 1.00 0.00 C ATOM 248 CG1 ILE A 15 -6.413 1.561 5.369 1.00 0.00 C ATOM 249 CG2 ILE A 15 -4.841 3.518 5.134 1.00 0.00 C ATOM 250 CD1 ILE A 15 -7.639 1.792 4.504 1.00 0.00 C ATOM 0 H ILE A 15 -5.420 0.532 7.823 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.391 3.241 7.559 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.724 3.509 6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.629 1.110 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.661 0.844 6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.271 3.693 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.546 4.470 5.576 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.966 2.875 5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.968 0.844 4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.439 2.214 5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.391 2.484 3.699 1.00 0.00 H new ATOM 262 N ASP A 16 -6.575 4.234 8.621 1.00 0.00 N ATOM 263 CA ASP A 16 -7.587 4.719 9.544 1.00 0.00 C ATOM 264 C ASP A 16 -8.468 5.788 8.885 1.00 0.00 C ATOM 265 O ASP A 16 -7.975 6.843 8.474 1.00 0.00 O ATOM 266 CB ASP A 16 -6.946 5.250 10.844 1.00 0.00 C ATOM 267 CG ASP A 16 -5.863 6.298 10.615 1.00 0.00 C ATOM 268 OD1 ASP A 16 -4.683 5.913 10.477 1.00 0.00 O ATOM 269 OD2 ASP A 16 -6.199 7.501 10.576 1.00 0.00 O1- ATOM 0 H ASP A 16 -6.078 4.971 8.121 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.227 3.877 9.809 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.726 5.679 11.473 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.517 4.413 11.394 1.00 0.00 H new ATOM 274 N ILE A 17 -9.771 5.493 8.787 1.00 0.00 N ATOM 275 CA ILE A 17 -10.744 6.413 8.175 1.00 0.00 C ATOM 276 C ILE A 17 -12.107 6.341 8.879 1.00 0.00 C ATOM 277 O ILE A 17 -12.367 5.409 9.648 1.00 0.00 O ATOM 278 CB ILE A 17 -10.925 6.154 6.643 1.00 0.00 C ATOM 279 CG1 ILE A 17 -11.053 4.652 6.305 1.00 0.00 C ATOM 280 CG2 ILE A 17 -9.768 6.767 5.869 1.00 0.00 C ATOM 281 CD1 ILE A 17 -12.478 4.135 6.335 1.00 0.00 C ATOM 0 H ILE A 17 -10.179 4.621 9.125 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.334 7.415 8.301 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.860 6.630 6.346 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.634 4.475 5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.454 4.078 7.012 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.904 6.581 4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.739 7.842 6.049 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.831 6.318 6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.485 3.074 6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.896 4.278 7.331 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -13.079 4.681 5.608 1.00 0.00 H new ATOM 293 N GLU A 18 -12.967 7.333 8.606 1.00 0.00 N ATOM 294 CA GLU A 18 -14.307 7.397 9.203 1.00 0.00 C ATOM 295 C GLU A 18 -15.359 6.764 8.272 1.00 0.00 C ATOM 296 O GLU A 18 -15.146 6.718 7.057 1.00 0.00 O ATOM 297 CB GLU A 18 -14.688 8.850 9.512 1.00 0.00 C ATOM 298 CG GLU A 18 -13.953 9.441 10.706 1.00 0.00 C ATOM 299 CD GLU A 18 -14.358 10.873 10.990 1.00 0.00 C ATOM 300 OE1 GLU A 18 -15.315 11.077 11.767 1.00 0.00 O1- ATOM 301 OE2 GLU A 18 -13.719 11.793 10.435 1.00 0.00 O ATOM 0 H GLU A 18 -12.756 8.104 7.973 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.286 6.830 10.134 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.485 9.463 8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.761 8.902 9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.149 8.830 11.587 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.879 9.401 10.523 1.00 0.00 H new ATOM 308 N PRO A 19 -16.526 6.273 8.814 1.00 0.00 N ATOM 309 CA PRO A 19 -17.584 5.638 7.994 1.00 0.00 C ATOM 310 C PRO A 19 -18.385 6.627 7.136 1.00 0.00 C ATOM 311 O PRO A 19 -19.145 6.210 6.255 1.00 0.00 O ATOM 312 CB PRO A 19 -18.516 4.981 9.031 1.00 0.00 C ATOM 313 CG PRO A 19 -17.807 5.082 10.341 1.00 0.00 C ATOM 314 CD PRO A 19 -16.919 6.284 10.240 1.00 0.00 C ATOM 0 HA PRO A 19 -17.142 4.945 7.279 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -19.479 5.490 9.068 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.715 3.941 8.774 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.517 5.189 11.161 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.224 4.182 10.539 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -17.444 7.200 10.509 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.055 6.207 10.900 1.00 0.00 H new ATOM 322 N THR A 20 -18.207 7.930 7.397 1.00 0.00 N ATOM 323 CA THR A 20 -18.920 8.985 6.660 1.00 0.00 C ATOM 324 C THR A 20 -18.128 9.488 5.449 1.00 0.00 C ATOM 325 O THR A 20 -18.632 10.301 4.667 1.00 0.00 O ATOM 326 CB THR A 20 -19.247 10.185 7.575 1.00 0.00 C ATOM 327 OG1 THR A 20 -18.066 10.621 8.259 1.00 0.00 O ATOM 328 CG2 THR A 20 -20.320 9.820 8.589 1.00 0.00 C ATOM 0 H THR A 20 -17.573 8.280 8.115 1.00 0.00 H new ATOM 0 HA THR A 20 -19.845 8.530 6.305 1.00 0.00 H new ATOM 0 HB THR A 20 -19.622 10.994 6.949 1.00 0.00 H new ATOM 0 HG1 THR A 20 -18.284 11.383 8.835 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.532 10.682 9.221 1.00 0.00 H new ATOM 0 HG22 THR A 20 -21.229 9.522 8.066 1.00 0.00 H new ATOM 0 HG23 THR A 20 -19.970 8.994 9.208 1.00 0.00 H new ATOM 336 N ASP A 21 -16.892 8.994 5.298 1.00 0.00 N ATOM 337 CA ASP A 21 -16.022 9.385 4.183 1.00 0.00 C ATOM 338 C ASP A 21 -16.328 8.572 2.925 1.00 0.00 C ATOM 339 O ASP A 21 -16.800 7.434 3.012 1.00 0.00 O ATOM 340 CB ASP A 21 -14.550 9.213 4.570 1.00 0.00 C ATOM 341 CG ASP A 21 -14.071 10.286 5.529 1.00 0.00 C ATOM 342 OD1 ASP A 21 -14.211 10.093 6.754 1.00 0.00 O ATOM 343 OD2 ASP A 21 -13.557 11.320 5.053 1.00 0.00 O1- ATOM 0 H ASP A 21 -16.471 8.320 5.938 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.216 10.435 3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.410 8.233 5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.936 9.235 3.670 1.00 0.00 H new ATOM 348 N LYS A 22 -16.050 9.171 1.760 1.00 0.00 N ATOM 349 CA LYS A 22 -16.286 8.526 0.462 1.00 0.00 C ATOM 350 C LYS A 22 -15.152 7.573 0.102 1.00 0.00 C ATOM 351 O LYS A 22 -13.996 7.806 0.473 1.00 0.00 O ATOM 352 CB LYS A 22 -16.449 9.580 -0.640 1.00 0.00 C ATOM 353 CG LYS A 22 -17.816 10.258 -0.659 1.00 0.00 C ATOM 354 CD LYS A 22 -18.815 9.490 -1.516 1.00 0.00 C ATOM 355 CE LYS A 22 -20.158 10.199 -1.578 1.00 0.00 C ATOM 356 NZ LYS A 22 -21.162 9.422 -2.355 1.00 0.00 N1+ ATOM 0 H LYS A 22 -15.658 10.110 1.690 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.206 7.948 0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.680 10.342 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.276 9.108 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.196 10.338 0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.713 11.273 -1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.417 9.374 -2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.950 8.488 -1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.529 10.362 -0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -20.029 11.181 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.212 9.792 -3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.882 8.421 -2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -22.094 9.510 -1.903 1.00 0.00 H new ATOM 370 N VAL A 23 -15.495 6.507 -0.641 1.00 0.00 N ATOM 371 CA VAL A 23 -14.521 5.480 -1.064 1.00 0.00 C ATOM 372 C VAL A 23 -13.344 6.098 -1.840 1.00 0.00 C ATOM 373 O VAL A 23 -12.193 5.716 -1.620 1.00 0.00 O ATOM 374 CB VAL A 23 -15.179 4.360 -1.928 1.00 0.00 C ATOM 375 CG1 VAL A 23 -14.250 3.156 -2.068 1.00 0.00 C ATOM 376 CG2 VAL A 23 -16.513 3.911 -1.339 1.00 0.00 C ATOM 0 H VAL A 23 -16.446 6.331 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 23 -14.144 5.029 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.360 4.785 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.735 2.391 -2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.322 3.466 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.029 2.750 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -16.943 3.130 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.354 3.522 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -17.196 4.759 -1.296 1.00 0.00 H new ATOM 386 N GLU A 24 -13.644 7.064 -2.724 1.00 0.00 N ATOM 387 CA GLU A 24 -12.613 7.745 -3.536 1.00 0.00 C ATOM 388 C GLU A 24 -11.558 8.454 -2.665 1.00 0.00 C ATOM 389 O GLU A 24 -10.385 8.547 -3.053 1.00 0.00 O ATOM 390 CB GLU A 24 -13.252 8.740 -4.532 1.00 0.00 C ATOM 391 CG GLU A 24 -14.251 9.726 -3.926 1.00 0.00 C ATOM 392 CD GLU A 24 -14.773 10.725 -4.939 1.00 0.00 C ATOM 393 OE1 GLU A 24 -15.770 10.411 -5.622 1.00 0.00 O1- ATOM 394 OE2 GLU A 24 -14.184 11.821 -5.052 1.00 0.00 O ATOM 0 H GLU A 24 -14.594 7.394 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.099 6.969 -4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.456 9.307 -5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.757 8.172 -5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.089 9.173 -3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.774 10.262 -3.105 1.00 0.00 H new ATOM 401 N ARG A 25 -11.979 8.924 -1.478 1.00 0.00 N ATOM 402 CA ARG A 25 -11.077 9.612 -0.543 1.00 0.00 C ATOM 403 C ARG A 25 -10.142 8.613 0.139 1.00 0.00 C ATOM 404 O ARG A 25 -8.945 8.882 0.311 1.00 0.00 O ATOM 405 CB ARG A 25 -11.875 10.399 0.508 1.00 0.00 C ATOM 406 CG ARG A 25 -12.552 11.657 -0.030 1.00 0.00 C ATOM 407 CD ARG A 25 -11.626 12.866 0.016 1.00 0.00 C ATOM 408 NE ARG A 25 -12.284 14.081 -0.474 1.00 0.00 N ATOM 409 CZ ARG A 25 -11.778 15.320 -0.372 1.00 0.00 C ATOM 410 NH1 ARG A 25 -10.597 15.536 0.206 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 -12.462 16.348 -0.854 1.00 0.00 N ATOM 0 H ARG A 25 -12.939 8.839 -1.145 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.474 10.317 -1.115 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.636 9.745 0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.205 10.680 1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -12.873 11.485 -1.057 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -13.449 11.864 0.554 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.288 13.025 1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.739 12.666 -0.585 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.193 13.977 -0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.061 14.753 0.580 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.229 16.485 0.274 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.367 16.195 -1.299 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.083 17.292 -0.780 1.00 0.00 H new ATOM 425 N ILE A 26 -10.700 7.449 0.505 1.00 0.00 N ATOM 426 CA ILE A 26 -9.933 6.368 1.136 1.00 0.00 C ATOM 427 C ILE A 26 -8.874 5.849 0.143 1.00 0.00 C ATOM 428 O ILE A 26 -7.765 5.487 0.540 1.00 0.00 O ATOM 429 CB ILE A 26 -10.864 5.203 1.609 1.00 0.00 C ATOM 430 CG1 ILE A 26 -11.974 5.743 2.534 1.00 0.00 C ATOM 431 CG2 ILE A 26 -10.063 4.115 2.338 1.00 0.00 C ATOM 432 CD1 ILE A 26 -13.300 5.009 2.429 1.00 0.00 C ATOM 0 H ILE A 26 -11.688 7.233 0.373 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.438 6.764 2.023 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.320 4.760 0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.626 5.691 3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.138 6.796 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.736 3.319 2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.309 3.706 1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.575 4.547 3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.019 5.457 3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.677 5.082 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.157 3.960 2.688 1.00 0.00 H new ATOM 444 N LYS A 27 -9.234 5.868 -1.156 1.00 0.00 N ATOM 445 CA LYS A 27 -8.338 5.431 -2.240 1.00 0.00 C ATOM 446 C LYS A 27 -7.186 6.421 -2.411 1.00 0.00 C ATOM 447 O LYS A 27 -6.058 6.018 -2.704 1.00 0.00 O ATOM 448 CB LYS A 27 -9.096 5.280 -3.565 1.00 0.00 C ATOM 449 CG LYS A 27 -10.312 4.374 -3.475 1.00 0.00 C ATOM 450 CD LYS A 27 -10.752 3.873 -4.840 1.00 0.00 C ATOM 451 CE LYS A 27 -11.652 2.661 -4.704 1.00 0.00 C ATOM 452 NZ LYS A 27 -12.131 2.167 -6.024 1.00 0.00 N1+ ATOM 0 H LYS A 27 -10.148 6.185 -1.479 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.936 4.456 -1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.413 6.266 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.415 4.885 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.083 3.523 -2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.133 4.915 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.280 4.666 -5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.877 3.617 -5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.111 1.864 -4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.509 2.915 -4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.770 1.359 -5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.641 2.929 -6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.318 1.868 -6.599 1.00 0.00 H new ATOM 466 N GLU A 28 -7.488 7.723 -2.231 1.00 0.00 N ATOM 467 CA GLU A 28 -6.469 8.786 -2.306 1.00 0.00 C ATOM 468 C GLU A 28 -5.399 8.553 -1.231 1.00 0.00 C ATOM 469 O GLU A 28 -4.197 8.717 -1.481 1.00 0.00 O ATOM 470 CB GLU A 28 -7.109 10.171 -2.126 1.00 0.00 C ATOM 471 CG GLU A 28 -7.943 10.635 -3.317 1.00 0.00 C ATOM 472 CD GLU A 28 -7.100 11.183 -4.455 1.00 0.00 C ATOM 473 OE1 GLU A 28 -6.828 12.402 -4.461 1.00 0.00 O1- ATOM 474 OE2 GLU A 28 -6.712 10.391 -5.341 1.00 0.00 O ATOM 0 H GLU A 28 -8.429 8.062 -2.033 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.004 8.753 -3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.742 