USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1008 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 99 GLN : amide:sc= -1.14 K(o=-2,f=-5.3!) USER MOD Set 1.2: B 102 LYS NZ :NH3+ -176:sc= -0.832 (180deg=-0.0611) USER MOD Set 2.1: B 85 THR OG1 : rot -98:sc= -0.729 USER MOD Set 2.2: B 117 ASN : amide:sc= -6.48! C(o=-7.2!,f=-8.1!) USER MOD Set 3.1: A 45 TYR OH : rot 27:sc= 0.371 USER MOD Set 3.2: A 60 LYS NZ :NH3+ 180:sc= 0.0021 (180deg=0) USER MOD Set 3.3: A 65 SER OG : rot -128:sc= 0.463 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.36 (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 77:sc= 1.23 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= -3.66! (180deg=-3.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00177 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -120:sc= 0.287 (180deg=-1.86!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.136 K(o=-0.14,f=-5.5!) USER MOD Single : A 41 GLN : amide:sc= -1.4 K(o=-1.4,f=-7.1!) USER MOD Single : A 46 SER OG : rot -40:sc= 0.436 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -146:sc= -0.227 (180deg=-2.86!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -42:sc= 0.975 USER MOD Single : A 59 TYR OH : rot 114:sc= 0.142 USER MOD Single : A 68 HIS : no HD1:sc= -2! K(o=-2!,f=-0.96) USER MOD Single : B 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot -160:sc= -0.164 USER MOD Single : B 101 HIS : no HD1:sc= -3.69! K(o=-3.7!,f=-2.1) USER MOD Single : B 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 112 TYR OH : rot 150:sc= 0.0772 USER MOD Single : B 113 CYS SG : rot 180:sc= -0.477 USER MOD Single : B 118 GLN : amide:sc= -12.9! C(o=-13!,f=-9.8!) USER MOD Single : B 120 SER OG : rot 83:sc= 0.0392 USER MOD Single : B 125 SER OG : rot 89:sc= 0.537 USER MOD Single : B 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.224 5.183 13.139 1.00 0.00 N ATOM 2 CA MET A 1 -10.478 3.720 13.045 1.00 0.00 C ATOM 3 C MET A 1 -9.432 3.043 12.166 1.00 0.00 C ATOM 4 O MET A 1 -8.991 3.613 11.164 1.00 0.00 O ATOM 5 CB MET A 1 -11.878 3.456 12.480 1.00 0.00 C ATOM 6 CG MET A 1 -13.004 3.726 13.468 1.00 0.00 C ATOM 7 SD MET A 1 -13.135 5.466 13.921 1.00 0.00 S ATOM 8 CE MET A 1 -14.512 5.416 15.064 1.00 0.00 C ATOM 0 H1 MET A 1 -11.103 5.672 13.405 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.496 5.363 13.859 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.895 5.538 12.218 1.00 0.00 H new ATOM 0 HA MET A 1 -10.413 3.302 14.050 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.026 4.078 11.597 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.937 2.418 12.152 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.948 3.396 13.035 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.842 3.132 14.368 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.715 6.421 15.433 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.395 5.031 14.554 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.265 4.765 15.903 1.00 0.00 H new ATOM 20 N LEU A 2 -9.044 1.825 12.555 1.00 0.00 N ATOM 21 CA LEU A 2 -8.048 1.048 11.815 1.00 0.00 C ATOM 22 C LEU A 2 -8.714 -0.051 10.995 1.00 0.00 C ATOM 23 O LEU A 2 -9.652 -0.702 11.463 1.00 0.00 O ATOM 24 CB LEU A 2 -7.023 0.431 12.778 1.00 0.00 C ATOM 25 CG LEU A 2 -6.100 1.425 13.495 1.00 0.00 C ATOM 26 CD1 LEU A 2 -6.739 1.933 14.782 1.00 0.00 C ATOM 27 CD2 LEU A 2 -4.752 0.784 13.786 1.00 0.00 C ATOM 0 H LEU A 2 -9.408 1.354 13.384 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.533 1.726 11.134 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.561 -0.145 13.531 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.405 -0.272 12.220 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.944 2.279 12.836 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.064 2.636 15.271 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.678 2.434 14.549 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -6.932 1.093 15.449 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.110 1.503 14.295 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.894 -0.090 14.422 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.285 0.479 12.850 1.00 0.00 H new ATOM 39 N ILE A 3 -8.221 -0.246 9.769 1.00 0.00 N ATOM 40 CA ILE A 3 -8.754 -1.269 8.858 1.00 0.00 C ATOM 41 C ILE A 3 -7.649 -1.836 7.965 1.00 0.00 C ATOM 42 O ILE A 3 -6.699 -1.128 7.616 1.00 0.00 O ATOM 43 CB ILE A 3 -9.926 -0.738 7.979 1.00 0.00 C ATOM 44 CG1 ILE A 3 -9.665 0.698 7.472 1.00 0.00 C ATOM 45 CG2 ILE A 3 -11.228 -0.795 8.773 1.00 0.00 C ATOM 46 CD1 ILE A 3 -10.190 0.963 6.076 1.00 0.00 C ATOM 0 H ILE A 3 -7.448 0.294 9.380 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.151 -2.064 9.489 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.005 -1.378 7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.125 1.405 8.162 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.592 0.889 7.488 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.047 -0.423 8.157 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.432 -1.825 9.064 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.137 -0.177 9.666 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.968 1.992 5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.712 0.282 5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.269 0.806 6.057 1.00 0.00 H new ATOM 58 N LYS A 4 -7.789 -3.117 7.603 1.00 0.00 N ATOM 59 CA LYS A 4 -6.802 -3.802 6.762 1.00 0.00 C ATOM 60 C LYS A 4 -7.371 -4.119 5.382 1.00 0.00 C ATOM 61 O LYS A 4 -8.479 -4.649 5.266 1.00 0.00 O ATOM 62 CB LYS A 4 -6.334 -5.102 7.435 1.00 0.00 C ATOM 63 CG LYS A 4 -5.455 -4.895 8.673 1.00 0.00 C ATOM 64 CD LYS A 4 -6.276 -4.671 9.946 1.00 0.00 C ATOM 65 CE LYS A 4 -6.633 -5.983 10.638 1.00 0.00 C ATOM 66 NZ LYS A 4 -7.385 -5.758 11.902 1.00 0.00 N1+ ATOM 0 H LYS A 4 -8.578 -3.700 7.880 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.953 -3.130 6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.210 -5.685 7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.780 -5.695 6.707 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.812 -5.765 8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.801 -4.038 8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.712 -4.041 10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.190 -4.133 9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.231 -6.597 9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.721 -6.540 10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.608 -6.674 12.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.805 -5.193 12.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.268 -5.249 11.695 1.00 0.00 H new ATOM 80 N VAL A 5 -6.595 -3.788 4.343 1.00 0.00 N ATOM 81 CA VAL A 5 -6.996 -4.037 2.953 1.00 0.00 C ATOM 82 C VAL A 5 -6.152 -5.171 2.357 1.00 0.00 C ATOM 83 O VAL A 5 -4.971 -5.308 2.683 1.00 0.00 O ATOM 84 CB VAL A 5 -6.852 -2.758 2.070 1.00 0.00 C ATOM 85 CG1 VAL A 5 -7.502 -2.943 0.702 1.00 0.00 C ATOM 86 CG2 VAL A 5 -7.448 -1.537 2.761 1.00 0.00 C ATOM 0 H VAL A 5 -5.681 -3.345 4.440 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.048 -4.324 2.961 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.784 -2.594 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.382 -2.032 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.026 -3.775 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.564 -3.155 0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.332 -0.663 2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.507 -1.708 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.932 -1.365 3.706 1.00 0.00 H new ATOM 96 N LYS A 6 -6.774 -5.972 1.482 1.00 0.00 N ATOM 97 CA LYS A 6 -6.092 -7.094 0.831 1.00 0.00 C ATOM 98 C LYS A 6 -5.682 -6.739 -0.598 1.00 0.00 C ATOM 99 O LYS A 6 -6.521 -6.339 -1.415 1.00 0.00 O ATOM 100 CB LYS A 6 -6.982 -8.341 0.824 1.00 0.00 C ATOM 101 CG LYS A 6 -7.027 -9.072 2.157 1.00 0.00 C ATOM 102 CD LYS A 6 -7.788 -10.383 2.046 1.00 0.00 C ATOM 103 CE LYS A 6 -7.748 -11.165 3.349 1.00 0.00 C ATOM 104 NZ LYS A 6 -8.472 -12.461 3.241 1.00 0.00 N1+ ATOM 0 H LYS A 6 -7.751 -5.862 1.209 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.190 -7.307 1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.995 -8.051 0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.624 -9.027 0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.011 -9.267 2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.501 -8.437 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.824 -10.181 1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.360 -10.986 1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.711 -11.351 3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.191 -10.567 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.421 -12.964 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.468 -12.283 2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.034 -13.043 2.499 1.00 0.00 H new ATOM 118 N THR A 7 -4.381 -6.886 -0.880 1.00 0.00 N ATOM 119 CA THR A 7 -3.819 -6.594 -2.200 1.00 0.00 C ATOM 120 C THR A 7 -3.637 -7.878 -3.020 1.00 0.00 C ATOM 121 O THR A 7 -3.646 -8.984 -2.469 1.00 0.00 O ATOM 122 CB THR A 7 -2.454 -5.869 -2.082 1.00 0.00 C ATOM 123 OG1 THR A 7 -2.317 -5.255 -0.793 1.00 0.00 O ATOM 124 CG2 THR A 7 -2.317 -4.803 -3.155 1.00 0.00 C ATOM 0 H THR A 7 -3.693 -7.210 -0.200 1.00 0.00 H new ATOM 0 HA THR A 7 -4.527 -5.940 -2.710 1.00 0.00 H new ATOM 0 HB THR A 7 -1.671 -6.616 -2.213 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.109 -5.941 -0.124 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.352 -4.307 -3.054 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.385 -5.267 -4.139 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.116 -4.070 -3.043 1.00 0.00 H new ATOM 132 N LEU A 8 -3.450 -7.712 -4.342 1.00 0.00 N ATOM 133 CA LEU A 8 -3.268 -8.839 -5.273 1.00 0.00 C ATOM 134 C LEU A 8 -1.931 -9.570 -5.072 1.00 0.00 C ATOM 135 O LEU A 8 -1.760 -10.694 -5.553 1.00 0.00 O ATOM 136 CB LEU A 8 -3.365 -8.347 -6.722 1.00 0.00 C ATOM 137 CG LEU A 8 -4.788 -8.213 -7.279 1.00 0.00 C ATOM 138 CD1 LEU A 8 -4.854 -7.088 -8.301 1.00 0.00 C ATOM 139 CD2 LEU A 8 -5.246 -9.525 -7.908 1.00 0.00 C ATOM 0 H LEU A 8 -3.421 -6.797 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.065 -9.551 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.873 -7.377 -6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.807 -9.034 -7.359 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.457 -7.975 -6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.870 -7.006 -8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.569 -6.149 -7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.170 -7.302 -9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.258 -9.408 -8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.573 -9.793 -8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.235 -10.313 -7.155 1.00 0.00 H new ATOM 151 N THR A 9 -0.993 -8.926 -4.361 1.00 0.00 N ATOM 152 CA THR A 9 0.327 -9.514 -4.089 1.00 0.00 C ATOM 153 C THR A 9 0.293 -10.393 -2.825 1.00 0.00 C ATOM 154 O THR A 9 1.250 -11.124 -2.551 1.00 0.00 O ATOM 155 CB THR A 9 1.418 -8.422 -3.925 1.00 0.00 C ATOM 156 OG1 THR A 9 1.105 -7.281 -4.734 1.00 0.00 O ATOM 157 CG2 THR A 9 2.799 -8.946 -4.321 1.00 0.00 C ATOM 0 H THR A 9 -1.125 -7.996 -3.963 1.00 0.00 H new ATOM 0 HA THR A 9 0.579 -10.133 -4.950 1.00 0.00 H new ATOM 0 HB THR A 9 1.439 -8.139 -2.873 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.800 -6.599 -4.620 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.538 -8.155 -4.194 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.062 -9.794 -3.688 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.783 -9.263 -5.364 1.00 0.00 H new ATOM 165 N GLY A 10 -0.814 -10.311 -2.068 1.00 0.00 N ATOM 166 CA GLY A 10 -0.965 -11.094 -0.845 1.00 0.00 C ATOM 167 C GLY A 10 -0.443 -10.363 0.379 1.00 0.00 C ATOM 168 O GLY A 10 0.257 -10.952 1.209 1.00 0.00 O ATOM 0 H GLY A 10 -1.610 -9.712 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.018 -11.335 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.434 -12.039 -0.954 1.00 0.00 H new ATOM 172 N LYS A 11 -0.793 -9.077 0.482 1.00 0.00 N ATOM 173 CA LYS A 11 -0.361 -8.229 1.592 1.00 0.00 C ATOM 174 C LYS A 11 -1.523 -7.412 2.140 1.00 0.00 C ATOM 175 O LYS A 11 -2.266 -6.790 1.378 1.00 0.00 O ATOM 176 CB LYS A 11 0.747 -7.284 1.125 1.00 0.00 C ATOM 177 CG LYS A 11 2.090 -7.542 1.781 1.00 0.00 C ATOM 178 CD LYS A 11 3.215 -6.873 1.009 1.00 0.00 C ATOM 179 CE LYS A 11 4.570 -7.159 1.632 1.00 0.00 C ATOM 180 NZ LYS A 11 5.665 -6.439 0.925 1.00 0.00 N1+ ATOM 0 H LYS A 11 -1.381 -8.598 -0.200 1.00 0.00 H new ATOM 0 HA LYS A 11 0.015 -8.876 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.858 -7.375 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.445 -6.257 1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.076 -7.168 2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.271 -8.615 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.207 -7.224 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.047 -5.796 0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.558 -6.863 2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.763 -8.231 1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.568 -6.618 1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.726 -6.777 -0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.467 -5.418 0.928 1.00 0.00 H new ATOM 194 N GLU A 12 -1.674 -7.427 3.468 1.00 0.00 N ATOM 195 CA GLU A 12 -2.724 -6.657 4.138 1.00 0.00 C ATOM 196 C GLU A 12 -2.175 -5.283 4.533 1.00 0.00 C ATOM 197 O GLU A 12 -1.286 -5.189 5.381 1.00 0.00 O ATOM 198 CB GLU A 12 -3.251 -7.405 5.373 1.00 0.00 C ATOM 199 CG GLU A 12 -4.156 -8.583 5.041 1.00 0.00 C ATOM 200 CD GLU A 12 -4.680 -9.283 6.279 1.00 0.00 C ATOM 201 OE1 GLU A 12 -5.753 -8.881 6.778 1.00 0.00 O ATOM 202 OE2 GLU A 12 -4.020 -10.233 6.748 1.00 0.00 O1- ATOM 0 H GLU A 12 -1.081 -7.965 4.100 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.559 -6.526 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.404 -7.764 5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.799 -6.705 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.997 -8.233 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.606 -9.298 4.429 1.00 0.00 H new ATOM 209 N ILE A 13 -2.743 -4.223 3.935 1.00 0.00 N ATOM 210 CA ILE A 13 -2.309 -2.837 4.180 1.00 0.00 C ATOM 211 C ILE A 13 -3.055 -2.280 5.408 1.00 0.00 C ATOM 212 O ILE A 13 -4.243 -2.563 5.594 1.00 0.00 O ATOM 213 CB ILE A 13 -2.649 -1.934 2.949 1.00 0.00 C ATOM 214 CG1 ILE A 13 -1.890 -2.419 1.697 1.00 0.00 C ATOM 215 CG2 ILE A 13 -2.346 -0.452 3.228 1.00 0.00 C ATOM 216 CD1 ILE A 13 -2.590 -2.097 0.384 1.00 0.00 C ATOM 0 