USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 LYS NZ :NH3+ -136:sc= -0.084 (180deg=-0.466) USER MOD Set 1.2: A 25 THR OG1 : rot 80:sc= 0.921 USER MOD Set 2.1: A 14 CYS SG : rot 99:sc= -0.828 USER MOD Set 2.2: A 17 CYS SG : rot -67:sc= 0.717 USER MOD Single : A 1 MET CE :methyl -167:sc= -1.78 (180deg=-2.31!) USER MOD Single : A 1 MET N :NH3+ 136:sc= -1.46 (180deg=-2.51!) USER MOD Single : A 3 LYS NZ :NH3+ -150:sc= 0.806 (180deg=0.297) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -9:sc= 1.01! USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0804 X(o=-0.08,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.0705 X(o=-0.071,f=-0.22) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -3.22 K(o=-3.2,f=-2.6) USER MOD Single : A 35 ASN : amide:sc= -0.327 K(o=-0.33,f=-0.95) USER MOD Single : A 37 MET CE :methyl -118:sc= -1.61 (180deg=-5.85!) USER MOD Single : A 40 LYS NZ :NH3+ 130:sc= -0.273 (180deg=-1.36) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.475 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -127:sc= -0.454 (180deg=-4.89!) USER MOD Single : A 67 GLN : amide:sc= -1.93! C(o=-1.9!,f=-3.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-3.9!) USER MOD Single : A 81 GLN : amide:sc= -0.263 K(o=-0.26,f=-1.9!) USER MOD Single : A 85 TYR OH : rot 165:sc= -0.451 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.376 -1.013 12.548 1.00 0.00 N ATOM 2 CA MET A 1 3.637 -1.931 11.643 1.00 0.00 C ATOM 3 C MET A 1 3.661 -1.419 10.208 1.00 0.00 C ATOM 4 O MET A 1 3.869 -0.232 9.968 1.00 0.00 O ATOM 5 CB MET A 1 2.203 -2.044 12.165 1.00 0.00 C ATOM 6 CG MET A 1 1.218 -2.681 11.210 1.00 0.00 C ATOM 7 SD MET A 1 -0.496 -2.377 11.678 1.00 0.00 S ATOM 8 CE MET A 1 -0.653 -0.638 11.279 1.00 0.00 C ATOM 0 H1 MET A 1 3.829 -0.871 13.421 1.00 0.00 H new ATOM 0 H2 MET A 1 5.301 -1.427 12.783 1.00 0.00 H new ATOM 0 H3 MET A 1 4.517 -0.098 12.075 1.00 0.00 H new ATOM 0 HA MET A 1 4.110 -2.913 11.634 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.214 -2.622 13.089 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.846 -1.046 12.418 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.390 -2.295 10.205 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.396 -3.756 11.174 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.569 -0.245 11.720 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.204 -0.094 11.678 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.689 -0.515 10.197 1.00 0.00 H new ATOM 20 N PHE A 2 3.456 -2.317 9.254 1.00 0.00 N ATOM 21 CA PHE A 2 3.465 -1.934 7.851 1.00 0.00 C ATOM 22 C PHE A 2 2.134 -1.317 7.462 1.00 0.00 C ATOM 23 O PHE A 2 1.108 -1.576 8.091 1.00 0.00 O ATOM 24 CB PHE A 2 3.782 -3.136 6.966 1.00 0.00 C ATOM 25 CG PHE A 2 5.201 -3.602 7.089 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.562 -4.495 8.080 1.00 0.00 C ATOM 27 CD2 PHE A 2 6.170 -3.146 6.214 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.865 -4.928 8.195 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.476 -3.575 6.325 1.00 0.00 C ATOM 30 CZ PHE A 2 7.823 -4.469 7.318 1.00 0.00 C ATOM 0 H PHE A 2 3.283 -3.308 9.425 1.00 0.00 H new ATOM 0 HA PHE A 2 4.246 -1.189 7.702 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.113 -3.957 7.226 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.580 -2.877 5.927 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.815 -4.857 8.771 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.901 -2.447 5.436 1.00 0.00 H new ATOM 0 HE1 PHE A 2 7.135 -5.627 8.973 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.225 -3.212 5.637 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.844 -4.808 7.407 1.00 0.00 H new ATOM 40 N LYS A 3 2.161 -0.483 6.434 1.00 0.00 N ATOM 41 CA LYS A 3 0.961 0.195 5.975 1.00 0.00 C ATOM 42 C LYS A 3 0.883 0.202 4.458 1.00 0.00 C ATOM 43 O LYS A 3 1.795 0.677 3.790 1.00 0.00 O ATOM 44 CB LYS A 3 0.962 1.632 6.488 1.00 0.00 C ATOM 45 CG LYS A 3 0.351 1.789 7.869 1.00 0.00 C ATOM 46 CD LYS A 3 1.310 1.311 8.949 1.00 0.00 C ATOM 47 CE LYS A 3 1.453 2.332 10.065 1.00 0.00 C ATOM 48 NZ LYS A 3 2.865 2.462 10.520 1.00 0.00 N ATOM 0 H LYS A 3 3.002 -0.260 5.902 1.00 0.00 H new ATOM 0 HA LYS A 3 0.095 -0.341 6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.988 1.999 6.511 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.414 2.260 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.097 2.835 8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.578 1.222 7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.952 0.368 9.362 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.287 1.115 8.507 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.092 3.301 9.719 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.825 2.040 10.