10.154 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.321 10.902 -1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.539 9.799 -3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.641 11.404 -2.987 1.00 0.00 H new ATOM 481 N ARG A 29 -5.866 8.139 -0.034 1.00 0.00 N ATOM 482 CA ARG A 29 -4.986 7.814 1.099 1.00 0.00 C ATOM 483 C ARG A 29 -4.124 6.590 0.750 1.00 0.00 C ATOM 484 O ARG A 29 -2.948 6.506 1.128 1.00 0.00 O ATOM 485 CB ARG A 29 -5.834 7.531 2.352 1.00 0.00 C ATOM 486 CG ARG A 29 -5.095 7.731 3.677 1.00 0.00 C ATOM 487 CD ARG A 29 -5.265 9.144 4.231 1.00 0.00 C ATOM 488 NE ARG A 29 -4.555 10.154 3.434 1.00 0.00 N ATOM 489 CZ ARG A 29 -4.576 11.472 3.683 1.00 0.00 C ATOM 490 NH1 ARG A 29 -5.267 11.970 4.706 1.00 0.00 N1+ ATOM 491 NH2 ARG A 29 -3.896 12.298 2.899 1.00 0.00 N ATOM 0 H ARG A 29 -6.859 8.022 0.169 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.330 8.660 1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.709 8.180 2.337 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.198 6.505 2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.463 7.011 4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.034 7.525 3.533 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.326 9.392 4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.899 9.174 5.257 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.008 9.830 2.636 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.793 11.346 5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.270 12.975 4.878 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.361 11.930 2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.908 13.301 3.083 1.00 0.00 H new ATOM 505 N VAL A 30 -4.732 5.651 0.003 1.00 0.00 N ATOM 506 CA VAL A 30 -4.052 4.429 -0.448 1.00 0.00 C ATOM 507 C VAL A 30 -2.981 4.782 -1.499 1.00 0.00 C ATOM 508 O VAL A 30 -1.841 4.321 -1.402 1.00 0.00 O ATOM 509 CB VAL A 30 -5.064 3.385 -1.030 1.00 0.00 C ATOM 510 CG1 VAL A 30 -4.377 2.082 -1.425 1.00 0.00 C ATOM 511 CG2 VAL A 30 -6.178 3.081 -0.033 1.00 0.00 C ATOM 0 H VAL A 30 -5.703 5.719 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.572 3.972 0.417 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.492 3.837 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.116 1.387 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.622 2.284 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.901 1.642 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.865 2.353 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.747 2.674 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.720 3.998 0.198 1.00 0.00 H new ATOM 521 N GLU A 31 -3.358 5.640 -2.472 1.00 0.00 N ATOM 522 CA GLU A 31 -2.458 6.089 -3.553 1.00 0.00 C ATOM 523 C GLU A 31 -1.142 6.660 -2.995 1.00 0.00 C ATOM 524 O GLU A 31 -0.059 6.311 -3.472 1.00 0.00 O ATOM 525 CB GLU A 31 -3.174 7.149 -4.419 1.00 0.00 C ATOM 526 CG GLU A 31 -2.384 7.608 -5.646 1.00 0.00 C ATOM 527 CD GLU A 31 -2.931 8.884 -6.263 1.00 0.00 C ATOM 528 OE1 GLU A 31 -2.932 9.927 -5.575 1.00 0.00 O ATOM 529 OE2 GLU A 31 -3.346 8.841 -7.440 1.00 0.00 O1- ATOM 0 H GLU A 31 -4.295 6.040 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.207 5.224 -4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.130 6.743 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.394 8.018 -3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.343 7.765 -5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.394 6.816 -6.395 1.00 0.00 H new ATOM 536 N GLU A 32 -1.256 7.525 -1.982 1.00 0.00 N ATOM 537 CA GLU A 32 -0.085 8.151 -1.346 1.00 0.00 C ATOM 538 C GLU A 32 0.728 7.151 -0.504 1.00 0.00 C ATOM 539 O GLU A 32 1.936 7.335 -0.320 1.00 0.00 O ATOM 540 CB GLU A 32 -0.493 9.377 -0.499 1.00 0.00 C ATOM 541 CG GLU A 32 -1.661 9.153 0.459 1.00 0.00 C ATOM 542 CD GLU A 32 -2.080 10.423 1.172 1.00 0.00 C ATOM 543 OE1 GLU A 32 -2.841 11.213 0.575 1.00 0.00 O ATOM 544 OE2 GLU A 32 -1.648 10.627 2.326 1.00 0.00 O1- ATOM 0 H GLU A 32 -2.150 7.810 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 32 0.562 8.493 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.372 9.702 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.750 10.194 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.510 8.755 -0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.382 8.401 1.197 1.00 0.00 H new ATOM 551 N LYS A 33 0.061 6.098 0.001 1.00 0.00 N ATOM 552 CA LYS A 33 0.718 5.081 0.835 1.00 0.00 C ATOM 553 C LYS A 33 1.563 4.087 0.018 1.00 0.00 C ATOM 554 O LYS A 33 2.738 3.872 0.332 1.00 0.00 O ATOM 555 CB LYS A 33 -0.326 4.311 1.642 1.00 0.00 C ATOM 556 CG LYS A 33 -0.103 4.349 3.143 1.00 0.00 C ATOM 557 CD LYS A 33 -0.699 3.119 3.803 1.00 0.00 C ATOM 558 CE LYS A 33 -0.671 3.220 5.317 1.00 0.00 C ATOM 559 NZ LYS A 33 -1.764 4.092 5.837 1.00 0.00 N1+ ATOM 0 H LYS A 33 -0.933 5.931 -0.155 1.00 0.00 H new ATOM 0 HA LYS A 33 1.396 5.616 1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.313 4.719 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.330 3.272 1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.965 4.401 3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.556 5.248 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.728 2.989 3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.146 2.234 3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.765 2.224 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.293 3.616 5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.352 4.880 6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.316 4.469 5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.386 3.536 6.458 1.00 0.00 H new ATOM 573 N GLU A 34 0.962 3.487 -1.024 1.00 0.00 N ATOM 574 CA GLU A 34 1.657 2.496 -1.857 1.00 0.00 C ATOM 575 C GLU A 34 2.216 3.105 -3.147 1.00 0.00 C ATOM 576 O GLU A 34 3.258 2.659 -3.637 1.00 0.00 O ATOM 577 CB GLU A 34 0.713 1.334 -2.186 1.00 0.00 C ATOM 578 CG GLU A 34 1.382 -0.036 -2.145 1.00 0.00 C ATOM 579 CD GLU A 34 0.380 -1.174 -2.197 1.00 0.00 C ATOM 580 OE1 GLU A 34 -0.123 -1.570 -1.124 1.00 0.00 O1- ATOM 581 OE2 GLU A 34 0.101 -1.669 -3.308 1.00 0.00 O ATOM 0 H GLU A 34 -0.000 3.672 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 34 2.507 2.128 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.118 1.343 -1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.291 1.492 -3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.072 -0.125 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.975 -0.120 -1.234 1.00 0.00 H new ATOM 588 N GLY A 35 1.524 4.113 -3.693 1.00 0.00 N ATOM 589 CA GLY A 35 1.976 4.761 -4.920 1.00 0.00 C ATOM 590 C GLY A 35 1.273 4.246 -6.164 1.00 0.00 C ATOM 591 O GLY A 35 1.910 4.069 -7.207 1.00 0.00 O ATOM 0 H GLY A 35 0.659 4.491 -3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.813 5.835 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.050 4.609 -5.029 1.00 0.00 H new ATOM 595 N ILE A 36 -0.040 4.006 -6.053 1.00 0.00 N ATOM 596 CA ILE A 36 -0.842 3.512 -7.179 1.00 0.00 C ATOM 597 C ILE A 36 -2.106 4.381 -7.338 1.00 0.00 C ATOM 598 O ILE A 36 -2.774 4.669 -6.342 1.00 0.00 O ATOM 599 CB ILE A 36 -1.248 2.010 -7.007 1.00 0.00 C ATOM 600 CG1 ILE A 36 -0.017 1.145 -6.676 1.00 0.00 C ATOM 601 CG2 ILE A 36 -1.939 1.474 -8.270 1.00 0.00 C ATOM 602 CD1 ILE A 36 -0.346 -0.139 -5.940 1.00 0.00 C ATOM 0 H ILE A 36 -0.570 4.146 -5.193 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.225 3.581 -8.075 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.952 1.953 -6.177 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.501 0.898 -7.603 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.675 1.732 -6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.209 0.429 -8.121 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.839 2.057 -8.468 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.260 1.556 -9.119 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.573 -0.692 -5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.836 0.098 -4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.012 -0.748 -6.551 1.00 0.00 H new ATOM 614 N PRO A 37 -2.463 4.808 -8.594 1.00 0.00 N ATOM 615 CA PRO A 37 -3.659 5.648 -8.857 1.00 0.00 C ATOM 616 C PRO A 37 -4.983 5.010 -8.374 1.00 0.00 C ATOM 617 O PRO A 37 -5.115 3.784 -8.420 1.00 0.00 O ATOM 618 CB PRO A 37 -3.676 5.784 -10.390 1.00 0.00 C ATOM 619 CG PRO A 37 -2.803 4.685 -10.887 1.00 0.00 C ATOM 620 CD PRO A 37 -1.734 4.531 -9.856 1.00 0.00 C ATOM 0 HA PRO A 37 -3.594 6.593 -8.319 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.689 5.691 -10.783 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.300 6.758 -10.703 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.367 3.760 -11.010 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.378 4.930 -11.860 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.303 3.530 -9.864 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.914 5.232 -10.013 1.00 0.00 H new ATOM 628 N PRO A 38 -5.988 5.823 -7.900 1.00 0.00 N ATOM 629 CA PRO A 38 -7.292 5.297 -7.431 1.00 0.00 C ATOM 630 C PRO A 38 -8.094 4.590 -8.532 1.00 0.00 C ATOM 631 O PRO A 38 -8.791 3.608 -8.261 1.00 0.00 O ATOM 632 CB PRO A 38 -8.053 6.548 -6.962 1.00 0.00 C ATOM 633 CG PRO A 38 -7.012 7.588 -6.753 1.00 0.00 C ATOM 634 CD PRO A 38 -5.933 7.300 -7.754 1.00 0.00 C ATOM 0 HA PRO A 38 -7.146 4.544 -6.656 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.782 6.866 -7.707 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.602 6.351 -6.041 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.423 8.587 -6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.621 7.550 -5.736 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.118 7.805 -8.702 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.957 7.633 -7.401 1.00 0.00 H new ATOM 642 N GLN A 39 -7.970 5.086 -9.776 1.00 0.00 N ATOM 643 CA GLN A 39 -8.686 4.526 -10.941 1.00 0.00 C ATOM 644 C GLN A 39 -8.356 3.045 -11.177 1.00 0.00 C ATOM 645 O GLN A 39 -9.182 2.299 -11.712 1.00 0.00 O ATOM 646 CB GLN A 39 -8.360 5.332 -12.204 1.00 0.00 C ATOM 647 CG GLN A 39 -8.997 6.714 -12.233 1.00 0.00 C ATOM 648 CD GLN A 39 -8.669 7.479 -13.501 1.00 0.00 C ATOM 649 OE1 GLN A 39 -9.391 7.394 -14.495 1.00 0.00 O ATOM 650 NE2 GLN A 39 -7.575 8.231 -13.474 1.00 0.00 N ATOM 0 H GLN A 39 -7.374 5.882 -10.004 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.751 4.596 -10.720 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.278 5.439 -12.286 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.692 4.771 -13.077 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.079 6.614 -12.143 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.657 7.285 -11.370 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.005 8.272 -12.629 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.304 8.767 -14.298 1.00 0.00 H new ATOM 659 N GLN A 40 -7.147 2.636 -10.775 1.00 0.00 N ATOM 660 CA GLN A 40 -6.699 1.249 -10.927 1.00 0.00 C ATOM 661 C GLN A 40 -6.901 0.449 -9.634 1.00 0.00 C ATOM 662 O GLN A 40 -6.702 -0.771 -9.620 1.00 0.00 O ATOM 663 CB GLN A 40 -5.220 1.202 -11.335 1.00 0.00 C ATOM 664 CG GLN A 40 -4.954 1.663 -12.760 1.00 0.00 C ATOM 665 CD GLN A 40 -3.555 1.311 -13.229 1.00 0.00 C ATOM 666 OE1 GLN A 40 -3.334 0.254 -13.819 1.00 0.00 O ATOM 667 NE2 GLN A 40 -2.601 2.193 -12.959 1.00 0.00 N ATOM 0 H GLN A 40 -6.459 3.251 -10.340 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.305 0.795 -11.711 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.645 1.825 -10.650 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.855 0.181 -11.221 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -5.684 1.207 -13.429 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.095 2.742 -12.822 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.830 3.057 -12.467 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.639 2.007 -13.243 1.00 0.00 H new ATOM 676 N GLN A 41 -7.307 1.138 -8.557 1.00 0.00 N ATOM 677 CA GLN A 41 -7.524 0.495 -7.256 1.00 0.00 C ATOM 678 C GLN A 41 -9.004 0.478 -6.892 1.00 0.00 C ATOM 679 O GLN A 41 -9.719 1.453 -7.135 1.00 0.00 O ATOM 680 CB GLN A 41 -6.750 1.220 -6.149 1.00 0.00 C ATOM 681 CG GLN A 41 -5.236 1.138 -6.277 1.00 0.00 C ATOM 682 CD GLN A 41 -4.530 1.577 -5.009 1.00 0.00 C ATOM 683 OE1 GLN A 41 -4.172 0.753 -4.168 1.00 0.00 O ATOM 684 NE2 GLN A 41 -4.338 2.884 -4.858 1.00 0.00 N ATOM 0 H GLN A 41 -7.491 2.141 -8.563 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.162 -0.530 -7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.045 2.269 -6.145 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.043 0.803 -5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.948 0.114 -6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.909 1.763 -7.108 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.651 3.532 -5.581 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.878 3.238 -4.020 1.00 0.00 H new ATOM 693 N ARG A 42 -9.453 -0.641 -6.313 1.00 0.00 N ATOM 694 CA ARG A 42 -10.845 -0.795 -5.888 1.00 0.00 C ATOM 695 C ARG A 42 -10.929 -1.468 -4.522 1.00 0.00 C ATOM 696 O ARG A 42 -10.253 -2.467 -4.273 1.00 0.00 O ATOM 697 CB ARG A 42 -11.643 -1.605 -6.911 1.00 0.00 C ATOM 698 CG ARG A 42 -12.110 -0.790 -8.104 1.00 0.00 C ATOM 699 CD ARG A 42 -13.193 -1.520 -8.877 1.00 0.00 C ATOM 700 NE ARG A 42 -13.637 -0.763 -10.053 1.00 0.00 N ATOM 701 CZ ARG A 42 -14.479 -1.228 -10.987 1.00 0.00 C ATOM 702 NH1 ARG A 42 -14.988 -2.456 -10.906 1.00 0.00 N1+ ATOM 703 NH2 ARG A 42 -14.813 -0.454 -12.010 1.00 0.00 N ATOM 0 H ARG A 42 -8.868 -1.456 -6.128 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.277 0.203 -5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.028 -2.432 -7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.512 -2.042 -6.418 