H ILE A 13 -3.513 -4.302 3.271 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.232 -2.835 4.349 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.720 -2.019 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.898 -1.967 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.748 -3.498 1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.596 0.142 2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.940 -0.112 4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.287 -0.334 3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.993 -2.471 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.571 -2.572 0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.708 -1.018 0.290 1.00 0.00 H new ATOM 228 N GLU A 14 -2.350 -1.498 6.229 1.00 0.00 N ATOM 229 CA GLU A 14 -2.944 -0.901 7.427 1.00 0.00 C ATOM 230 C GLU A 14 -3.195 0.593 7.220 1.00 0.00 C ATOM 231 O GLU A 14 -2.253 1.376 7.061 1.00 0.00 O ATOM 232 CB GLU A 14 -2.044 -1.125 8.647 1.00 0.00 C ATOM 233 CG GLU A 14 -2.087 -2.546 9.191 1.00 0.00 C ATOM 234 CD GLU A 14 -1.183 -2.737 10.393 1.00 0.00 C ATOM 235 OE1 GLU A 14 -1.656 -2.530 11.530 1.00 0.00 O ATOM 236 OE2 GLU A 14 -0.002 -3.094 10.196 1.00 0.00 O1- ATOM 0 H GLU A 14 -1.368 -1.264 6.086 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.901 -1.390 7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.016 -0.880 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.340 -0.435 9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.111 -2.794 9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.792 -3.241 8.405 1.00 0.00 H new ATOM 243 N ILE A 15 -4.475 0.977 7.226 1.00 0.00 N ATOM 244 CA ILE A 15 -4.870 2.380 7.030 1.00 0.00 C ATOM 245 C ILE A 15 -5.801 2.873 8.126 1.00 0.00 C ATOM 246 O ILE A 15 -6.375 2.077 8.876 1.00 0.00 O ATOM 247 CB ILE A 15 -5.560 2.646 5.662 1.00 0.00 C ATOM 248 CG1 ILE A 15 -6.198 1.376 5.065 1.00 0.00 C ATOM 249 CG2 ILE A 15 -4.560 3.262 4.705 1.00 0.00 C ATOM 250 CD1 ILE A 15 -7.384 1.654 4.157 1.00 0.00 C ATOM 0 H ILE A 15 -5.258 0.338 7.364 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.928 2.928 7.060 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.380 3.345 5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.441 0.831 4.501 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.520 0.726 5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.042 3.449 3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.194 4.203 5.117 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.723 2.578 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.779 0.712 3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.160 2.171 4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.065 2.278 3.322 1.00 0.00 H new ATOM 262 N ASP A 16 -5.940 4.204 8.205 1.00 0.00 N ATOM 263 CA ASP A 16 -6.807 4.833 9.189 1.00 0.00 C ATOM 264 C ASP A 16 -7.731 5.855 8.527 1.00 0.00 C ATOM 265 O ASP A 16 -7.271 6.871 7.992 1.00 0.00 O ATOM 266 CB ASP A 16 -5.982 5.496 10.301 1.00 0.00 C ATOM 267 CG ASP A 16 -5.291 4.487 11.199 1.00 0.00 C ATOM 268 OD1 ASP A 16 -4.203 4.004 10.823 1.00 0.00 O ATOM 269 OD2 ASP A 16 -5.839 4.181 12.279 1.00 0.00 O1- ATOM 0 H ASP A 16 -5.457 4.861 7.592 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.424 4.054 9.638 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.234 6.149 9.852 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.634 6.127 10.905 1.00 0.00 H new ATOM 274 N ILE A 17 -9.038 5.565 8.560 1.00 0.00 N ATOM 275 CA ILE A 17 -10.057 6.445 7.969 1.00 0.00 C ATOM 276 C ILE A 17 -11.351 6.431 8.791 1.00 0.00 C ATOM 277 O ILE A 17 -11.572 5.521 9.597 1.00 0.00 O ATOM 278 CB ILE A 17 -10.373 6.082 6.479 1.00 0.00 C ATOM 279 CG1 ILE A 17 -10.584 4.568 6.271 1.00 0.00 C ATOM 280 CG2 ILE A 17 -9.265 6.587 5.566 1.00 0.00 C ATOM 281 CD1 ILE A 17 -12.031 4.131 6.393 1.00 0.00 C ATOM 0 H ILE A 17 -9.417 4.723 8.992 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.635 7.450 7.985 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.310 6.576 6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.212 4.291 5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -9.986 4.023 7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.498 6.328 4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.183 7.670 5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.320 6.126 5.852 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.101 3.055 6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.402 4.376 7.388 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.631 4.648 5.644 1.00 0.00 H new ATOM 293 N GLU A 18 -12.197 7.446 8.575 1.00 0.00 N ATOM 294 CA GLU A 18 -13.475 7.564 9.282 1.00 0.00 C ATOM 295 C GLU A 18 -14.626 6.983 8.436 1.00 0.00 C ATOM 296 O GLU A 18 -14.500 6.913 7.210 1.00 0.00 O ATOM 297 CB GLU A 18 -13.766 9.033 9.624 1.00 0.00 C ATOM 298 CG GLU A 18 -12.891 9.604 10.737 1.00 0.00 C ATOM 299 CD GLU A 18 -13.358 9.198 12.125 1.00 0.00 C ATOM 300 OE1 GLU A 18 -14.184 9.928 12.711 1.00 0.00 O1- ATOM 301 OE2 GLU A 18 -12.897 8.149 12.622 1.00 0.00 O ATOM 0 H GLU A 18 -12.016 8.200 7.912 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.402 6.993 10.207 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.631 9.636 8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.812 9.125 9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.864 9.269 10.593 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.885 10.692 10.665 1.00 0.00 H new ATOM 308 N PRO A 19 -15.775 6.559 9.063 1.00 0.00 N ATOM 309 CA PRO A 19 -16.923 5.986 8.321 1.00 0.00 C ATOM 310 C PRO A 19 -17.702 7.026 7.504 1.00 0.00 C ATOM 311 O PRO A 19 -18.486 6.663 6.619 1.00 0.00 O ATOM 312 CB PRO A 19 -17.830 5.407 9.423 1.00 0.00 C ATOM 313 CG PRO A 19 -17.023 5.448 10.678 1.00 0.00 C ATOM 314 CD PRO A 19 -16.060 6.585 10.515 1.00 0.00 C ATOM 0 HA PRO A 19 -16.580 5.252 7.592 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -18.743 5.993 9.526 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.132 4.387 9.185 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.662 5.600 11.548 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.494 4.508 10.832 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.497 7.534 10.826 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.157 6.440 11.108 1.00 0.00 H new ATOM 322 N THR A 20 -17.471 8.313 7.806 1.00 0.00 N ATOM 323 CA THR A 20 -18.147 9.426 7.120 1.00 0.00 C ATOM 324 C THR A 20 -17.446 9.816 5.811 1.00 0.00 C ATOM 325 O THR A 20 -17.972 10.621 5.037 1.00 0.00 O ATOM 326 CB THR A 20 -18.236 10.674 8.024 1.00 0.00 C ATOM 327 OG1 THR A 20 -16.947 10.982 8.569 1.00 0.00 O ATOM 328 CG2 THR A 20 -19.232 10.459 9.154 1.00 0.00 C ATOM 0 H THR A 20 -16.815 8.611 8.528 1.00 0.00 H new ATOM 0 HA THR A 20 -19.150 9.068 6.887 1.00 0.00 H new ATOM 0 HB THR A 20 -18.580 11.509 7.413 1.00 0.00 H new ATOM 0 HG1 THR A 20 -17.014 11.776 9.139 1.00 0.00 H new ATOM 0 HG21 THR A 20 -19.275 11.353 9.776 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.219 10.259 8.736 1.00 0.00 H new ATOM 0 HG23 THR A 20 -18.916 9.610 9.761 1.00 0.00 H new ATOM 336 N ASP A 21 -16.261 9.235 5.576 1.00 0.00 N ATOM 337 CA ASP A 21 -15.474 9.505 4.367 1.00 0.00 C ATOM 338 C ASP A 21 -15.964 8.661 3.189 1.00 0.00 C ATOM 339 O ASP A 21 -16.551 7.592 3.385 1.00 0.00 O ATOM 340 CB ASP A 21 -13.989 9.231 4.625 1.00 0.00 C ATOM 341 CG ASP A 21 -13.351 10.271 5.527 1.00 0.00 C ATOM 342 OD1 ASP A 21 -12.839 11.280 4.999 1.00 0.00 O ATOM 343 OD2 ASP A 21 -13.365 10.076 6.761 1.00 0.00 O1- ATOM 0 H ASP A 21 -15.825 8.570 6.214 1.00 0.00 H new ATOM 0 HA ASP A 21 -15.604 10.557 4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.879 8.246 5.078 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.458 9.206 3.674 1.00 0.00 H new ATOM 348 N LYS A 22 -15.714 9.152 1.968 1.00 0.00 N ATOM 349 CA LYS A 22 -16.131 8.458 0.743 1.00 0.00 C ATOM 350 C LYS A 22 -15.091 7.432 0.300 1.00 0.00 C ATOM 351 O LYS A 22 -13.891 7.612 0.531 1.00 0.00 O ATOM 352 CB LYS A 22 -16.384 9.455 -0.396 1.00 0.00 C ATOM 353 CG LYS A 22 -17.600 10.351 -0.186 1.00 0.00 C ATOM 354 CD LYS A 22 -18.251 10.724 -1.507 1.00 0.00 C ATOM 355 CE LYS A 22 -19.354 11.752 -1.314 1.00 0.00 C ATOM 356 NZ LYS A 22 -19.997 12.125 -2.604 1.00 0.00 N1+ ATOM 0 H LYS A 22 -15.223 10.031 1.802 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.060 7.936 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.501 10.083 -0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.511 8.901 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.325 9.839 0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.300 11.256 0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.497 11.121 -2.186 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.663 9.830 -1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.107 11.353 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.941 12.644 -0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.743 12.828 -2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.283 12.529 -3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.414 11.279 -3.042 1.00 0.00 H new ATOM 370 N VAL A 23 -15.576 6.352 -0.339 1.00 0.00 N ATOM 371 CA VAL A 23 -14.721 5.255 -0.851 1.00 0.00 C ATOM 372 C VAL A 23 -13.585 5.789 -1.748 1.00 0.00 C ATOM 373 O VAL A 23 -12.464 5.276 -1.701 1.00 0.00 O ATOM 374 CB VAL A 23 -15.541 4.190 -1.652 1.00 0.00 C ATOM 375 CG1 VAL A 23 -14.753 2.891 -1.814 1.00 0.00 C ATOM 376 CG2 VAL A 23 -16.885 3.894 -0.992 1.00 0.00 C ATOM 0 H VAL A 23 -16.570 6.211 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 23 -14.292 4.777 0.030 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.728 4.617 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -15.349 2.171 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.827 3.092 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.520 2.482 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -17.423 3.150 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.719 3.511 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -17.474 4.810 -0.939 1.00 0.00 H new ATOM 386 N GLU A 24 -13.886 6.830 -2.544 1.00 0.00 N ATOM 387 CA GLU A 24 -12.898 7.448 -3.452 1.00 0.00 C ATOM 388 C GLU A 24 -11.736 8.091 -2.676 1.00 0.00 C ATOM 389 O GLU A 24 -10.585 8.060 -3.128 1.00 0.00 O ATOM 390 CB GLU A 24 -13.566 8.482 -4.387 1.00 0.00 C ATOM 391 CG GLU A 24 -14.437 9.530 -3.692 1.00 0.00 C ATOM 392 CD GLU A 24 -14.996 10.556 -4.658 1.00 0.00 C ATOM 393 OE1 GLU A 24 -16.099 10.324 -5.198 1.00 0.00 O ATOM 394 OE2 GLU A 24 -14.332 11.591 -4.875 1.00 0.00 O1- ATOM 0 H GLU A 24 -14.809 7.264 -2.578 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.485 6.648 -4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.786 8.997 -4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.180 7.948 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.260 9.032 -3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.848 10.038 -2.928 1.00 0.00 H new ATOM 401 N ARG A 25 -12.053 8.655 -1.497 1.00 0.00 N ATOM 402 CA ARG A 25 -11.051 9.292 -0.635 1.00 0.00 C ATOM 403 C ARG A 25 -10.088 8.250 -0.062 1.00 0.00 C ATOM 404 O ARG A 25 -8.885 8.505 0.070 1.00 0.00 O ATOM 405 CB ARG A 25 -11.734 10.061 0.501 1.00 0.00 C ATOM 406 CG ARG A 25 -11.111 11.421 0.790 1.00 0.00 C ATOM 407 CD ARG A 25 -11.721 12.520 -0.074 1.00 0.00 C ATOM 408 NE ARG A 25 -13.049 12.928 0.403 1.00 0.00 N ATOM 409 CZ ARG A 25 -13.656 14.079 0.080 1.00 0.00 C ATOM 410 NH1 ARG A 25 -13.071 14.964 -0.726 1.00 0.00 N1+ ATOM 411 NH2 ARG A 25 -14.859 14.345 0.570 1.00 0.00 N ATOM 0 H ARG A 25 -13.001 8.681 -1.121 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.479 9.995 -1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.786 10.200 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.699 9.457 1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.249 11.668 1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.037 11.374 0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.058 13.385 -0.081 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.798 12.170 -1.103 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.545 12.290 1.025 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.145 14.771 -1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.549 15.834 -0.960 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -15.317 13.676 1.189 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.326 15.219 0.328 1.00 0.00 H new ATOM 425 N ILE A 26 -10.636 7.067 0.261 1.00 0.00 N ATOM 426 CA ILE A 26 -9.847 5.944 0.784 1.00 0.00 C ATOM 427 C ILE A 26 -8.886 5.446 -0.310 1.00 0.00 C ATOM 428 O ILE A 26 -7.738 5.095 -0.025 1.00 0.00 O ATOM 429 CB ILE A 26 -10.764 4.780 1.288 1.00 0.00 C ATOM 430 CG1 ILE A 26 -11.756 5.301 2.349 1.00 0.00 C ATOM 431 CG2 ILE A 26 -9.929 3.629 1.867 1.00 0.00 C ATOM 432 CD1 ILE A 26 -13.061 4.524 2.435 1.00 0.00 C ATOM 0 H ILE A 26 -11.631 6.865 0.167 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.273 6.293 1.642 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.324 4.399 0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.270 5.277 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.984 6.345 2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.592 2.835 2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.263 3.239 1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.338 3.995 2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.695 4.961 3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.575 4.569 1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.850 3.484 2.685 1.00 0.00 H new ATOM 444 N LYS A 27 -9.371 5.461 -1.568 1.00 0.00 N ATOM 445 CA LYS A 27 -8.575 5.040 -2.736 1.00 0.00 C ATOM 446 C LYS A 27 -7.381 5.976 -2.942 1.00 0.00 C ATOM 447 O LYS A 27 -6.294 5.531 -3.325 1.00 0.00 O ATOM 448 CB LYS A 27 -9.427 5.017 -4.014 1.00 0.00 C ATOM 449 CG LYS A 27 -10.705 4.199 -3.905 1.00 0.00 C ATOM 450 CD LYS A 27 -11.367 4.010 -5.262 1.00 0.00 C ATOM 451 CE LYS A 27 -12.295 2.807 -5.263 1.00 0.00 C ATOM 452 NZ LYS A 27 -13.004 2.654 -6.563 1.00 0.00 N1+ ATOM 0 H LYS A 27 -10.317 5.763 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.215 4.031 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.688 6.041 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.824 4.619 -4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.478 3.225 -3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.399 4.696 -3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.930 4.906 -5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.602 3.882 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.720 1.905 -5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.026 2.912 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.627 1.822 -6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.573 3.504 -6.