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.883 2.725 11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.356 1.555 10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.343 3.198 9.962 1.00 0.00 H new ATOM 62 N VAL A 4 -0.210 -0.317 3.911 1.00 0.00 N ATOM 63 CA VAL A 4 -0.378 -0.341 2.464 1.00 0.00 C ATOM 64 C VAL A 4 -1.430 0.661 2.005 1.00 0.00 C ATOM 65 O VAL A 4 -2.469 0.830 2.640 1.00 0.00 O ATOM 66 CB VAL A 4 -0.772 -1.739 1.940 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.195 -1.665 0.479 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.378 -2.713 2.096 1.00 0.00 C ATOM 0 H VAL A 4 -0.983 -0.722 4.439 1.00 0.00 H new ATOM 0 HA VAL A 4 0.594 -0.070 2.051 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.615 -2.095 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.469 -2.660 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.051 -0.998 0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.368 -1.284 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.079 -3.692 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.238 -2.354 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.645 -2.794 3.150 1.00 0.00 H new ATOM 78 N TYR A 5 -1.156 1.296 0.872 1.00 0.00 N ATOM 79 CA TYR A 5 -2.072 2.261 0.283 1.00 0.00 C ATOM 80 C TYR A 5 -2.413 1.833 -1.138 1.00 0.00 C ATOM 81 O TYR A 5 -1.624 2.035 -2.058 1.00 0.00 O ATOM 82 CB TYR A 5 -1.457 3.660 0.262 1.00 0.00 C ATOM 83 CG TYR A 5 -1.324 4.303 1.625 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.595 3.694 2.636 1.00 0.00 C ATOM 85 CD2 TYR A 5 -1.915 5.532 1.891 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.461 4.288 3.876 1.00 0.00 C ATOM 87 CE2 TYR A 5 -1.782 6.135 3.127 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.054 5.509 4.115 1.00 0.00 C ATOM 89 OH TYR A 5 -0.919 6.106 5.348 1.00 0.00 O ATOM 0 H TYR A 5 -0.297 1.157 0.339 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.977 2.293 0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.470 3.603 -0.198 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.068 4.303 -0.372 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.124 2.740 2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.488 6.024 1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.106 3.798 4.654 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.246 7.091 3.317 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.396 6.962 5.351 1.00 0.00 H new ATOM 99 N GLY A 6 -3.579 1.226 -1.312 1.00 0.00 N ATOM 100 CA GLY A 6 -3.980 0.774 -2.627 1.00 0.00 C ATOM 101 C GLY A 6 -5.469 0.527 -2.722 1.00 0.00 C ATOM 102 O GLY A 6 -6.270 1.298 -2.195 1.00 0.00 O ATOM 0 H GLY A 6 -4.252 1.039 -0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.690 1.519 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.446 -0.144 -2.871 1.00 0.00 H new ATOM 106 N TYR A 7 -5.840 -0.551 -3.399 1.00 0.00 N ATOM 107 CA TYR A 7 -7.236 -0.906 -3.571 1.00 0.00 C ATOM 108 C TYR A 7 -7.580 -2.164 -2.777 1.00 0.00 C ATOM 109 O TYR A 7 -6.697 -2.937 -2.409 1.00 0.00 O ATOM 110 CB TYR A 7 -7.525 -1.123 -5.052 1.00 0.00 C ATOM 111 CG TYR A 7 -7.450 0.143 -5.876 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.437 1.116 -5.783 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.390 0.364 -6.746 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.369 2.274 -6.535 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.316 1.519 -7.502 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.307 2.469 -7.393 1.00 0.00 C ATOM 117 OH TYR A 7 -7.236 3.617 -8.148 1.00 0.00 O ATOM 0 H TYR A 7 -5.186 -1.197 -3.840 1.00 0.00 H new ATOM 0 HA TYR A 7 -7.854 -0.091 -3.195 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.815 -1.848 -5.450 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.519 -1.558 -5.160 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.270 0.965 -5.113 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.611 -0.379 -6.833 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.143 3.022 -6.451 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.486 1.675 -8.174 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.077 4.114 -8.068 1.00 0.00 H new ATOM 127 N ASP A 8 -8.868 -2.363 -2.513 1.00 0.00 N ATOM 128 CA ASP A 8 -9.317 -3.529 -1.763 1.00 0.00 C ATOM 129 C ASP