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.489 0.174 -7.764 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.265 -0.586 -8.762 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.819 -2.494 -9.193 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.045 -1.703 -8.222 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.279 0.185 -10.168 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.739 -3.061 -10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.627 -2.792 -11.627 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.430 0.489 -12.083 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.453 -0.801 -12.724 1.00 0.00 H new ATOM 717 N LEU A 43 -11.779 -0.911 -3.652 1.00 0.00 N ATOM 718 CA LEU A 43 -11.983 -1.433 -2.294 1.00 0.00 C ATOM 719 C LEU A 43 -13.146 -2.429 -2.299 1.00 0.00 C ATOM 720 O LEU A 43 -14.298 -2.071 -2.584 1.00 0.00 O ATOM 721 CB LEU A 43 -12.236 -0.261 -1.331 1.00 0.00 C ATOM 722 CG LEU A 43 -11.961 -0.517 0.159 1.00 0.00 C ATOM 723 CD1 LEU A 43 -10.463 -0.545 0.454 1.00 0.00 C ATOM 724 CD2 LEU A 43 -12.640 0.553 0.996 1.00 0.00 C ATOM 0 H LEU A 43 -12.343 -0.089 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.093 -1.962 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.621 0.580 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.276 0.047 -1.436 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.368 -1.495 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.305 -0.728 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.993 -1.340 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.020 0.413 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.443 0.368 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.250 1.533 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.715 0.527 0.818 1.00 0.00 H new ATOM 736 N ILE A 44 -12.841 -3.694 -2.007 1.00 0.00 N ATOM 737 CA ILE A 44 -13.857 -4.727 -2.058 1.00 0.00 C ATOM 738 C ILE A 44 -13.935 -5.646 -0.841 1.00 0.00 C ATOM 739 O ILE A 44 -12.941 -5.903 -0.176 1.00 0.00 O ATOM 740 CB ILE A 44 -13.645 -5.527 -3.360 1.00 0.00 C ATOM 741 CG1 ILE A 44 -14.355 -4.751 -4.490 1.00 0.00 C ATOM 742 CG2 ILE A 44 -14.102 -6.981 -3.244 1.00 0.00 C ATOM 743 CD1 ILE A 44 -14.611 -5.513 -5.758 1.00 0.00 C ATOM 0 H ILE A 44 -11.912 -4.017 -1.738 1.00 0.00 H new ATOM 0 HA ILE A 44 -14.825 -4.226 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 44 -12.581 -5.610 -3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.310 -4.389 -4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.755 -3.874 -4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -13.928 -7.494 -4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -13.539 -7.477 -2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -15.165 -7.010 -3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -15.114 -4.865 -6.476 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.663 -5.852 -6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.242 -6.375 -5.543 1.00 0.00 H new ATOM 755 N TYR A 45 -15.165 -6.139 -0.580 1.00 0.00 N ATOM 756 CA TYR A 45 -15.413 -7.080 0.516 1.00 0.00 C ATOM 757 C TYR A 45 -15.834 -8.426 -0.068 1.00 0.00 C ATOM 758 O TYR A 45 -16.726 -8.476 -0.919 1.00 0.00 O ATOM 759 CB TYR A 45 -16.504 -6.547 1.463 1.00 0.00 C ATOM 760 CG TYR A 45 -16.399 -7.035 2.905 1.00 0.00 C ATOM 761 CD1 TYR A 45 -16.558 -8.381 3.229 1.00 0.00 C ATOM 762 CD2 TYR A 45 -16.156 -6.141 3.946 1.00 0.00 C ATOM 763 CE1 TYR A 45 -16.474 -8.816 4.539 1.00 0.00 C ATOM 764 CE2 TYR A 45 -16.070 -6.571 5.257 1.00 0.00 C ATOM 765 CZ TYR A 45 -16.230 -7.909 5.548 1.00 0.00 C ATOM 766 OH TYR A 45 -16.145 -8.342 6.852 1.00 0.00 O ATOM 0 H TYR A 45 -15.997 -5.896 -1.118 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.497 -7.200 1.095 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.466 -5.458 1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.479 -6.833 1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.750 -9.097 2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.032 -5.091 3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -16.599 -9.863 4.771 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -15.878 -5.862 6.049 1.00 0.00 H new ATOM 0 HH TYR A 45 -15.968 -7.578 7.440 1.00 0.00 H new ATOM 776 N SER A 46 -15.172 -9.519 0.381 1.00 0.00 N ATOM 777 CA SER A 46 -15.447 -10.910 -0.083 1.00 0.00 C ATOM 778 C SER A 46 -14.879 -11.178 -1.484 1.00 0.00 C ATOM 779 O SER A 46 -14.184 -12.176 -1.703 1.00 0.00 O ATOM 780 CB SER A 46 -16.956 -11.227 -0.086 1.00 0.00 C ATOM 781 OG SER A 46 -17.524 -11.037 1.199 1.00 0.00 O ATOM 0 H SER A 46 -14.429 -9.466 1.078 1.00 0.00 H new ATOM 0 HA SER A 46 -14.945 -11.563 0.631 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.463 -10.587 -0.808 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.113 -12.257 -0.407 1.00 0.00 H new ATOM 0 HG SER A 46 -18.481 -11.243 1.167 1.00 0.00 H new ATOM 787 N GLY A 47 -15.187 -10.272 -2.411 1.00 0.00 N ATOM 788 CA GLY A 47 -14.754 -10.384 -3.799 1.00 0.00 C ATOM 789 C GLY A 47 -15.532 -9.429 -4.687 1.00 0.00 C ATOM 790 O GLY A 47 -15.306 -9.354 -5.898 1.00 0.00 O ATOM 0 H GLY A 47 -15.744 -9.440 -2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.688 -10.167 -3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.895 -11.407 -4.147 1.00 0.00 H new ATOM 794 N LYS A 48 -16.458 -8.702 -4.045 1.00 0.00 N ATOM 795 CA LYS A 48 -17.313 -7.710 -4.694 1.00 0.00 C ATOM 796 C LYS A 48 -17.529 -6.526 -3.769 1.00 0.00 C ATOM 797 O LYS A 48 -17.732 -6.750 -2.568 1.00 0.00 O ATOM 798 CB LYS A 48 -18.680 -8.301 -4.958 1.00 0.00 C ATOM 799 CG LYS A 48 -18.719 -9.355 -6.057 1.00 0.00 C ATOM 800 CD LYS A 48 -20.125 -9.904 -6.256 1.00 0.00 C ATOM 801 CE LYS A 48 -20.167 -10.971 -7.340 1.00 0.00 C ATOM 802 NZ LYS A 48 -19.555 -12.256 -6.891 1.00 0.00 N1+ ATOM 0 H LYS A 48 -16.633 -8.792 -3.044 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.827 -7.405 -5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -19.053 -8.745 -4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -19.364 -7.495 -5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.361 -8.921 -6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.042 -10.171 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.487 -10.325 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -20.799 -9.090 -6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -21.202 -11.147 -7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.641 -10.609 -8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -19.621 -12.958 -7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.555 -12.099 -6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.061 -12.608 -6.053 1.00 0.00 H new ATOM 816 N GLN A 49 -17.497 -5.264 -4.274 1.00 0.00 N ATOM 817 CA GLN A 49 -17.775 -4.132 -3.373 1.00 0.00 C ATOM 818 C GLN A 49 -17.807 -2.711 -3.959 1.00 0.00 C ATOM 819 O GLN A 49 -18.339 -2.442 -5.038 1.00 0.00 O ATOM 820 CB GLN A 49 -16.856 -4.141 -2.159 1.00 0.00 C ATOM 821 CG GLN A 49 -17.600 -4.090 -0.838 1.00 0.00 C ATOM 822 CD GLN A 49 -16.818 -3.401 0.270 1.00 0.00 C ATOM 823 OE1 GLN A 49 -15.585 -3.448 0.317 1.00 0.00 O ATOM 824 NE2 GLN A 49 -17.538 -2.758 1.178 1.00 0.00 N ATOM 0 H GLN A 49 -17.293 -5.020 -5.243 1.00 0.00 H new ATOM 0 HA GLN A 49 -18.813 -4.334 -3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.240 -5.040 -2.186 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.179 -3.289 -2.219 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.546 -3.569 -0.983 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.840 -5.106 -0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.555 -2.742 1.104 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.075 -2.279 1.950 1.00 0.00 H new ATOM 833 N MET A 50 -17.193 -1.834 -3.154 1.00 0.00 N ATOM 834 CA MET A 50 -17.131 -0.377 -3.278 1.00 0.00 C ATOM 835 C MET A 50 -17.065 0.243 -4.668 1.00 0.00 C ATOM 836 O MET A 50 -16.489 -0.303 -5.613 1.00 0.00 O ATOM 837 CB MET A 50 -15.957 0.108 -2.444 1.00 0.00 C ATOM 838 CG MET A 50 -16.092 -0.288 -0.986 1.00 0.00 C ATOM 839 SD MET A 50 -17.567 0.446 -0.270 1.00 0.00 S ATOM 840 CE MET A 50 -17.152 0.376 1.450 1.00 0.00 C ATOM 0 H MET A 50 -16.685 -2.156 -2.330 1.00 0.00 H new ATOM 0 HA MET A 50 -18.105 -0.038 -2.927 1.00 0.00 H new ATOM 0 HB2 MET A 50 -15.032 -0.304 -2.847 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.883 1.193 -2.519 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.141 -1.374 -0.901 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.211 0.036 -0.432 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.038 0.113 2.028 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.380 -0.377 1.608 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.782 1.349 1.775 1.00 0.00 H new ATOM 850 N ASN A 51 -17.697 1.419 -4.723 1.00 0.00 N ATOM 851 CA ASN A 51 -17.754 2.283 -5.893 1.00 0.00 C ATOM 852 C ASN A 51 -17.467 3.715 -5.435 1.00 0.00 C ATOM 853 O ASN A 51 -17.747 4.061 -4.280 1.00 0.00 O ATOM 854 CB ASN A 51 -19.129 2.205 -6.566 1.00 0.00 C ATOM 855 CG ASN A 51 -19.352 0.888 -7.286 1.00 0.00 C ATOM 856 OD1 ASN A 51 -19.849 -0.075 -6.704 1.00 0.00 O ATOM 857 ND2 ASN A 51 -18.985 0.842 -8.561 1.00 0.00 N ATOM 0 H ASN A 51 -18.199 1.804 -3.923 1.00 0.00 H new ATOM 0 HA ASN A 51 -17.014 1.962 -6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -19.906 2.340 -5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -19.228 3.025 -7.277 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -19.111 -0.016 -9.097 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.577 1.665 -9.004 1.00 0.00 H new ATOM 864 N ASP A 52 -16.931 4.555 -6.330 1.00 0.00 N ATOM 865 CA ASP A 52 -16.587 5.955 -5.989 1.00 0.00 C ATOM 866 C ASP A 52 -17.818 6.815 -5.641 1.00 0.00 C ATOM 867 O ASP A 52 -17.671 7.950 -5.173 1.00 0.00 O ATOM 868 CB ASP A 52 -15.807 6.606 -7.136 1.00 0.00 C ATOM 869 CG ASP A 52 -14.434 5.989 -7.336 1.00 0.00 C ATOM 870 OD1 ASP A 52 -13.468 6.474 -6.709 1.00 0.00 O ATOM 871 OD2 ASP A 52 -14.325 5.022 -8.119 1.00 0.00 O1- ATOM 0 H ASP A 52 -16.724 4.297 -7.295 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.967 5.910 -5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.380 6.513 -8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.696 7.672 -6.936 1.00 0.00 H new ATOM 876 N GLU A 53 -19.018 6.268 -5.864 1.00 0.00 N ATOM 877 CA GLU A 53 -20.268 6.973 -5.565 1.00 0.00 C ATOM 878 C GLU A 53 -20.862 6.519 -4.225 1.00 0.00 C ATOM 879 O GLU A 53 -21.826 7.119 -3.736 1.00 0.00 O ATOM 880 CB GLU A 53 -21.286 6.754 -6.691 1.00 0.00 C ATOM 881 CG GLU A 53 -20.966 7.517 -7.969 1.00 0.00 C ATOM 882 CD GLU A 53 -21.975 7.260 -9.071 1.00 0.00 C ATOM 883 OE1 GLU A 53 -21.782 6.294 -9.839 1.00 0.00 O ATOM 884 OE2 GLU A 53 -22.959 8.024 -9.166 1.00 0.00 O1- ATOM 0 H GLU A 53 -19.149 5.334 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.039 8.036 -5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.338 5.689 -6.919 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.273 7.053 -6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.935 8.585 -7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.973 7.234 -8.318 1.00 0.00 H new ATOM 891 N LYS A 54 -20.280 5.463 -3.637 1.00 0.00 N ATOM 892 CA LYS A 54 -20.747 4.923 -2.355 1.00 0.00 C ATOM 893 C LYS A 54 -19.812 5.332 -1.208 1.00 0.00 C ATOM 894 O LYS A 54 -18.756 5.932 -1.441 1.00 0.00 O ATOM 895 CB LYS A 54 -20.853 3.390 -2.436 1.00 0.00 C ATOM 896 CG LYS A 54 -21.939 2.894 -3.381 1.00 0.00 C ATOM 897 CD LYS A 54 -22.180 1.401 -3.218 1.00 0.00 C ATOM 898 CE LYS A 54 -23.231 0.896 -4.193 1.00 0.00 C ATOM 899 NZ LYS A 54 -23.479 -0.563 -4.037 1.00 0.00 N1+ ATOM 0 H LYS A 54 -19.482 4.966 -4.032 1.00 0.00 H new ATOM 0 HA LYS A 54 -21.733 5.339 -2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -19.893 2.986 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -21.046 2.996 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -22.865 3.436 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -21.652 3.107 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -21.246 0.861 -3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -22.499 1.192 -2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -24.162 1.441 -4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -22.908 1.102 -5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -23.612 -0.995 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -22.665 -1.005 -3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -24.334 -0.710 -3.463 1.00 0.00 H new ATOM 913 N THR A 55 -20.219 5.014 0.031 1.00 0.00 N ATOM 914 CA THR A 55 -19.429 5.331 1.223 1.00 0.00 C ATOM 915 C THR A 55 -19.261 4.085 2.101 1.00 0.00 C ATOM 916 O THR A 55 -19.992 3.100 1.939 1.00 0.00 O ATOM 917 CB THR A 55 -20.071 6.462 2.071 1.00 0.00 C ATOM 918 OG1 THR A 55 -21.365 6.064 2.546 1.00 0.00 O ATOM 919 CG2 THR A 55 -20.206 7.763 1.286 1.00 0.00 C ATOM 0 H THR A 55 -21.097 4.534 0.230 1.00 0.00 H new ATOM 0 HA THR A 55 -18.457 5.677 0.872 1.00 0.00 H new ATOM 0 HB THR A 55 -19.404 6.639 2.915 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.769 5.438 1.909 1.00 0.00 H new ATOM 0 HG21 THR A 55 -20.660 8.525 1.920 1.00 0.00 H new ATOM 0 HG22 THR A 55 -19.220 8.098 0.965 1.00 0.00 H new ATOM 0 HG23 THR A 55 -20.835 7.597 0.411 1.00 0.00 H new ATOM 927 N ALA A 56 -18.311 4.147 3.047 1.00 0.00 N ATOM 928 CA ALA A 56 -18.023 3.032 3.968 1.00 0.00 C ATOM 929 C ALA A 56 -19.243 2.632 4.813 1.00 0.00 C ATOM 930 O ALA A 56 -19.455 1.443 5.092 1.00 0.00 O ATOM 931 CB ALA A 56 -16.859 3.406 4.868 1.00 0.00 C ATOM 0 H ALA A 56 -17.722 4.967 3.196 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.763 2.164 3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.646 2.582 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.979 