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.308 2.529 -7.325 1.00 0.00 H new ATOM 466 N GLU A 28 -7.601 7.279 -2.681 1.00 0.00 N ATOM 467 CA GLU A 28 -6.546 8.300 -2.794 1.00 0.00 C ATOM 468 C GLU A 28 -5.464 8.067 -1.732 1.00 0.00 C ATOM 469 O GLU A 28 -4.266 8.227 -2.003 1.00 0.00 O ATOM 470 CB GLU A 28 -7.135 9.708 -2.644 1.00 0.00 C ATOM 471 CG GLU A 28 -7.946 10.167 -3.847 1.00 0.00 C ATOM 472 CD GLU A 28 -8.514 11.562 -3.669 1.00 0.00 C ATOM 473 OE1 GLU A 28 -9.643 11.681 -3.149 1.00 0.00 O ATOM 474 OE2 GLU A 28 -7.828 12.534 -4.049 1.00 0.00 O1- ATOM 0 H GLU A 28 -8.506 7.649 -2.389 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.095 8.217 -3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.770 9.733 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.323 10.415 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.315 10.146 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.762 9.466 -4.019 1.00 0.00 H new ATOM 481 N ARG A 29 -5.909 7.671 -0.524 1.00 0.00 N ATOM 482 CA ARG A 29 -5.005 7.366 0.596 1.00 0.00 C ATOM 483 C ARG A 29 -4.127 6.151 0.254 1.00 0.00 C ATOM 484 O ARG A 29 -2.962 6.079 0.663 1.00 0.00 O ATOM 485 CB ARG A 29 -5.817 7.093 1.873 1.00 0.00 C ATOM 486 CG ARG A 29 -5.066 7.381 3.173 1.00 0.00 C ATOM 487 CD ARG A 29 -5.250 8.822 3.626 1.00 0.00 C ATOM 488 NE ARG A 29 -4.480 9.119 4.840 1.00 0.00 N ATOM 489 CZ ARG A 29 -4.536 10.276 5.516 1.00 0.00 C ATOM 490 NH1 ARG A 29 -5.327 11.271 5.116 1.00 0.00 N1+ ATOM 491 NH2 ARG A 29 -3.794 10.435 6.603 1.00 0.00 N ATOM 0 H ARG A 29 -6.897 7.555 -0.300 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.359 8.226 0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.723 7.699 1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.131 6.049 1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.419 6.707 3.953 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.005 7.177 3.032 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.941 9.496 2.827 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.307 9.012 3.812 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.858 8.393 5.195 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.904 11.160 4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.356 12.143 5.644 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.186 9.680 6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.831 11.312 7.122 1.00 0.00 H new ATOM 505 N VAL A 30 -4.703 5.209 -0.518 1.00 0.00 N ATOM 506 CA VAL A 30 -3.992 4.000 -0.956 1.00 0.00 C ATOM 507 C VAL A 30 -2.895 4.382 -1.968 1.00 0.00 C ATOM 508 O VAL A 30 -1.755 3.924 -1.854 1.00 0.00 O ATOM 509 CB VAL A 30 -4.961 2.946 -1.586 1.00 0.00 C ATOM 510 CG1 VAL A 30 -4.250 1.626 -1.873 1.00 0.00 C ATOM 511 CG2 VAL A 30 -6.162 2.684 -0.684 1.00 0.00 C ATOM 0 H VAL A 30 -5.665 5.267 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.540 3.542 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.309 3.370 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.956 0.920 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.430 1.798 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.855 1.216 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.815 1.947 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.818 2.305 0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.713 3.612 -0.533 1.00 0.00 H new ATOM 521 N GLU A 31 -3.256 5.256 -2.931 1.00 0.00 N ATOM 522 CA GLU A 31 -2.330 5.744 -3.972 1.00 0.00 C ATOM 523 C GLU A 31 -1.058 6.340 -3.344 1.00 0.00 C ATOM 524 O GLU A 31 0.057 6.041 -3.776 1.00 0.00 O ATOM 525 CB GLU A 31 -3.042 6.803 -4.843 1.00 0.00 C ATOM 526 CG GLU A 31 -2.226 7.298 -6.037 1.00 0.00 C ATOM 527 CD GLU A 31 -2.755 8.593 -6.628 1.00 0.00 C ATOM 528 OE1 GLU A 31 -2.818 9.603 -5.894 1.00 0.00 O ATOM 529 OE2 GLU A 31 -3.096 8.600 -7.830 1.00 0.00 O1- ATOM 0 H GLU A 31 -4.197 5.642 -3.008 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.033 4.901 -4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.979 6.383 -5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.299 7.657 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.191 7.444 -5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.221 6.529 -6.809 1.00 0.00 H new ATOM 536 N GLU A 32 -1.257 7.170 -2.312 1.00 0.00 N ATOM 537 CA GLU A 32 -0.157 7.831 -1.591 1.00 0.00 C ATOM 538 C GLU A 32 0.665 6.841 -0.760 1.00 0.00 C ATOM 539 O GLU A 32 1.850 7.074 -0.504 1.00 0.00 O ATOM 540 CB GLU A 32 -0.705 8.929 -0.674 1.00 0.00 C ATOM 541 CG GLU A 32 -1.347 10.085 -1.422 1.00 0.00 C ATOM 542 CD GLU A 32 -1.466 11.338 -0.575 1.00 0.00 C ATOM 543 OE1 GLU A 32 -0.519 12.152 -0.586 1.00 0.00 O1- ATOM 544 OE2 GLU A 32 -2.505 11.504 0.097 1.00 0.00 O ATOM 0 H GLU A 32 -2.183 7.403 -1.952 1.00 0.00 H new ATOM 0 HA GLU A 32 0.499 8.268 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.440 8.492 0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.107 9.313 -0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.758 10.308 -2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.338 9.786 -1.762 1.00 0.00 H new ATOM 551 N LYS A 33 0.021 5.744 -0.344 1.00 0.00 N ATOM 552 CA LYS A 33 0.664 4.718 0.485 1.00 0.00 C ATOM 553 C LYS A 33 1.543 3.749 -0.321 1.00 0.00 C ATOM 554 O LYS A 33 2.681 3.477 0.071 1.00 0.00 O ATOM 555 CB LYS A 33 -0.402 3.917 1.236 1.00 0.00 C ATOM 556 CG LYS A 33 -0.220 3.868 2.745 1.00 0.00 C ATOM 557 CD LYS A 33 -0.405 2.452 3.260 1.00 0.00 C ATOM 558 CE LYS A 33 -0.544 2.411 4.771 1.00 0.00 C ATOM 559 NZ LYS A 33 -0.140 1.088 5.328 1.00 0.00 N1+ ATOM 0 H LYS A 33 -0.953 5.543 -0.570 1.00 0.00 H new ATOM 0 HA LYS A 33 1.317 5.246 1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.380 4.345 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.407 2.897 0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.774 4.230 3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.939 4.532 3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.291 2.012 2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.446 1.842 2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.070 3.195 5.214 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.577 2.621 5.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.946 0.662 5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.157 0.461 4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.651 1.217 5.991 1.00 0.00 H new ATOM 573 N GLU A 34 1.012 3.231 -1.439 1.00 0.00 N ATOM 574 CA GLU A 34 1.743 2.263 -2.265 1.00 0.00 C ATOM 575 C GLU A 34 2.300 2.887 -3.551 1.00 0.00 C ATOM 576 O GLU A 34 3.399 2.525 -3.984 1.00 0.00 O ATOM 577 CB GLU A 34 0.829 1.074 -2.597 1.00 0.00 C ATOM 578 CG GLU A 34 1.547 -0.273 -2.681 1.00 0.00 C ATOM 579 CD GLU A 34 0.719 -1.407 -2.110 1.00 0.00 C ATOM 580 OE1 GLU A 34 -0.051 -2.025 -2.875 1.00 0.00 O ATOM 581 OE2 GLU A 34 0.841 -1.678 -0.896 1.00 0.00 O1- ATOM 0 H GLU A 34 0.083 3.466 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 34 2.601 1.919 -1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.049 1.009 -1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.334 1.267 -3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.786 -0.490 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.493 -0.211 -2.143 1.00 0.00 H new ATOM 588 N GLY A 35 1.548 3.814 -4.156 1.00 0.00 N ATOM 589 CA GLY A 35 1.996 4.460 -5.386 1.00 0.00 C ATOM 590 C GLY A 35 1.252 3.984 -6.626 1.00 0.00 C ATOM 591 O GLY A 35 1.835 3.931 -7.713 1.00 0.00 O ATOM 0 H GLY A 35 0.639 4.128 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.870 5.538 -5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.062 4.274 -5.518 1.00 0.00 H new ATOM 595 N ILE A 36 -0.032 3.639 -6.462 1.00 0.00 N ATOM 596 CA ILE A 36 -0.864 3.177 -7.580 1.00 0.00 C ATOM 597 C ILE A 36 -2.093 4.093 -7.725 1.00 0.00 C ATOM 598 O ILE A 36 -2.743 4.395 -6.720 1.00 0.00 O ATOM 599 CB ILE A 36 -1.332 1.694 -7.403 1.00 0.00 C ATOM 600 CG1 ILE A 36 -0.129 0.768 -7.139 1.00 0.00 C ATOM 601 CG2 ILE A 36 -2.110 1.209 -8.639 1.00 0.00 C ATOM 602 CD1 ILE A 36 -0.498 -0.554 -6.490 1.00 0.00 C ATOM 0 H ILE A 36 -0.517 3.671 -5.565 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.252 3.221 -8.481 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.997 1.658 -6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.377 0.569 -8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.584 1.289 -6.499 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.423 0.176 -8.489 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.989 1.837 -8.785 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.470 1.270 -9.519 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.403 -1.148 -6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.976 -0.366 -5.529 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.186 -1.098 -7.137 1.00 0.00 H new ATOM 614 N PRO A 37 -2.445 4.541 -8.976 1.00 0.00 N ATOM 615 CA PRO A 37 -3.614 5.425 -9.216 1.00 0.00 C ATOM 616 C PRO A 37 -4.940 4.848 -8.668 1.00 0.00 C ATOM 617 O PRO A 37 -5.133 3.630 -8.712 1.00 0.00 O ATOM 618 CB PRO A 37 -3.680 5.541 -10.750 1.00 0.00 C ATOM 619 CG PRO A 37 -2.813 4.445 -11.271 1.00 0.00 C ATOM 620 CD PRO A 37 -1.741 4.250 -10.246 1.00 0.00 C ATOM 0 HA PRO A 37 -3.493 6.379 -8.703 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.704 5.435 -11.108 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.325 6.515 -11.085 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.386 3.529 -11.417 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.386 4.711 -12.238 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.343 3.235 -10.265 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.900 4.925 -10.406 1.00 0.00 H new ATOM 628 N PRO A 38 -5.878 5.707 -8.146 1.00 0.00 N ATOM 629 CA PRO A 38 -7.175 5.244 -7.593 1.00 0.00 C ATOM 630 C PRO A 38 -8.100 4.612 -8.642 1.00 0.00 C ATOM 631 O PRO A 38 -8.772 3.612 -8.364 1.00 0.00 O ATOM 632 CB PRO A 38 -7.822 6.526 -7.038 1.00 0.00 C ATOM 633 CG PRO A 38 -6.719 7.518 -6.935 1.00 0.00 C ATOM 634 CD PRO A 38 -5.758 7.181 -8.034 1.00 0.00 C ATOM 0 HA PRO A 38 -7.016 4.462 -6.851 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.611 6.885 -7.699 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.279 6.345 -6.065 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.097 8.535 -7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.233 7.462 -5.961 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.022 7.679 -8.967 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.741 7.485 -7.787 1.00 0.00 H new ATOM 642 N GLN A 39 -8.102 5.189 -9.856 1.00 0.00 N ATOM 643 CA GLN A 39 -8.952 4.719 -10.966 1.00 0.00 C ATOM 644 C GLN A 39 -8.607 3.296 -11.434 1.00 0.00 C ATOM 645 O GLN A 39 -9.384 2.684 -12.176 1.00 0.00 O ATOM 646 CB GLN A 39 -8.849 5.685 -12.153 1.00 0.00 C ATOM 647 CG GLN A 39 -9.573 7.005 -11.937 1.00 0.00 C ATOM 648 CD GLN A 39 -9.458 7.935 -13.130 1.00 0.00 C ATOM 649 OE1 GLN A 39 -10.292 7.909 -14.034 1.00 0.00 O ATOM 650 NE2 GLN A 39 -8.418 8.760 -13.138 1.00 0.00 N ATOM 0 H GLN A 39 -7.518 5.990 -10.096 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.972 4.692 -10.583 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.797 5.887 -12.354 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.255 5.200 -13.040 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.626 6.809 -11.734 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.165 7.499 -11.055 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.751 8.747 -12.367 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.286 9.407 -13.916 1.00 0.00 H new ATOM 659 N GLN A 40 -7.454 2.775 -10.996 1.00 0.00 N ATOM 660 CA GLN A 40 -7.025 1.426 -11.378 1.00 0.00 C ATOM 661 C GLN A 40 -7.126 0.436 -10.210 1.00 0.00 C ATOM 662 O GLN A 40 -6.702 -0.725 -10.367 1.00 0.00 O ATOM 663 CB GLN A 40 -5.589 1.433 -11.933 1.00 0.00 C ATOM 664 CG GLN A 40 -5.375 2.374 -13.115 1.00 0.00 C ATOM 665 CD GLN A 40 -4.131 2.033 -13.915 1.00 0.00 C ATOM 666 OE1 GLN A 40 -3.042 2.532 -13.636 1.00 0.00 O ATOM 667 NE2 GLN A 40 -4.290 1.177 -14.917 1.00 0.00 N ATOM 0 H GLN A 40 -6.805 3.265 -10.380 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.706 1.095 -12.162 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.904 1.713 -11.132 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.325 0.420 -12.238 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.246 2.333 -13.769 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.298 3.398 -12.750 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.212 0.787 -15.113 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.490 0.909 -15.491 1.00 0.00 H new ATOM 676 N GLN A 41 -7.729 0.887 -9.066 1.00 0.00 N ATOM 677 CA GLN A 41 -7.910 0.059 -7.838 1.00 0.00 C ATOM 678 C GLN A 41 -9.399 -0.048 -7.426 1.00 0.00 C ATOM 679 O GLN A 41 -10.038 0.986 -7.191 1.00 0.00 O ATOM 680 CB GLN A 41 -7.130 0.665 -6.667 1.00 0.00 C ATOM 681 CG GLN A 41 -5.623 0.577 -6.812 1.00 0.00 C ATOM 682 CD GLN A 41 -4.893 1.219 -5.646 1.00 0.00 C ATOM 683 OE1 GLN A 41 -4.483 0.536 -4.709 1.00 0.00 O ATOM 684 NE2 GLN A 41 -4.745 2.540 -5.688 1.00 0.00 N ATOM 0 H GLN A 41 -8.101 1.832 -8.974 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.536 -0.938 -8.073 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.413 1.712 -6.560 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.425 0.159 -5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.328 -0.470 -6.890 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.321 1.064 -7.739 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.101 3.068 -6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.276 3.025 -4.923 1.00 0.00 H new ATOM 693 N ARG A 42 -9.971 -1.288 -7.350 1.00 0.00 N ATOM 694 CA ARG A 42 -11.373 -1.440 -6.933 1.00 0.00 C ATOM 695 C ARG A 42 -11.462 -1.963 -5.500 1.00 0.00 C ATOM 696 O ARG A 42 -10.554 -2.651 -5.030 1.00 0.00 O ATOM 697 CB ARG A 42 -12.131 -2.378 -7.875 1.00 0.00 C ATOM 698 CG ARG A 42 -13.354 -1.742 -8.516 1.00 0.00 C ATOM 699 CD ARG A 42 -14.054 -2.707 -9.459 1.00 0.00 C ATOM 700 NE ARG A 42 -15.235 -2.105 -10.086 1.00 0.00 N ATOM 701 CZ ARG A 42 -16.031 -2.725 -10.969 1.00 0.00 C ATOM 702 NH1 ARG A 42 -15.792 -3.979 -11.349 1.00 0.00 N1+ ATOM 703 NH2 ARG A 42 -17.076 -2.083 -11.473 1.00 0.00 N ATOM 0 H ARG A 42 -9.490 -2.161 -7.567 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.836 -0.454 -6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.454 -2.715 -8.660 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.441 -3.263 -7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.049 -1.423 -7.739 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.056 -0.848 -9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.357 -3.027 -10.233 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.351 -3.600 -8.909 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.468 -1.145 -9.832 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.992 -4.484 -10.967 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.409 -4.434 -12.022 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.270 -1.123 -11.189 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.685 -2.549 -12.145 1.00 0.00 H new ATOM 717 N LEU A 43 -12.559 -1.624 -4.814 1.00 0.00 N ATOM 718 CA LEU A 43 -12.781 -2.058 -3.433 1.00 0.00 C ATOM 719 C LEU A 43 -14.033 -2.927 -3.345 1.00 0.00 C ATOM 720 O LEU A 43 -15.120 -2.516 -3.768 1.00 0.00 O ATOM 721 CB LEU A 43 -12.894 -0.836 -2.501 1.00 0.00 C ATOM 722 CG LEU A 43 -12.626 -1.096 -1.006 1.00 0.00 C ATOM 723 CD1 LEU A 43 -11.132 -1.171 -0.716 1.00 0.00 C ATOM 724 CD2 LEU A 43 -13.273 -0.012 -0.158 1.00 0.00 C ATOM 0 H LEU A 43 -13.309 -1.048 -5.196 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.928 -2.656 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.195 -0.075 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.896 -0.419 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.067 -2.059 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.977 -1.355 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.690 -1.983 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.660 -0.229 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.076 -0.208 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.859 0.959 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.349 -0.008 -0.331 1.00 0.00 H new ATOM 736 N ILE A 44 -13.859 -4.130 -2.790 1.00 0.00 N ATOM 737 CA ILE A 44 -14.952 -5.094 -2.646 1.00 0.00 C ATOM 738 C ILE A 44 -15.151 -5.468 -1.173 1.00 0.00 C ATOM 739 O ILE A 44 -14.182 -5.728 -0.453 1.00 0.00 O ATOM 740 CB ILE A 44 -14.691 -6.397 -3.473 1.00 0.00 C ATOM 741 CG1 ILE A 44 -13.988 -6.120 -4.838 1.00 0.00 C ATOM 742 CG2 ILE A 44 -15.986 -7.195 -3.682 1.00 0.00 C ATOM 743 CD1 ILE A 44 -14.725 -5.197 -5.809 1.00 0.00 C ATOM 0 H ILE A 44 -12.963 -4.461 -2.431 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.852 -4.614 -3.030 1.00 0.00 H new ATOM 0 HB ILE A 44 -14.003 -7.000 -2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -13.007 -5.690 -4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.820 -7.075 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.770 -8.094 -4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -16.400 -7.477 -2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.708 -6.582 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.137 -5.082 -6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.695 -5.628 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.869 -4.221 -5.345 1.00 0.00 H new ATOM 755 N TYR A 45 -16.420 -5.486 -0.744 1.00 0.00 N ATOM 756 CA TYR A 45 -16.790 -5.844 0.629 1.00 0.00 C ATOM 757 C TYR A 45 -18.077 -6.672 0.618 1.00 0.00 C ATOM 758 O TYR A 45 -19.036 -6.327 -0.078 1.00 0.00 O ATOM 759 CB TYR A 45 -16.965 -4.579 1.495 1.00 0.00 C ATOM 760 CG TYR A 45 -17.140 -4.844 2.986 1.00 0.00 C ATOM 761 CD1 TYR A 45 -16.078 -5.285 3.771 1.00 0.00 C ATOM 762 CD2 TYR A 45 -18.370 -4.649 3.602 1.00 0.00 C ATOM 763 CE1 TYR A 45 -16.240 -5.521 5.124 1.00 0.00 C ATOM 764 CE2 TYR A 45 -18.539 -4.885 4.954 1.00 0.00 C ATOM 765 CZ TYR A 45 -17.470 -5.320 5.709 1.00 0.00 C ATOM 766 OH TYR A 45 -17.635 -5.554 7.055 1.00 0.00 O ATOM 0 H TYR A 45 -17.216 -5.253 -1.338 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.989 -6.441 1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.096 -3.936 1.354 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -17.832 -4.026 1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.112 -5.445 3.316 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -19.209 -4.307 3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.405 -5.861 5.719 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -19.503 -4.730 5.416 1.00 0.00 H new ATOM 0 HH TYR A 45 -16.779 -5.432 7.516 1.00 0.00 H new ATOM 776 N SER A 46 -18.082 -7.775 1.401 1.00 0.00 N ATOM 777 CA SER A 46 -19.240 -8.703 1.516 1.00 0.00 C ATOM 778 C SER A 46 -19.565 -9.401 0.178 1.00 0.00 C ATOM 779 O SER A 46 -20.630 -10.013 0.027 1.00 0.00 O ATOM 780 CB SER A 46 -20.488 -7.963 2.042 1.00 0.00 C ATOM 781 OG SER A 46 -21.495 -8.876 2.445 1.00 0.00 O ATOM 0 H SER A 46 -17.284 -8.051 1.973 1.00 0.00 H new ATOM 0 HA SER A 46 -18.954 -9.474 2.231 1.00 0.00 H new ATOM 0 HB2 SER A 46 -20.210 -7.329 2.884 1.00 0.00 H new ATOM 0 HB3 SER A 46 -20.879 -7.306 1.265 1.00 0.00 H new ATOM 0 HG SER A 46 -21.541 -9.616 1.804 1.00 0.00 H new ATOM 787 N GLY A 47 -18.627 -9.321 -0.775 1.00 0.00 N ATOM 788 CA GLY A 47 -18.824 -9.920 -2.090 1.00 0.00 C ATOM 789 C GLY A 47 -19.379 -8.924 -3.098 1.00 0.00 C ATOM 790 O GLY A 47 -19.378 -9.190 -4.303 1.00 0.00 O ATOM 0 H GLY A 47 -17.731 -8.849 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -17.875 -10.312 -2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.506 -10.766 -2.004 1.00 0.00 H new ATOM 794 N LYS A 48 -19.851 -7.777 -2.590 1.00 0.00 N ATOM 795 CA LYS A 48 -20.416 -6.717 -3.426 1.00 0.00 C ATOM 796 C LYS A 48 -19.384 -5.619 -3.683 1.00 0.00 C ATOM 797 O LYS A 48 -18.447 -5.442 -2.896 1.00 0.00 O ATOM 798 CB LYS A 48 -21.663 -6.120 -2.762 1.00 0.00 C ATOM 799 CG LYS A 48 -22.881 -7.032 -2.808 1.00 0.00 C ATOM 800 CD LYS A 48 -24.083 -6.389 -2.134 1.00 0.00 C ATOM 801 CE LYS A 48 -25.299 -7.300 -2.178 1.00 0.00 C ATOM 802 NZ LYS A 48 -26.483 -6.678 -1.522 1.00 0.00 N1+ ATOM 0 H LYS A 48 -19.851 -7.562 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.700 -7.156 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -21.433 -5.888 -1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -21.908 -5.178 -3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -23.125 -7.264 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -22.649 -7.977 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -23.839 -6.156 -1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -24.316 -5.445 -2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -25.540 -7.534 -3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -25.064 -8.243 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -27.291 -7.331 -1.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -26.262 -6.478 -0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.723 -5.791 -2.009 1.00 0.00 H new ATOM 816 N GLN A 49 -19.567 -4.883 -4.787 1.00 0.00 N ATOM 817 CA GLN A 49 -18.661 -3.791 -5.164 1.00 0.00 C ATOM 818 C GLN A 49 -19.115 -2.459 -4.558 1.00 0.00 C ATOM 819 O GLN A 49 -20.316 -2.183 -4.480 1.00 0.00 O ATOM 820 CB GLN A 49 -18.535 -3.678 -6.701 1.00 0.00 C ATOM 821 CG GLN A 49 -19.860 -3.613 -7.464 1.00 0.00 C ATOM 822 CD GLN A 49 -19.665 -3.507 -8.964 1.00 0.00 C ATOM 823 OE1 GLN A 49 -19.593 -4.516 -9.665 1.00 0.00 O ATOM 824 NE2 GLN A 49 -19.578 -2.280 -9.465 1.00 0.00 N ATOM 0 H GLN A 49 -20.339 -5.026 -5.438 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.676 -4.026 -4.760 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.955 -2.786 -6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.966 -4.533 -7.066 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -20.448 -4.503 -7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -20.434 -2.755 -7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.643 -1.471 -8.847 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.446 -2.147 -10.468 1.00 0.00 H new ATOM 833 N MET A 50 -18.140 -1.645 -4.135 1.00 0.00 N ATOM 834 CA MET A 50 -18.417 -0.341 -3.528 1.00 0.00 C ATOM 835 C MET A 50 -18.337 0.771 -4.571 1.00 0.00 C ATOM 836 O MET A 50 -17.445 0.767 -5.424 1.00 0.00 O ATOM 837 CB MET A 50 -17.434 -0.066 -2.386 1.00 0.00 C ATOM 838 CG MET A 50 -17.595 -1.006 -1.196 1.00 0.00 C ATOM 839 SD MET A 50 -16.525 -0.575 0.190 1.00 0.00 S ATOM 840 CE MET A 50 -17.476 0.729 0.966 1.00 0.00 C ATOM 0 H MET A 50 -17.147 -1.870 -4.203 1.00 0.00 H new ATOM 0 HA MET A 50 -19.429 -0.361 -3.125 1.00 0.00 H new ATOM 0 HB2 MET A 50 -16.416 -0.149 -2.767 1.00 0.00 H new ATOM 0 HB3 MET A 50 -17.565 0.961 -2.046 1.00 0.00 H new ATOM 0 HG2 MET A 50 -18.633 -0.990 -0.865 1.00 0.00 H new ATOM 0 HG3 MET A 50 -17.377 -2.026 -1.513 1.00 0.00 H new ATOM 0 HE1 MET A 50 -16.799 1.470 1.391 1.00 0.00 H new ATOM 0 HE2 MET A 50 -18.114 1.206 0.222 1.00 0.00 H new ATOM 0 HE3 MET A 50 -18.095 0.306 1.758 1.00 0.00 H new ATOM 850 N ASN A 51 -19.278 1.719 -4.490 1.00 0.00 N ATOM 851 CA ASN A 51 -19.339 2.845 -5.426 1.00 0.00 C ATOM 852 C ASN A 51 -18.640 4.079 -4.861 1.00 0.00 C ATOM 853 O ASN A 51 -18.712 4.348 -3.656 1.00 0.00 O ATOM 854 CB ASN A 51 -20.793 3.181 -5.762 1.00 0.00 C ATOM 855 CG ASN A 51 -21.431 2.146 -6.669 1.00 0.00 C ATOM 856 OD1 ASN A 51 -21.446 2.299 -7.891 1.00 0.00 O ATOM 857 ND2 ASN A 51 -21.956 1.083 -6.074 1.00 0.00 N ATOM 0 H ASN A 51 -20.011 1.727 -3.781 1.00 0.00 H new ATOM 0 HA ASN A 51 -18.819 2.546 -6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -21.368 3.256 -4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -20.835 4.158 -6.244 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -22.395 0.351 -6.632 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -21.921 0.998 -5.058 1.00 0.00 H new ATOM 864 N ASP A 52 -17.989 4.842 -5.754 1.00 0.00 N ATOM 865 CA ASP A 52 -17.253 6.067 -5.383 1.00 0.00 C ATOM 866 C ASP A 52 -18.177 7.159 -4.822 1.00 0.00 C ATOM 867 O ASP A 52 -17.709 8.089 -4.158 1.00 0.00 O ATOM 868 CB ASP A 52 -16.492 6.613 -6.594 1.00 0.00 C ATOM 869 CG ASP A 52 -15.313 5.740 -6.985 1.00 0.00 C ATOM 870 OD1 ASP A 52 -14.203 5.973 -6.462 1.00 0.00 O ATOM 871 OD2 ASP A 52 -15.501 4.825 -7.813 1.00 0.00 O1- ATOM 0 H ASP A 52 -17.957 4.630 -6.751 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.552 5.791 -4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -17.174 6.696 -7.440 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.136 7.619 -6.372 1.00 0.00 H new ATOM 876 N GLU A 53 -19.482 7.034 -5.096 1.00 0.00 N ATOM 877 CA GLU A 53 -20.485 7.991 -4.616 1.00 0.00 C ATOM 878 C GLU A 53 -21.000 7.607 -3.223 1.00 0.00 C ATOM 879 O GLU A 53 -21.680 8.403 -2.566 1.00 0.00 O ATOM 880 CB GLU A 53 -21.658 8.076 -5.599 1.00 0.00 C ATOM 881 CG GLU A 53 -21.328 8.815 -6.889 1.00 0.00 C ATOM 882 CD GLU A 53 -22.507 8.877 -7.842 1.00 0.00 C ATOM 883 OE1 GLU A 53 -22.652 7.953 -8.668 1.00 0.00 O1- ATOM 884 OE2 GLU A 53 -23.283 9.852 -7.761 1.00 0.00 O ATOM 0 H GLU A 53 -19.869 6.272 -5.653 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.004 8.967 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.988 7.067 -5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.494 8.575 -5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.004 9.828 -6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -20.491 8.321 -7.383 1.00 0.00 H new ATOM 891 N LYS A 54 -20.667 6.385 -2.782 1.00 0.00 N ATOM 892 CA LYS A 54 -21.086 5.883 -1.471 1.00 0.00 C ATOM 893 C LYS A 54 -19.951 6.017 -0.451 1.00 0.00 C ATOM 894 O LYS A 54 -18.803 6.287 -0.825 1.00 0.00 O ATOM 895 CB LYS A 54 -21.535 4.416 -1.582 1.00 0.00 C ATOM 896 CG LYS A 54 -22.868 4.220 -2.300 1.00 0.00 C ATOM 897 CD LYS A 54 -24.052 4.327 -1.344 1.00 0.00 C ATOM 898 CE LYS A 54 -25.379 4.126 -2.062 1.00 0.00 C ATOM 899 NZ LYS A 54 -25.605 2.700 -2.438 1.00 0.00 N1+ ATOM 0 H LYS A 54 -20.105 5.725 -3.320 1.00 0.00 H new ATOM 0 HA LYS A 54 -21.928 6.483 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -20.765 3.852 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -21.610 3.994 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -22.969 4.967 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -22.879 3.243 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -23.950 3.583 -0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -24.044 5.305 -0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -26.192 4.464 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -25.402 4.745 -2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -26.520 2.610 -2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -24.844 2.383 -3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -25.609 2.111 -1.581 1.00 0.00 H new ATOM 913 N THR A 55 -20.278 5.829 0.834 1.00 0.00 N ATOM 914 CA THR A 55 -19.294 5.931 1.907 1.00 0.00 C ATOM 915 C THR A 55 -19.153 4.603 2.645 1.00 0.00 C ATOM 916 O THR A 55 -20.015 3.723 2.530 1.00 0.00 O ATOM 917 CB THR A 55 -19.659 7.034 2.930 1.00 0.00 C ATOM 918 OG1 THR A 55 -20.970 6.809 3.464 1.00 0.00 O ATOM 919 CG2 THR A 55 -19.599 8.422 2.306 1.00 0.00 C ATOM 0 H THR A 55 -21.221 5.605 1.151 1.00 0.00 H new ATOM 0 HA THR A 55 -18.348 6.194 1.434 1.00 0.00 H new ATOM 0 HB THR A 55 -18.923 6.986 3.733 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.573 6.531 2.744 1.00 0.00 H new ATOM 0 HG21 THR A 55 -19.861 9.169 3.055 1.00 0.00 H new ATOM 0 HG22 THR A 55 -18.590 8.613 1.941 1.00 0.00 H new ATOM 0 HG23 THR A 55 -20.302 8.478 1.475 1.00 0.00 H new ATOM 927 N ALA A 56 -18.068 4.478 3.421 1.00 0.00 N ATOM 928 CA ALA A 56 -17.779 3.268 4.199 1.00 0.00 C ATOM 929 C ALA A 56 -18.898 2.932 5.193 1.00 0.00 C ATOM 930 O ALA A 56 -19.172 1.755 5.449 1.00 0.00 O ATOM 931 CB ALA A 56 -16.460 3.435 4.926 1.00 0.00 C ATOM 0 H ALA A 56 -17.368 5.212 3.526 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.714 2.433 3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.246 2.536 5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.663 3.598 4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.521 4.291 5.597 1.00 0.00 H new ATOM 937 N ALA A 57 -19.546 3.978 5.738 1.00 0.00 N ATOM 938 CA ALA A 57 -20.651 3.811 6.694 1.00 0.00 C ATOM 939 C ALA A 57 -21.854 3.098 6.062 1.00 0.00 C ATOM 940 O ALA A 57 -22.567 2.351 6.740 1.00 0.00 O ATOM 941 CB ALA A 57 -21.075 5.164 7.246 1.00 0.00 C ATOM 0 H ALA A 57 -19.320 4.951 5.530 1.00 0.00 H new ATOM 0 HA ALA A 57 -20.288 3.184 7.509 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -21.894 5.028 7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -20.231 5.631 7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -21.405 5.804 6.427 1.00 0.00 H new ATOM 947 N ASP A 58 -22.049 3.309 4.743 1.00 0.00 N ATOM 948 CA ASP A 58 -23.156 2.696 3.994 1.00 0.00 C ATOM 949 C ASP A 58 -23.035 1.166 3.931 1.00 0.00 C ATOM 950 O ASP A 58 -24.010 0.474 3.622 1.00 0.00 O ATOM 951 CB ASP A 58 -23.207 3.268 2.577 1.00 0.00 C ATOM 952 CG ASP A 58 -23.815 4.656 2.533 1.00 0.00 C ATOM 953 OD1 ASP A 58 -25.042 4.774 2.735 1.00 0.00 O ATOM 954 OD2 ASP A 58 -23.065 5.625 2.293 1.00 0.00 O1- ATOM 0 H ASP A 58 -21.446 3.905 4.175 1.00 0.00 H new ATOM 0 HA ASP A 58 -24.079 2.933 4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.198 