A 8 -9.362 -4.763 -2.660 1.00 0.00 C ATOM 130 O ASP A 8 -8.459 -5.597 -2.622 1.00 0.00 O ATOM 131 CB ASP A 8 -10.697 -3.272 -1.147 1.00 0.00 C ATOM 132 CG ASP A 8 -10.618 -2.473 0.141 1.00 0.00 C ATOM 133 OD1 ASP A 8 -9.730 -2.767 0.969 1.00 0.00 O ATOM 134 OD2 ASP A 8 -11.442 -1.551 0.321 1.00 0.00 O ATOM 0 H ASP A 8 -9.616 -1.734 -2.806 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.604 -3.712 -0.959 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.318 -2.737 -1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.187 -4.226 -0.950 1.00 0.00 H new ATOM 139 N SER A 9 -10.417 -4.869 -3.466 1.00 0.00 N ATOM 140 CA SER A 9 -10.585 -5.999 -4.378 1.00 0.00 C ATOM 141 C SER A 9 -12.008 -6.043 -4.925 1.00 0.00 C ATOM 142 O SER A 9 -12.229 -6.417 -6.076 1.00 0.00 O ATOM 143 CB SER A 9 -10.259 -7.322 -3.676 1.00 0.00 C ATOM 144 OG SER A 9 -10.788 -8.424 -4.392 1.00 0.00 O ATOM 0 H SER A 9 -11.171 -4.183 -3.506 1.00 0.00 H new ATOM 0 HA SER A 9 -9.891 -5.863 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.179 -7.431 -3.582 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.667 -7.311 -2.665 1.00 0.00 H new ATOM 0 HG SER A 9 -10.565 -9.256 -3.924 1.00 0.00 H new ATOM 150 N ASN A 10 -12.971 -5.662 -4.092 1.00 0.00 N ATOM 151 CA ASN A 10 -14.373 -5.662 -4.493 1.00 0.00 C ATOM 152 C ASN A 10 -14.743 -4.364 -5.207 1.00 0.00 C ATOM 153 O ASN A 10 -15.707 -4.324 -5.975 1.00 0.00 O ATOM 154 CB ASN A 10 -15.281 -5.872 -3.278 1.00 0.00 C ATOM 155 CG ASN A 10 -15.488 -7.343 -2.969 1.00 0.00 C ATOM 156 OD1 ASN A 10 -16.613 -7.845 -3.003 1.00 0.00 O ATOM 157 ND2 ASN A 10 -14.400 -8.042 -2.670 1.00 0.00 N ATOM 0 H ASN A 10 -12.806 -5.349 -3.135 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.519 -6.488 -5.189 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.845 -5.377 -2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -16.247 -5.401 -3.462 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.475 -9.037 -2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -13.488 -7.585 -2.654 1.00 0.00 H new ATOM 164 N ILE A 11 -13.973 -3.306 -4.961 1.00 0.00 N ATOM 165 CA ILE A 11 -14.228 -2.020 -5.595 1.00 0.00 C ATOM 166 C ILE A 11 -13.443 -1.890 -6.887 1.00 0.00 C ATOM 167 O ILE A 11 -13.962 -1.406 -7.893 1.00 0.00 O ATOM 168 CB ILE A 11 -13.868 -0.836 -4.675 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.520 -0.998 -3.302 1.00 0.00 C ATOM 170 CG2 ILE A 11 -14.294 0.473 -5.315 1.00 0.00 C ATOM 171 CD1 ILE A 11 -16.032 -1.035 -3.344 1.00 0.00 C ATOM 0 H ILE A 11 -13.172 -3.316 -4.330 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.297 -1.986 -5.803 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.787 -0.823 -4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.156 -1.918 -2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -14.204 -0.175 -2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.035 1.302 -4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.782 0.595 -6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.371 0.464 -5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.421 -1.152 -2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.407 -0.105 -3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.359 -1.875 -3.958 1.00 0.00 H new ATOM 183 N HIS A 12 -12.190 -2.322 -6.859 1.00 0.00 N ATOM 184 CA HIS A 12 -11.351 -2.246 -8.037 1.00 0.00 C ATOM 185 C HIS A 12 -10.467 -3.486 -8.130 1.00 0.00 C ATOM 186 O HIS A 12 -10.136 -4.100 -7.114 1.00 0.00 O ATOM 187 CB HIS A 12 -10.506 -0.974 -7.992 1.00 0.00 C ATOM 188 CG HIS A 12 -10.050 -0.494 -9.335 1.00 0.00 C ATOM 189 ND1 HIS A 12 -10.880 -0.377 -10.425 1.00 0.00 N ATOM 190 CD2 HIS A 12 -8.829 -0.069 -9.748 1.00 0.00 C ATOM 191 CE1 HIS A 12 -10.157 0.097 -11.447 1.00 0.00 C ATOM 192 NE2 HIS A 12 -8.905 0.302 -11.090 1.00 0.00 N ATOM 0 H HIS A 12 -11.739 -2.725 -6.038 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.980 -2.209 -8.926 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.084 -0.184 -7.513 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.632 -1.154 -7.366 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.941 -0.025 -9.135 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.549 0.287 -12.435 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.149 0.658 -11.674 1.00 0.00 H new ATOM 200 N LYS A 13 -10.105 -3.858 -9.350 1.00 0.00 N ATOM 201 CA LYS A 13 -9.277 -5.044 -9.580 1.00 0.00 C ATOM 202 C LYS A 13 -7.829 -4.824 -9.139 1.00 0.00 C ATOM 203 O LYS A 13 -7.357 -3.691 -9.073 1.00 0.00 O ATOM 204 CB LYS