3.610 4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -17.115 4.295 5.444 1.00 0.00 H new ATOM 937 N ALA A 57 -20.046 3.636 5.202 1.00 0.00 N ATOM 938 CA ALA A 57 -21.259 3.418 6.004 1.00 0.00 C ATOM 939 C ALA A 57 -22.312 2.604 5.242 1.00 0.00 C ATOM 940 O ALA A 57 -23.103 1.879 5.853 1.00 0.00 O ATOM 941 CB ALA A 57 -21.843 4.752 6.442 1.00 0.00 C ATOM 0 H ALA A 57 -19.874 4.614 4.971 1.00 0.00 H new ATOM 0 HA ALA A 57 -20.973 2.841 6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.741 4.579 7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -21.110 5.291 7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -22.098 5.344 5.563 1.00 0.00 H new ATOM 947 N ASP A 58 -22.291 2.708 3.897 1.00 0.00 N ATOM 948 CA ASP A 58 -23.236 1.986 3.031 1.00 0.00 C ATOM 949 C ASP A 58 -23.049 0.467 3.121 1.00 0.00 C ATOM 950 O ASP A 58 -23.952 -0.297 2.768 1.00 0.00 O ATOM 951 CB ASP A 58 -23.072 2.442 1.581 1.00 0.00 C ATOM 952 CG ASP A 58 -23.779 3.753 1.299 1.00 0.00 C ATOM 953 OD1 ASP A 58 -25.026 3.784 1.378 1.00 0.00 O ATOM 954 OD2 ASP A 58 -23.089 4.747 0.994 1.00 0.00 O1- ATOM 0 H ASP A 58 -21.625 3.289 3.388 1.00 0.00 H new ATOM 0 HA ASP A 58 -24.242 2.219 3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.011 2.550 1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.463 1.672 0.915 1.00 0.00 H new ATOM 959 N TYR A 59 -21.869 0.047 3.594 1.00 0.00 N ATOM 960 CA TYR A 59 -21.551 -1.370 3.752 1.00 0.00 C ATOM 961 C TYR A 59 -21.387 -1.725 5.239 1.00 0.00 C ATOM 962 O TYR A 59 -20.825 -2.773 5.582 1.00 0.00 O ATOM 963 CB TYR A 59 -20.286 -1.715 2.952 1.00 0.00 C ATOM 964 CG TYR A 59 -20.495 -1.716 1.450 1.00 0.00 C ATOM 965 CD1 TYR A 59 -20.439 -0.535 0.716 1.00 0.00 C ATOM 966 CD2 TYR A 59 -20.747 -2.899 0.767 1.00 0.00 C ATOM 967 CE1 TYR A 59 -20.628 -0.535 -0.654 1.00 0.00 C ATOM 968 CE2 TYR A 59 -20.938 -2.907 -0.603 1.00 0.00 C ATOM 969 CZ TYR A 59 -20.875 -1.724 -1.308 1.00 0.00 C ATOM 970 OH TYR A 59 -21.065 -1.729 -2.670 1.00 0.00 O ATOM 0 H TYR A 59 -21.117 0.676 3.874 1.00 0.00 H new ATOM 0 HA TYR A 59 -22.376 -1.966 3.361 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -19.503 -0.998 3.200 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -19.928 -2.697 3.261 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -20.245 0.398 1.225 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -20.795 -3.828 1.315 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -20.582 0.391 -1.209 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.136 -3.836 -1.118 1.00 0.00 H new ATOM 0 HH TYR A 59 -21.227 -2.646 -2.974 1.00 0.00 H new ATOM 980 N LYS A 60 -21.915 -0.836 6.121 1.00 0.00 N ATOM 981 CA LYS A 60 -21.880 -0.987 7.604 1.00 0.00 C ATOM 982 C LYS A 60 -20.506 -1.442 8.154 1.00 0.00 C ATOM 983 O LYS A 60 -20.431 -2.197 9.133 1.00 0.00 O ATOM 984 CB LYS A 60 -23.034 -1.905 8.122 1.00 0.00 C ATOM 985 CG LYS A 60 -23.205 -3.261 7.417 1.00 0.00 C ATOM 986 CD LYS A 60 -22.232 -4.312 7.938 1.00 0.00 C ATOM 987 CE LYS A 60 -22.427 -5.647 7.238 1.00 0.00 C ATOM 988 NZ LYS A 60 -21.482 -6.682 7.741 1.00 0.00 N1+ ATOM 0 H LYS A 60 -22.384 0.018 5.820 1.00 0.00 H new ATOM 0 HA LYS A 60 -22.041 0.016 8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -22.871 -2.091 9.183 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -23.971 -1.355 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -24.227 -3.614 7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -23.056 -3.132 6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -21.209 -3.968 7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -22.372 -4.439 9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -23.452 -5.988 7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -22.286 -5.518 6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -21.648 -7.577 7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -20.504 -6.368 7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -21.633 -6.824 8.760 1.00 0.00 H new ATOM 1002 N ILE A 61 -19.424 -0.945 7.536 1.00 0.00 N ATOM 1003 CA ILE A 61 -18.058 -1.293 7.955 1.00 0.00 C ATOM 1004 C ILE A 61 -17.608 -0.404 9.121 1.00 0.00 C ATOM 1005 O ILE A 61 -17.890 0.798 9.143 1.00 0.00 O ATOM 1006 CB ILE A 61 -17.061 -1.180 6.767 1.00 0.00 C ATOM 1007 CG1 ILE A 61 -17.584 -1.993 5.570 1.00 0.00 C ATOM 1008 CG2 ILE A 61 -15.664 -1.671 7.168 1.00 0.00 C ATOM 1009 CD1 ILE A 61 -17.039 -1.555 4.229 1.00 0.00 C ATOM 0 H ILE A 61 -19.468 -0.302 6.746 1.00 0.00 H new ATOM 0 HA ILE A 61 -18.065 -2.330 8.292 1.00 0.00 H new ATOM 0 HB ILE A 61 -16.981 -0.130 6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -17.335 -3.043 5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.671 -1.923 5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.988 -1.580 6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -15.290 -1.067 7.995 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -15.720 -2.715 7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.460 -2.182 3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.310 -0.515 4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.953 -1.652 4.228 1.00 0.00 H new ATOM 1021 N LEU A 62 -16.910 -1.021 10.082 1.00 0.00 N ATOM 1022 CA LEU A 62 -16.426 -0.317 11.275 1.00 0.00 C ATOM 1023 C LEU A 62 -14.982 -0.704 11.616 1.00 0.00 C ATOM 1024 O LEU A 62 -14.425 -1.657 11.045 1.00 0.00 O ATOM 1025 CB LEU A 62 -17.349 -0.613 12.474 1.00 0.00 C ATOM 1026 CG LEU A 62 -18.768 -0.036 12.378 1.00 0.00 C ATOM 1027 CD1 LEU A 62 -19.743 -0.895 13.168 1.00 0.00 C ATOM 1028 CD2 LEU A 62 -18.804 1.402 12.883 1.00 0.00 C ATOM 0 H LEU A 62 -16.667 -2.011 10.056 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.441 0.751 11.059 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.423 -1.694 12.594 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.878 -0.224 13.377 1.00 0.00 H new ATOM 0 HG LEU A 62 -19.066 -0.039 11.330 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -20.745 -0.473 13.090 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -19.744 -1.908 12.766 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -19.440 -0.920 14.215 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -19.820 1.790 12.805 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.484 1.430 13.924 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -18.134 2.016 12.281 1.00 0.00 H new ATOM 1040 N GLY A 63 -14.388 0.047 12.568 1.00 0.00 N ATOM 1041 CA GLY A 63 -13.014 -0.194 13.011 1.00 0.00 C ATOM 1042 C GLY A 63 -12.799 -1.603 13.535 1.00 0.00 C ATOM 1043 O GLY A 63 -13.200 -1.927 14.657 1.00 0.00 O ATOM 0 H GLY A 63 -14.847 0.826 13.041 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.333 -0.013 12.179 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.759 0.522 13.793 1.00 0.00 H new ATOM 1047 N GLY A 64 -12.163 -2.429 12.705 1.00 0.00 N ATOM 1048 CA GLY A 64 -11.906 -3.815 13.054 1.00 0.00 C ATOM 1049 C GLY A 64 -12.254 -4.775 11.927 1.00 0.00 C ATOM 1050 O GLY A 64 -11.939 -5.965 12.012 1.00 0.00 O ATOM 0 H GLY A 64 -11.818 -2.156 11.785 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.854 -3.931 13.314 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.484 -4.076 13.940 1.00 0.00 H new ATOM 1054 N SER A 65 -12.908 -4.256 10.869 1.00 0.00 N ATOM 1055 CA SER A 65 -13.300 -5.069 9.713 1.00 0.00 C ATOM 1056 C SER A 65 -12.112 -5.349 8.784 1.00 0.00 C ATOM 1057 O SER A 65 -11.094 -4.644 8.826 1.00 0.00 O ATOM 1058 CB SER A 65 -14.415 -4.365 8.942 1.00 0.00 C ATOM 1059 OG SER A 65 -15.577 -4.221 9.740 1.00 0.00 O ATOM 0 H SER A 65 -13.174 -3.274 10.796 1.00 0.00 H new ATOM 0 HA SER A 65 -13.659 -6.029 10.084 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.071 -3.384 8.615 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.655 -4.934 8.044 1.00 0.00 H new ATOM 0 HG SER A 65 -15.432 -3.516 10.405 1.00 0.00 H new ATOM 1065 N VAL A 66 -12.264 -6.382 7.948 1.00 0.00 N ATOM 1066 CA VAL A 66 -11.221 -6.789 7.004 1.00 0.00 C ATOM 1067 C VAL A 66 -11.702 -6.521 5.577 1.00 0.00 C ATOM 1068 O VAL A 66 -12.704 -7.093 5.135 1.00 0.00 O ATOM 1069 CB VAL A 66 -10.841 -8.296 7.170 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -9.584 -8.650 6.377 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -10.641 -8.659 8.640 1.00 0.00 C ATOM 0 H VAL A 66 -13.107 -6.955 7.907 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.325 -6.205 7.212 1.00 0.00 H new ATOM 0 HB VAL A 66 -11.675 -8.876 6.774 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.351 -9.706 6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.754 -8.453 5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.749 -8.044 6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.378 -9.714 8.722 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.839 -8.051 9.059 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.563 -8.472 9.190 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.981 -5.648 4.871 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.332 -5.284 3.500 1.00 0.00 C ATOM 1083 C LEU A 67 -10.284 -5.772 2.502 1.00 0.00 C ATOM 1084 O LEU A 67 -9.124 -5.989 2.859 1.00 0.00 O ATOM 1085 CB LEU A 67 -11.497 -3.756 3.369 1.00 0.00 C ATOM 1086 CG LEU A 67 -12.566 -3.098 4.261 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -12.348 -1.596 4.312 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -13.972 -3.396 3.751 1.00 0.00 C ATOM 0 H LEU A 67 -10.148 -5.180 5.229 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.279 -5.772 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.536 -3.290 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.733 -3.527 2.330 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.470 -3.515 5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -13.109 -1.139 4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.360 -1.385 4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -12.418 -1.184 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.704 -2.918 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.081 -3.010 2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.138 -4.473 3.749 1.00 0.00 H new ATOM 1100 N HIS A 68 -10.723 -5.943 1.252 1.00 0.00 N ATOM 1101 CA HIS A 68 -9.866 -6.382 0.157 1.00 0.00 C ATOM 1102 C HIS A 68 -9.724 -5.253 -0.862 1.00 0.00 C ATOM 1103 O HIS A 68 -10.473 -4.273 -0.811 1.00 0.00 O ATOM 1104 CB HIS A 68 -10.455 -7.631 -0.509 1.00 0.00 C ATOM 1105 CG HIS A 68 -10.175 -8.897 0.240 1.00 0.00 C ATOM 1106 ND1 HIS A 68 -9.180 -9.780 -0.121 1.00 0.00 N ATOM 1107 CD2 HIS A 68 -10.768 -9.427 1.336 1.00 0.00 C ATOM 1108 CE1 HIS A 68 -9.173 -10.799 0.719 1.00 0.00 C ATOM 1109 NE2 HIS A 68 -10.125 -10.608 1.612 1.00 0.00 N ATOM 0 H HIS A 68 -11.690 -5.779 0.974 1.00 0.00 H new ATOM 0 HA HIS A 68 -8.881 -6.635 0.550 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -11.534 -7.507 -0.606 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -10.052 -7.719 -1.518 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -11.592 -9.001 1.889 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.502 -11.645 0.681 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -10.348 -11.237 2.384 1.00 0.00 H new ATOM 1118 N LEU A 69 -8.757 -5.384 -1.776 1.00 0.00 N ATOM 1119 CA LEU A 69 -8.527 -4.366 -2.800 1.00 0.00 C ATOM 1120 C LEU A 69 -8.174 -5.010 -4.142 1.00 0.00 C ATOM 1121 O LEU A 69 -7.098 -5.601 -4.289 1.00 0.00 O ATOM 1122 CB LEU A 69 -7.398 -3.411 -2.347 1.00 0.00 C ATOM 1123 CG LEU A 69 -7.205 -2.131 -3.179 1.00 0.00 C ATOM 1124 CD1 LEU A 69 -8.090 -1.003 -2.667 1.00 0.00 C ATOM 1125 CD2 LEU A 69 -5.745 -1.707 -3.166 1.00 0.00 C ATOM 0 H LEU A 69 -8.124 -6.183 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.446 -3.795 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.591 -3.121 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.460 -3.966 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.499 -2.349 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.932 -0.112 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.136 -1.304 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.837 -0.784 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.624 -0.800 -3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.431 -1.514 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.131 -2.502 -3.590 1.00 0.00 H new ATOM 1137 N VAL A 70 -9.094 -4.909 -5.113 1.00 0.00 N ATOM 1138 CA VAL A 70 -8.836 -5.453 -6.452 1.00 0.00 C ATOM 1139 C VAL A 70 -8.350 -4.349 -7.392 1.00 0.00 C ATOM 1140 O VAL A 70 -8.913 -3.248 -7.416 1.00 0.00 O ATOM 1141 CB VAL A 70 -10.057 -6.189 -7.074 1.00 0.00 C ATOM 1142 CG1 VAL A 70 -10.200 -7.573 -6.463 1.00 0.00 C ATOM 1143 CG2 VAL A 70 -11.360 -5.405 -6.924 1.00 0.00 C ATOM 0 H VAL A 70 -10.005 -4.465 -4.999 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.056 -6.204 -6.328 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.865 -6.279 -8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.058 -8.079 -6.906 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.297 -8.152 -6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.348 -7.482 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.177 -5.967 -7.376 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.570 -5.247 -5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.264 -4.440 -7.422 1.00 0.00 H new ATOM 1153 N LEU A 71 -7.294 -4.660 -8.145 1.00 0.00 N ATOM 1154 CA LEU A 71 -6.692 -3.707 -9.078 1.00 0.00 C ATOM 1155 C LEU A 71 -7.013 -4.056 -10.527 1.00 0.00 C ATOM 1156 O LEU A 71 -7.354 -5.199 -10.845 1.00 0.00 O ATOM 1157 CB LEU A 71 -5.172 -3.653 -8.880 1.00 0.00 C ATOM 1158 CG LEU A 71 -4.699 -2.897 -7.634 1.00 0.00 C ATOM 1159 CD1 LEU A 71 -4.575 -3.838 -6.445 1.00 0.00 C ATOM 1160 CD2 LEU A 71 -3.374 -2.201 -7.908 1.00 0.00 C ATOM 0 H LEU A 71 -6.835 -5.571 -8.126 