3.304 2.166 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.787 2.600 1.940 1.00 0.00 H new ATOM 959 N TYR A 59 -21.833 0.659 4.227 1.00 0.00 N ATOM 960 CA TYR A 59 -21.563 -0.776 4.227 1.00 0.00 C ATOM 961 C TYR A 59 -21.217 -1.264 5.643 1.00 0.00 C ATOM 962 O TYR A 59 -20.613 -2.330 5.816 1.00 0.00 O ATOM 963 CB TYR A 59 -20.433 -1.095 3.240 1.00 0.00 C ATOM 964 CG TYR A 59 -20.855 -1.028 1.787 1.00 0.00 C ATOM 965 CD1 TYR A 59 -20.856 0.178 1.095 1.00 0.00 C ATOM 966 CD2 TYR A 59 -21.251 -2.173 1.108 1.00 0.00 C ATOM 967 CE1 TYR A 59 -21.240 0.241 -0.230 1.00 0.00 C ATOM 968 CE2 TYR A 59 -21.637 -2.118 -0.219 1.00 0.00 C ATOM 969 CZ TYR A 59 -21.629 -0.910 -0.883 1.00 0.00 C ATOM 970 OH TYR A 59 -22.013 -0.851 -2.203 1.00 0.00 O ATOM 0 H TYR A 59 -21.026 1.232 4.472 1.00 0.00 H new ATOM 0 HA TYR A 59 -22.461 -1.304 3.906 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -19.612 -0.396 3.403 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -20.049 -2.093 3.452 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -20.551 1.081 1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -21.258 -3.121 1.624 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -21.236 1.186 -0.752 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.943 -3.017 -0.733 1.00 0.00 H new ATOM 0 HH TYR A 59 -21.364 -1.336 -2.754 1.00 0.00 H new ATOM 980 N LYS A 60 -21.630 -0.467 6.660 1.00 0.00 N ATOM 981 CA LYS A 60 -21.415 -0.755 8.109 1.00 0.00 C ATOM 982 C LYS A 60 -19.976 -1.215 8.453 1.00 0.00 C ATOM 983 O LYS A 60 -19.770 -2.010 9.379 1.00 0.00 O ATOM 984 CB LYS A 60 -22.483 -1.750 8.668 1.00 0.00 C ATOM 985 CG LYS A 60 -22.693 -3.049 7.875 1.00 0.00 C ATOM 986 CD LYS A 60 -21.641 -4.102 8.198 1.00 0.00 C ATOM 987 CE LYS A 60 -21.882 -5.388 7.423 1.00 0.00 C ATOM 988 NZ LYS A 60 -20.860 -6.425 7.734 1.00 0.00 N1+ ATOM 0 H LYS A 60 -22.129 0.408 6.499 1.00 0.00 H new ATOM 0 HA LYS A 60 -21.546 0.202 8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -22.202 -2.015 9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -23.438 -1.228 8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -23.683 -3.449 8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -22.667 -2.828 6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -20.651 -3.713 7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.652 -4.313 9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -22.874 -5.774 7.659 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -21.869 -5.175 6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -21.060 -7.285 7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -19.916 -6.068 7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -20.889 -6.647 8.750 1.00 0.00 H new ATOM 1002 N ILE A 61 -18.988 -0.683 7.719 1.00 0.00 N ATOM 1003 CA ILE A 61 -17.574 -1.021 7.946 1.00 0.00 C ATOM 1004 C ILE A 61 -17.006 -0.156 9.083 1.00 0.00 C ATOM 1005 O ILE A 61 -17.121 1.073 9.052 1.00 0.00 O ATOM 1006 CB ILE A 61 -16.712 -0.834 6.659 1.00 0.00 C ATOM 1007 CG1 ILE A 61 -17.412 -1.443 5.430 1.00 0.00 C ATOM 1008 CG2 ILE A 61 -15.331 -1.473 6.839 1.00 0.00 C ATOM 1009 CD1 ILE A 61 -17.084 -0.748 4.121 1.00 0.00 C ATOM 0 H ILE A 61 -19.142 -0.016 6.962 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.529 -2.074 8.223 1.00 0.00 H new ATOM 0 HB ILE A 61 -16.591 0.236 6.493 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -17.134 -2.494 5.351 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.490 -1.410 5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.744 -1.333 5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -14.819 -1.003 7.679 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -15.446 -2.539 7.035 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.617 -1.238 3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.389 0.297 4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -16.011 -0.804 3.938 1.00 0.00 H new ATOM 1021 N LEU A 62 -16.397 -0.818 10.074 1.00 0.00 N ATOM 1022 CA LEU A 62 -15.824 -0.130 11.235 1.00 0.00 C ATOM 1023 C LEU A 62 -14.376 -0.573 11.491 1.00 0.00 C ATOM 1024 O LEU A 62 -13.884 -1.531 10.872 1.00 0.00 O ATOM 1025 CB LEU A 62 -16.699 -0.400 12.474 1.00 0.00 C ATOM 1026 CG LEU A 62 -16.668 0.683 13.563 1.00 0.00 C ATOM 1027 CD1 LEU A 62 -17.689 1.776 13.274 1.00 0.00 C ATOM 1028 CD2 LEU A 62 -16.922 0.065 14.931 1.00 0.00 C ATOM 0 H LEU A 62 -16.289 -1.832 10.094 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.806 0.940 11.030 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.730 -0.529 12.146 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.385 -1.345 12.918 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.677 1.138 13.563 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -17.647 2.530 14.060 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -17.464 2.240 12.314 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -18.688 1.341 13.242 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.897 0.844 15.693 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -17.900 -0.417 14.937 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -16.151 -0.676 15.144 1.00 0.00 H new ATOM 1040 N GLY A 63 -13.702 0.138 12.422 1.00 0.00 N ATOM 1041 CA GLY A 63 -12.316 -0.163 12.786 1.00 0.00 C ATOM 1042 C GLY A 63 -12.120 -1.598 13.241 1.00 0.00 C ATOM 1043 O GLY A 63 -12.499 -1.963 14.358 1.00 0.00 O ATOM 0 H GLY A 63 -14.104 0.925 12.931 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.671 0.032 11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.001 0.511 13.582 1.00 0.00 H new ATOM 1047 N GLY A 64 -11.523 -2.398 12.359 1.00 0.00 N ATOM 1048 CA GLY A 64 -11.288 -3.803 12.637 1.00 0.00 C ATOM 1049 C GLY A 64 -11.741 -4.703 11.498 1.00 0.00 C ATOM 1050 O GLY A 64 -11.498 -5.914 11.534 1.00 0.00 O ATOM 0 H GLY A 64 -11.194 -2.090 11.444 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.225 -3.961 12.821 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.815 -4.083 13.549 1.00 0.00 H new ATOM 1054 N SER A 65 -12.403 -4.113 10.485 1.00 0.00 N ATOM 1055 CA SER A 65 -12.890 -4.863 9.326 1.00 0.00 C ATOM 1056 C SER A 65 -11.798 -5.013 8.269 1.00 0.00 C ATOM 1057 O SER A 65 -10.910 -4.161 8.155 1.00 0.00 O ATOM 1058 CB SER A 65 -14.102 -4.160 8.716 1.00 0.00 C ATOM 1059 OG SER A 65 -14.774 -4.999 7.792 1.00 0.00 O ATOM 0 H SER A 65 -12.610 -3.115 10.452 1.00 0.00 H new ATOM 0 HA SER A 65 -13.180 -5.857 9.667 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.790 -3.864 9.508 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.781 -3.247 8.214 1.00 0.00 H new ATOM 0 HG SER A 65 -14.896 -4.521 6.945 1.00 0.00 H new ATOM 1065 N VAL A 66 -11.880 -6.102 7.507 1.00 0.00 N ATOM 1066 CA VAL A 66 -10.912 -6.388 6.447 1.00 0.00 C ATOM 1067 C VAL A 66 -11.562 -6.142 5.080 1.00 0.00 C ATOM 1068 O VAL A 66 -12.484 -6.862 4.683 1.00 0.00 O ATOM 1069 CB VAL A 66 -10.365 -7.848 6.532 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -9.157 -8.047 5.617 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -9.991 -8.222 7.965 1.00 0.00 C ATOM 0 H VAL A 66 -12.612 -6.806 7.604 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.062 -5.718 6.577 1.00 0.00 H new ATOM 0 HB VAL A 66 -11.168 -8.505 6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.802 -9.074 5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.445 -7.846 4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.361 -7.363 5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.614 -9.245 7.988 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.220 -7.543 8.329 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.872 -8.146 8.603 1.00 0.00 H new ATOM 1081 N LEU A 67 -11.071 -5.115 4.380 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.592 -4.749 3.060 1.00 0.00 C ATOM 1083 C LEU A 67 -10.732 -5.343 1.947 1.00 0.00 C ATOM 1084 O LEU A 67 -9.517 -5.502 2.109 1.00 0.00 O ATOM 1085 CB LEU A 67 -11.655 -3.219 2.915 1.00 0.00 C ATOM 1086 CG LEU A 67 -12.603 -2.490 3.884 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -12.176 -1.042 4.041 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -14.044 -2.555 3.391 1.00 0.00 C ATOM 0 H LEU A 67 -10.310 -4.520 4.708 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.599 -5.157 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.650 -2.819 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.957 -2.982 1.895 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.548 -2.989 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.853 -0.535 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.161 -1.003 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -12.206 -0.546 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.693 -2.032 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.115 -2.083 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.356 -3.597 3.315 1.00 0.00 H new ATOM 1100 N HIS A 68 -11.374 -5.664 0.820 1.00 0.00 N ATOM 1101 CA HIS A 68 -10.684 -6.248 -0.332 1.00 0.00 C ATOM 1102 C HIS A 68 -10.479 -5.214 -1.435 1.00 0.00 C ATOM 1103 O HIS A 68 -11.345 -4.366 -1.668 1.00 0.00 O ATOM 1104 CB HIS A 68 -11.475 -7.440 -0.883 1.00 0.00 C ATOM 1105 CG HIS A 68 -11.507 -8.625 0.036 1.00 0.00 C ATOM 1106 ND1 HIS A 68 -10.731 -9.750 -0.158 1.00 0.00 N ATOM 1107 CD2 HIS A 68 -12.232 -8.859 1.156 1.00 0.00 C ATOM 1108 CE1 HIS A 68 -10.977 -10.623 0.804 1.00 0.00 C ATOM 1109 NE2 HIS A 68 -11.883 -10.106 1.612 1.00 0.00 N ATOM 0 H HIS A 68 -12.375 -5.528 0.682 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.706 -6.591 0.007 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.498 -7.122 -1.086 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -11.040 -7.743 -1.836 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -12.950 -8.190 1.606 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.515 -11.594 0.910 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -12.263 -10.560 2.442 1.00 0.00 H new ATOM 1118 N LEU A 69 -9.324 -5.297 -2.102 1.00 0.00 N ATOM 1119 CA LEU A 69 -8.980 -4.383 -3.193 1.00 0.00 C ATOM 1120 C LEU A 69 -8.530 -5.180 -4.417 1.00 0.00 C ATOM 1121 O LEU A 69 -7.599 -5.988 -4.326 1.00 0.00 O ATOM 1122 CB LEU A 69 -7.874 -3.416 -2.740 1.00 0.00 C ATOM 1123 CG LEU A 69 -7.684 -2.151 -3.593 1.00 0.00 C ATOM 1124 CD1 LEU A 69 -8.642 -1.049 -3.154 1.00 0.00 C ATOM 1125 CD2 LEU A 69 -6.243 -1.671 -3.506 1.00 0.00 C ATOM 0 H LEU A 69 -8.607 -5.994 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.860 -3.799 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.086 -3.109 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.930 -3.961 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.909 -2.399 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.488 -0.165 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.670 -1.395 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.454 -0.798 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.121 -0.775 -4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.998 -1.442 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.577 -2.452 -3.873 1.00 0.00 H new ATOM 1137 N VAL A 70 -9.198 -4.953 -5.557 1.00 0.00 N ATOM 1138 CA VAL A 70 -8.862 -5.665 -6.795 1.00 0.00 C ATOM 1139 C VAL A 70 -9.059 -4.821 -8.045 1.00 0.00 C ATOM 1140 O VAL A 70 -10.173 -4.460 -8.415 1.00 0.00 O ATOM 1141 CB VAL A 70 -9.639 -6.992 -6.977 1.00 0.00 C ATOM 1142 CG1 VAL A 70 -8.721 -8.166 -6.694 1.00 0.00 C ATOM 1143 CG2 VAL A 70 -10.878 -7.047 -6.097 1.00 0.00 C ATOM 0 H VAL A 70 -9.967 -4.288 -5.646 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.802 -5.891 -6.677 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.981 -7.047 -8.010 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.272 -9.098 -6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.878 -8.144 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.353 -8.101 -5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.395 -7.994 -6.255 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.585 -6.963 -5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.544 -6.223 -6.354 1.00 0.00 H new ATOM 1153 N LEU A 71 -7.959 -4.262 -8.491 1.00 0.00 N ATOM 1154 CA LEU A 71 -7.885 -3.526 -9.752 1.00 0.00 C ATOM 1155 C LEU A 71 -6.462 -3.522 -10.315 1.00 0.00 C ATOM 1156 O LEU A 71 -5.515 -3.908 -9.623 1.00 0.00 O ATOM 1157 CB LEU A 71 -8.593 -2.182 -9.773 1.00 0.00 C ATOM 1158 CG LEU A 71 -9.736 -2.036 -10.802 1.00 0.00 C ATOM 1159 CD1 LEU A 71 -10.537 -0.771 -10.535 1.00 0.00 C ATOM 1160 CD2 LEU A 71 -9.204 -2.007 -12.234 1.00 0.00 C ATOM 0 H LEU A 71 -7.072 -4.300 -7.988 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.493 -4.091 -10.459 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.999 -1.992 -8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.853 -1.406 -9.969 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.382 -2.907 -10.692 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.338 -0.685 -11.270 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.966 -0.817 -9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.882 0.097 -10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.037 -1.903 -12.930 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.525 -1.163 -12.353 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.670 -2.934 -12.443 1.00 0.00 H new ATOM 1172 N ALA A 72 -6.321 -3.082 -11.578 1.00 0.00 N ATOM 1173 CA ALA A 72 -5.033 -3.084 -12.315 1.00 0.00 C ATOM 1174 C ALA A 72 -4.489 -4.501 -12.527 1.00 0.00 C ATOM 1175 O ALA A 72 -4.391 -5.285 -11.579 1.00 0.00 O ATOM 1176 CB ALA A 72 -3.986 -2.208 -11.626 1.00 0.00 C ATOM 0 H ALA A 72 -7.099 -2.712 -12.124 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.241 -2.659 -13.297 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.057 -2.235 -12.195 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.349 -1.182 -11.572 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.805 -2.582 -10.618 1.00 0.00 H new ATOM 1275 N ARG B 80 19.746 2.525 -9.389 1.00 0.00 N ATOM 1276 CA ARG B 80 19.923 2.484 -7.937 1.00 0.00 C ATOM 1277 C ARG B 80 19.012 3.484 -7.232 1.00 0.00 C ATOM 1278 O ARG B 80 18.889 4.638 -7.656 1.00 0.00 O ATOM 1279 CB ARG B 80 21.387 2.765 -7.565 1.00 0.00 C ATOM 1280 CG ARG B 80 22.294 1.539 -7.635 1.00 0.00 C ATOM 1281 CD ARG B 80 22.244 0.723 -6.349 1.00 0.00 C ATOM 1282 NE ARG B 80 23.133 -0.445 -6.398 1.00 0.00 N ATOM 1283 CZ ARG B 80 22.774 -1.692 -6.060 1.00 0.00 C ATOM 1284 NH1 ARG B 80 21.539 -1.966 -5.643 1.00 0.00 N1+ ATOM 1285 NH2 ARG B 80 23.664 -2.673 -6.134 1.00 0.00 N ATOM 0 HA ARG B 80 19.652 1.482 -7.604 1.00 0.00 H new ATOM 0 HB2 ARG B 80 21.779 3.533 -8.232 1.00 0.00 H new ATOM 0 HB3 ARG B 80 21.422 3.173 -6.555 1.00 0.00 H new ATOM 0 HG2 ARG B 80 21.994 0.912 -8.475 1.00 0.00 H new ATOM 0 HG3 ARG B 80 23.320 1.856 -7.825 1.00 0.00 H new ATOM 0 HD2 ARG B 80 22.525 1.356 -5.508 1.00 0.00 H new ATOM 0 HD3 ARG B 80 21.221 0.392 -6.171 1.00 0.00 H new ATOM 0 HE ARG B 80 24.092 -0.297 -6.712 1.00 0.00 H new ATOM 0 HH11 ARG B 80 20.846 -1.220 -5.576 1.00 0.00 H new ATOM 0 HH12 ARG B 80 21.286 -2.921 -5.391 1.00 0.00 H new ATOM 0 HH21 ARG B 80 24.615 -2.476 -6.447 1.00 0.00 H new ATOM 0 HH22 ARG B 80 23.397 -3.624 -5.878 1.00 0.00 H new ATOM 1299 N LYS B 81 18.380 3.017 -6.152 1.00 0.00 N ATOM 1300 CA LYS B 81 17.480 3.839 -5.338 1.00 0.00 C ATOM 1301 C LYS B 81 17.819 3.675 -3.847 1.00 0.00 C ATOM 1302 O LYS B 81 17.020 4.027 -2.971 1.00 0.00 O ATOM 1303 CB LYS B 81 16.014 3.446 -5.596 1.00 0.00 C ATOM 1304 CG LYS B 81 15.450 3.953 -6.916 1.00 0.00 C ATOM 1305 CD LYS B 81 13.946 3.726 -6.990 1.00 0.00 C ATOM 1306 CE LYS B 81 13.331 4.350 -8.238 1.00 0.00 C ATOM 1307 NZ LYS B 81 13.239 3.379 -9.363 1.00 0.00 N1+ ATOM 0 H LYS B 81 18.478 2.059 -5.817 1.00 0.00 H new ATOM 0 HA LYS B 81 17.613 4.884 -5.617 1.00 0.00 H new ATOM 0 HB2 LYS B 81 15.933 2.359 -5.574 1.00 0.00 H new ATOM 0 HB3 LYS B 81 15.399 3.829 -4.781 1.00 0.00 H new ATOM 0 HG2 LYS B 81 15.667 5.016 -7.024 1.00 0.00 H new ATOM 0 HG3 LYS B 81 15.940 3.442 -7.745 1.00 0.00 H new ATOM 0 HD2 LYS B 81 13.741 2.656 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS B 81 13.472 4.148 -6.104 1.00 0.00 H new ATOM 0 HE2 LYS B 81 12.335 4.726 -8.002 1.00 0.00 H new ATOM 0 HE3 LYS B 81 13.930 5.207 -8.547 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 12.815 3.845 -10.