A 13 -9.318 -5.438 -11.057 1.00 0.00 C ATOM 205 CG LYS A 13 -10.269 -6.588 -11.342 1.00 0.00 C ATOM 206 CD LYS A 13 -9.887 -7.331 -12.611 1.00 0.00 C ATOM 207 CE LYS A 13 -8.835 -8.397 -12.340 1.00 0.00 C ATOM 208 NZ LYS A 13 -9.437 -9.746 -12.148 1.00 0.00 N ATOM 0 H LYS A 13 -10.369 -3.358 -10.199 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.689 -5.852 -8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.616 -4.573 -11.649 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.315 -5.716 -11.381 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.266 -7.280 -10.500 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.285 -6.205 -11.436 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.774 -7.795 -13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.507 -6.623 -13.348 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.131 -8.430 -13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.266 -8.125 -11.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.684 -10.440 -11.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.089 -9.723 -11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.959 -10.018 -13.005 1.00 0.00 H new ATOM 222 N CYS A 14 -7.134 -5.929 -8.843 1.00 0.00 N ATOM 223 CA CYS A 14 -5.735 -5.888 -8.406 1.00 0.00 C ATOM 224 C CYS A 14 -5.284 -7.256 -7.900 1.00 0.00 C ATOM 225 O CYS A 14 -5.673 -7.687 -6.816 1.00 0.00 O ATOM 226 CB CYS A 14 -5.527 -4.850 -7.299 1.00 0.00 C ATOM 227 SG CYS A 14 -6.922 -4.684 -6.159 1.00 0.00 S ATOM 0 H CYS A 14 -7.523 -6.870 -8.899 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.136 -5.606 -9.272 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.637 -5.118 -6.729 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.331 -3.881 -7.758 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.686 -5.373 -5.082 1.00 0.00 H new ATOM 233 N VAL A 15 -4.459 -7.939 -8.688 1.00 0.00 N ATOM 234 CA VAL A 15 -3.958 -9.258 -8.311 1.00 0.00 C ATOM 235 C VAL A 15 -2.647 -9.159 -7.539 1.00 0.00 C ATOM 236 O VAL A 15 -2.358 -9.987 -6.676 1.00 0.00 O ATOM 237 CB VAL A 15 -3.739 -10.145 -9.551 1.00 0.00 C ATOM 238 CG1 VAL A 15 -5.074 -10.540 -10.160 1.00 0.00 C ATOM 239 CG2 VAL A 15 -2.862 -9.431 -10.570 1.00 0.00 C ATOM 0 H VAL A 15 -4.123 -7.602 -9.590 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.716 -9.709 -7.671 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.224 -11.055 -9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.903 -11.167 -11.035 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.659 -11.094 -9.426 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.618 -9.643 -10.456 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.718 -10.073 -11.439 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.345 -8.504 -10.879 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.894 -9.204 -10.122 1.00 0.00 H new ATOM 249 N TYR A 16 -1.852 -8.147 -7.868 1.00 0.00 N ATOM 250 CA TYR A 16 -0.561 -7.938 -7.221 1.00 0.00 C ATOM 251 C TYR A 16 -0.714 -7.710 -5.719 1.00 0.00 C ATOM 252 O TYR A 16 0.166 -8.073 -4.937 1.00 0.00 O ATOM 253 CB TYR A 16 0.154 -6.744 -7.859 1.00 0.00 C ATOM 254 CG TYR A 16 1.329 -7.139 -8.726 1.00 0.00 C ATOM 255 CD1 TYR A 16 1.140 -7.836 -9.912 1.00 0.00 C ATOM 256 CD2 TYR A 16 2.627 -6.813 -8.357 1.00 0.00 C ATOM 257 CE1 TYR A 16 2.212 -8.198 -10.706 1.00 0.00 C ATOM 258 CE2 TYR A 16 3.704 -7.170 -9.144 1.00 0.00 C ATOM 259 CZ TYR A 16 3.492 -7.863 -10.317 1.00 0.00 C ATOM 260 OH TYR A 16 4.562 -8.220 -11.105 1.00 0.00 O ATOM 0 H TYR A 16 -2.080 -7.455 -8.582 1.00 0.00 H new ATOM 0 HA TYR A 16 0.034 -8.840 -7.363 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.560 -6.182 -8.462 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.502 -6.075 -7.072 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.139 -8.100 -10.219 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.797 -6.271 -7.439 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.048 -8.740 -11.626 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.707 -6.908 -8.842 1.00 0.00 H new ATOM 0 HH TYR A 16 5.393 -7.908 -10.689 1.00 0.00 H new ATOM 270 N CYS A 17 -1.826 -7.102 -5.320 1.00 0.00 N ATOM 271 CA CYS A 17 -2.075 -6.830 -3.908 1.00 0.00 C ATOM 272 C CYS A 17 -2.157 -8.128 -3.111 1.00 0.00 C ATOM 273 O CYS A 17 -1.592 -8.236 -2.022 1.00 0.00 O ATOM 274 CB CYS A 17 -3.361 -6.017 -3.735 1.00 0.00 C ATOM 275 SG CYS A 17 -4.876 -6.910 -4.157 1.00 0.00 S ATOM 0 H CYS A 17 -2.565 -6.790 -5.949 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.239 -6.245 -3.524 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.428 -5.683 -2.700 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.297 -5.123 -4.355 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.895 -7.154 -5.434 1.00 0.00 H new ATOM 281 N ASP A 18 -2.858 -9.112 -3.663 1.00 0.00 N ATOM 282 CA ASP A 18 -3.016 -10.406 -3.002 1.00 0.00 C ATOM 283 C ASP A 18 -1.661 -11.024 -2.661 1.00 0.00 C ATOM 284 O ASP A 18 -1.520 -11.718 -1.652 1.00 0.00 O ATOM 285 CB ASP A 18 -3.812 -11.365 -3.891 1.00 0.00 C ATOM 286 CG ASP A 18 -4.135 -12.670 -3.189 1.00 0.00 C ATOM 287 OD1 ASP A 18 -4.655 -12.620 -2.054 1.00 0.00 O ATOM 288 OD2 ASP A 18 -3.870 -13.741 -3.775 1.00 0.00 O ATOM 0 H ASP A 18 -3.326 -9.040 -4.566 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.561 -10.239 -2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.739 -10.883 -4.201 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.243 -11.574 -4.797 1.00 0.00 H new ATOM 293 N ASN A 19 -0.669 -10.773 -3.509 1.00 0.00 N ATOM 294 CA ASN A 19 0.672 -11.309 -3.297 1.00 0.00 C ATOM 295 C ASN A 19 1.383 -10.573 -2.165 1.00 0.00 C ATOM 296 O ASN A 19 1.878 -11.195 -1.225 1.00 0.00 O ATOM 297 CB ASN A 19 1.496 -11.215 -4.582 1.00 0.00 C ATOM 298 CG ASN A 19 1.102 -12.266 -5.603 1.00 0.00 C ATOM 299 OD1 ASN A 19 1.867 -13.186 -5.889 1.00 0.00 O ATOM 300 ND2 ASN A 19 -0.098 -12.133 -6.157 1.00 0.00 N ATOM 0 H ASN A 19 -0.768 -10.203 -4.349 1.00 0.00 H new ATOM 0 HA ASN A 19 0.573 -12.358 -3.017 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.371 -10.224 -5.018 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.553 -11.326 -4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.418 -12.810 -6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.700 -11.354 -5.890 1.00 0.00 H new ATOM 307 N ALA A 20 1.428 -9.248 -2.258 1.00 0.00 N ATOM 308 CA ALA A 20 2.078 -8.432 -1.237 1.00 0.00 C ATOM 309 C ALA A 20 1.522 -8.744 0.149 1.00 0.00 C ATOM 310 O ALA A 20 2.258 -8.767 1.134 1.00 0.00 O ATOM 311 CB ALA A 20 1.912 -6.954 -1.556 1.00 0.00 C ATOM 0 H ALA A 20 1.023 -8.716 -3.029 1.00 0.00 H new ATOM 0 HA ALA A 20 3.141 -8.673 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.402 -6.358 -0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.364 -6.738 -2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.851 -6.705 -1.587 1.00 0.00 H new ATOM 317 N LYS A 21 0.218 -8.994 0.213 1.00 0.00 N ATOM 318 CA LYS A 21 -0.439 -9.311 1.476 1.00 0.00 C ATOM 319 C LYS A 21 0.151 -10.579 2.081 1.00 0.00 C ATOM 320 O LYS A 21 0.612 -10.579 3.223 1.00 0.00 O ATOM 321 CB LYS A 21 -1.944 -9.487 1.260 1.00 0.00 C ATOM 322 CG LYS A 21 -2.721 -9.708 2.547 1.00 0.00 C ATOM 323 CD LYS A 21 -3.902 -10.641 2.330 1.00 0.00 C ATOM 324 CE LYS A 21 -4.596 -10.979 3.639 1.00 0.00 C ATOM 325 NZ LYS A 21 -3.668 -11.619 4.610 1.00 0.00 N ATOM 0 H LYS A 21 -0.404 -8.983 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.274 -8.484 2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.336 -8.604 0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.111 -10.334 0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.060 -10.127 3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.077 -8.751 2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.615 -10.175 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.559 -11.558 1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.009 -10.070 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.434 -11.648 3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.141 -12.429 5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.817 -11.949 4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.397 -10.928 5.338 1.00 0.00 H new ATOM 339 N ARG A 22 0.138 -11.659 1.306 1.00 0.00 N ATOM 340 CA ARG A 22 0.678 -12.935 1.764 1.00 0.00 C ATOM 341 C ARG A 22 2.161 -12.806 2.095 1.00 0.00 C ATOM 342 O ARG A 22 2.681 -13.513 2.958 1.00 0.00 O ATOM 343 CB ARG A 22 0.473 -14.014 0.699 1.00 0.00 C ATOM 344 CG ARG A 22 -0.970 -14.472 0.566 1.00 0.00 C ATOM 345 CD ARG A 22 -1.059 -15.966 0.298 1.00 0.00 C ATOM 346 NE ARG A 22 -1.385 -16.723 1.505 1.00 0.00 N ATOM 347 CZ ARG A 22 -1.206 -18.036 1.628 1.00 0.00 C ATOM 348 NH1 ARG A 22 -0.704 -18.742 0.623 1.00 0.00 N ATOM 349 NH2 ARG A 22 -1.531 -18.645 2.761 1.00 0.00 N ATOM 0 H ARG A 22 -0.240 -11.676 0.359 1.00 0.00 H new ATOM 0 HA ARG A 22 0.143 -13.224 2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.814 -13.632 -0.263 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.098 -14.874 