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.120 -2.727 -8.865 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.792 -4.674 -8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.724 -3.188 -9.758 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.444 -2.140 -7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.238 -3.279 -5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.545 -4.289 -6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.853 -4.622 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.051 -1.668 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.623 -2.943 -8.180 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.498 -1.493 -8.727 1.00 0.00 H new ATOM 1172 N ALA A 72 -6.894 -3.047 -11.398 1.00 0.00 N ATOM 1173 CA ALA A 72 -7.160 -3.205 -12.824 1.00 0.00 C ATOM 1174 C ALA A 72 -5.860 -3.375 -13.606 1.00 0.00 C ATOM 1175 O ALA A 72 -4.957 -2.535 -13.518 1.00 0.00 O ATOM 1176 CB ALA A 72 -7.946 -2.010 -13.346 1.00 0.00 C ATOM 0 H ALA A 72 -6.612 -2.104 -11.131 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.757 -4.106 -12.965 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.139 -2.139 -14.411 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.893 -1.936 -12.812 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.369 -1.099 -13.189 1.00 0.00 H new ATOM 1182 N LEU A 73 -5.774 -4.474 -14.364 1.00 0.00 N ATOM 1183 CA LEU A 73 -4.590 -4.778 -15.176 1.00 0.00 C ATOM 1184 C LEU A 73 -4.984 -5.217 -16.588 1.00 0.00 C ATOM 1185 O LEU A 73 -4.355 -4.804 -17.566 1.00 0.00 O ATOM 1186 CB LEU A 73 -3.741 -5.871 -14.506 1.00 0.00 C ATOM 1187 CG LEU A 73 -3.062 -5.470 -13.189 1.00 0.00 C ATOM 1188 CD1 LEU A 73 -2.876 -6.687 -12.297 1.00 0.00 C ATOM 1189 CD2 LEU A 73 -1.718 -4.799 -13.453 1.00 0.00 C ATOM 0 H LEU A 73 -6.515 -5.172 -14.432 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.999 -3.865 -15.253 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.377 -6.736 -14.317 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.971 -6.189 -15.209 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.707 -4.755 -12.678 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.393 -6.386 -11.367 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.848 -7.128 -12.075 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.253 -7.421 -12.808 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.256 -4.524 -12.505 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.066 -5.489 -13.988 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.871 -3.904 -14.055 1.00 0.00 H new ATOM 1201 N ARG A 74 -6.026 -6.053 -16.680 1.00 0.00 N ATOM 1202 CA ARG A 74 -6.513 -6.558 -17.968 1.00 0.00 C ATOM 1203 C ARG A 74 -8.009 -6.281 -18.136 1.00 0.00 C ATOM 1204 O ARG A 74 -8.816 -6.651 -17.278 1.00 0.00 O ATOM 1205 CB ARG A 74 -6.216 -8.067 -18.123 1.00 0.00 C ATOM 1206 CG ARG A 74 -6.657 -8.945 -16.949 1.00 0.00 C ATOM 1207 CD ARG A 74 -6.305 -10.406 -17.183 1.00 0.00 C ATOM 1208 NE ARG A 74 -6.713 -11.255 -16.058 1.00 0.00 N ATOM 1209 CZ ARG A 74 -6.481 -12.573 -15.973 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -5.838 -13.224 -16.941 1.00 0.00 N1+ ATOM 1211 NH2 ARG A 74 -6.897 -13.243 -14.907 1.00 0.00 N ATOM 0 H ARG A 74 -6.549 -6.394 -15.874 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.979 -6.026 -18.756 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.706 -8.426 -19.028 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.144 -8.196 -18.269 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.179 -8.597 -16.033 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.733 -8.847 -16.804 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.790 -10.754 -18.095 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.230 -10.500 -17.337 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.209 -10.811 -15.285 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.512 -12.720 -17.766 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.671 -14.227 -16.858 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.390 -12.756 -14.159 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.724 -14.246 -14.835 1.00 0.00 H new ATOM 1225 N GLY A 75 -8.360 -5.631 -19.251 1.00 0.00 N ATOM 1226 CA GLY A 75 -9.750 -5.305 -19.533 1.00 0.00 C ATOM 1227 C GLY A 75 -9.914 -3.915 -20.114 1.00 0.00 C ATOM 1228 O GLY A 75 -9.143 -3.007 -19.786 1.00 0.00 O ATOM 0 H GLY A 75 -7.700 -5.324 -19.966 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.157 -6.037 -20.230 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.331 -5.382 -18.614 1.00 0.00 H new ATOM 1232 N GLY A 76 -10.922 -3.755 -20.976 1.00 0.00 N ATOM 1233 CA GLY A 76 -11.190 -2.469 -21.604 1.00 0.00 C ATOM 1234 C GLY A 76 -12.446 -1.812 -21.068 1.00 0.00 C ATOM 1235 O GLY A 76 -12.344 -1.054 -20.081 1.00 0.00 O ATOM 0 H GLY A 76 -11.561 -4.501 -21.251 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.340 -1.806 -21.443 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.287 -2.607 -22.681 1.00 0.00 H new TER 1239 GLY A 76 ATOM 1240 N GLY B 77 23.740 -1.831 -13.715 1.00 0.00 N ATOM 1241 CA GLY B 77 22.404 -2.479 -13.602 1.00 0.00 C ATOM 1242 C GLY B 77 22.144 -3.038 -12.217 1.00 0.00 C ATOM 1243 O GLY B 77 22.697 -4.080 -11.851 1.00 0.00 O ATOM 0 HA2 GLY B 77 21.630 -1.752 -13.848 1.00 0.00 H new ATOM 0 HA3 GLY B 77 22.331 -3.283 -14.334 1.00 0.00 H new ATOM 1249 N GLY B 78 21.302 -2.338 -11.449 1.00 0.00 N ATOM 1250 CA GLY B 78 20.970 -2.767 -10.099 1.00 0.00 C ATOM 1251 C GLY B 78 20.787 -1.603 -9.144 1.00 0.00 C ATOM 1252 O GLY B 78 19.755 -1.502 -8.474 1.00 0.00 O ATOM 0 H GLY B 78 20.843 -1.476 -11.744 1.00 0.00 H new ATOM 0 HA2 GLY B 78 20.055 -3.358 -10.125 1.00 0.00 H new ATOM 0 HA3 GLY B 78 21.760 -3.418 -9.724 1.00 0.00 H new ATOM 1256 N ILE B 79 21.793 -0.722 -9.089 1.00 0.00 N ATOM 1257 CA ILE B 79 21.762 0.455 -8.209 1.00 0.00 C ATOM 1258 C ILE B 79 21.159 1.674 -8.920 1.00 0.00 C ATOM 1259 O ILE B 79 21.792 2.270 -9.800 1.00 0.00 O ATOM 1260 CB ILE B 79 23.171 0.812 -7.639 1.00 0.00 C ATOM 1261 CG1 ILE B 79 24.264 0.785 -8.731 1.00 0.00 C ATOM 1262 CG2 ILE B 79 23.528 -0.139 -6.501 1.00 0.00 C ATOM 1263 CD1 ILE B 79 25.305 1.878 -8.587 1.00 0.00 C ATOM 0 H ILE B 79 22.643 -0.802 -9.646 1.00 0.00 H new ATOM 0 HA ILE B 79 21.122 0.187 -7.368 1.00 0.00 H new ATOM 0 HB ILE B 79 23.125 1.832 -7.257 1.00 0.00 H new ATOM 0 HG12 ILE B 79 24.763 -0.184 -8.707 1.00 0.00 H new ATOM 0 HG13 ILE B 79 23.790 0.875 -9.708 1.00 0.00 H new ATOM 0 HG21 ILE B 79 24.512 0.116 -6.109 1.00 0.00 H new ATOM 0 HG22 ILE B 79 22.787 -0.051 -5.707 1.00 0.00 H new ATOM 0 HG23 ILE B 79 23.540 -1.163 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE B 79 26.037 1.792 -9.390 1.00 0.00 H new ATOM 0 HD12 ILE B 79 24.819 2.852 -8.642 1.00 0.00 H new ATOM 0 HD13 ILE B 79 25.808 1.777 -7.625 1.00 0.00 H new ATOM 1275 N ARG B 80 19.925 2.021 -8.533 1.00 0.00 N ATOM 1276 CA ARG B 80 19.207 3.161 -9.115 1.00 0.00 C ATOM 1277 C ARG B 80 18.402 3.909 -8.049 1.00 0.00 C ATOM 1278 O ARG B 80 18.541 5.127 -7.904 1.00 0.00 O ATOM 1279 CB ARG B 80 18.270 2.691 -10.237 1.00 0.00 C ATOM 1280 CG ARG B 80 18.978 2.368 -11.541 1.00 0.00 C ATOM 1281 CD ARG B 80 18.053 1.621 -12.494 1.00 0.00 C ATOM 1282 NE ARG B 80 18.188 0.159 -12.381 1.00 0.00 N ATOM 1283 CZ ARG B 80 17.534 -0.616 -11.496 1.00 0.00 C ATOM 1284 NH1 ARG B 80 16.684 -0.097 -10.610 1.00 0.00 N1+ ATOM 1285 NH2 ARG B 80 17.737 -1.927 -11.507 1.00 0.00 N ATOM 0 H ARG B 80 19.400 1.524 -7.814 1.00 0.00 H new ATOM 0 HA ARG B 80 19.949 3.843 -9.530 1.00 0.00 H new ATOM 0 HB2 ARG B 80 17.732 1.805 -9.899 1.00 0.00 H new ATOM 0 HB3 ARG B 80 17.525 3.465 -10.422 1.00 0.00 H new ATOM 0 HG2 ARG B 80 19.322 3.290 -12.010 1.00 0.00 H new ATOM 0 HG3 ARG B 80 19.862 1.764 -11.339 1.00 0.00 H new ATOM 0 HD2 ARG B 80 17.020 1.904 -12.289 1.00 0.00 H new ATOM 0 HD3 ARG B 80 18.270 1.925 -13.518 1.00 0.00 H new ATOM 0 HE ARG B 80 18.829 -0.304 -13.026 1.00 0.00 H new ATOM 0 HH11 ARG B 80 16.517 0.909 -10.592 1.00 0.00 H new ATOM 0 HH12 ARG B 80 16.201 -0.706 -9.950 1.00 0.00 H new ATOM 0 HH21 ARG B 80 18.383 -2.337 -12.181 1.00 0.00 H new ATOM 0 HH22 ARG B 80 17.247 -2.525 -10.841 1.00 0.00 H new ATOM 1299 N LYS B 81 17.566 3.167 -7.312 1.00 0.00 N ATOM 1300 CA LYS B 81 16.727 3.745 -6.260 1.00 0.00 C ATOM 1301 C LYS B 81 17.163 3.253 -4.869 1.00 0.00 C ATOM 1302 O LYS B 81 16.409 3.357 -3.894 1.00 0.00 O ATOM 1303 CB LYS B 81 15.252 3.395 -6.524 1.00 0.00 C ATOM 1304 CG LYS B 81 14.273 4.490 -6.113 1.00 0.00 C ATOM 1305 CD LYS B 81 14.009 5.467 -7.251 1.00 0.00 C ATOM 1306 CE LYS B 81 13.263 6.699 -6.764 1.00 0.00 C ATOM 1307 NZ LYS B 81 12.832 7.570 -7.891 1.00 0.00 N1+ ATOM 0 H LYS B 81 17.454 2.160 -7.428 1.00 0.00 H new ATOM 0 HA LYS B 81 16.845 4.829 -6.276 1.00 0.00 H new ATOM 0 HB2 LYS B 81 15.123 3.186 -7.586 1.00 0.00 H new ATOM 0 HB3 LYS B 81 15.004 2.480 -5.987 1.00 0.00 H new ATOM 0 HG2 LYS B 81 13.333 4.038 -5.797 1.00 0.00 H new ATOM 0 HG3 LYS B 81 14.671 5.031 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS B 81 14.955 5.767 -7.701 1.00 0.00 H new ATOM 0 HD3 LYS B 81 13.428 4.972 -8.030 1.00 0.00 H new ATOM 0 HE2 LYS B 81 12.390 6.391 -6.189 1.00 0.00 H new ATOM 0 HE3 LYS B 81 13.903 7.268 -6.090 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 12.327 8.398 -7.516 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 13.667 7.886 -8.425 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 12.200 7.036 -8.521 1.00 0.00 H new ATOM 1321 N THR B 82 18.403 2.748 -4.784 1.00 0.00 N ATOM 1322 CA THR B 82 18.976 2.233 -3.529 1.00 0.00 C ATOM 1323 C THR B 82 19.266 3.352 -2.526 1.00 0.00 C ATOM 1324 O THR B 82 19.016 3.206 -1.332 1.00 0.00 O ATOM 1325 CB THR B 82 20.285 1.450 -3.781 1.00 0.00 C ATOM 1326 OG1 THR B 82 21.158 2.208 -4.629 1.00 0.00 O ATOM 1327 CG2 THR B 82 20.005 0.094 -4.414 1.00 0.00 C ATOM 0 H THR B 82 19.036 2.685 -5.581 1.00 0.00 H new ATOM 0 HA THR B 82 18.223 1.565 -3.110 1.00 0.00 H new ATOM 0 HB THR B 82 20.767 1.285 -2.817 1.00 0.00 H new ATOM 0 HG1 THR B 82 22.041 1.783 -4.653 1.00 0.00 H new ATOM 0 HG21 THR B 82 20.945 -0.432 -4.579 1.00 0.00 H new ATOM 0 HG22 THR B 82 19.372 -0.494 -3.749 1.00 0.00 H new ATOM 0 HG23 THR B 82 19.497 0.236 -5.368 1.00 0.00 H new ATOM 1335 N ARG B 83 19.791 4.467 -3.037 1.00 0.00 N ATOM 1336 CA ARG B 83 20.159 5.637 -2.224 1.00 0.00 C ATOM 1337 C ARG B 83 18.993 6.232 -1.416 1.00 0.00 C ATOM 1338 O ARG B 83 19.182 6.603 -0.264 1.00 0.00 O ATOM 1339 CB ARG B 83 20.766 6.725 -3.117 1.00 0.00 C ATOM 1340 CG ARG B 83 22.175 6.413 -3.598 1.00 0.00 C ATOM 1341 CD ARG B 83 22.719 7.519 -4.487 1.00 0.00 C ATOM 1342 NE ARG B 83 24.079 7.228 -4.956 1.00 0.00 N ATOM 1343 CZ ARG B 83 24.784 8.008 -5.785 1.00 0.00 C ATOM 1344 NH1 ARG B 83 24.279 9.147 -6.259 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 83 26.008 7.644 -6.144 1.00 0.00 N ATOM 0 H ARG B 83 19.976 4.589 -4.033 1.00 0.00 H new ATOM 0 HA ARG B 83 20.888 5.278 -1.498 1.00 0.00 H new ATOM 0 HB2 ARG B 83 20.121 6.872 -3.983 1.00 0.00 H new ATOM 0 HB3 ARG B 83 20.780 7.666 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG B 83 22.832 6.279 -2.739 1.00 0.00 H new ATOM 0 HG3 ARG B 83 22.173 5.472 -4.147 1.00 0.00 H new ATOM 0 HD2 ARG B 83 22.060 7.652 -5.345 1.00 0.00 H new ATOM 0 HD3 ARG B 83 22.719 8.460 -3.937 1.00 0.00 H new ATOM 0 HE ARG B 83 24.519 6.369 -4.626 1.00 0.00 H new ATOM 0 HH11 ARG B 83 23.339 9.439 -5.991 1.00 0.00 H new ATOM 0 HH12 ARG B 83 24.833 9.727 -6.889 1.00 0.00 H new ATOM 0 HH21 ARG B 83 26.406 6.775 -5.789 1.00 0.00 H new ATOM 0 HH22 ARG B 83 26.551 8.233 -6.775 1.00 0.00 H new ATOM 1359 N GLU B 84 17.796 6.309 -2.019 1.00 0.00 N ATOM 1360 CA GLU B 84 16.629 6.922 -1.383 1.00 0.00 C ATOM 1361 C GLU B 84 16.035 6.010 -0.324 1.00 0.00 C ATOM 1362 O GLU B 84 15.660 6.444 0.771 1.00 0.00 O ATOM 1363 CB GLU B 84 15.584 7.260 -2.447 1.00 0.00 C ATOM 1364 CG GLU B 84 15.840 8.583 -3.152 1.00 0.00 C ATOM 1365 CD GLU B 84 14.811 8.883 -4.224 1.00 0.00 C ATOM 1366 OE1 GLU B 84 13.678 9.270 -3.868 1.00 0.00 O1- ATOM 1367 OE2 GLU B 84 15.138 8.731 -5.420 1.00 0.00 O ATOM 0 H GLU B 84 17.615 5.949 -2.956 1.00 0.00 H new ATOM 0 HA GLU B 84 16.947 7.838 -0.886 1.00 0.00 H new ATOM 0 HB2 GLU B 84 15.561 6.461 -3.188 1.00 0.00 H new ATOM 0 HB3 GLU B 84 14.599 7.291 -1.981 1.00 0.00 H new ATOM 0 HG2 GLU B 84 15.838 9.388 -2.417 1.00 0.00 H new ATOM 0 HG3 GLU B 84 16.833 8.564 -3.602 1.00 0.00 H new ATOM 1374 N THR B 85 15.985 4.730 -0.686 1.00 0.00 N ATOM 1375 CA THR B 85 15.425 3.673 0.140 1.00 0.00 C ATOM 1376 C THR B 85 16.168 3.473 1.458 1.00 0.00 C ATOM 1377 O THR B 85 15.613 3.695 2.529 1.00 0.00 O ATOM 1378 CB THR B 85 15.433 2.345 -0.636 1.00 0.00 C ATOM 1379 OG1 THR B 85 16.743 2.071 -1.144 1.00 0.00 O ATOM 1380 CG2 THR B 85 14.446 2.384 -1.790 1.00 0.00 C ATOM 0 H THR B 85 16.341 4.396 -1.581 1.00 0.00 H new ATOM 0 HA THR B 85 14.408 3.983 0.382 1.00 0.00 H new ATOM 0 HB THR B 85 15.138 1.555 0.055 1.00 0.00 H new ATOM 0 HG1 THR B 85 17.272 2.896 -1.146 1.00 0.00 H new ATOM 0 HG21 THR B 85 14.471 1.433 -2.323 1.00 0.00 H new ATOM 0 HG22 THR B 85 13.441 2.557 -1.404 1.00 0.00 H new ATOM 0 HG23 THR B 85 14.716 3.190 -2.473 1.00 0.00 H new ATOM 1388 N GLU B 86 17.438 3.095 1.377 1.00 0.00 N ATOM 1389 CA GLU B 86 18.237 2.844 2.570 1.00 0.00 C ATOM 1390 C GLU B 86 18.527 4.119 3.375 1.00 0.00 C ATOM 1391 O GLU B 86 18.529 4.062 4.600 1.00 0.00 O ATOM 1392 CB GLU B 86 19.497 2.014 2.269 1.00 0.00 C ATOM 1393 CG GLU B 86 20.401 2.560 1.171 1.00 0.00 C ATOM 1394 CD GLU B 86 21.528 1.610 0.820 1.00 0.00 C ATOM 1395 OE1 GLU B 86 22.601 1.703 1.450 1.00 0.00 O1- ATOM 1396 OE2 GLU B 86 21.334 0.770 -0.085 1.00 0.00 O ATOM 0 H GLU B 86 17.936 2.956 0.498 1.00 0.00 H new ATOM 0 HA GLU B 86 17.623 