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 14.191 3.039 -9.607 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 12.646 2.573 -9.079 1.00 0.00 H new ATOM 1321 N THR B 82 19.040 3.169 -3.582 1.00 0.00 N ATOM 1322 CA THR B 82 19.552 2.904 -2.220 1.00 0.00 C ATOM 1323 C THR B 82 19.446 4.116 -1.280 1.00 0.00 C ATOM 1324 O THR B 82 19.079 3.966 -0.113 1.00 0.00 O ATOM 1325 CB THR B 82 21.030 2.430 -2.268 1.00 0.00 C ATOM 1326 OG1 THR B 82 21.270 1.674 -3.463 1.00 0.00 O ATOM 1327 CG2 THR B 82 21.383 1.569 -1.058 1.00 0.00 C ATOM 0 H THR B 82 19.707 2.930 -4.316 1.00 0.00 H new ATOM 0 HA THR B 82 18.915 2.118 -1.816 1.00 0.00 H new ATOM 0 HB THR B 82 21.657 3.321 -2.257 1.00 0.00 H new ATOM 0 HG1 THR B 82 22.073 1.124 -3.346 1.00 0.00 H new ATOM 0 HG21 THR B 82 22.425 1.256 -1.126 1.00 0.00 H new ATOM 0 HG22 THR B 82 21.236 2.147 -0.145 1.00 0.00 H new ATOM 0 HG23 THR B 82 20.740 0.689 -1.038 1.00 0.00 H new ATOM 1335 N ARG B 83 19.760 5.304 -1.802 1.00 0.00 N ATOM 1336 CA ARG B 83 19.731 6.550 -1.019 1.00 0.00 C ATOM 1337 C ARG B 83 18.329 6.914 -0.502 1.00 0.00 C ATOM 1338 O ARG B 83 18.184 7.308 0.656 1.00 0.00 O ATOM 1339 CB ARG B 83 20.288 7.715 -1.855 1.00 0.00 C ATOM 1340 CG ARG B 83 21.802 7.679 -2.056 1.00 0.00 C ATOM 1341 CD ARG B 83 22.202 6.807 -3.240 1.00 0.00 C ATOM 1342 NE ARG B 83 23.658 6.764 -3.423 1.00 0.00 N ATOM 1343 CZ ARG B 83 24.290 6.025 -4.347 1.00 0.00 C ATOM 1344 NH1 ARG B 83 23.612 5.251 -5.192 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 83 25.613 6.064 -4.422 1.00 0.00 N ATOM 0 H ARG B 83 20.041 5.433 -2.774 1.00 0.00 H new ATOM 0 HA ARG B 83 20.358 6.376 -0.144 1.00 0.00 H new ATOM 0 HB2 ARG B 83 19.804 7.710 -2.831 1.00 0.00 H new ATOM 0 HB3 ARG B 83 20.020 8.654 -1.371 1.00 0.00 H new ATOM 0 HG2 ARG B 83 22.171 8.693 -2.212 1.00 0.00 H new ATOM 0 HG3 ARG B 83 22.279 7.302 -1.151 1.00 0.00 H new ATOM 0 HD2 ARG B 83 21.825 5.795 -3.089 1.00 0.00 H new ATOM 0 HD3 ARG B 83 21.734 7.189 -4.147 1.00 0.00 H new ATOM 0 HE ARG B 83 24.230 7.337 -2.803 1.00 0.00 H new ATOM 0 HH11 ARG B 83 22.594 5.213 -5.144 1.00 0.00 H new ATOM 0 HH12 ARG B 83 24.111 4.696 -5.888 1.00 0.00 H new ATOM 0 HH21 ARG B 83 26.143 6.653 -3.780 1.00 0.00 H new ATOM 0 HH22 ARG B 83 26.101 5.505 -5.122 1.00 0.00 H new ATOM 1359 N GLU B 84 17.300 6.732 -1.349 1.00 0.00 N ATOM 1360 CA GLU B 84 15.931 7.091 -1.017 1.00 0.00 C ATOM 1361 C GLU B 84 15.357 6.082 -0.054 1.00 0.00 C ATOM 1362 O GLU B 84 14.646 6.432 0.874 1.00 0.00 O ATOM 1363 CB GLU B 84 15.069 7.172 -2.283 1.00 0.00 C ATOM 1364 CG GLU B 84 15.303 8.431 -3.104 1.00 0.00 C ATOM 1365 CD GLU B 84 14.432 8.487 -4.345 1.00 0.00 C ATOM 1366 OE1 GLU B 84 14.872 7.988 -5.402 1.00 0.00 O1- ATOM 1367 OE2 GLU B 84 13.310 9.030 -4.258 1.00 0.00 O ATOM 0 H GLU B 84 17.406 6.331 -2.281 1.00 0.00 H new ATOM 0 HA GLU B 84 15.932 8.073 -0.544 1.00 0.00 H new ATOM 0 HB2 GLU B 84 15.271 6.300 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU B 84 14.018 7.124 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU B 84 15.105 9.306 -2.485 1.00 0.00 H new ATOM 0 HG3 GLU B 84 16.352 8.479 -3.398 1.00 0.00 H new ATOM 1374 N THR B 85 15.699 4.821 -0.322 1.00 0.00 N ATOM 1375 CA THR B 85 15.234 3.673 0.437 1.00 0.00 C ATOM 1376 C THR B 85 15.764 3.595 1.884 1.00 0.00 C ATOM 1377 O THR B 85 14.985 3.734 2.827 1.00 0.00 O ATOM 1378 CB THR B 85 15.625 2.380 -0.305 1.00 0.00 C ATOM 1379 OG1 THR B 85 16.914 2.530 -0.899 1.00 0.00 O ATOM 1380 CG2 THR B 85 14.612 2.022 -1.379 1.00 0.00 C ATOM 0 H THR B 85 16.321 4.570 -1.091 1.00 0.00 H new ATOM 0 HA THR B 85 14.153 3.790 0.515 1.00 0.00 H new ATOM 0 HB THR B 85 15.645 1.572 0.427 1.00 0.00 H new ATOM 0 HG1 THR B 85 16.813 2.771 -1.844 1.00 0.00 H new ATOM 0 HG21 THR B 85 14.922 1.105 -1.880 1.00 0.00 H new ATOM 0 HG22 THR B 85 13.634 1.873 -0.921 1.00 0.00 H new ATOM 0 HG23 THR B 85 14.552 2.831 -2.107 1.00 0.00 H new ATOM 1388 N GLU B 86 17.087 3.437 2.072 1.00 0.00 N ATOM 1389 CA GLU B 86 17.655 3.290 3.427 1.00 0.00 C ATOM 1390 C GLU B 86 17.543 4.574 4.272 1.00 0.00 C ATOM 1391 O GLU B 86 17.223 4.502 5.463 1.00 0.00 O ATOM 1392 CB GLU B 86 19.072 2.708 3.387 1.00 0.00 C ATOM 1393 CG GLU B 86 20.126 3.584 2.713 1.00 0.00 C ATOM 1394 CD GLU B 86 21.513 2.979 2.783 1.00 0.00 C ATOM 1395 OE1 GLU B 86 21.831 2.122 1.933 1.00 0.00 O1- ATOM 1396 OE2 GLU B 86 22.282 3.360 3.690 1.00 0.00 O ATOM 0 H GLU B 86 17.773 3.408 1.318 1.00 0.00 H new ATOM 0 HA GLU B 86 17.037 2.559 3.950 1.00 0.00 H new ATOM 0 HB2 GLU B 86 19.392 2.507 4.409 1.00 0.00 H new ATOM 0 HB3 GLU B 86 19.037 1.749 2.870 1.00 0.00 H new ATOM 0 HG2 GLU B 86 19.852 3.738 1.669 1.00 0.00 H new ATOM 0 HG3 GLU B 86 20.136 4.565 3.188 1.00 0.00 H new ATOM 1403 N ARG B 87 17.799 5.737 3.653 1.00 0.00 N ATOM 1404 CA ARG B 87 17.663 7.048 4.325 1.00 0.00 C ATOM 1405 C ARG B 87 16.210 7.259 4.779 1.00 0.00 C ATOM 1406 O ARG B 87 15.940 7.842 5.828 1.00 0.00 O ATOM 1407 CB ARG B 87 18.101 8.195 3.411 1.00 0.00 C ATOM 1408 CG ARG B 87 19.606 8.279 3.207 1.00 0.00 C ATOM 1409 CD ARG B 87 19.986 9.464 2.335 1.00 0.00 C ATOM 1410 NE ARG B 87 21.438 9.566 2.145 1.00 0.00 N ATOM 1411 CZ ARG B 87 22.063 10.604 1.573 1.00 0.00 C ATOM 1412 NH1 ARG B 87 21.380 11.654 1.120 1.00 0.00 N1+ ATOM 1413 NH2 ARG B 87 23.383 10.589 1.454 1.00 0.00 N ATOM 0 H ARG B 87 18.104 5.800 2.682 1.00 0.00 H new ATOM 0 HA ARG B 87 18.317 7.047 5.197 1.00 0.00 H new ATOM 0 HB2 ARG B 87 17.618 8.078 2.441 1.00 0.00 H new ATOM 0 HB3 ARG B 87 17.748 9.137 3.831 1.00 0.00 H new ATOM 0 HG2 ARG B 87 20.101 8.365 4.174 1.00 0.00 H new ATOM 0 HG3 ARG B 87 19.964 7.358 2.747 1.00 0.00 H new ATOM 0 HD2 ARG B 87 19.499 9.370 1.364 1.00 0.00 H new ATOM 0 HD3 ARG B 87 19.615 10.382 2.790 1.00 0.00 H new ATOM 0 HE ARG B 87 22.013 8.790 2.472 1.00 0.00 H new ATOM 0 HH11 ARG B 87 20.364 11.677 1.206 1.00 0.00 H new ATOM 0 HH12 ARG B 87 21.873 12.435 0.687 1.00 0.00 H new ATOM 0 HH21 ARG B 87 23.917 9.790 1.797 1.00 0.00 H new ATOM 0 HH22 ARG B 87 23.865 11.376 1.020 1.00 0.00 H new ATOM 1427 N LEU B 88 15.299 6.764 3.929 1.00 0.00 N ATOM 1428 CA LEU B 88 13.837 6.846 4.086 1.00 0.00 C ATOM 1429 C LEU B 88 13.350 6.429 5.474 1.00 0.00 C ATOM 1430 O LEU B 88 12.782 7.235 6.216 1.00 0.00 O ATOM 1431 CB LEU B 88 13.284 5.930 2.958 1.00 0.00 C ATOM 1432 CG LEU B 88 12.119 4.919 3.181 1.00 0.00 C ATOM 1433 CD1 LEU B 88 11.647 4.531 1.840 1.00 0.00 C ATOM 1434 CD2 LEU B 88 12.469 3.621 3.921 1.00 0.00 C ATOM 0 H LEU B 88 15.571 6.274 3.077 1.00 0.00 H new ATOM 0 HA LEU B 88 13.481 7.873 4.001 1.00 0.00 H new ATOM 0 HB2 LEU B 88 12.970 6.590 2.149 1.00 0.00 H new ATOM 0 HB3 LEU B 88 14.130 5.351 2.587 1.00 0.00 H new ATOM 0 HG LEU B 88 11.393 5.429 3.814 1.00 0.00 H new ATOM 0 HD11 LEU B 88 10.826 3.820 1.935 1.00 0.00 H new ATOM 0 HD12 LEU B 88 11.300 5.416 1.306 1.00 0.00 H new ATOM 0 HD13 LEU B 88 12.465 4.070 1.286 1.00 0.00 H new ATOM 0 HD21 LEU B 88 11.576 3.003 4.013 1.00 0.00 H new ATOM 0 HD22 LEU B 88 13.231 3.078 3.362 1.00 0.00 H new ATOM 0 HD23 LEU B 88 12.849 3.860 4.914 1.00 0.00 H new ATOM 1446 N ARG B 89 13.585 5.177 5.794 1.00 0.00 N ATOM 1447 CA ARG B 89 13.187 4.609 7.098 1.00 0.00 C ATOM 1448 C ARG B 89 14.063 5.127 8.248 1.00 0.00 C ATOM 1449 O ARG B 89 13.549 5.414 9.333 1.00 0.00 O ATOM 1450 CB ARG B 89 13.181 3.083 7.030 1.00 0.00 C ATOM 1451 CG ARG B 89 12.246 2.396 8.032 1.00 0.00 C ATOM 1452 CD ARG B 89 13.012 1.704 9.155 1.00 0.00 C ATOM 1453 NE ARG B 89 13.625 2.659 10.088 1.00 0.00 N ATOM 1454 CZ ARG B 89 14.379 2.318 11.143 1.00 0.00 C ATOM 1455 NH1 ARG B 89 14.633 1.042 11.426 1.00 0.00 N1+ ATOM 1456 NH2 ARG B 89 14.883 3.267 11.920 1.00 0.00 N ATOM 0 H ARG B 89 14.052 4.514 5.176 1.00 0.00 H new ATOM 0 HA ARG B 89 12.173 4.945 7.315 1.00 0.00 H new ATOM 0 HB2 ARG B 89 12.896 2.780 6.023 1.00 0.00 H new ATOM 0 HB3 ARG B 89 14.196 2.722 7.196 1.00 0.00 H new ATOM 0 HG2 ARG B 89 11.568 3.135 8.459 1.00 0.00 H new ATOM 0 HG3 ARG B 89 11.631 1.664 7.509 1.00 0.00 H new ATOM 0 HD2 ARG B 89 12.335 1.049 9.703 1.00 0.00 H new ATOM 0 HD3 ARG B 89 13.788 1.071 8.725 1.00 0.00 H new ATOM 0 HE ARG B 89 13.466 3.653 9.921 1.00 0.00 H new ATOM 0 HH11 ARG B 89 14.252 0.303 10.835 1.00 0.00 H new ATOM 0 HH12 ARG B 89 15.209 0.804 12.233 1.00 0.00 H new ATOM 0 HH21 ARG B 89 14.696 4.248 11.713 1.00 0.00 H new ATOM 0 HH22 ARG B 89 15.458 3.016 12.724 1.00 0.00 H new ATOM 1470 N ARG B 90 15.378 5.238 8.006 1.00 0.00 N ATOM 1471 CA ARG B 90 16.329 5.743 9.014 1.00 0.00 C ATOM 1472 C ARG B 90 15.946 7.161 9.480 1.00 0.00 C ATOM 1473 O ARG B 90 16.025 7.473 10.672 1.00 0.00 O ATOM 1474 CB ARG B 90 17.754 5.732 8.446 1.00 0.00 C ATOM 1475 CG ARG B 90 18.833 5.491 9.495 1.00 0.00 C ATOM 1476 CD ARG B 90 20.198 5.294 8.856 1.00 0.00 C ATOM 1477 NE ARG B 90 21.244 5.062 9.858 1.00 0.00 N ATOM 1478 CZ ARG B 90 21.960 3.933 9.971 1.00 0.00 C ATOM 1479 NH1 ARG B 90 21.760 2.902 9.150 1.00 0.00 N1+ ATOM 1480 NH2 ARG B 90 22.882 3.836 10.919 1.00 0.00 N ATOM 0 H ARG B 90 15.811 4.984 7.118 1.00 0.00 H new ATOM 0 HA ARG B 90 16.288 5.084 9.881 1.00 0.00 H new ATOM 0 HB2 ARG B 90 17.824 4.958 7.682 1.00 0.00 H new ATOM 0 HB3 ARG B 90 17.946 6.685 7.953 1.00 0.00 H new ATOM 0 HG2 ARG B 90 18.870 6.337 10.181 1.00 0.00 H new ATOM 0 HG3 ARG B 90 18.577 4.612 10.086 1.00 0.00 H new ATOM 0 HD2 ARG B 90 20.159 4.448 8.170 1.00 0.00 H new ATOM 0 HD3 ARG B 90 20.452 6.173 8.264 1.00 0.00 H new ATOM 0 HE ARG B 90 21.442 5.815 10.518 1.00 0.00 H new ATOM 0 HH11 ARG B 90 21.052 2.962 8.419 1.00 0.00 H new ATOM 0 HH12 ARG B 90 22.315 2.053 9.253 1.00 0.00 H new ATOM 0 HH21 ARG B 90 23.043 4.616 11.556 1.00 0.00 H new ATOM 0 HH22 ARG B 90 23.430 2.981 11.011 1.00 0.00 H new ATOM 1549 N GLU B 94 9.855 8.474 4.793 1.00 0.00 N ATOM 1550 CA GLU B 94 10.009 7.114 4.264 1.00 0.00 C ATOM 1551 C GLU B 94 9.561 7.040 2.792 1.00 0.00 C ATOM 1552 O GLU B 94 8.361 6.946 2.509 1.00 0.00 O ATOM 1553 CB GLU B 94 9.190 6.151 5.123 1.00 0.00 C ATOM 1554 CG GLU B 94 9.914 5.658 6.361 1.00 0.00 C ATOM 1555 CD GLU B 94 8.962 5.170 7.436 1.00 0.00 C ATOM 1556 OE1 GLU B 94 8.617 3.970 7.424 1.00 0.00 O1- ATOM 1557 OE2 GLU B 94 8.563 5.989 8.291 1.00 0.00 O ATOM 0 HA GLU B 94 11.061 6.833 4.301 1.00 0.00 H new ATOM 0 HB2 GLU B 94 8.268 6.647 5.427 1.00 0.00 H new ATOM 0 HB3 GLU B 94 8.905 5.292 4.516 1.00 0.00 H new ATOM 0 HG2 GLU B 94 10.590 4.849 6.084 1.00 0.00 H new ATOM 0 HG3 GLU B 94 10.529 6.463 6.763 1.00 0.00 H new ATOM 1564 N VAL B 95 10.524 7.125 1.851 1.00 0.00 N ATOM 1565 CA VAL B 95 10.167 7.154 0.412 1.00 0.00 C ATOM 1566 C VAL B 95 9.807 5.775 -0.302 1.00 0.00 C ATOM 1567 O VAL B 95 8.628 5.395 -0.321 1.00 0.00 O ATOM 1568 CB VAL B 95 11.410 7.811 -0.292 1.00 0.00 C ATOM 1569 CG1 VAL B 95 11.303 7.805 -1.819 1.00 0.00 C ATOM 1570 CG2 VAL B 95 11.606 9.246 0.190 1.00 0.00 C ATOM 0 H VAL B 95 11.524 7.173 2.048 1.00 0.00 H new ATOM 0 HA VAL B 95 9.227 7.699 0.325 1.00 0.00 H new ATOM 0 HB VAL B 95 12.271 7.202 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL B 95 12.190 8.271 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL B 95 11.226 6.777 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL B 95 10.417 8.362 -2.124 1.00 0.00 H new ATOM 0 HG21 VAL B 95 12.471 9.683 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL B 95 10.718 9.833 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL B 95 11.769 9.249 1.268 1.00 0.00 H new ATOM 1580 N PHE B 96 10.835 4.967 -0.744 1.00 0.00 N ATOM 1581 CA PHE B 96 10.621 3.679 -1.428 1.00 0.00 C ATOM 1582 C PHE B 96 10.495 2.530 -0.477 1.00 0.00 C ATOM 1583 O PHE B 96 9.482 1.837 -0.404 1.00 0.00 O ATOM 1584 CB PHE B 96 11.691 3.377 -2.478 1.00 0.00 C ATOM 1585 CG PHE B 96 11.244 3.672 -3.885 1.00 0.00 C ATOM 1586 CD1 PHE B 96 10.525 2.730 -4.606 1.00 0.00 C ATOM 1587 CD2 PHE B 96 11.532 4.889 -4.481 1.00 0.00 C ATOM 1588 CE1 PHE B 96 10.104 2.995 -5.893 1.00 0.00 C ATOM 1589 CE2 PHE B 96 11.111 5.160 -5.770 1.00 0.00 C ATOM 1590 CZ PHE B 96 10.396 4.212 -6.476 1.00 0.00 C ATOM 0 H PHE B 96 11.819 5.207 -0.627 1.00 0.00 H new ATOM 0 HA PHE B 96 9.668 3.793 -1.945 1.00 0.00 H new ATOM 0 HB2 PHE B 96 12.583 3.963 -2.257 1.00 0.00 H new ATOM 0 HB3 PHE B 96 11.974 2.327 -2.407 1.00 0.00 H new ATOM 0 HD1 PHE B 96 10.292 1.777 -4.154 1.00 0.00 H new ATOM 0 HD2 PHE B 96 12.091 5.633 -3.933 1.00 0.00 H new ATOM 0 HE1 PHE B 96 9.547 2.251 -6.444 1.00 0.00 H new ATOM 0 HE2 PHE B 96 11.341 6.112 -6.225 1.00 0.00 H new ATOM 0 HZ PHE B 96 10.066 4.423 -7.483 1.00 0.00 H new ATOM 1600 N TRP B 97 11.624 2.344 0.238 1.00 0.00 N ATOM 1601 CA TRP B 97 11.819 1.288 1.184 1.00 0.00 C ATOM 1602 C TRP B 97 10.746 1.265 2.253 1.00 0.00 C ATOM 1603 O TRP B 97 10.381 0.188 2.629 1.00 0.00 O ATOM 1604 CB TRP B 97 13.286 1.259 1.767 1.00 0.00 C ATOM 1605 CG TRP B 97 13.473 0.423 3.050 1.00 0.00 C ATOM 1606 CD1 TRP B 97 12.905 -0.793 3.321 1.00 0.00 C ATOM 1607 CD2 TRP B 97 14.281 0.722 4.214 1.00 0.00 C ATOM 1608 NE1 TRP B 97 13.253 -1.229 4.564 1.00 0.00 N ATOM 1609 CE2 TRP B 97 14.101 -0.330 5.130 1.00 0.00 C ATOM 1610 CE3 TRP B 97 15.121 1.768 4.580 1.00 0.00 C ATOM 1611 CZ2 TRP B 97 14.719 -0.357 6.373 1.00 0.00 C ATOM 1612 CZ3 TRP B 97 15.746 1.739 5.813 1.00 0.00 C