2.225 3.224 1.00 0.00 H new ATOM 0 HB2 GLU B 86 20.081 1.928 3.186 1.00 0.00 H new ATOM 0 HB3 GLU B 86 19.188 1.006 1.992 1.00 0.00 H new ATOM 0 HG2 GLU B 86 19.806 2.757 0.279 1.00 0.00 H new ATOM 0 HG3 GLU B 86 20.821 3.514 1.491 1.00 0.00 H new ATOM 1403 N ARG B 87 18.785 5.260 2.690 1.00 0.00 N ATOM 1404 CA ARG B 87 19.049 6.547 3.379 1.00 0.00 C ATOM 1405 C ARG B 87 17.963 6.846 4.422 1.00 0.00 C ATOM 1406 O ARG B 87 18.274 7.327 5.515 1.00 0.00 O ATOM 1407 CB ARG B 87 19.150 7.708 2.390 1.00 0.00 C ATOM 1408 CG ARG B 87 20.579 8.045 1.995 1.00 0.00 C ATOM 1409 CD ARG B 87 20.631 9.210 1.021 1.00 0.00 C ATOM 1410 NE ARG B 87 22.009 9.559 0.655 1.00 0.00 N ATOM 1411 CZ ARG B 87 22.355 10.607 -0.107 1.00 0.00 C ATOM 1412 NH1 ARG B 87 21.435 11.433 -0.602 1.00 0.00 N1+ ATOM 1413 NH2 ARG B 87 23.635 10.827 -0.375 1.00 0.00 N ATOM 0 H ARG B 87 18.816 5.316 1.672 1.00 0.00 H new ATOM 0 HA ARG B 87 20.009 6.445 3.885 1.00 0.00 H new ATOM 0 HB2 ARG B 87 18.582 7.461 1.493 1.00 0.00 H new ATOM 0 HB3 ARG B 87 18.685 8.591 2.829 1.00 0.00 H new ATOM 0 HG2 ARG B 87 21.155 8.290 2.887 1.00 0.00 H new ATOM 0 HG3 ARG B 87 21.048 7.171 1.543 1.00 0.00 H new ATOM 0 HD2 ARG B 87 20.070 8.956 0.122 1.00 0.00 H new ATOM 0 HD3 ARG B 87 20.143 10.077 1.466 1.00 0.00 H new ATOM 0 HE ARG B 87 22.757 8.961 1.006 1.00 0.00 H new ATOM 0 HH11 ARG B 87 20.447 11.274 -0.404 1.00 0.00 H new ATOM 0 HH12 ARG B 87 21.718 12.225 -1.180 1.00 0.00 H new ATOM 0 HH21 ARG B 87 24.349 10.201 -0.002 1.00 0.00 H new ATOM 0 HH22 ARG B 87 23.906 11.622 -0.954 1.00 0.00 H new ATOM 1427 N LEU B 88 16.689 6.567 4.067 1.00 0.00 N ATOM 1428 CA LEU B 88 15.554 6.726 5.004 1.00 0.00 C ATOM 1429 C LEU B 88 15.826 5.887 6.241 1.00 0.00 C ATOM 1430 O LEU B 88 15.869 6.353 7.381 1.00 0.00 O ATOM 1431 CB LEU B 88 14.232 6.170 4.386 1.00 0.00 C ATOM 1432 CG LEU B 88 13.806 4.764 4.955 1.00 0.00 C ATOM 1433 CD1 LEU B 88 12.709 4.824 6.004 1.00 0.00 C ATOM 1434 CD2 LEU B 88 13.448 3.777 3.879 1.00 0.00 C ATOM 0 H LEU B 88 16.421 6.232 3.142 1.00 0.00 H new ATOM 0 HA LEU B 88 15.450 7.788 5.228 1.00 0.00 H new ATOM 0 HB2 LEU B 88 13.429 6.884 4.568 1.00 0.00 H new ATOM 0 HB3 LEU B 88 14.351 6.093 3.305 1.00 0.00 H new ATOM 0 HG LEU B 88 14.704 4.405 5.458 1.00 0.00 H new ATOM 0 HD11 LEU B 88 12.475 3.815 6.344 1.00 0.00 H new ATOM 0 HD12 LEU B 88 13.047 5.422 6.850 1.00 0.00 H new ATOM 0 HD13 LEU B 88 11.817 5.278 5.572 1.00 0.00 H new ATOM 0 HD21 LEU B 88 13.164 2.829 4.335 1.00 0.00 H new ATOM 0 HD22 LEU B 88 12.613 4.163 3.294 1.00 0.00 H new ATOM 0 HD23 LEU B 88 14.307 3.622 3.226 1.00 0.00 H new ATOM 1446 N ARG B 89 16.000 4.614 5.907 1.00 0.00 N ATOM 1447 CA ARG B 89 16.204 3.517 6.831 1.00 0.00 C ATOM 1448 C ARG B 89 17.449 3.697 7.710 1.00 0.00 C ATOM 1449 O ARG B 89 17.411 3.399 8.908 1.00 0.00 O ATOM 1450 CB ARG B 89 16.213 2.232 5.992 1.00 0.00 C ATOM 1451 CG ARG B 89 15.535 1.041 6.668 1.00 0.00 C ATOM 1452 CD ARG B 89 16.381 0.431 7.782 1.00 0.00 C ATOM 1453 NE ARG B 89 15.663 -0.632 8.493 1.00 0.00 N ATOM 1454 CZ ARG B 89 15.631 -0.774 9.827 1.00 0.00 C ATOM 1455 NH1 ARG B 89 16.275 0.075 10.627 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 89 14.949 -1.776 10.362 1.00 0.00 N ATOM 0 H ARG B 89 16.002 4.309 4.934 1.00 0.00 H new ATOM 0 HA ARG B 89 15.396 3.473 7.562 1.00 0.00 H new ATOM 0 HB2 ARG B 89 15.716 2.428 5.042 1.00 0.00 H new ATOM 0 HB3 ARG B 89 17.245 1.967 5.764 1.00 0.00 H new ATOM 0 HG2 ARG B 89 14.577 1.360 7.079 1.00 0.00 H new ATOM 0 HG3 ARG B 89 15.323 0.277 5.920 1.00 0.00 H new ATOM 0 HD2 ARG B 89 17.302 0.028 7.360 1.00 0.00 H new ATOM 0 HD3 ARG B 89 16.668 1.210 8.488 1.00 0.00 H new ATOM 0 HE ARG B 89 15.151 -1.313 7.933 1.00 0.00 H new ATOM 0 HH11 ARG B 89 16.805 0.850 10.228 1.00 0.00 H new ATOM 0 HH12 ARG B 89 16.238 -0.050 11.639 1.00 0.00 H new ATOM 0 HH21 ARG B 89 14.453 -2.434 9.761 1.00 0.00 H new ATOM 0 HH22 ARG B 89 14.920 -1.890 11.375 1.00 0.00 H new ATOM 1470 N ARG B 90 18.541 4.179 7.109 1.00 0.00 N ATOM 1471 CA ARG B 90 19.789 4.453 7.833 1.00 0.00 C ATOM 1472 C ARG B 90 19.634 5.712 8.710 1.00 0.00 C ATOM 1473 O ARG B 90 20.097 5.743 9.855 1.00 0.00 O ATOM 1474 CB ARG B 90 20.952 4.625 6.840 1.00 0.00 C ATOM 1475 CG ARG B 90 22.331 4.299 7.416 1.00 0.00 C ATOM 1476 CD ARG B 90 22.642 2.809 7.347 1.00 0.00 C ATOM 1477 NE ARG B 90 23.953 2.495 7.928 1.00 0.00 N ATOM 1478 CZ ARG B 90 24.369 1.263 8.256 1.00 0.00 C ATOM 1479 NH1 ARG B 90 23.589 0.200 8.069 1.00 0.00 N1+ ATOM 1480 NH2 ARG B 90 25.576 1.098 8.777 1.00 0.00 N ATOM 0 H ARG B 90 18.587 4.390 6.112 1.00 0.00 H new ATOM 0 HA ARG B 90 20.011 3.607 8.483 1.00 0.00 H new ATOM 0 HB2 ARG B 90 20.773 3.985 5.976 1.00 0.00 H new ATOM 0 HB3 ARG B 90 20.957 5.654 6.480 1.00 0.00 H new ATOM 0 HG2 ARG B 90 23.093 4.854 6.868 1.00 0.00 H new ATOM 0 HG3 ARG B 90 22.378 4.631 8.453 1.00 0.00 H new ATOM 0 HD2 ARG B 90 21.868 2.252 7.875 1.00 0.00 H new ATOM 0 HD3 ARG B 90 22.618 2.481 6.308 1.00 0.00 H new ATOM 0 HE ARG B 90 24.594 3.270 8.094 1.00 0.00 H new ATOM 0 HH11 ARG B 90 22.657 0.315 7.670 1.00 0.00 H new ATOM 0 HH12 ARG B 90 23.923 -0.729 8.325 1.00 0.00 H new ATOM 0 HH21 ARG B 90 26.182 1.905 8.926 1.00 0.00 H new ATOM 0 HH22 ARG B 90 25.899 0.164 9.029 1.00 0.00 H new ATOM 1494 N GLN B 91 18.973 6.736 8.147 1.00 0.00 N ATOM 1495 CA GLN B 91 18.729 8.009 8.837 1.00 0.00 C ATOM 1496 C GLN B 91 17.324 8.023 9.476 1.00 0.00 C ATOM 1497 O GLN B 91 16.763 6.960 9.760 1.00 0.00 O ATOM 1498 CB GLN B 91 18.908 9.177 7.851 1.00 0.00 C ATOM 1499 CG GLN B 91 20.357 9.444 7.467 1.00 0.00 C ATOM 1500 CD GLN B 91 20.499 10.604 6.501 1.00 0.00 C ATOM 1501 OE1 GLN B 91 20.647 11.755 6.912 1.00 0.00 O ATOM 1502 NE2 GLN B 91 20.456 10.305 5.208 1.00 0.00 N ATOM 0 H GLN B 91 18.593 6.703 7.201 1.00 0.00 H new ATOM 0 HA GLN B 91 19.455 8.123 9.642 1.00 0.00 H new ATOM 0 HB2 GLN B 91 18.336 8.968 6.947 1.00 0.00 H new ATOM 0 HB3 GLN B 91 18.487 10.080 8.293 1.00 0.00 H new ATOM 0 HG2 GLN B 91 20.935 9.653 8.367 1.00 0.00 H new ATOM 0 HG3 GLN B 91 20.781 8.547 7.017 1.00 0.00 H new ATOM 0 HE21 GLN B 91 20.332 9.337 4.912 1.00 0.00 H new ATOM 0 HE22 GLN B 91 20.547 11.044 4.510 1.00 0.00 H new ATOM 1511 N LEU B 92 16.767 9.227 9.708 1.00 0.00 N ATOM 1512 CA LEU B 92 15.441 9.378 10.322 1.00 0.00 C ATOM 1513 C LEU B 92 14.333 9.656 9.284 1.00 0.00 C ATOM 1514 O LEU B 92 13.177 9.891 9.655 1.00 0.00 O ATOM 1515 CB LEU B 92 15.477 10.507 11.366 1.00 0.00 C ATOM 1516 CG LEU B 92 16.307 10.221 12.626 1.00 0.00 C ATOM 1517 CD1 LEU B 92 17.763 10.622 12.422 1.00 0.00 C ATOM 1518 CD2 LEU B 92 15.717 10.946 13.827 1.00 0.00 C ATOM 0 H LEU B 92 17.220 10.111 9.477 1.00 0.00 H new ATOM 0 HA LEU B 92 15.198 8.430 10.803 1.00 0.00 H new ATOM 0 HB2 LEU B 92 15.871 11.405 10.890 1.00 0.00 H new ATOM 0 HB3 LEU B 92 14.454 10.729 11.670 1.00 0.00 H new ATOM 0 HG LEU B 92 16.275 9.148 12.817 1.00 0.00 H new ATOM 0 HD11 LEU B 92 18.329 10.409 13.329 1.00 0.00 H new ATOM 0 HD12 LEU B 92 18.183 10.056 11.591 1.00 0.00 H new ATOM 0 HD13 LEU B 92 17.819 11.688 12.201 1.00 0.00 H new ATOM 0 HD21 LEU B 92 16.317 10.733 14.712 1.00 0.00 H new ATOM 0 HD22 LEU B 92 15.716 12.020 13.639 1.00 0.00 H new ATOM 0 HD23 LEU B 92 14.695 10.606 13.991 1.00 0.00 H new ATOM 1530 N LEU B 93 14.685 9.610 7.987 1.00 0.00 N ATOM 1531 CA LEU B 93 13.721 9.861 6.902 1.00 0.00 C ATOM 1532 C LEU B 93 13.015 8.563 6.464 1.00 0.00 C ATOM 1533 O LEU B 93 13.334 7.488 6.971 1.00 0.00 O ATOM 1534 CB LEU B 93 14.434 10.529 5.713 1.00 0.00 C ATOM 1535 CG LEU B 93 14.857 11.987 5.931 1.00 0.00 C ATOM 1536 CD1 LEU B 93 16.088 12.313 5.100 1.00 0.00 C ATOM 1537 CD2 LEU B 93 13.719 12.940 5.581 1.00 0.00 C ATOM 0 H LEU B 93 15.630 9.401 7.665 1.00 0.00 H new ATOM 0 HA LEU B 93 12.951 10.536 7.276 1.00 0.00 H new ATOM 0 HB2 LEU B 93 15.321 9.944 5.469 1.00 0.00 H new ATOM 0 HB3 LEU B 93 13.775 10.486 4.846 1.00 0.00 H new ATOM 0 HG LEU B 93 15.101 12.115 6.986 1.00 0.00 H new ATOM 0 HD11 LEU B 93 16.375 13.351 5.266 1.00 0.00 H new ATOM 0 HD12 LEU B 93 16.909 11.658 5.393 1.00 0.00 H new ATOM 0 HD13 LEU B 93 15.864 12.163 4.044 1.00 0.00 H new ATOM 0 HD21 LEU B 93 14.042 13.968 5.744 1.00 0.00 H new ATOM 0 HD22 LEU B 93 13.442 12.808 4.535 1.00 0.00 H new ATOM 0 HD23 LEU B 93 12.858 12.726 6.214 1.00 0.00 H new ATOM 1549 N GLU B 94 12.040 8.687 5.534 1.00 0.00 N ATOM 1550 CA GLU B 94 11.259 7.543 5.010 1.00 0.00 C ATOM 1551 C GLU B 94 10.940 7.770 3.522 1.00 0.00 C ATOM 1552 O GLU B 94 9.783 8.054 3.179 1.00 0.00 O ATOM 1553 CB GLU B 94 9.955 7.387 5.832 1.00 0.00 C ATOM 1554 CG GLU B 94 10.166 6.869 7.250 1.00 0.00 C ATOM 1555 CD GLU B 94 8.880 6.828 8.050 1.00 0.00 C ATOM 1556 OE1 GLU B 94 8.552 7.842 8.701 1.00 0.00 O1- ATOM 1557 OE2 GLU B 94 8.200 5.780 8.027 1.00 0.00 O ATOM 0 H GLU B 94 11.773 9.583 5.126 1.00 0.00 H new ATOM 0 HA GLU B 94 11.842 6.627 5.102 1.00 0.00 H new ATOM 0 HB2 GLU B 94 9.453 8.353 5.882 1.00 0.00 H new ATOM 0 HB3 GLU B 94 9.286 6.707 5.305 1.00 0.00 H new ATOM 0 HG2 GLU B 94 10.596 5.868 7.208 1.00 0.00 H new ATOM 0 HG3 GLU B 94 10.888 7.505 7.762 1.00 0.00 H new ATOM 1564 N VAL B 95 11.951 7.665 2.615 1.00 0.00 N ATOM 1565 CA VAL B 95 11.654 8.030 1.207 1.00 0.00 C ATOM 1566 C VAL B 95 10.894 6.969 0.323 1.00 0.00 C ATOM 1567 O VAL B 95 9.657 7.021 0.281 1.00 0.00 O ATOM 1568 CB VAL B 95 13.011 8.427 0.534 1.00 0.00 C ATOM 1569 CG1 VAL B 95 12.834 8.805 -0.938 1.00 0.00 C ATOM 1570 CG2 VAL B 95 13.662 9.590 1.277 1.00 0.00 C ATOM 0 H VAL B 95 12.903 7.356 2.811 1.00 0.00 H new ATOM 0 HA VAL B 95 10.935 8.848 1.259 1.00 0.00 H new ATOM 0 HB VAL B 95 13.656 7.550 0.587 1.00 0.00 H new ATOM 0 HG11 VAL B 95 13.801 9.073 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL B 95 12.420 7.958 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL B 95 12.155 9.654 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL B 95 14.603 9.850 0.793 1.00 0.00 H new ATOM 0 HG22 VAL B 95 12.995 10.452 1.259 1.00 0.00 H new ATOM 0 HG23 VAL B 95 13.853 9.300 2.310 1.00 0.00 H new ATOM 1580 N PHE B 96 11.600 5.958 -0.288 1.00 0.00 N ATOM 1581 CA PHE B 96 10.934 4.900 -1.088 1.00 0.00 C ATOM 1582 C PHE B 96 10.517 3.795 -0.178 1.00 0.00 C ATOM 1583 O PHE B 96 9.345 3.467 -0.010 1.00 0.00 O ATOM 1584 CB PHE B 96 11.792 4.348 -2.225 1.00 0.00 C ATOM 1585 CG PHE B 96 11.063 4.226 -3.539 1.00 0.00 C ATOM 1586 CD1 PHE B 96 10.920 5.311 -4.393 1.00 0.00 C ATOM 1587 CD2 PHE B 96 10.524 3.009 -3.920 1.00 0.00 C ATOM 1588 CE1 PHE B 96 10.253 5.177 -5.599 1.00 0.00 C ATOM 1589 CE2 PHE B 96 9.858 2.869 -5.120 1.00 0.00 C ATOM 1590 CZ PHE B 96 9.722 3.952 -5.962 1.00 0.00 C ATOM 0 H PHE B 96 12.614 5.865 -0.236 1.00 0.00 H new ATOM 0 HA PHE B 96 10.070 5.361 -1.567 1.00 0.00 H new ATOM 0 HB2 PHE B 96 12.658 4.996 -2.360 1.00 0.00 H new ATOM 0 HB3 PHE B 96 12.170 3.367 -1.938 1.00 0.00 H new ATOM 0 HD1 PHE B 96 11.333 6.269 -4.114 1.00 0.00 H new ATOM 0 HD2 PHE B 96 10.627 2.155 -3.267 1.00 0.00 H new ATOM 0 HE1 PHE B 96 10.147 6.028 -6.256 1.00 0.00 H new ATOM 0 HE2 PHE B 96 9.443 1.912 -5.400 1.00 0.00 H new ATOM 0 HZ PHE B 96 9.202 3.845 -6.903 1.00 0.00 H new ATOM 1600 N TRP B 97 11.593 3.229 0.402 1.00 0.00 N ATOM 1601 CA TRP B 97 11.563 2.169 1.358 1.00 0.00 C ATOM 1602 C TRP B 97 10.698 2.658 2.519 1.00 0.00 C ATOM 1603 O TRP B 97 9.974 1.902 3.114 1.00 0.00 O ATOM 1604 CB TRP B 97 13.041 1.804 1.692 1.00 0.00 C ATOM 1605 CG TRP B 97 13.307 0.638 2.630 1.00 0.00 C ATOM 1606 CD1 TRP B 97 14.041 -0.449 2.294 1.00 0.00 C ATOM 1607 CD2 TRP B 97 12.937 0.437 4.027 1.00 0.00 C ATOM 1608 NE1 TRP B 97 14.136 -1.318 3.348 1.00 0.00 N ATOM 1609 CE2 TRP B 97 13.472 -0.810 4.413 1.00 0.00 C ATOM 1610 CE3 TRP B 97 12.209 1.154 4.987 1.00 0.00 C ATOM 1611 CZ2 TRP B 97 13.313 -1.344 5.686 1.00 0.00 C ATOM 1612 CZ3 TRP B 97 12.058 0.618 6.257 1.00 0.00 C ATOM 1613 CH2 TRP B 97 12.605 -0.619 6.593 1.00 0.00 C ATOM 0 H TRP B 97 12.543 3.533 0.187 1.00 0.00 H new ATOM 0 HA TRP B 97 11.110 1.238 1.016 1.00 0.00 H new ATOM 0 HB2 TRP B 97 13.551 1.596 0.752 1.00 0.00 H new ATOM 0 HB3 TRP B 97 13.512 2.688 2.121 1.00 0.00 H new ATOM 0 HD1 TRP B 97 14.491 -0.609 1.325 1.00 0.00 H new ATOM 0 HE1 TRP B 97 14.630 -2.210 3.333 1.00 0.00 H new ATOM 0 HE3 TRP B 97 11.772 2.110 4.741 1.00 0.00 H new ATOM 0 HZ2 TRP B 97 13.737 -2.302 5.946 1.00 0.00 H new ATOM 0 HZ3 TRP B 97 11.505 1.171 7.002 1.00 0.00 H new ATOM 0 HH2 TRP B 97 12.464 -1.008 7.590 1.00 0.00 H new ATOM 1624 N GLY B 98 10.802 3.956 2.820 1.00 0.00 N ATOM 1625 CA GLY B 98 10.024 4.575 3.881 1.00 0.00 C ATOM 1626 C GLY B 98 8.511 4.550 3.673 1.00 0.00 C ATOM 1627 O GLY B 98 7.865 3.585 4.071 1.00 0.00 O ATOM 0 H GLY B 98 11.427 4.599 2.334 1.00 0.00 H new ATOM 0 HA2 GLY B 98 10.255 4.072 4.820 1.00 0.00 H new ATOM 0 HA3 GLY B 98 10.344 5.612 3.988 1.00 0.00 H new ATOM 1631 N GLN B 99 7.964 5.603 3.017 1.00 0.00 N ATOM 1632 CA GLN B 99 6.495 5.777 2.781 1.00 0.00 C ATOM 1633 C GLN B 99 5.601 4.658 3.395 1.00 0.00 C ATOM 1634 O GLN B 99 5.007 3.840 2.684 1.00 0.00 O ATOM 1635 CB GLN B 99 6.217 5.941 1.278 1.00 0.00 C ATOM 1636 CG GLN B 99 6.632 7.295 0.709 1.00 0.00 C ATOM 1637 CD GLN B 99 5.629 8.396 1.006 1.00 0.00 C ATOM 1638 OE1 GLN B 99 4.701 8.632 0.233 1.00 0.00 O ATOM 1639 NE2 GLN B 99 5.814 9.077 2.131 1.00 0.00 N ATOM 0 H GLN B 99 8.525 6.363 2.632 1.00 0.00 H new ATOM 0 HA GLN B 99 6.213 6.685 3.313 1.00 0.00 H new ATOM 0 HB2 GLN B 99 6.742 5.155 0.735 1.00 0.00 H new ATOM 0 HB3 GLN B 99 5.152 5.795 1.099 1.00 0.00 H new ATOM 0 HG2 GLN B 99 7.602 7.574 1.121 1.00 0.00 H new ATOM 0 HG3 GLN B 99 6.757 7.207 -0.370 1.00 0.00 H new ATOM 0 HE21 GLN B 99 6.597 8.848 2.743 1.00 0.00 H new ATOM 0 HE22 GLN B 99 5.173 9.829 2.383 1.00 0.00 H new ATOM 1648 N ASP B 100 5.521 4.663 4.746 1.00 0.00 N ATOM 1649 CA ASP B 100 4.743 3.694 5.569 1.00 0.00 C ATOM 1650 C ASP B 100 4.864 2.218 5.099 1.00 0.00 C ATOM 1651 O ASP B 100 5.894 1.585 5.335 1.00 0.00 O ATOM 1652 CB ASP B 100 3.276 4.146 5.686 1.00 0.00 C ATOM 1653 CG ASP B 100 3.139 5.417 6.507 1.00 0.00 C ATOM 1654 OD1 ASP B 100 3.080 5.319 7.751 1.00 0.00 O1- ATOM 1655 OD2 ASP B 100 3.107 6.512 5.905 1.00 0.00 O ATOM 0 H ASP B 100 6.007 5.358 5.313 1.00 0.00 H new ATOM 0 HA ASP B 100 5.193 3.702 6.562 1.00 0.00 H new ATOM 0 HB2 ASP B 100 2.866 4.312 4.690 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.687 3.352 6.145 1.00 0.00 H new ATOM 1660 N HIS B 101 3.812 1.686 4.443 1.00 0.00 N ATOM 1661 CA HIS B 101 3.775 0.293 3.928 1.00 0.00 C ATOM 1662 C HIS B 101 4.963 -0.030 3.018 1.00 0.00 C ATOM 1663 O HIS B 101 5.490 -1.146 3.021 1.00 0.00 O ATOM 1664 CB HIS B 101 2.457 0.008 3.212 1.00 0.00 C ATOM 1665 CG HIS B 101 1.765 -1.194 3.770 1.00 0.00 C ATOM 1666 ND1 HIS B 101 1.678 -2.395 3.099 1.00 0.00 N ATOM 1667 CD2 HIS B 101 1.164 -1.388 4.968 1.00 0.00 C ATOM 1668 CE1 HIS B 101 1.057 -3.275 3.862 1.00 0.00 C ATOM 1669 NE2 HIS B 101 0.738 -2.687 5.000 1.00 0.00 N ATOM 0 H HIS B 101 2.958 2.210 4.252 1.00 0.00 H new ATOM 0 HA HIS B 101 3.851 -0.361 4.796 1.00 0.00 H new ATOM 0 HB2 HIS B 101 1.803 0.876 3.298 1.00 0.00 H new ATOM 0 HB3 HIS B 101 2.647 -0.144 2.149 1.00 0.00 H new ATOM 0 HD2 HIS B 101 1.044 -0.654 5.751 1.00 0.00 H new ATOM 0 HE1 HIS B 101 0.846 -4.301 3.600 1.00 0.00 H new ATOM 0 HE2 HIS B 101 0.251 -3.131 5.779 1.00 0.00 H new ATOM 1678 N LYS B 102 5.350 0.980 2.247 1.00 0.00 N ATOM 1679 CA LYS B 102 6.456 0.947 1.278 1.00 0.00 C ATOM 1680 C LYS B 102 7.764 0.330 1.832 1.00 0.00 C ATOM 1681 O LYS B 102 8.524 -0.273 1.084 1.00 0.00 O ATOM 1682 CB LYS B 102 6.731 2.350 0.735 1.00 0.00 C ATOM 1683 CG LYS B 102 5.626 2.883 -0.175 1.00 0.00 C ATOM 1684 CD LYS B 102 6.186 3.537 -1.431 1.00 0.00 C ATOM 1685 CE LYS B 102 5.165 4.465 -2.068 1.00 0.00 C ATOM 1686 NZ LYS B 102 5.635 5.006 -3.373 1.00 0.00 N1+ ATOM 0 H LYS B 102 4.885 1.887 2.276 1.00 0.00 H new ATOM 0 HA LYS B 102 6.125 0.289 0.474 1.00 0.00 H new ATOM 0 HB2 LYS B 102 6.862 3.035 1.573 1.00 0.00 H new ATOM 0 HB3 LYS B 102 7.671 2.339 0.183 1.00 0.00 H new ATOM 0 HG2 LYS B 102 4.963 2.065 -0.457 1.00 0.00 H new ATOM 0 HG3 LYS B 102 5.023 3.607 0.373 1.00 0.00 H new ATOM 0 HD2 LYS B 102 7.086 4.099 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS B 102 6.478 2.768 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS B 102 4.229 3.926 -2.216 1.00 0.00 H new ATOM 0 HE3 LYS B 102 4.954 5.291 -1.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 4.907 5.633 -3.771 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 6.514 5.543 -3.230 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 5.812 4.220 -4.031 1.00 0.00 H new ATOM 1700 N VAL B 103 7.988 0.488 3.145 1.00 0.00 N ATOM 1701 CA VAL B 103 9.238 0.097 3.867 1.00 0.00 C ATOM 1702 C VAL B 103 9.767 -1.284 3.473 1.00 0.00 C ATOM 1703 O VAL B 103 10.898 -1.399 3.012 1.00 0.00 O ATOM 1704 CB VAL B 103 9.031 0.157 5.428 1.00 0.00 C ATOM 1705 CG1 VAL B 103 8.875 1.589 5.915 1.00 0.00 C ATOM 1706 CG2 VAL B 103 7.832 -0.673 5.911 1.00 0.00 C ATOM 0 H VAL B 103 7.292 0.903 3.765 1.00 0.00 H new ATOM 0 HA VAL B 103 9.990 0.826 3.564 1.00 0.00 H new ATOM 0 HB VAL B 103 9.934 -0.279 5.855 1.00 0.00 H new ATOM 0 HG11 VAL B 103 8.734 1.592 6.996 1.00 0.00 H new ATOM 0 HG12 VAL B 103 9.770 2.158 5.664 1.00 0.00 H new ATOM 0 HG13 VAL B 103 8.009 2.044 5.435 1.00 0.00 H new ATOM 0 HG21 VAL B 103 7.744 -0.589 6.994 1.00 0.00 H new ATOM 0 HG22 VAL B 103 6.920 -0.301 5.443 1.00 0.00 H new ATOM 0 HG23 VAL B 103 7.979 -1.718 5.638 1.00 0.00 H new ATOM 1716 N ASP B 104 9.006 -2.306 3.735 1.00 0.00 N ATOM 1717 CA ASP B 104 9.320 -3.656 3.311 1.00 0.00 C ATOM 1718 C ASP B 104 9.020 -3.852 1.815 1.00 0.00 C ATOM 1719 O ASP B 104 9.621 -4.691 1.141 1.00 0.00 O ATOM 1720 CB ASP B 104 8.747 -4.737 4.221 1.00 0.00 C ATOM 1721 CG ASP B 104 7.236 -4.663 4.416 1.00 0.00 C ATOM 1722 OD1 ASP B 104 6.781 -3.809 5.204 1.00 0.00 O ATOM 1723 OD2 ASP B 104 6.512 -5.462 3.781 1.00 0.00 O1- ATOM 0 H ASP B 104 8.133 -2.233 4.258 1.00 0.00 H new ATOM 0 HA ASP B 104 10.396 -3.786 3.425 1.00 0.00 H new ATOM 0 HB2 ASP B 104 9.000 -5.714 3.808 1.00 0.00 H new ATOM 0 HB3 ASP B 104 9.230 -4.668 5.196 1.00 0.00 H new ATOM 1728 N PHE B 105 8.037 -3.060 1.341 1.00 0.00 N ATOM 1729 CA PHE B 105 7.444 -3.183 -0.001 1.00 0.00 C ATOM 1730 C PHE B 105 8.475 -3.230 -1.094 1.00 0.00 C ATOM 1731 O PHE B 105 8.283 -3.980 -2.056 1.00 0.00 O ATOM 1732 CB PHE B 105 6.424 -2.044 -0.304 1.00 0.00 C ATOM 1733 CG PHE B 105 6.731 -1.290 -1.615 1.00 0.00 C ATOM 1734 CD1 PHE B 105 6.244 -1.751 -2.841 1.00 0.00 C ATOM 1735 CD2 PHE B 105 7.542 -0.154 -1.625 1.00 0.00 C ATOM 1736 CE1 PHE B 105 6.551 -1.096 -4.023 1.00 0.00 C ATOM 1737 CE2 PHE B 105 7.850 0.497 -2.807 1.00 0.00 C ATOM 1738 CZ PHE B 105 7.353 0.027 -4.005 1.00 0.00 C ATOM 0 H PHE B 105 7.628 -2.305 1.891 1.00 0.00 H new ATOM 0 HA PHE B 105 6.915 -4.136 0.011 1.00 0.00 H new ATOM 0 HB2 PHE B 105 5.422 -2.468 -0.362 1.00 0.00 H new ATOM 0 HB3 PHE B 105 6.423 -1.335 0.524 1.00 0.00 H new ATOM 0 HD1 PHE B 105 5.619 -2.631 -2.868 1.00 0.00 H new ATOM 0 HD2 PHE B 105 7.936 0.224 -0.693 1.00 0.00 H new ATOM 0 HE1 PHE B 105 6.162 -1.465 -4.960 1.00 0.00 H new ATOM 0 HE2 PHE B 105 8.480 1.374 -2.791 1.00 0.00 H new ATOM 0 HZ PHE B 105 7.591 0.537 -4.927 1.00 0.00 H new ATOM 1748 N ILE B 106 9.551 -2.427 -0.991 1.00 0.00 N ATOM 1749 CA ILE B 106 10.524 -2.451 -2.091 1.00 0.00 C ATOM 1750 C ILE B 106 10.866 -3.896 -2.493 1.00 0.00 C ATOM 1751 O ILE B 106 10.486 -4.305 -3.592 1.00 0.00 O ATOM 1752 CB ILE B 106 11.880 -1.638 -1.931 1.00 0.00 C ATOM 1753 CG1 ILE B 106 12.252 -1.091 -0.536 1.00 0.00 C ATOM 1754 CG2 ILE B 106 11.857 -0.444 -2.872 1.00 0.00 C ATOM 1755 CD1 ILE B 106 11.151 -1.039 0.481 1.00 0.00 C ATOM 0 H ILE B 106 9.759 -1.797 -0.216 1.00 0.00 H new ATOM 0 HA ILE B 106 9.980 -1.910 -2.865 1.00 0.00 H new ATOM 0 HB ILE B 106 12.634 -2.393 -2.152 1.00 0.00 H new ATOM 0 HG12 ILE B 106 13.058 -1.704 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE B 106 12.649 -0.083 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE B 106 12.784 0.119 -2.768 1.00 0.00 H new ATOM 0 HG22 ILE B 106 11.757 -0.793 -3.900 1.00 0.00 H new ATOM 0 HG23 ILE B 106 11.012 0.199 -2.624 1.00 0.00 H new ATOM 0 HD11 ILE B 106 11.539 -0.637 1.417 1.00 0.00 H new ATOM 0 HD12 ILE B 106 10.348 -0.398 0.116 1.00 0.00 H new ATOM 0 HD13 ILE B 106 10.764 -2.044 0.650 1.00 0.00 H new ATOM 1767 N LEU B 107 11.453 -4.707 -1.612 1.00 0.00 N ATOM 1768 CA LEU B 107 11.811 -6.093 -1.982 1.00 0.00 C ATOM 1769 C LEU B 107 10.572 -6.921 -2.387 1.00 0.00 C ATOM 1770 O LEU B 107 10.595 -7.600 -3.416 1.00 0.00 O ATOM 1771 CB LEU B 107 12.647 -6.747 -0.840 1.00 0.00 C ATOM 1772 CG LEU B 107 12.742 -8.306 -0.722 1.00 0.00 C ATOM 1773 CD1 LEU B 107 11.487 -8.898 -0.089 1.00 0.00 C ATOM 1774 CD2 LEU B 107 13.036 -8.987 -2.058 1.00 0.00 C ATOM 0 H LEU B 107 11.690 -4.444 -0.655 1.00 0.00 H new ATOM 0 HA LEU B 107 12.439 -6.070 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU B 107 13.665 -6.368 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU B 107 12.249 -6.376 0.104 1.00 0.00 H new ATOM 0 HG LEU B 107 13.590 -8.504 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU B 107 11.589 -9.981 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU B 107 11.354 -8.485 0.911 1.00 0.00 H new ATOM 0 HD13 LEU B 107 10.620 -8.652 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU B 107 13.090 -10.066 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU B 107 12.241 -8.756 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU B 107 13.987 -8.626 -2.449 1.00 0.00 H new ATOM 1786 N GLN B 108 9.500 -6.847 -1.578 1.00 0.00 N ATOM 1787 CA GLN B 108 8.232 -7.577 -1.824 1.00 0.00 C ATOM 1788 C GLN B 108 8.442 -9.099 -1.992 1.00 0.00 C ATOM 1789 O GLN B 108 8.341 -9.839 -1.008 1.00 0.00 O ATOM 1790 CB GLN B 108 7.463 -6.990 -3.026 1.00 0.00 C ATOM 1791 CG GLN B 108 6.265 -6.142 -2.627 1.00 0.00 C ATOM 1792 CD GLN B 108 5.554 -5.536 -3.821 1.00 0.00 C ATOM 1793 OE1 GLN B 108 5.890 -4.439 -4.268 1.00 0.00 O ATOM 1794 NE2 GLN B 108 4.563 -6.249 -4.344 1.00 0.00 N ATOM 0 H GLN B 108 9.483 -6.279 -0.731 1.00 0.00 H new ATOM 0 HA GLN B 108 7.623 -7.438 -0.931 1.00 0.00 H new ATOM 0 HB2 GLN B 108 8.145 -6.383 -3.622 1.00 0.00 H new ATOM 0 HB3 GLN B 108 7.124 -7.807 -3.663 1.00 0.00 H new ATOM 0 HG2 GLN B 108 5.562 -6.756 -2.064 1.00 0.00 H new ATOM 0 HG3 GLN B 108 6.595 -5.344 -1.962 1.00 0.00 H new ATOM 0 HE21 GLN B 108 4.318 -7.154 -3.942 1.00 0.00 H new ATOM 0 HE22 GLN B 108 4.047 -5.892 -5.148 1.00 0.00 H new ATOM 1803 N ARG B 109 8.735 -9.564 -3.230 1.00 0.00 N ATOM 1804 CA ARG B 109 8.936 -11.000 -3.493 1.00 0.00 C ATOM 1805 C ARG B 109 9.888 -11.276 -4.666 1.00 0.00 C ATOM 1806 O ARG B 109 10.777 -12.125 -4.545 1.00 0.00 O ATOM 1807 CB ARG B 109 7.587 -11.696 -3.769 1.00 0.00 C ATOM 1808 CG ARG B 109 6.767 -11.998 -2.516 1.00 0.00 C ATOM 1809 CD ARG B 109 7.183 -13.312 -1.867 1.00 0.00 C ATOM 1810 NE ARG B 109 6.395 -13.608 -0.665 1.00 0.00 N ATOM 1811 CZ ARG B 109 6.530 -14.711 0.085 1.00 0.00 C ATOM 1812 NH1 ARG B 109 7.426 -15.649 -0.223 1.00 0.00 N1+ ATOM 1813 NH2 ARG B 109 5.762 -14.875 1.153 1.00 0.00 N ATOM 0 H ARG B 109 8.836 -8.968 -4.052 1.00 0.00 H new ATOM 0 HA ARG B 109 9.397 -11.405 -2.592 1.00 0.00 H new ATOM 0 HB2 ARG B 109 6.995 -11.066 -4.433 1.00 0.00 H new ATOM 0 HB3 ARG B 109 7.775 -12.629 -4.300 1.00 0.00 H new ATOM 0 HG2 ARG B 109 6.887 -11.185 -1.799 1.00 0.00 H new ATOM 0 HG3 ARG B 109 5.709 -12.041 -2.776 1.00 0.00 H new ATOM 0 HD2 ARG B 109 7.066 -14.123 -2.585 1.00 0.00 H new ATOM 0 HD3 ARG B 109 8.240 -13.268 -1.605 1.00 0.00 H new ATOM 0 HE ARG B 109 5.694 -12.925 -0.379 1.00 0.00 H new ATOM 0 HH11 ARG B 109 8.024 -15.534 -1.042 1.00 0.00 H new ATOM 0 HH12 ARG B 109 7.514 -16.481 0.360 1.00 0.00 H new ATOM 0 HH21 ARG B 109 5.073 -14.164 1.400 1.00 0.00 H new ATOM 0 HH22 ARG B 109 5.860 -15.712 1.728 1.00 0.00 H new ATOM 1827 N GLU B 110 9.710 -10.566 -5.793 1.00 0.00 N ATOM 1828 CA GLU B 110 10.538 -10.800 -6.990 1.00 0.00 C ATOM 1829 C GLU B 110 11.435 -9.609 -7.403 1.00 0.00 C ATOM 1830 O GLU B 110 12.617 -9.841 -7.671 1.00 0.00 O ATOM 1831 CB GLU B 110 9.649 -11.221 -8.171 1.00 0.00 C ATOM 1832 CG GLU B 110 9.239 -12.692 -8.155 1.00 0.00 C ATOM 1833 CD GLU B 110 8.130 -12.992 -7.160 1.00 0.00 C ATOM 1834 OE1 GLU B 110 6.959 -12.683 -7.466 1.00 0.00 O1- ATOM 1835 OE2 GLU B 110 8.434 -13.534 -6.077 1.00 0.00 O ATOM 0 H GLU B 110 9.009 -9.833 -5.901 1.00 0.00 H new ATOM 0 HA GLU B 110 11.224 -11.602 -6.717 1.00 0.00 H new ATOM 0 HB2 GLU B 110 8.750 -10.605 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU B 110 10.178 -11.013 -9.101 1.00 0.00 H new ATOM 0 HG2 GLU B 110 8.911 -12.982 -9.153 1.00 0.00 H new ATOM 0 HG3 GLU B 110 10.109 -13.303 -7.915 1.00 0.00 H new ATOM 1842 N PRO B 111 10.924 -8.325 -7.484 1.00 0.00 N ATOM 1843 CA PRO B 111 11.744 -7.147 -7.903 1.00 0.00 C ATOM 1844 C PRO B 111 13.154 -7.097 -7.283 1.00 0.00 C ATOM 1845 O PRO B 111 13.306 -7.030 -6.060 1.00 0.00 O ATOM 1846 CB PRO B 111 10.900 -5.967 -7.425 1.00 0.00 C ATOM 1847 CG PRO B 111 9.500 -6.442 -7.555 1.00 0.00 C ATOM 1848 CD PRO B 111 9.524 -7.903 -7.190 1.00 0.00 C ATOM 0 HA PRO B 111 11.944 -7.165 -8.974 1.00 0.00 H new ATOM 0 HB2 PRO B 111 11.136 -5.701 -6.395 1.00 0.00 H new ATOM 0 HB3 PRO B 111 11.077 -5.079 -8.032 1.00 0.00 H new ATOM 0 HG2 PRO B 111 8.836 -5.885 -6.894 1.00 0.00 H new ATOM 0 HG3 PRO B 111 9.132 -6.299 -8.571 1.00 0.00 H new ATOM 0 HD2 PRO B 111 9.273 -8.056 -6.140 1.00 0.00 H new ATOM 0 HD3 PRO B 111 8.804 -8.473 -7.777 1.00 0.00 H new ATOM 1856 N TYR B 112 14.176 -7.143 -8.160 1.00 0.00 N ATOM 1857 CA TYR B 112 15.598 -7.132 -7.753 1.00 0.00 C ATOM 1858 C TYR B 112 16.077 -5.757 -7.248 1.00 0.00 C ATOM 1859 O TYR B 112 16.778 -5.673 -6.233 1.00 0.00 O ATOM 1860 CB TYR B 112 16.491 -7.624 -8.912 1.00 0.00 C ATOM 1861 CG TYR B 112 16.430 -6.780 -10.177 1.00 0.00 C ATOM 1862 CD1 TYR B 112 15.425 -6.966 -11.117 1.00 0.00 C ATOM 1863 CD2 TYR B 112 17.384 -5.800 -10.422 1.00 0.00 C ATOM 1864 CE1 TYR B 112 15.373 -6.200 -12.266 1.00 0.00 C ATOM 1865 CE2 TYR B 112 17.339 -5.030 -11.568 1.00 0.00 C ATOM 1866 CZ TYR B 112 16.331 -5.234 -12.487 1.00 0.00 C ATOM 1867 OH TYR B 112 16.282 -4.469 -13.630 1.00 0.00 O ATOM 0 H TYR B 112 14.041 -7.189 -9.170 1.00 0.00 H new ATOM 0 HA TYR B 112 15.685 -7.816 -6.909 1.00 0.00 H new ATOM 0 HB2 TYR B 112 17.524 -7.657 -8.565 1.00 0.00 H new ATOM 0 HB3 TYR B 112 16.206 -8.646 -9.162 1.00 0.00 H new ATOM 0 HD1 TYR B 112 14.672 -7.721 -10.947 1.00 0.00 H new ATOM 0 HD2 TYR B 112 18.174 -5.637 -9.704 1.00 0.00 H new ATOM 0 HE1 TYR B 112 14.585 -6.358 -12.988 1.00 0.00 H new ATOM 0 HE2 TYR B 112 18.089 -4.273 -11.743 1.00 0.00 H new ATOM 0 HH TYR B 112 17.029 -3.835 -13.631 1.00 0.00 H new ATOM 1877 N CYS B 113 15.703 -4.689 -7.968 1.00 0.00 N ATOM 1878 CA CYS B 113 16.094 -3.312 -7.607 1.00 0.00 C ATOM 1879 C CYS B 113 15.573 -2.923 -6.219 1.00 0.00 C ATOM 1880 O CYS B 113 16.294 -2.326 -5.407 1.00 0.00 O ATOM 1881 CB CYS B 113 15.569 -2.325 -8.652 1.00 0.00 C ATOM 1882 SG CYS B 113 13.776 -2.375 -8.881 1.00 0.00 S ATOM 0 H CYS B 113 15.128 -4.750 -8.808 1.00 0.00 H new ATOM 0 HA CYS B 113 17.183 -3.273 -7.582 1.00 0.00 H new ATOM 0 HB2 CYS B 113 15.859 -1.316 -8.360 1.00 0.00 H new ATOM 0 HB3 CYS B 113 16.052 -2.532 -9.607 1.00 0.00 H new ATOM 0 HG CYS B 113 13.429 -1.504 -9.782 1.00 0.00 H new ATOM 1888 N ARG B 114 14.324 -3.317 -5.952 1.00 0.00 N ATOM 1889 CA ARG B 114 13.641 -3.048 -4.703 1.00 0.00 C ATOM 1890 C ARG B 114 14.239 -3.955 -3.624 1.00 0.00 C ATOM 1891 O ARG B 