ATOM 1613 CH2 TRP B 97 15.539 0.683 6.700 1.00 0.00 C ATOM 0 H TRP B 97 12.434 2.957 0.151 1.00 0.00 H new ATOM 0 HA TRP B 97 11.707 0.353 0.635 1.00 0.00 H new ATOM 0 HB2 TRP B 97 13.956 0.870 1.000 1.00 0.00 H new ATOM 0 HB3 TRP B 97 13.597 2.283 1.973 1.00 0.00 H new ATOM 0 HD1 TRP B 97 12.266 -1.335 2.640 1.00 0.00 H new ATOM 0 HE1 TRP B 97 12.929 -2.092 5.000 1.00 0.00 H new ATOM 0 HE3 TRP B 97 15.284 2.596 3.907 1.00 0.00 H new ATOM 0 HZ2 TRP B 97 14.556 -1.175 7.059 1.00 0.00 H new ATOM 0 HZ3 TRP B 97 16.405 2.547 6.094 1.00 0.00 H new ATOM 0 HH2 TRP B 97 16.035 0.689 7.659 1.00 0.00 H new ATOM 1624 N GLY B 98 10.250 2.417 2.748 1.00 0.00 N ATOM 1625 CA GLY B 98 9.288 2.368 3.831 1.00 0.00 C ATOM 1626 C GLY B 98 8.116 3.329 3.830 1.00 0.00 C ATOM 1627 O GLY B 98 7.637 3.624 4.928 1.00 0.00 O ATOM 0 H GLY B 98 10.496 3.351 2.421 1.00 0.00 H new ATOM 0 HA2 GLY B 98 8.882 1.357 3.862 1.00 0.00 H new ATOM 0 HA3 GLY B 98 9.835 2.520 4.761 1.00 0.00 H new ATOM 1631 N GLN B 99 7.631 3.853 2.676 1.00 0.00 N ATOM 1632 CA GLN B 99 6.424 4.712 2.712 1.00 0.00 C ATOM 1633 C GLN B 99 5.237 3.898 3.299 1.00 0.00 C ATOM 1634 O GLN B 99 4.429 3.306 2.574 1.00 0.00 O ATOM 1635 CB GLN B 99 6.097 5.267 1.315 1.00 0.00 C ATOM 1636 CG GLN B 99 5.356 6.599 1.338 1.00 0.00 C ATOM 1637 CD GLN B 99 5.352 7.288 -0.011 1.00 0.00 C ATOM 1638 OE1 GLN B 99 4.451 7.085 -0.824 1.00 0.00 O ATOM 1639 NE2 GLN B 99 6.364 8.111 -0.258 1.00 0.00 N ATOM 0 H GLN B 99 8.035 3.705 1.751 1.00 0.00 H new ATOM 0 HA GLN B 99 6.611 5.572 3.355 1.00 0.00 H new ATOM 0 HB2 GLN B 99 7.025 5.388 0.756 1.00 0.00 H new ATOM 0 HB3 GLN B 99 5.494 4.536 0.776 1.00 0.00 H new ATOM 0 HG2 GLN B 99 4.328 6.433 1.660 1.00 0.00 H new ATOM 0 HG3 GLN B 99 5.819 7.255 2.075 1.00 0.00 H new ATOM 0 HE21 GLN B 99 7.091 8.251 0.444 1.00 0.00 H new ATOM 0 HE22 GLN B 99 6.415 8.603 -1.150 1.00 0.00 H new ATOM 1648 N ASP B 100 5.189 3.877 4.651 1.00 0.00 N ATOM 1649 CA ASP B 100 4.205 3.126 5.466 1.00 0.00 C ATOM 1650 C ASP B 100 4.368 1.598 5.276 1.00 0.00 C ATOM 1651 O ASP B 100 5.144 0.960 5.991 1.00 0.00 O ATOM 1652 CB ASP B 100 2.756 3.583 5.196 1.00 0.00 C ATOM 1653 CG ASP B 100 2.542 5.062 5.478 1.00 0.00 C ATOM 1654 OD1 ASP B 100 2.397 5.427 6.664 1.00 0.00 O1- ATOM 1655 OD2 ASP B 100 2.525 5.854 4.511 1.00 0.00 O ATOM 0 H ASP B 100 5.854 4.398 5.223 1.00 0.00 H new ATOM 0 HA ASP B 100 4.414 3.353 6.511 1.00 0.00 H new ATOM 0 HB2 ASP B 100 2.502 3.376 4.156 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.074 2.998 5.813 1.00 0.00 H new ATOM 1660 N HIS B 101 3.630 1.036 4.310 1.00 0.00 N ATOM 1661 CA HIS B 101 3.666 -0.397 3.958 1.00 0.00 C ATOM 1662 C HIS B 101 4.953 -0.779 3.218 1.00 0.00 C ATOM 1663 O HIS B 101 5.491 -1.877 3.382 1.00 0.00 O ATOM 1664 CB HIS B 101 2.446 -0.783 3.127 1.00 0.00 C ATOM 1665 CG HIS B 101 1.826 -2.062 3.584 1.00 0.00 C ATOM 1666 ND1 HIS B 101 1.366 -2.249 4.870 1.00 0.00 N ATOM 1667 CD2 HIS B 101 1.614 -3.232 2.936 1.00 0.00 C ATOM 1668 CE1 HIS B 101 0.903 -3.474 4.996 1.00 0.00 C ATOM 1669 NE2 HIS B 101 1.039 -4.093 3.837 1.00 0.00 N ATOM 0 H HIS B 101 2.977 1.572 3.738 1.00 0.00 H new ATOM 0 HA HIS B 101 3.647 -0.954 4.895 1.00 0.00 H new ATOM 0 HB2 HIS B 101 1.706 0.016 3.181 1.00 0.00 H new ATOM 0 HB3 HIS B 101 2.738 -0.877 2.081 1.00 0.00 H new ATOM 0 HD2 HIS B 101 1.852 -3.447 1.905 1.00 0.00 H new ATOM 0 HE1 HIS B 101 0.483 -3.901 5.895 1.00 0.00 H new ATOM 0 HE2 HIS B 101 0.762 -5.055 3.643 1.00 0.00 H new ATOM 1678 N LYS B 102 5.410 0.168 2.406 1.00 0.00 N ATOM 1679 CA LYS B 102 6.570 0.054 1.510 1.00 0.00 C ATOM 1680 C LYS B 102 7.855 -0.570 2.112 1.00 0.00 C ATOM 1681 O LYS B 102 8.595 -1.233 1.382 1.00 0.00 O ATOM 1682 CB LYS B 102 6.898 1.426 0.923 1.00 0.00 C ATOM 1683 CG LYS B 102 5.969 1.851 -0.209 1.00 0.00 C ATOM 1684 CD LYS B 102 6.649 2.835 -1.150 1.00 0.00 C ATOM 1685 CE LYS B 102 5.664 3.436 -2.144 1.00 0.00 C ATOM 1686 NZ LYS B 102 4.754 4.428 -1.506 1.00 0.00 N1+ ATOM 0 H LYS B 102 4.964 1.083 2.347 1.00 0.00 H new ATOM 0 HA LYS B 102 6.254 -0.658 0.748 1.00 0.00 H new ATOM 0 HB2 LYS B 102 6.851 2.171 1.717 1.00 0.00 H new ATOM 0 HB3 LYS B 102 7.924 1.417 0.554 1.00 0.00 H new ATOM 0 HG2 LYS B 102 5.650 0.972 -0.769 1.00 0.00 H new ATOM 0 HG3 LYS B 102 5.071 2.306 0.208 1.00 0.00 H new ATOM 0 HD2 LYS B 102 7.113 3.633 -0.570 1.00 0.00 H new ATOM 0 HD3 LYS B 102 7.448 2.328 -1.691 1.00 0.00 H new ATOM 0 HE2 LYS B 102 6.215 3.918 -2.952 1.00 0.00 H new ATOM 0 HE3 LYS B 102 5.072 2.639 -2.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 4.058 4.760 -2.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 4.258 3.981 -0.708 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 5.309 5.236 -1.160 1.00 0.00 H new ATOM 1700 N VAL B 103 8.131 -0.345 3.415 1.00 0.00 N ATOM 1701 CA VAL B 103 9.392 -0.806 4.098 1.00 0.00 C ATOM 1702 C VAL B 103 9.720 -2.256 3.772 1.00 0.00 C ATOM 1703 O VAL B 103 10.780 -2.546 3.229 1.00 0.00 O ATOM 1704 CB VAL B 103 9.351 -0.537 5.652 1.00 0.00 C ATOM 1705 CG1 VAL B 103 8.098 -1.110 6.320 1.00 0.00 C ATOM 1706 CG2 VAL B 103 10.610 -1.049 6.355 1.00 0.00 C ATOM 0 H VAL B 103 7.497 0.159 4.035 1.00 0.00 H new ATOM 0 HA VAL B 103 10.209 -0.205 3.698 1.00 0.00 H new ATOM 0 HB VAL B 103 9.313 0.547 5.762 1.00 0.00 H new ATOM 0 HG11 VAL B 103 8.124 -0.895 7.388 1.00 0.00 H new ATOM 0 HG12 VAL B 103 7.211 -0.655 5.880 1.00 0.00 H new ATOM 0 HG13 VAL B 103 8.066 -2.189 6.168 1.00 0.00 H new ATOM 0 HG21 VAL B 103 10.540 -0.843 7.423 1.00 0.00 H new ATOM 0 HG22 VAL B 103 10.703 -2.124 6.198 1.00 0.00 H new ATOM 0 HG23 VAL B 103 11.486 -0.545 5.945 1.00 0.00 H new ATOM 1716 N ASP B 104 8.822 -3.129 4.076 1.00 0.00 N ATOM 1717 CA ASP B 104 8.961 -4.520 3.742 1.00 0.00 C ATOM 1718 C ASP B 104 8.758 -4.735 2.236 1.00 0.00 C ATOM 1719 O ASP B 104 9.315 -5.666 1.647 1.00 0.00 O ATOM 1720 CB ASP B 104 8.136 -5.424 4.645 1.00 0.00 C ATOM 1721 CG ASP B 104 6.636 -5.153 4.618 1.00 0.00 C ATOM 1722 OD1 ASP B 104 6.221 -4.065 5.069 1.00 0.00 O ATOM 1723 OD2 ASP B 104 5.879 -6.033 4.150 1.00 0.00 O1- ATOM 0 H ASP B 104 7.958 -2.903 4.569 1.00 0.00 H new ATOM 0 HA ASP B 104 9.985 -4.830 3.948 1.00 0.00 H new ATOM 0 HB2 ASP B 104 8.310 -6.460 4.355 1.00 0.00 H new ATOM 0 HB3 ASP B 104 8.493 -5.315 5.669 1.00 0.00 H new ATOM 1728 N PHE B 105 7.945 -3.838 1.634 1.00 0.00 N ATOM 1729 CA PHE B 105 7.511 -3.971 0.245 1.00 0.00 C ATOM 1730 C PHE B 105 8.664 -3.916 -0.725 1.00 0.00 C ATOM 1731 O PHE B 105 8.652 -4.678 -1.698 1.00 0.00 O ATOM 1732 CB PHE B 105 6.461 -2.886 -0.152 1.00 0.00 C ATOM 1733 CG PHE B 105 6.831 -2.132 -1.446 1.00 0.00 C ATOM 1734 CD1 PHE B 105 7.626 -0.983 -1.418 1.00 0.00 C ATOM 1735 CD2 PHE B 105 6.423 -2.609 -2.691 1.00 0.00 C ATOM 1736 CE1 PHE B 105 7.992 -0.338 -2.586 1.00 0.00 C ATOM 1737 CE2 PHE B 105 6.786 -1.957 -3.859 1.00 0.00 C ATOM 1738 CZ PHE B 105 7.570 -0.823 -3.805 1.00 0.00 C ATOM 0 H PHE B 105 7.579 -3.010 2.103 1.00 0.00 H new ATOM 0 HA PHE B 105 7.046 -4.955 0.182 1.00 0.00 H new ATOM 0 HB2 PHE B 105 5.488 -3.360 -0.280 1.00 0.00 H new ATOM 0 HB3 PHE B 105 6.361 -2.169 0.663 1.00 0.00 H new ATOM 0 HD1 PHE B 105 7.960 -0.592 -0.468 1.00 0.00 H new ATOM 0 HD2 PHE B 105 5.815 -3.500 -2.746 1.00 0.00 H new ATOM 0 HE1 PHE B 105 8.609 0.547 -2.542 1.00 0.00 H new ATOM 0 HE2 PHE B 105 6.454 -2.338 -4.814 1.00 0.00 H new ATOM 0 HZ PHE B 105 7.852 -0.316 -4.716 1.00 0.00 H new ATOM 1748 N ILE B 106 9.659 -3.019 -0.499 1.00 0.00 N ATOM 1749 CA ILE B 106 10.715 -2.918 -1.505 1.00 0.00 C ATOM 1750 C ILE B 106 11.294 -4.272 -1.921 1.00 0.00 C ATOM 1751 O ILE B 106 11.232 -4.605 -3.100 1.00 0.00 O ATOM 1752 CB ILE B 106 11.882 -1.916 -1.259 1.00 0.00 C ATOM 1753 CG1 ILE B 106 12.389 -1.755 0.159 1.00 0.00 C ATOM 1754 CG2 ILE B 106 11.498 -0.539 -1.805 1.00 0.00 C ATOM 1755 CD1 ILE B 106 13.863 -1.484 0.155 1.00 0.00 C ATOM 0 H ILE B 106 9.742 -2.404 0.310 1.00 0.00 H new ATOM 0 HA ILE B 106 10.140 -2.477 -2.320 1.00 0.00 H new ATOM 0 HB ILE B 106 12.718 -2.372 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE B 106 11.863 -0.936 0.650 1.00 0.00 H new ATOM 0 HG13 ILE B 106 12.180 -2.658 0.732 1.00 0.00 H new ATOM 0 HG21 ILE B 106 12.315 0.162 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE B 106 11.303 -0.613 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE B 106 10.602 -0.183 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE B 106 14.215 -1.370 1.180 1.00 0.00 H new ATOM 0 HD12 ILE B 106 14.385 -2.316 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE B 106 14.063 -0.568 -0.401 1.00 0.00 H new ATOM 1767 N LEU B 107 11.808 -5.075 -1.008 1.00 0.00 N ATOM 1768 CA LEU B 107 12.360 -6.368 -1.419 1.00 0.00 C ATOM 1769 C LEU B 107 11.280 -7.402 -1.802 1.00 0.00 C ATOM 1770 O LEU B 107 11.455 -8.135 -2.780 1.00 0.00 O ATOM 1771 CB LEU B 107 13.346 -6.916 -0.378 1.00 0.00 C ATOM 1772 CG LEU B 107 13.521 -8.457 -0.396 1.00 0.00 C ATOM 1773 CD1 LEU B 107 14.695 -8.893 -1.267 1.00 0.00 C ATOM 1774 CD2 LEU B 107 13.630 -9.027 1.013 1.00 0.00 C ATOM 0 H LEU B 107 11.859 -4.873 -0.010 1.00 0.00 H new ATOM 0 HA LEU B 107 12.920 -6.182 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU B 107 14.319 -6.452 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU B 107 13.010 -6.614 0.614 1.00 0.00 H new ATOM 0 HG LEU B 107 12.619 -8.870 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU B 107 14.778 -9.980 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU B 107 14.532 -8.559 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU B 107 15.615 -8.452 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU B 107 13.752 -10.109 0.959 1.00 0.00 H new ATOM 0 HD22 LEU B 107 14.492 -8.590 1.517 1.00 0.00 H new ATOM 0 HD23 LEU B 107 12.725 -8.791 1.572 1.00 0.00 H new ATOM 1786 N GLN B 108 10.182 -7.457 -1.036 1.00 0.00 N ATOM 1787 CA GLN B 108 9.089 -8.423 -1.281 1.00 0.00 C ATOM 1788 C GLN B 108 8.492 -8.324 -2.702 1.00 0.00 C ATOM 1789 O GLN B 108 7.724 -7.406 -3.010 1.00 0.00 O ATOM 1790 CB GLN B 108 7.982 -8.252 -0.228 1.00 0.00 C ATOM 1791 CG GLN B 108 8.358 -8.752 1.164 1.00 0.00 C ATOM 1792 CD GLN B 108 8.239 -10.260 1.307 1.00 0.00 C ATOM 1793 OE1 GLN B 108 7.185 -10.780 1.675 1.00 0.00 O ATOM 1794 NE2 GLN B 108 9.324 -10.968 1.015 1.00 0.00 N ATOM 0 H GLN B 108 10.022 -6.843 -0.237 1.00 0.00 H new ATOM 0 HA GLN B 108 9.530 -9.416 -1.198 1.00 0.00 H new ATOM 0 HB2 GLN B 108 7.718 -7.196 -0.163 1.00 0.00 H new ATOM 0 HB3 GLN B 108 7.092 -8.783 -0.564 1.00 0.00 H new ATOM 0 HG2 GLN B 108 9.382 -8.451 1.387 1.00 0.00 H new ATOM 0 HG3 GLN B 108 7.716 -8.271 1.902 1.00 0.00 H new ATOM 0 HE21 GLN B 108 10.176 -10.495 0.714 1.00 0.00 H new ATOM 0 HE22 GLN B 108 9.305 -11.985 1.092 1.00 0.00 H new ATOM 1803 N ARG B 109 8.881 -9.299 -3.558 1.00 0.00 N ATOM 1804 CA ARG B 109 8.421 -9.425 -4.968 1.00 0.00 C ATOM 1805 C ARG B 109 8.557 -8.113 -5.774 1.00 0.00 C ATOM 1806 O ARG B 109 7.622 -7.688 -6.465 1.00 0.00 O ATOM 1807 CB ARG B 109 6.964 -9.951 -5.010 1.00 0.00 C ATOM 1808 CG ARG B 109 6.682 -10.951 -6.134 1.00 0.00 C ATOM 1809 CD ARG B 109 6.352 -10.259 -7.450 1.00 0.00 C ATOM 1810 NE ARG B 109 6.087 -11.220 -8.527 1.00 0.00 N ATOM 1811 CZ ARG B 109 5.858 -10.891 -9.805 1.00 0.00 C ATOM 1812 NH1 ARG B 109 5.855 -9.619 -10.201 1.00 0.00 N1+ ATOM 1813 NH2 ARG B 109 5.628 -11.845 -10.696 1.00 0.00 N ATOM 0 H ARG B 109 9.534 -10.034 -3.287 1.00 0.00 H new ATOM 0 HA ARG B 109 9.080 -10.146 -5.452 1.00 0.00 H new ATOM 0 HB2 ARG B 109 6.734 -10.423 -4.055 1.00 0.00 H new ATOM 0 HB3 ARG B 109 6.288 -9.103 -5.117 1.00 0.00 H new ATOM 0 HG2 ARG B 109 7.551 -11.595 -6.272 1.00 0.00 H new ATOM 0 HG3 ARG B 109 5.851 -11.595 -5.845 1.00 0.00 H new ATOM 0 HD2 ARG B 109 5.481 -9.618 -7.314 1.00 0.00 H new ATOM 0 HD3 ARG B 109 7.181 -9.613 -7.737 1.00 0.00 H new ATOM 0 HE ARG B 109 6.076 -12.211 -8.285 1.00 0.00 H new ATOM 0 HH11 ARG B 109 6.029 -8.874 -9.526 1.00 0.00 H new ATOM 0 HH12 ARG B 109 5.678 -9.390 -11.179 1.00 0.00 H new ATOM 0 HH21 ARG B 109 5.626 -12.823 -10.407 1.00 0.00 H new ATOM 0 HH22 ARG B 109 5.453 -11.601 -11.671 1.00 0.00 H new ATOM 1827 N GLU B 110 9.741 -7.489 -5.692 1.00 0.00 N ATOM 1828 CA GLU B 110 10.019 -6.228 -6.400 1.00 0.00 C ATOM 1829 C GLU B 110 11.484 -6.162 -6.908 1.00 0.00 C ATOM 1830 O GLU B 110 12.315 -6.957 -6.465 1.00 0.00 O ATOM 1831 CB GLU B 110 9.720 -5.040 -5.472 1.00 0.00 C ATOM 1832 CG GLU B 110 8.451 -4.265 -5.820 1.00 0.00 C ATOM 1833 CD GLU B 110 7.177 -4.973 -5.391 1.00 0.00 C ATOM 1834 OE1 GLU B 110 6.970 -5.140 -4.170 1.00 0.00 O ATOM 1835 OE2 GLU B 110 6.384 -5.356 -6.276 1.00 0.00 O1- ATOM 0 H GLU B 110 10.525 -7.838 -5.141 1.00 0.00 H new ATOM 0 HA GLU B 110 9.371 -6.181 -7.275 1.00 0.00 H new ATOM 0 HB2 GLU B 110 9.637 -5.407 -4.449 1.00 0.00 H new ATOM 0 HB3 GLU B 110 10.567 -4.354 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU B 110 8.491 -3.285 -5.345 1.00 0.00 H new ATOM 0 HG3 GLU B 110 8.420 -4.097 -6.897 1.00 0.00 H new ATOM 1842 N PRO B 111 11.818 -5.212 -7.864 1.00 0.00 N ATOM 1843 CA PRO B 111 13.185 -5.038 -8.445 1.00 0.00 C ATOM 1844 C PRO B 111 14.371 -5.131 -7.458 1.00 0.00 C ATOM 1845 O PRO B 111 14.192 -5.126 -6.239 1.00 0.00 O ATOM 1846 CB PRO B 111 13.108 -3.633 -9.041 1.00 0.00 C ATOM 1847 CG PRO B 111 11.707 -3.515 -9.512 1.00 0.00 C ATOM 1848 CD PRO B 111 10.869 -4.250 -8.499 1.00 0.00 C ATOM 0 HA PRO B 111 13.400 -5.849 -9.141 1.00 0.00 H new ATOM 0 HB2 PRO B 111 13.344 -2.871 -8.298 1.00 0.00 H new ATOM 0 HB3 PRO B 111 13.816 -3.509 -9.861 1.00 0.00 H new ATOM 0 HG2 PRO B 111 11.406 -2.470 -9.584 1.00 0.00 H new ATOM 0 HG3 PRO B 111 11.591 -3.950 -10.505 1.00 0.00 H new ATOM 0 HD2 PRO B 111 10.444 -3.567 -7.764 1.00 0.00 H new ATOM 0 HD3 PRO B 111 10.035 -4.768 -8.973 1.00 0.00 H new ATOM 1856 N TYR B 112 15.588 -5.181 -8.043 1.00 0.00 N ATOM 1857 CA TYR B 112 16.872 -5.309 -7.317 1.00 0.00 C ATOM 1858 C TYR B 112 17.101 -4.221 -6.239 1.00 0.00 C ATOM 1859 O TYR B 112 17.416 -4.549 -5.092 1.00 0.00 O ATOM 1860 CB TYR B 112 18.016 -5.308 -8.359 1.00 0.00 C ATOM 1861 CG TYR B 112 19.429 -5.453 -7.805 1.00 0.00 C ATOM 1862 CD1 TYR B 112 19.849 -6.621 -7.174 1.00 0.00 C ATOM 1863 CD2 TYR B 112 20.343 -4.416 -7.934 1.00 0.00 C ATOM 1864 CE1 TYR B 112 21.136 -6.746 -6.687 1.00 0.00 C ATOM 1865 CE2 TYR B 112 21.629 -4.534 -7.449 1.00 0.00 C ATOM 1866 CZ TYR B 112 22.021 -5.700 -6.827 1.00 0.00 C ATOM 1867 OH TYR B 112 23.304 -5.820 -6.343 1.00 0.00 O ATOM 0 H TYR B 112 15.708 -5.132 -9.055 1.00 0.00 H new ATOM 0 HA TYR B 112 16.848 -6.247 -6.762 1.00 0.00 H new ATOM 0 HB2 TYR B 112 17.839 -6.121 -9.064 1.00 0.00 H new ATOM 0 HB3 TYR B 112 17.963 -4.378 -8.925 1.00 0.00 H new ATOM 0 HD1 TYR B 112 19.157 -7.443 -7.063 1.00 0.00 H new ATOM 0 HD2 TYR B 112 20.042 -3.501 -8.423 1.00 0.00 H new ATOM 