114 14.399 -3.561 -2.466 1.00 0.00 O ATOM 1892 CB ARG B 114 12.126 -3.215 -4.891 1.00 0.00 C ATOM 1893 CG ARG B 114 11.531 -2.340 -6.001 1.00 0.00 C ATOM 1894 CD ARG B 114 10.017 -2.179 -5.874 1.00 0.00 C ATOM 1895 NE ARG B 114 9.485 -1.195 -6.829 1.00 0.00 N ATOM 1896 CZ ARG B 114 8.622 -1.477 -7.817 1.00 0.00 C ATOM 1897 NH1 ARG B 114 8.171 -2.717 -8.010 1.00 0.00 N1+ ATOM 1898 NH2 ARG B 114 8.203 -0.505 -8.615 1.00 0.00 N ATOM 0 H ARG B 114 13.756 -3.842 -6.618 1.00 0.00 H new ATOM 0 HA ARG B 114 13.786 -2.018 -4.378 1.00 0.00 H new ATOM 0 HB2 ARG B 114 11.912 -4.260 -5.113 1.00 0.00 H new ATOM 0 HB3 ARG B 114 11.626 -2.980 -3.951 1.00 0.00 H new ATOM 0 HG2 ARG B 114 12.001 -1.357 -5.975 1.00 0.00 H new ATOM 0 HG3 ARG B 114 11.766 -2.780 -6.970 1.00 0.00 H new ATOM 0 HD2 ARG B 114 9.535 -3.142 -6.040 1.00 0.00 H new ATOM 0 HD3 ARG B 114 9.769 -1.869 -4.859 1.00 0.00 H new ATOM 0 HE ARG B 114 9.795 -0.228 -6.733 1.00 0.00 H new ATOM 0 HH11 ARG B 114 8.482 -3.473 -7.400 1.00 0.00 H new ATOM 0 HH12 ARG B 114 7.515 -2.909 -8.767 1.00 0.00 H new ATOM 0 HH21 ARG B 114 8.537 0.449 -8.476 1.00 0.00 H new ATOM 0 HH22 ARG B 114 7.547 -0.711 -9.368 1.00 0.00 H new ATOM 1912 N ASP B 115 14.551 -5.190 -4.061 1.00 0.00 N ATOM 1913 CA ASP B 115 15.211 -6.230 -3.252 1.00 0.00 C ATOM 1914 C ASP B 115 16.472 -5.673 -2.573 1.00 0.00 C ATOM 1915 O ASP B 115 16.765 -5.992 -1.431 1.00 0.00 O ATOM 1916 CB ASP B 115 15.588 -7.421 -4.160 1.00 0.00 C ATOM 1917 CG ASP B 115 16.100 -8.650 -3.413 1.00 0.00 C ATOM 1918 OD1 ASP B 115 17.096 -8.526 -2.669 1.00 0.00 O1- ATOM 1919 OD2 ASP B 115 15.511 -9.737 -3.587 1.00 0.00 O ATOM 0 H ASP B 115 14.345 -5.499 -5.011 1.00 0.00 H new ATOM 0 HA ASP B 115 14.522 -6.562 -2.475 1.00 0.00 H new ATOM 0 HB2 ASP B 115 14.714 -7.706 -4.746 1.00 0.00 H new ATOM 0 HB3 ASP B 115 16.353 -7.096 -4.866 1.00 0.00 H new ATOM 1924 N ILE B 116 17.191 -4.807 -3.288 1.00 0.00 N ATOM 1925 CA ILE B 116 18.457 -4.264 -2.788 1.00 0.00 C ATOM 1926 C ILE B 116 18.129 -3.261 -1.704 1.00 0.00 C ATOM 1927 O ILE B 116 18.766 -3.210 -0.653 1.00 0.00 O ATOM 1928 CB ILE B 116 19.318 -3.597 -3.911 1.00 0.00 C ATOM 1929 CG1 ILE B 116 19.426 -4.525 -5.140 1.00 0.00 C ATOM 1930 CG2 ILE B 116 20.719 -3.253 -3.385 1.00 0.00 C ATOM 1931 CD1 ILE B 116 19.705 -3.805 -6.449 1.00 0.00 C ATOM 0 H ILE B 116 16.921 -4.467 -4.211 1.00 0.00 H new ATOM 0 HA ILE B 116 19.061 -5.083 -2.398 1.00 0.00 H new ATOM 0 HB ILE B 116 18.822 -2.675 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE B 116 20.219 -5.251 -4.963 1.00 0.00 H new ATOM 0 HG13 ILE B 116 18.497 -5.086 -5.239 1.00 0.00 H new ATOM 0 HG21 ILE B 116 21.303 -2.790 -4.181 1.00 0.00 H new ATOM 0 HG22 ILE B 116 20.633 -2.560 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE B 116 21.217 -4.164 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE B 116 19.765 -4.532 -7.259 1.00 0.00 H new ATOM 0 HD12 ILE B 116 18.901 -3.099 -6.654 1.00 0.00 H new ATOM 0 HD13 ILE B 116 20.650 -3.267 -6.374 1.00 0.00 H new ATOM 1943 N ASN B 117 17.084 -2.494 -1.989 1.00 0.00 N ATOM 1944 CA ASN B 117 16.598 -1.462 -1.097 1.00 0.00 C ATOM 1945 C ASN B 117 16.105 -2.037 0.254 1.00 0.00 C ATOM 1946 O ASN B 117 16.699 -1.754 1.298 1.00 0.00 O ATOM 1947 CB ASN B 117 15.443 -0.732 -1.801 1.00 0.00 C ATOM 1948 CG ASN B 117 15.688 -0.375 -3.275 1.00 0.00 C ATOM 1949 OD1 ASN B 117 14.747 -0.330 -4.065 1.00 0.00 O ATOM 1950 ND2 ASN B 117 16.937 -0.116 -3.653 1.00 0.00 N ATOM 0 H ASN B 117 16.549 -2.575 -2.854 1.00 0.00 H new ATOM 0 HA ASN B 117 17.419 -0.781 -0.871 1.00 0.00 H new ATOM 0 HB2 ASN B 117 14.551 -1.355 -1.740 1.00 0.00 H new ATOM 0 HB3 ASN B 117 15.229 0.186 -1.254 1.00 0.00 H new ATOM 0 HD21 ASN B 117 17.136 0.129 -4.623 1.00 0.00 H new ATOM 0 HD22 ASN B 117 17.696 -0.162 -2.973 1.00 0.00 H new ATOM 1957 N GLN B 118 15.020 -2.842 0.221 1.00 0.00 N ATOM 1958 CA GLN B 118 14.445 -3.456 1.432 1.00 0.00 C ATOM 1959 C GLN B 118 15.222 -4.653 1.957 1.00 0.00 C ATOM 1960 O GLN B 118 15.601 -4.682 3.129 1.00 0.00 O ATOM 1961 CB GLN B 118 12.955 -3.779 1.228 1.00 0.00 C ATOM 1962 CG GLN B 118 12.394 -4.955 2.033 1.00 0.00 C ATOM 1963 CD GLN B 118 12.203 -4.647 3.503 1.00 0.00 C ATOM 1964 OE1 GLN B 118 12.192 -3.488 3.926 1.00 0.00 O ATOM 1965 NE2 GLN B 118 12.020 -5.690 4.296 1.00 0.00 N ATOM 0 H GLN B 118 14.525 -3.081 -0.638 1.00 0.00 H new ATOM 0 HA GLN B 118 14.532 -2.706 2.218 1.00 0.00 H new ATOM 0 HB2 GLN B 118 12.376 -2.889 1.475 1.00 0.00 H new ATOM 0 HB3 GLN B 118 12.792 -3.981 0.169 1.00 0.00 H new ATOM 0 HG2 GLN B 118 11.437 -5.253 1.606 1.00 0.00 H new ATOM 0 HG3 GLN B 118 13.067 -5.807 1.933 1.00 0.00 H new ATOM 0 HE21 GLN B 118 12.036 -6.634 3.909 1.00 0.00 H new ATOM 0 HE22 GLN B 118 11.863 -5.550 5.294 1.00 0.00 H new ATOM 1974 N LEU B 119 15.432 -5.642 1.084 1.00 0.00 N ATOM 1975 CA LEU B 119 16.116 -6.883 1.446 1.00 0.00 C ATOM 1976 C LEU B 119 17.448 -6.607 2.142 1.00 0.00 C ATOM 1977 O LEU B 119 17.723 -7.193 3.190 1.00 0.00 O ATOM 1978 CB LEU B 119 16.303 -7.740 0.181 1.00 0.00 C ATOM 1979 CG LEU B 119 16.603 -9.258 0.352 1.00 0.00 C ATOM 1980 CD1 LEU B 119 18.094 -9.495 0.551 1.00 0.00 C ATOM 1981 CD2 LEU B 119 15.815 -9.891 1.503 1.00 0.00 C ATOM 0 H LEU B 119 15.133 -5.604 0.110 1.00 0.00 H new ATOM 0 HA LEU B 119 15.504 -7.433 2.161 1.00 0.00 H new ATOM 0 HB2 LEU B 119 15.399 -7.646 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU B 119 17.117 -7.304 -0.398 1.00 0.00 H new ATOM 0 HG LEU B 119 16.279 -9.742 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU B 119 18.280 -10.563 0.668 1.00 0.00 H new ATOM 0 HD12 LEU B 119 18.640 -9.125 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU B 119 18.430 -8.968 1.444 1.00 0.00 H new ATOM 0 HD21 LEU B 119 16.064 -10.950 1.575 1.00 0.00 H new ATOM 0 HD22 LEU B 119 16.073 -9.393 2.438 1.00 0.00 H new ATOM 0 HD23 LEU B 119 14.747 -9.781 1.316 1.00 0.00 H new ATOM 1993 N SER B 120 18.241 -5.674 1.597 1.00 0.00 N ATOM 1994 CA SER B 120 19.524 -5.332 2.204 1.00 0.00 C ATOM 1995 C SER B 120 19.340 -4.535 3.500 1.00 0.00 C ATOM 1996 O SER B 120 19.965 -4.865 4.510 1.00 0.00 O ATOM 1997 CB SER B 120 20.409 -4.556 1.228 1.00 0.00 C ATOM 1998 OG SER B 120 20.672 -5.319 0.062 1.00 0.00 O ATOM 0 H SER B 120 18.017 -5.152 0.750 1.00 0.00 H new ATOM 0 HA SER B 120 20.021 -6.270 2.451 1.00 0.00 H new ATOM 0 HB2 SER B 120 19.920 -3.622 0.953 1.00 0.00 H new ATOM 0 HB3 SER B 120 21.348 -4.293 1.714 1.00 0.00 H new ATOM 0 HG SER B 120 21.238 -4.801 -0.547 1.00 0.00 H new ATOM 2004 N GLU B 121 18.478 -3.492 3.483 1.00 0.00 N ATOM 2005 CA GLU B 121 18.277 -2.671 4.685 1.00 0.00 C ATOM 2006 C GLU B 121 17.443 -3.342 5.781 1.00 0.00 C ATOM 2007 O GLU B 121 17.984 -3.568 6.868 1.00 0.00 O ATOM 2008 CB GLU B 121 17.729 -1.290 4.355 1.00 0.00 C ATOM 2009 CG GLU B 121 18.773 -0.192 4.530 1.00 0.00 C ATOM 2010 CD GLU B 121 19.214 0.034 5.972 1.00 0.00 C ATOM 2011 OE1 GLU B 121 19.750 -0.911 6.590 1.00 0.00 O1- ATOM 2012 OE2 GLU B 121 19.032 1.161 6.477 1.00 0.00 O ATOM 0 H GLU B 121 17.928 -3.210 2.672 1.00 0.00 H new ATOM 0 HA GLU B 121 19.278 -2.555 5.101 1.00 0.00 H new ATOM 0 HB2 GLU B 121 17.367 -1.282 3.327 1.00 0.00 H new ATOM 0 HB3 GLU B 121 16.873 -1.079 4.996 1.00 0.00 H new ATOM 0 HG2 GLU B 121 19.648 -0.441 3.930 1.00 0.00 H new ATOM 0 HG3 GLU B 121 18.371 0.741 4.135 1.00 0.00 H new ATOM 2019 N ALA B 122 16.136 -3.655 5.542 1.00 0.00 N ATOM 2020 CA ALA B 122 15.338 -4.326 6.601 1.00 0.00 C ATOM 2021 C ALA B 122 15.988 -5.597 7.195 1.00 0.00 C ATOM 2022 O ALA B 122 15.937 -5.792 8.411 1.00 0.00 O ATOM 2023 CB ALA B 122 13.962 -4.680 6.106 1.00 0.00 C ATOM 0 H ALA B 122 15.638 -3.464 4.673 1.00 0.00 H new ATOM 0 HA ALA B 122 15.286 -3.588 7.402 1.00 0.00 H new ATOM 0 HB1 ALA B 122 13.403 -5.169 6.904 1.00 0.00 H new ATOM 0 HB2 ALA B 122 13.440 -3.773 5.801 1.00 0.00 H new ATOM 0 HB3 ALA B 122 14.044 -5.355 5.254 1.00 0.00 H new ATOM 2029 N LEU B 123 16.599 -6.453 6.348 1.00 0.00 N ATOM 2030 CA LEU B 123 17.212 -7.713 6.825 1.00 0.00 C ATOM 2031 C LEU B 123 18.480 -7.487 7.667 1.00 0.00 C ATOM 2032 O LEU B 123 18.670 -8.157 8.685 1.00 0.00 O ATOM 2033 CB LEU B 123 17.526 -8.640 5.642 1.00 0.00 C ATOM 2034 CG LEU B 123 17.582 -10.143 5.962 1.00 0.00 C ATOM 2035 CD1 LEU B 123 16.195 -10.769 5.886 1.00 0.00 C ATOM 2036 CD2 LEU B 123 18.539 -10.850 5.015 1.00 0.00 C ATOM 0 H LEU B 123 16.681 -6.298 5.343 1.00 0.00 H new ATOM 0 HA LEU B 123 16.477 -8.185 7.477 1.00 0.00 H new ATOM 0 HB2 LEU B 123 16.773 -8.480 4.871 1.00 0.00 H new ATOM 0 HB3 LEU B 123 18.485 -8.343 5.217 1.00 0.00 H new ATOM 0 HG LEU B 123 17.949 -10.261 6.981 1.00 0.00 H new ATOM 0 HD11 LEU B 123 16.263 -11.832 6.116 1.00 0.00 H new ATOM 0 HD12 LEU B 123 15.536 -10.283 6.606 1.00 0.00 H new ATOM 0 HD13 LEU B 123 15.792 -10.640 4.881 1.00 0.00 H new ATOM 0 HD21 LEU B 123 18.568 -11.913 5.254 1.00 0.00 H new ATOM 0 HD22 LEU B 123 18.198 -10.718 3.988 1.00 0.00 H new ATOM 0 HD23 LEU B 123 19.537 -10.426 5.123 1.00 0.00 H new ATOM 2048 N LEU B 124 19.340 -6.547 7.239 1.00 0.00 N ATOM 2049 CA LEU B 124 20.600 -6.249 7.948 1.00 0.00 C ATOM 2050 C LEU B 124 20.374 -5.682 9.357 1.00 0.00 C ATOM 2051 O LEU B 124 21.081 -6.058 10.295 1.00 0.00 O ATOM 2052 CB LEU B 124 21.468 -5.277 7.133 1.00 0.00 C ATOM 2053 CG LEU B 124 22.511 -5.928 6.207 1.00 0.00 C ATOM 2054 CD1 LEU B 124 22.939 -4.951 5.123 1.00 0.00 C ATOM 2055 CD2 LEU B 124 23.732 -6.395 6.997 1.00 0.00 C ATOM 0 H LEU B 124 19.187 -5.979 6.405 1.00 0.00 H new ATOM 0 HA LEU B 124 21.119 -7.201 8.059 1.00 0.00 H new ATOM 0 HB2 LEU B 124 20.811 -4.653 6.527 1.00 0.00 H new ATOM 0 HB3 LEU B 124 21.987 -4.615 7.826 1.00 0.00 H new ATOM 0 HG LEU B 124 22.049 -6.799 5.742 1.00 0.00 H new ATOM 0 HD11 LEU B 124 23.677 -5.426 4.476 1.00 0.00 H new ATOM 0 HD12 LEU B 124 22.071 -4.661 4.531 1.00 0.00 H new ATOM 0 HD13 LEU B 124 23.377 -4.065 5.584 1.00 0.00 H new ATOM 0 HD21 LEU B 124 24.452 -6.851 6.318 1.00 0.00 H new ATOM 0 HD22 LEU B 124 24.192 -5.541 7.494 1.00 0.00 H new ATOM 0 HD23 LEU B 124 23.424 -7.127 7.744 1.00 0.00 H new ATOM 2067 N SER B 125 19.390 -4.782 9.496 1.00 0.00 N ATOM 2068 CA SER B 125 19.075 -4.151 10.787 1.00 0.00 C ATOM 2069 C SER B 125 18.397 -5.122 11.766 1.00 0.00 C ATOM 2070 O SER B 125 18.734 -5.144 12.954 1.00 0.00 O ATOM 2071 CB SER B 125 18.184 -2.927 10.571 1.00 0.00 C ATOM 2072 OG SER B 125 18.832 -1.960 9.761 1.00 0.00 O ATOM 0 H SER B 125 18.796 -4.473 8.727 1.00 0.00 H new ATOM 0 HA SER B 125 20.022 -3.846 11.233 1.00 0.00 H new ATOM 0 HB2 SER B 125 17.249 -3.232 10.101 1.00 0.00 H new ATOM 0 HB3 SER B 125 17.927 -2.486 11.534 1.00 0.00 H new ATOM 0 HG SER B 125 18.518 -1.065 10.006 1.00 0.00 H new ATOM 2078 N LEU B 126 17.442 -5.920 11.258 1.00 0.00 N ATOM 2079 CA LEU B 126 16.701 -6.891 12.078 1.00 0.00 C ATOM 2080 C LEU B 126 17.556 -8.106 12.472 1.00 0.00 C ATOM 2081 O LEU B 126 17.599 -8.478 13.649 1.00 0.00 O ATOM 2082 CB LEU B 126 15.434 -7.356 11.340 1.00 0.00 C ATOM 2083 CG LEU B 126 14.158 -6.549 11.626 1.00 0.00 C ATOM 2084 CD1 LEU B 126 14.117 -5.266 10.804 1.00 0.00 C ATOM 2085 CD2 LEU B 126 12.926 -7.398 11.346 1.00 0.00 C ATOM 0 H LEU B 126 17.165 -5.910 10.276 1.00 0.00 H new ATOM 0 HA LEU B 126 16.422 -6.380 13.000 1.00 0.00 H new ATOM 0 HB2 LEU B 126 15.629 -7.324 10.268 1.00 0.00 H new ATOM 0 HB3 LEU B 126 15.248 -8.398 11.599 1.00 0.00 H new ATOM 0 HG LEU B 126 14.165 -6.270 12.680 1.00 0.00 H new ATOM 0 HD11 LEU B 126 13.202 -4.718 11.030 1.00 0.00 H new ATOM 0 HD12 LEU B 126 14.980 -4.648 11.051 1.00 0.00 H new ATOM 0 HD13 LEU B 126 14.140 -5.513 9.743 1.00 0.00 H new ATOM 0 HD21 LEU B 126 12.028 -6.815 11.552 1.00 0.00 H new ATOM 0 HD22 LEU B 126 12.926 -7.706 10.300 1.00 0.00 H new ATOM 0 HD23 LEU B 126 12.940 -8.281 11.985 1.00 0.00 H new ATOM 2097 N ASN B 127 18.231 -8.716 11.483 1.00 0.00 N ATOM 2098 CA ASN B 127 19.074 -9.901 11.714 1.00 0.00 C ATOM 2099 C ASN B 127 20.381 -9.552 12.449 1.00 0.00 C ATOM 2100 O ASN B 127 20.611 -10.034 13.562 1.00 0.00 O ATOM 2101 CB ASN B 127 19.373 -10.610 10.386 1.00 0.00 C ATOM 2102 CG ASN B 127 18.159 -11.325 9.825 1.00 0.00 C ATOM 2103 OD1 ASN B 127 17.953 -12.513 10.076 1.00 0.00 O ATOM 2104 ND2 ASN B 127 17.343 -10.602 9.067 1.00 0.00 N ATOM 0 H ASN B 127 18.209 -8.406 10.512 1.00 0.00 H new ATOM 0 HA ASN B 127 18.515 -10.577 12.361 1.00 0.00 H new ATOM 0 HB2 ASN B 127 19.729 -9.879 9.659 1.00 0.00 H new ATOM 0 HB3 ASN B 127 20.178 -11.329 10.535 1.00 0.00 H new ATOM 0 HD21 ASN B 127 16.507 -11.028 8.667 1.00 0.00 H new ATOM 0 HD22 ASN B 127 17.552 -9.620 8.885 1.00 0.00 H new ATOM 2111 N PHE B 128 21.226 -8.717 11.820 1.00 0.00 N ATOM 2112 CA PHE B 128 22.509 -8.298 12.407 1.00 0.00 C ATOM 2113 C PHE B 128 22.310 -7.301 13.554 1.00 0.00 C ATOM 2114 O PHE B 128 22.707 -7.628 14.693 1.00 0.00 O ATOM 2115 CB PHE B 128 23.420 -7.700 11.328 1.00 0.00 C ATOM 2116 CG PHE B 128 24.047 -8.727 10.426 1.00 0.00 C ATOM 2117 CD1 PHE B 128 23.373 -9.197 9.308 1.00 0.00 C ATOM 2118 CD2 PHE B 128 25.314 -9.221 10.695 1.00 0.00 C ATOM 2119 CE1 PHE B 128 23.951 -10.140 8.478 1.00 0.00 C ATOM 2120 CE2 PHE B 128 25.896 -10.164 9.868 1.00 0.00 C ATOM 2121 CZ PHE B 128 25.214 -10.623 8.759 1.00 0.00 C ATOM 2122 OXT PHE B 128 21.751 -6.211 13.307 1.00 0.00 O1- ATOM 0 H PHE B 128 21.041 -8.317 10.900 1.00 0.00 H new ATOM 0 HA PHE B 128 22.987 -9.185 12.823 1.00 0.00 H new ATOM 0 HB2 PHE B 128 22.841 -7.003 10.722 1.00 0.00 H new ATOM 0 HB3 PHE B 128 24.209 -7.123 11.811 1.00 0.00 H new ATOM 0 HD1 PHE B 128 22.385 -8.822 9.083 1.00 0.00 H new ATOM 0 HD2 PHE B 128 25.853 -8.865 11.561 1.00 0.00 H new ATOM 0 HE1 PHE B 128 23.416 -10.498 7.611 1.00 0.00 H new ATOM 0 HE2 PHE B 128 26.883 -10.541 10.090 1.00 0.00 H new ATOM 0 HZ PHE B 128 25.668 -11.359 8.112 1.00 0.00 H new TER 2132 PHE B 128