0 HE1 TYR B 112 21.446 -7.658 -6.199 1.00 0.00 H new ATOM 0 HE2 TYR B 112 22.326 -3.716 -7.556 1.00 0.00 H new ATOM 0 HH TYR B 112 23.912 -5.280 -6.890 1.00 0.00 H new ATOM 1877 N CYS B 113 16.953 -2.940 -6.617 1.00 0.00 N ATOM 1878 CA CYS B 113 17.152 -1.797 -5.695 1.00 0.00 C ATOM 1879 C CYS B 113 16.254 -1.887 -4.447 1.00 0.00 C ATOM 1880 O CYS B 113 16.687 -1.621 -3.308 1.00 0.00 O ATOM 1881 CB CYS B 113 16.891 -0.480 -6.430 1.00 0.00 C ATOM 1882 SG CYS B 113 15.228 -0.335 -7.125 1.00 0.00 S ATOM 0 H CYS B 113 16.694 -2.663 -7.564 1.00 0.00 H new ATOM 0 HA CYS B 113 18.187 -1.833 -5.355 1.00 0.00 H new ATOM 0 HB2 CYS B 113 17.057 0.347 -5.740 1.00 0.00 H new ATOM 0 HB3 CYS B 113 17.619 -0.376 -7.234 1.00 0.00 H new ATOM 0 HG CYS B 113 15.106 0.813 -7.723 1.00 0.00 H new ATOM 1888 N ARG B 114 15.009 -2.312 -4.680 1.00 0.00 N ATOM 1889 CA ARG B 114 14.006 -2.436 -3.650 1.00 0.00 C ATOM 1890 C ARG B 114 14.369 -3.649 -2.794 1.00 0.00 C ATOM 1891 O ARG B 114 14.253 -3.645 -1.566 1.00 0.00 O ATOM 1892 CB ARG B 114 12.601 -2.553 -4.292 1.00 0.00 C ATOM 1893 CG ARG B 114 12.231 -1.375 -5.198 1.00 0.00 C ATOM 1894 CD ARG B 114 10.738 -1.322 -5.511 1.00 0.00 C ATOM 1895 NE ARG B 114 10.410 -0.230 -6.435 1.00 0.00 N ATOM 1896 CZ ARG B 114 9.372 -0.234 -7.284 1.00 0.00 C ATOM 1897 NH1 ARG B 114 8.535 -1.269 -7.345 1.00 0.00 N1+ ATOM 1898 NH2 ARG B 114 9.175 0.805 -8.084 1.00 0.00 N ATOM 0 H ARG B 114 14.677 -2.580 -5.607 1.00 0.00 H new ATOM 0 HA ARG B 114 13.977 -1.554 -3.010 1.00 0.00 H new ATOM 0 HB2 ARG B 114 12.554 -3.474 -4.873 1.00 0.00 H new ATOM 0 HB3 ARG B 114 11.857 -2.637 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG B 114 12.531 -0.444 -4.718 1.00 0.00 H new ATOM 0 HG3 ARG B 114 12.792 -1.448 -6.130 1.00 0.00 H new ATOM 0 HD2 ARG B 114 10.424 -2.271 -5.945 1.00 0.00 H new ATOM 0 HD3 ARG B 114 10.177 -1.194 -4.585 1.00 0.00 H new ATOM 0 HE ARG B 114 11.015 0.591 -6.431 1.00 0.00 H new ATOM 0 HH11 ARG B 114 8.678 -2.077 -6.739 1.00 0.00 H new ATOM 0 HH12 ARG B 114 7.751 -1.253 -7.997 1.00 0.00 H new ATOM 0 HH21 ARG B 114 9.811 1.602 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG B 114 8.387 0.808 -8.732 1.00 0.00 H new ATOM 1912 N ASP B 115 14.825 -4.687 -3.494 1.00 0.00 N ATOM 1913 CA ASP B 115 15.278 -5.936 -2.898 1.00 0.00 C ATOM 1914 C ASP B 115 16.363 -5.739 -1.833 1.00 0.00 C ATOM 1915 O ASP B 115 16.338 -6.395 -0.805 1.00 0.00 O ATOM 1916 CB ASP B 115 15.813 -6.887 -3.975 1.00 0.00 C ATOM 1917 CG ASP B 115 14.714 -7.614 -4.735 1.00 0.00 C ATOM 1918 OD1 ASP B 115 13.778 -8.133 -4.087 1.00 0.00 O ATOM 1919 OD2 ASP B 115 14.800 -7.679 -5.978 1.00 0.00 O1- ATOM 0 H ASP B 115 14.890 -4.680 -4.512 1.00 0.00 H new ATOM 0 HA ASP B 115 14.404 -6.365 -2.409 1.00 0.00 H new ATOM 0 HB2 ASP B 115 16.420 -6.320 -4.681 1.00 0.00 H new ATOM 0 HB3 ASP B 115 16.469 -7.621 -3.508 1.00 0.00 H new ATOM 1924 N ILE B 116 17.281 -4.794 -2.078 1.00 0.00 N ATOM 1925 CA ILE B 116 18.461 -4.633 -1.222 1.00 0.00 C ATOM 1926 C ILE B 116 18.184 -3.926 0.085 1.00 0.00 C ATOM 1927 O ILE B 116 18.582 -4.405 1.134 1.00 0.00 O ATOM 1928 CB ILE B 116 19.681 -3.977 -1.940 1.00 0.00 C ATOM 1929 CG1 ILE B 116 19.308 -2.683 -2.684 1.00 0.00 C ATOM 1930 CG2 ILE B 116 20.315 -4.981 -2.900 1.00 0.00 C ATOM 1931 CD1 ILE B 116 20.397 -1.627 -2.662 1.00 0.00 C ATOM 0 H ILE B 116 17.229 -4.135 -2.855 1.00 0.00 H new ATOM 0 HA ILE B 116 18.733 -5.662 -0.985 1.00 0.00 H new ATOM 0 HB ILE B 116 20.400 -3.697 -1.170 1.00 0.00 H new ATOM 0 HG12 ILE B 116 19.072 -2.926 -3.720 1.00 0.00 H new ATOM 0 HG13 ILE B 116 18.403 -2.268 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE B 116 21.167 -4.519 -3.399 1.00 0.00 H new ATOM 0 HG22 ILE B 116 20.652 -5.855 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE B 116 19.580 -5.287 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE B 116 20.060 -0.745 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE B 116 20.618 -1.354 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE B 116 21.297 -2.022 -3.133 1.00 0.00 H new ATOM 1943 N ASN B 117 17.494 -2.792 0.017 1.00 0.00 N ATOM 1944 CA ASN B 117 17.242 -1.995 1.222 1.00 0.00 C ATOM 1945 C ASN B 117 16.264 -2.630 2.233 1.00 0.00 C ATOM 1946 O ASN B 117 16.499 -2.514 3.416 1.00 0.00 O ATOM 1947 CB ASN B 117 16.878 -0.571 0.855 1.00 0.00 C ATOM 1948 CG ASN B 117 18.065 0.169 0.271 1.00 0.00 C ATOM 1949 OD1 ASN B 117 18.819 0.827 0.987 1.00 0.00 O ATOM 1950 ND2 ASN B 117 18.237 0.056 -1.043 1.00 0.00 N ATOM 0 H ASN B 117 17.103 -2.405 -0.842 1.00 0.00 H new ATOM 0 HA ASN B 117 18.184 -1.975 1.770 1.00 0.00 H new ATOM 0 HB2 ASN B 117 16.060 -0.577 0.134 1.00 0.00 H new ATOM 0 HB3 ASN B 117 16.519 -0.046 1.740 1.00 0.00 H new ATOM 0 HD21 ASN B 117 19.020 0.526 -1.497 1.00 0.00 H new ATOM 0 HD22 ASN B 117 17.586 -0.501 -1.597 1.00 0.00 H new ATOM 1957 N GLN B 118 15.157 -3.271 1.820 1.00 0.00 N ATOM 1958 CA GLN B 118 14.271 -3.920 2.822 1.00 0.00 C ATOM 1959 C GLN B 118 14.980 -5.155 3.341 1.00 0.00 C ATOM 1960 O GLN B 118 15.023 -5.411 4.546 1.00 0.00 O ATOM 1961 CB GLN B 118 12.876 -4.284 2.258 1.00 0.00 C ATOM 1962 CG GLN B 118 12.318 -5.672 2.649 1.00 0.00 C ATOM 1963 CD GLN B 118 11.922 -5.828 4.117 1.00 0.00 C ATOM 1964 OE1 GLN B 118 11.979 -6.930 4.663 1.00 0.00 O ATOM 1965 NE2 GLN B 118 11.528 -4.740 4.764 1.00 0.00 N ATOM 0 H GLN B 118 14.857 -3.357 0.849 1.00 0.00 H new ATOM 0 HA GLN B 118 14.083 -3.210 3.627 1.00 0.00 H new ATOM 0 HB2 GLN B 118 12.166 -3.525 2.587 1.00 0.00 H new ATOM 0 HB3 GLN B 118 12.922 -4.228 1.170 1.00 0.00 H new ATOM 0 HG2 GLN B 118 11.445 -5.882 2.030 1.00 0.00 H new ATOM 0 HG3 GLN B 118 13.067 -6.427 2.410 1.00 0.00 H new ATOM 0 HE21 GLN B 118 11.493 -3.843 4.279 1.00 0.00 H new ATOM 0 HE22 GLN B 118 11.260 -4.800 5.746 1.00 0.00 H new ATOM 1974 N LEU B 119 15.534 -5.903 2.385 1.00 0.00 N ATOM 1975 CA LEU B 119 16.286 -7.107 2.652 1.00 0.00 C ATOM 1976 C LEU B 119 17.457 -6.776 3.572 1.00 0.00 C ATOM 1977 O LEU B 119 17.497 -7.225 4.717 1.00 0.00 O ATOM 1978 CB LEU B 119 16.751 -7.669 1.299 1.00 0.00 C ATOM 1979 CG LEU B 119 17.693 -8.892 1.325 1.00 0.00 C ATOM 1980 CD1 LEU B 119 16.935 -10.178 1.637 1.00 0.00 C ATOM 1981 CD2 LEU B 119 18.429 -9.019 -0.001 1.00 0.00 C ATOM 0 H LEU B 119 15.466 -5.677 1.393 1.00 0.00 H new ATOM 0 HA LEU B 119 15.682 -7.859 3.160 1.00 0.00 H new ATOM 0 HB2 LEU B 119 15.865 -7.938 0.723 1.00 0.00 H new ATOM 0 HB3 LEU B 119 17.253 -6.868 0.756 1.00 0.00 H new ATOM 0 HG LEU B 119 18.420 -8.735 2.122 1.00 0.00 H new ATOM 0 HD11 LEU B 119 17.631 -11.017 1.647 1.00 0.00 H new ATOM 0 HD12 LEU B 119 16.457 -10.091 2.613 1.00 0.00 H new ATOM 0 HD13 LEU B 119 16.174 -10.346 0.875 1.00 0.00 H new ATOM 0 HD21 LEU B 119 19.090 -9.885 0.031 1.00 0.00 H new ATOM 0 HD22 LEU B 119 17.707 -9.143 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU B 119 19.019 -8.119 -0.177 1.00 0.00 H new ATOM 1993 N SER B 120 18.361 -5.919 3.089 1.00 0.00 N ATOM 1994 CA SER B 120 19.518 -5.521 3.878 1.00 0.00 C ATOM 1995 C SER B 120 19.132 -4.582 5.023 1.00 0.00 C ATOM 1996 O SER B 120 19.507 -4.844 6.168 1.00 0.00 O ATOM 1997 CB SER B 120 20.598 -4.871 3.005 1.00 0.00 C ATOM 1998 OG SER B 120 21.055 -5.767 2.006 1.00 0.00 O ATOM 0 H SER B 120 18.311 -5.494 2.163 1.00 0.00 H new ATOM 0 HA SER B 120 19.927 -6.434 4.312 1.00 0.00 H new ATOM 0 HB2 SER B 120 20.198 -3.972 2.536 1.00 0.00 H new ATOM 0 HB3 SER B 120 21.436 -4.560 3.629 1.00 0.00 H new ATOM 0 HG SER B 120 20.446 -5.740 1.239 1.00 0.00 H new ATOM 2004 N GLU B 121 18.372 -3.500 4.739 1.00 0.00 N ATOM 2005 CA GLU B 121 18.032 -2.546 5.802 1.00 0.00 C ATOM 2006 C GLU B 121 16.932 -3.029 6.755 1.00 0.00 C ATOM 2007 O GLU B 121 17.215 -3.198 7.945 1.00 0.00 O ATOM 2008 CB GLU B 121 17.741 -1.164 5.233 1.00 0.00 C ATOM 2009 CG GLU B 121 18.993 -0.403 4.834 1.00 0.00 C ATOM 2010 CD GLU B 121 19.642 0.327 5.998 1.00 0.00 C ATOM 2011 OE1 GLU B 121 20.505 -0.278 6.671 1.00 0.00 O ATOM 2012 OE2 GLU B 121 19.288 1.500 6.235 1.00 0.00 O1- ATOM 0 H GLU B 121 17.998 -3.276 3.817 1.00 0.00 H new ATOM 0 HA GLU B 121 18.921 -2.471 6.428 1.00 0.00 H new ATOM 0 HB2 GLU B 121 17.093 -1.266 4.362 1.00 0.00 H new ATOM 0 HB3 GLU B 121 17.191 -0.582 5.973 1.00 0.00 H new ATOM 0 HG2 GLU B 121 19.712 -1.099 4.403 1.00 0.00 H new ATOM 0 HG3 GLU B 121 18.741 0.318 4.056 1.00 0.00 H new ATOM 2019 N ALA B 122 15.677 -3.259 6.272 1.00 0.00 N ATOM 2020 CA ALA B 122 14.616 -3.726 7.188 1.00 0.00 C ATOM 2021 C ALA B 122 14.890 -5.080 7.873 1.00 0.00 C ATOM 2022 O ALA B 122 14.609 -5.212 9.066 1.00 0.00 O ATOM 2023 CB ALA B 122 13.284 -3.758 6.489 1.00 0.00 C ATOM 0 H ALA B 122 15.392 -3.134 5.301 1.00 0.00 H new ATOM 0 HA ALA B 122 14.603 -2.992 7.994 1.00 0.00 H new ATOM 0 HB1 ALA B 122 12.518 -4.105 7.182 1.00 0.00 H new ATOM 0 HB2 ALA B 122 13.032 -2.756 6.141 1.00 0.00 H new ATOM 0 HB3 ALA B 122 13.336 -4.436 5.637 1.00 0.00 H new ATOM 2029 N LEU B 123 15.442 -6.079 7.153 1.00 0.00 N ATOM 2030 CA LEU B 123 15.683 -7.407 7.754 1.00 0.00 C ATOM 2031 C LEU B 123 16.801 -7.388 8.809 1.00 0.00 C ATOM 2032 O LEU B 123 16.667 -8.027 9.856 1.00 0.00 O ATOM 2033 CB LEU B 123 15.986 -8.452 6.671 1.00 0.00 C ATOM 2034 CG LEU B 123 15.627 -9.906 7.016 1.00 0.00 C ATOM 2035 CD1 LEU B 123 15.219 -10.662 5.761 1.00 0.00 C ATOM 2036 CD2 LEU B 123 16.796 -10.607 7.696 1.00 0.00 C ATOM 0 H LEU B 123 15.724 -5.995 6.176 1.00 0.00 H new ATOM 0 HA LEU B 123 14.763 -7.685 8.268 1.00 0.00 H new ATOM 0 HB2 LEU B 123 15.450 -8.172 5.764 1.00 0.00 H new ATOM 0 HB3 LEU B 123 17.050 -8.407 6.439 1.00 0.00 H new ATOM 0 HG LEU B 123 14.786 -9.893 7.709 1.00 0.00 H new ATOM 0 HD11 LEU B 123 14.968 -11.690 6.021 1.00 0.00 H new ATOM 0 HD12 LEU B 123 14.351 -10.179 5.311 1.00 0.00 H new ATOM 0 HD13 LEU B 123 16.045 -10.659 5.050 1.00 0.00 H new ATOM 0 HD21 LEU B 123 16.518 -11.634 7.930 1.00 0.00 H new ATOM 0 HD22 LEU B 123 17.658 -10.608 7.029 1.00 0.00 H new ATOM 0 HD23 LEU B 123 17.050 -10.081 8.616 1.00 0.00 H new ATOM 2048 N LEU B 124 17.896 -6.658 8.534 1.00 0.00 N ATOM 2049 CA LEU B 124 19.033 -6.575 9.468 1.00 0.00 C ATOM 2050 C LEU B 124 18.702 -5.726 10.707 1.00 0.00 C ATOM 2051 O LEU B 124 19.074 -6.088 11.827 1.00 0.00 O ATOM 2052 CB LEU B 124 20.271 -6.009 8.755 1.00 0.00 C ATOM 2053 CG LEU B 124 21.631 -6.426 9.338 1.00 0.00 C ATOM 2054 CD1 LEU B 124 22.675 -6.512 8.235 1.00 0.00 C ATOM 2055 CD2 LEU B 124 22.084 -5.446 10.413 1.00 0.00 C ATOM 0 H LEU B 124 18.018 -6.119 7.677 1.00 0.00 H new ATOM 0 HA LEU B 124 19.245 -7.588 9.810 1.00 0.00 H new ATOM 0 HB2 LEU B 124 20.236 -6.316 7.710 1.00 0.00 H new ATOM 0 HB3 LEU B 124 20.209 -4.921 8.770 1.00 0.00 H new ATOM 0 HG LEU B 124 21.518 -7.409 9.795 1.00 0.00 H new ATOM 0 HD11 LEU B 124 23.633 -6.808 8.663 1.00 0.00 H new ATOM 0 HD12 LEU B 124 22.364 -7.250 7.496 1.00 0.00 H new ATOM 0 HD13 LEU B 124 22.778 -5.539 7.755 1.00 0.00 H new ATOM 0 HD21 LEU B 124 23.048 -5.762 10.810 1.00 0.00 H new ATOM 0 HD22 LEU B 124 22.179 -4.450 9.981 1.00 0.00 H new ATOM 0 HD23 LEU B 124 21.349 -5.424 11.218 1.00 0.00 H new ATOM 2067 N SER B 125 18.001 -4.601 10.492 1.00 0.00 N ATOM 2068 CA SER B 125 17.627 -3.675 11.574 1.00 0.00 C ATOM 2069 C SER B 125 16.532 -4.243 12.493 1.00 0.00 C ATOM 2070 O SER B 125 16.610 -4.092 13.716 1.00 0.00 O ATOM 2071 CB SER B 125 17.165 -2.341 10.985 1.00 0.00 C ATOM 2072 OG SER B 125 18.195 -1.739 10.218 1.00 0.00 O ATOM 0 H SER B 125 17.679 -4.309 9.569 1.00 0.00 H new ATOM 0 HA SER B 125 18.517 -3.527 12.186 1.00 0.00 H new ATOM 0 HB2 SER B 125 16.287 -2.501 10.359 1.00 0.00 H new ATOM 0 HB3 SER B 125 16.866 -1.669 11.789 1.00 0.00 H new ATOM 0 HG SER B 125 18.142 -2.057 9.293 1.00 0.00 H new ATOM 2078 N LEU B 126 15.517 -4.893 11.897 1.00 0.00 N ATOM 2079 CA LEU B 126 14.397 -5.476 12.657 1.00 0.00 C ATOM 2080 C LEU B 126 14.803 -6.734 13.437 1.00 0.00 C ATOM 2081 O LEU B 126 14.390 -6.910 14.587 1.00 0.00 O ATOM 2082 CB LEU B 126 13.219 -5.801 11.725 1.00 0.00 C ATOM 2083 CG LEU B 126 12.449 -4.591 11.173 1.00 0.00 C ATOM 2084 CD1 LEU B 126 11.694 -4.976 9.910 1.00 0.00 C ATOM 2085 CD2 LEU B 126 11.476 -4.038 12.212 1.00 0.00 C ATOM 0 H LEU B 126 15.449 -5.028 10.888 1.00 0.00 H new ATOM 0 HA LEU B 126 14.092 -4.723 13.384 1.00 0.00 H new ATOM 0 HB2 LEU B 126 13.596 -6.383 10.884 1.00 0.00 H new ATOM 0 HB3 LEU B 126 12.518 -6.438 12.265 1.00 0.00 H new ATOM 0 HG LEU B 126 13.174 -3.813 10.933 1.00 0.00 H new ATOM 0 HD11 LEU B 126 11.153 -4.109 9.531 1.00 0.00 H new ATOM 0 HD12 LEU B 126 12.400 -5.322 9.155 1.00 0.00 H new ATOM 0 HD13 LEU B 126 10.987 -5.773 10.138 1.00 0.00 H new ATOM 0 HD21 LEU B 126 10.945 -3.183 11.794 1.00 0.00 H new ATOM 0 HD22 LEU B 126 10.759 -4.811 12.487 1.00 0.00 H new ATOM 0 HD23 LEU B 126 12.029 -3.725 13.098 1.00 0.00 H new ATOM 2097 N ASN B 127 15.612 -7.602 12.806 1.00 0.00 N ATOM 2098 CA ASN B 127 16.070 -8.853 13.430 1.00 0.00 C ATOM 2099 C ASN B 127 17.105 -8.592 14.537 1.00 0.00 C ATOM 2100 O ASN B 127 16.944 -9.074 15.663 1.00 0.00 O ATOM 2101 CB ASN B 127 16.648 -9.794 12.361 1.00 0.00 C ATOM 2102 CG ASN B 127 16.547 -11.260 12.751 1.00 0.00 C ATOM 2103 OD1 ASN B 127 17.450 -11.809 13.382 1.00 0.00 O ATOM 2104 ND2 ASN B 127 15.444 -11.898 12.373 1.00 0.00 N ATOM 0 H ASN B 127 15.963 -7.458 11.859 1.00 0.00 H new ATOM 0 HA ASN B 127 15.208 -9.329 13.897 1.00 0.00 H new ATOM 0 HB2 ASN B 127 16.121 -9.636 11.420 1.00 0.00 H new ATOM 0 HB3 ASN B 127 17.694 -9.540 12.187 1.00 0.00 H new ATOM 0 HD21 ASN B 127 15.320 -12.884 12.605 1.00 0.00 H new ATOM 0 HD22 ASN B 127 14.721 -11.402 11.851 1.00 0.00 H new ATOM 2111 N PHE B 128 18.161 -7.830 14.207 1.00 0.00 N ATOM 2112 CA PHE B 128 19.227 -7.494 15.163 1.00 0.00 C ATOM 2113 C PHE B 128 18.754 -6.470 16.203 1.00 0.00 C ATOM 2114 O PHE B 128 18.756 -6.809 17.406 1.00 0.00 O ATOM 2115 CB PHE B 128 20.466 -6.971 14.427 1.00 0.00 C ATOM 2116 CG PHE B 128 21.240 -8.042 13.711 1.00 0.00 C ATOM 2117 CD1 PHE B 128 20.943 -8.373 12.399 1.00 0.00 C ATOM 2118 CD2 PHE B 128 22.266 -8.720 14.352 1.00 0.00 C ATOM 2119 CE1 PHE B 128 21.653 -9.357 11.739 1.00 0.00 C ATOM 2120 CE2 PHE B 128 22.980 -9.706 13.697 1.00 0.00 C ATOM 2121 CZ PHE B 128 22.673 -10.025 12.388 1.00 0.00 C ATOM 2122 OXT PHE B 128 18.378 -5.346 15.805 1.00 0.00 O1- ATOM 0 H PHE B 128 18.299 -7.433 13.278 1.00 0.00 H new ATOM 0 HA PHE B 128 19.491 -8.409 15.693 1.00 0.00 H new ATOM 0 HB2 PHE B 128 20.157 -6.215 13.706 1.00 0.00 H new ATOM 0 HB3 PHE B 128 21.123 -6.478 15.144 1.00 0.00 H new ATOM 0 HD1 PHE B 128 20.146 -7.855 11.886 1.00 0.00 H new ATOM 0 HD2 PHE B 128 22.510 -8.475 15.375 1.00 0.00 H new ATOM 0 HE1 PHE B 128 21.411 -9.604 10.716 1.00 0.00 H new ATOM 0 HE2 PHE B 128 23.777 -10.226 14.208 1.00 0.00 H new ATOM 0 HZ PHE B 128 23.229 -10.795 11.874 1.00 0.00 H new