0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.514 -14.232 1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.452 -13.927 -0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.817 -16.153 -0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.110 -16.319 -0.105 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.773 -16.215 2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.453 -18.279 -0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.569 -19.748 0.724 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.918 -18.107 3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.394 -19.651 2.857 1.00 0.00 H new ATOM 363 N LEU A 23 2.835 -11.890 1.406 1.00 0.00 N ATOM 364 CA LEU A 23 4.256 -11.653 1.626 1.00 0.00 C ATOM 365 C LEU A 23 4.524 -11.323 3.089 1.00 0.00 C ATOM 366 O LEU A 23 5.355 -11.956 3.740 1.00 0.00 O ATOM 367 CB LEU A 23 4.734 -10.503 0.734 1.00 0.00 C ATOM 368 CG LEU A 23 6.246 -10.421 0.513 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.581 -9.259 -0.409 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.975 -10.270 1.838 1.00 0.00 C ATOM 0 H LEU A 23 2.417 -11.298 0.688 1.00 0.00 H new ATOM 0 HA LEU A 23 4.805 -12.559 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.248 -10.594 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.398 -9.563 1.172 1.00 0.00 H new ATOM 0 HG LEU A 23 6.576 -11.348 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.660 -9.212 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.088 -9.403 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.236 -8.327 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.049 -10.214 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.642 -9.359 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.758 -11.129 2.473 1.00 0.00 H new ATOM 382 N LEU A 24 3.807 -10.330 3.598 1.00 0.00 N ATOM 383 CA LEU A 24 3.956 -9.908 4.985 1.00 0.00 C ATOM 384 C LEU A 24 3.425 -10.977 5.934 1.00 0.00 C ATOM 385 O LEU A 24 4.033 -11.263 6.966 1.00 0.00 O ATOM 386 CB LEU A 24 3.225 -8.587 5.215 1.00 0.00 C ATOM 387 CG LEU A 24 3.445 -7.534 4.128 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.736 -6.240 4.484 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.932 -7.286 3.921 1.00 0.00 C ATOM 0 H LEU A 24 3.114 -9.800 3.069 1.00 0.00 H new ATOM 0 HA LEU A 24 5.017 -9.765 5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.157 -8.788 5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.544 -8.173 6.172 1.00 0.00 H new ATOM 0 HG LEU A 24 3.023 -7.910 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.905 -5.504 3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.667 -6.426 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.126 -5.859 5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.071 -6.534 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.375 -6.932 4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.417 -8.214 3.618 1.00 0.00 H new ATOM 401 N THR A 25 2.290 -11.569 5.577 1.00 0.00 N ATOM 402 CA THR A 25 1.685 -12.612 6.395 1.00 0.00 C ATOM 403 C THR A 25 2.631 -13.802 6.513 1.00 0.00 C ATOM 404 O THR A 25 2.728 -14.434 7.563 1.00 0.00 O ATOM 405 CB THR A 25 0.352 -13.057 5.792 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.447 -11.935 5.460 1.00 0.00 O ATOM 407 CG2 THR A 25 -0.458 -13.941 6.716 1.00 0.00 C ATOM 0 H THR A 25 1.772 -11.344 4.728 1.00 0.00 H new ATOM 0 HA THR A 25 1.499 -12.209 7.391 1.00 0.00 H new ATOM 0 HB THR A 25 0.614 -13.632 4.904 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.149 -11.563 4.604 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.391 -14.220 6.227 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.112 -14.840 6.951 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.679 -13.400 7.636 1.00 0.00 H new ATOM 415 N VAL A 26 3.334 -14.090 5.421 1.00 0.00 N ATOM 416 CA VAL A 26 4.285 -15.194 5.385 1.00 0.00 C ATOM 417 C VAL A 26 5.584 -14.809 6.089 1.00 0.00 C ATOM 418 O VAL A 26 6.247 -15.652 6.693 1.00 0.00 O ATOM 419 CB VAL A 26 4.591 -15.610 3.929 1.00 0.00 C ATOM 420 CG1 VAL A 26 5.710 -16.641 3.872 1.00 0.00 C ATOM 421 CG2 VAL A 26 3.334 -16.141 3.255 1.00 0.00 C ATOM 0 H VAL A 26 3.261 -13.571 4.546 1.00 0.00 H new ATOM 0 HA VAL A 26 3.833 -16.038 5.906 1.00 0.00 H new ATOM 0 HB VAL A 26 4.929 -14.726 3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.901 -16.913 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.615 -16.220 4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.415 -17.529 4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.565 -16.430 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.966 -17.009 3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.569 -15.365 3.249 1.00 0.00 H new ATOM 431 N LYS A 27 5.936 -13.530 6.009 1.00 0.00 N ATOM 432 CA LYS A 27 7.153 -13.029 6.638 1.00 0.00 C ATOM 433 C LYS A 27 7.017 -12.999 8.160 1.00 0.00 C ATOM 434 O LYS A 27 8.013 -12.891 8.876 1.00 0.00 O ATOM 435 CB LYS A 27 7.482 -11.631 6.112 1.00 0.00 C ATOM 436 CG LYS A 27 8.121 -11.636 4.732 1.00 0.00 C ATOM 437 CD LYS A 27 9.579 -12.063 4.793 1.00 0.00 C ATOM 438 CE LYS A 27 9.928 -13.029 3.672 1.00 0.00 C ATOM 439 NZ LYS A 27 10.022 -14.433 4.156 1.00 0.00 N ATOM 0 H LYS A 27 5.395 -12.821 5.514 1.00 0.00 H new ATOM 0 HA LYS A 27 7.967 -13.708 6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.567 -11.040 6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.155 -11.137 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.570 -12.312 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.051 -10.640 4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.219 -11.183 4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.781 -12.534 5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.172 -12.965 2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.877 -12.736 3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.262 -15.059 3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.761 -14.500 4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.109 -14.722 4.561 1.00 0.00 H new ATOM 453 N LYS A 28 5.781 -13.099 8.650 1.00 0.00 N ATOM 454 CA LYS A 28 5.516 -13.086 10.088 1.00 0.00 C ATOM 455 C LYS A 28 5.678 -11.683 10.667 1.00 0.00 C ATOM 456 O LYS A 28 6.427 -11.476 11.621 1.00 0.00 O ATOM 457 CB LYS A 28 6.442 -14.065 10.818 1.00 0.00 C ATOM 458 CG LYS A 28 5.976 -14.410 12.222 1.00 0.00 C ATOM 459 CD LYS A 28 4.729 -15.282 12.197 1.00 0.00 C ATOM 460 CE LYS A 28 5.038 -16.680 11.689 1.00 0.00 C ATOM 461 NZ LYS A 28 4.119 -17.697 12.272 1.00 0.00 N ATOM 0 H LYS A 28 4.946 -13.190 8.071 1.00 0.00 H new ATOM 0 HA LYS A 28 4.483 -13.401 10.236 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.520 -14.982 10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.442 -13.635 10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.773 -14.929 12.754 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.769 -13.493 12.773 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.306 -15.343 13.200 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.974 -14.821 11.560 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.957 -16.698 10.602 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.068 -16.937 11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.362 -18.638 11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.214 -17.698 13.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.138 -17.466 12.015 1.00 0.00 H new ATOM 475 N GLN A 29 4.966 -10.725 10.087 1.00 0.00 N ATOM 476 CA GLN A 29 5.026 -9.344 10.548 1.00 0.00 C ATOM 477 C GLN A 29 3.635 -8.717 10.561 1.00 0.00 C ATOM 478 O GLN A 29 2.826 -8.965 9.667 1.00 0.00 O ATOM 479 CB GLN A 29 5.958 -8.524 9.651 1.00 0.00 C ATOM 480 CG GLN A 29 7.358 -8.358 10.219 1.00 0.00 C ATOM 481 CD GLN A 29 8.095 -9.676 10.351 1.00 0.00 C ATOM 482 OE1 GLN A 29 8.272 -10.403 9.374 1.00 0.00 O ATOM 483 NE2 GLN A 29 8.532 -9.990 11.565 1.00 0.00 N ATOM 0 H GLN A 29 4.340 -10.879 9.296 1.00 0.00 H new ATOM 0 HA GLN A 29 5.418 -9.342 11.565 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.025 -9.005 8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.521 -7.539 9.491 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.930 -7.689 9.576 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.295 -7.882 11.198 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.363 -9.358 12.347 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.037 -10.864 11.715 1.00 0.00 H new ATOM 492 N PRO A 30 3.336 -7.883 11.573 1.00 0.00 N ATOM 493 CA PRO A 30 2.037 -7.216 11.684 1.00 0.00 C ATOM 494 C PRO A 30 1.916 -6.058 10.705 1.00 0.00 C ATOM 495 O PRO A 30 2.857 -5.283 10.535 1.00 0.00 O ATOM 496 CB PRO A 30 2.041 -6.694 13.118 1.00 0.00 C ATOM 497 CG PRO A 30 3.478 -6.421 13.392 1.00 0.00 C ATOM 498 CD PRO A 30 4.238 -7.510 12.684 1.00 0.00 C ATOM 0 HA PRO A 30 1.204 -7.882 11.458 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.436 -5.792 13.217 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.634 -7.429 13.812 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.768 -5.437 13.023 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.682 -6.433 14.463 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.202 -7.156 12.319 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.437 -8.356 13.342 1.00 0.00 H new ATOM 506 N PHE A 31 0.762 -5.938 10.062 1.00 0.00 N ATOM 507 CA PHE A 31 0.549 -4.864 9.105 1.00 0.00 C ATOM 508 C PHE A 31 -0.925 -4.513 8.952 1.00 0.00 C ATOM 509 O PHE A 31 -1.803 -5.238 9.421 1.00 0.00 O ATOM 510 CB PHE A 31 1.157 -5.226 7.762 1.00 0.00 C ATOM 511 CG PHE A 31 0.273 -6.091 6.922 1.00 0.00 C ATOM 512 CD1 PHE A 31 -0.746 -5.531 6.177 1.00 0.00 C ATOM 513 CD2 PHE A 31 0.449 -7.461 6.895 1.00 0.00 C ATOM 514 CE1 PHE A 31 -1.575 -6.322 5.414 1.00 0.00 C ATOM 515 CE2 PHE A 31 -0.376 -8.262 6.135 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.393 -7.693 5.392 1.00 0.00 C ATOM 0 H PHE A 31 -0.033 -6.565 10.185 1.00 0.00 H new ATOM 0 HA PHE A 31 1.049 -3.977 9.494 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.382 -4.310 7.215 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.104 -5.740 7.927 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.894 -4.461 6.193 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.242 -7.909 7.476 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.367 -5.872 4.833 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.228 -9.332 6.120 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.043 -8.317 4.796 1.00 0.00 H new ATOM 526 N GLU A 32 -1.183 -3.392 8.283 1.00 0.00 N ATOM 527 CA GLU A 32 -2.546 -2.933 8.058 1.00 0.00 C ATOM 528 C GLU A 32 -2.684 -2.334 6.664 1.00 0.00 C ATOM 529 O GLU A 32 -1.812 -1.596 6.205 1.00 0.00 O ATOM 530 CB GLU A 32 -2.944 -1.900 9.113 1.00 0.00 C ATOM 531 CG GLU A 32 -4.435 -1.611 9.149 1.00 0.00 C ATOM 532 CD GLU A 32 -5.154 -2.381 10.240 1.00 0.00 C ATOM 533 OE1 GLU A 32 -4.571 -3.353 10.764 1.00 0.00 O ATOM 534 OE2 GLU A 32 -6.300 -2.011 10.570 1.00 0.00 O ATOM 0 H GLU A 32 -0.464 -2.786 7.888 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.213 -3.791 8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.627 -2.254 10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.407 -0.971 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.590 -0.543 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.873 -1.863 8.183 1.00 0.00 H new ATOM 541 N PHE A 33 -3.780 -2.660 5.993 1.00 0.00 N ATOM 542 CA PHE A 33 -4.029 -2.164 4.654 1.00 0.00 C ATOM 543 C PHE A 33 -4.779 -0.838 4.692 1.00 0.00 C ATOM 544 O PHE A 33 -5.469 -0.528 5.663 1.00 0.00 O ATOM 545 CB PHE A 33 -4.838 -3.194 3.872 1.00 0.00 C ATOM 546 CG PHE A 33 -4.864 -2.929 2.403 1.00 0.00 C ATOM 547 CD1 PHE A 33 -3.793 -3.290 1.613 1.00 0.00 C ATOM 548 CD2 PHE A 33 -5.953 -2.313 1.819 1.00 0.00 C ATOM 549 CE1 PHE A 33 -3.805 -3.043 0.254 1.00 0.00 C ATOM 550 CE2 PHE A 33 -5.974 -2.060 0.461 1.00 0.00 C ATOM 551 CZ PHE A 33 -4.898 -2.426 -0.323 1.00 0.00 C ATOM 0 H PHE A 33 -4.512 -3.269 6.359 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.070 -1.998 4.163 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.420 -4.185 4.049 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.860 -3.207 4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.936 -3.771 2.061 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.796 -2.026 2.430 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.962 -3.332 -0.356 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.830 -1.577 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.911 -2.230 -1.385 1.00 0.00 H new ATOM 561 N ILE A 34 -4.648 -0.065 3.619 1.00 0.00 N ATOM 562 CA ILE A 34 -5.320 1.223 3.511 1.00 0.00 C ATOM 563 C ILE A 34 -5.801 1.452 2.089 1.00 0.00 C ATOM 564 O ILE A 34 -5.011 1.516 1.149 1.00 0.00 O ATOM 565 CB ILE A 34 -4.420 2.393 3.931 1.00 0.00 C ATOM 566 CG1 ILE A 34 -3.662 2.042 5.210 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.251 3.651 4.128 1.00 0.00 C ATOM 568 CD1 ILE A 34 -2.584 3.040 5.570 1.00 0.00 C ATOM 0 H ILE A 34 -4.079 -0.311 2.809 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.169 1.189 4.194 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.694 2.581 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.371 1.973 6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.209 1.057 5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.601 4.474 4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.753 3.905 3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.995 3.477 4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.089 2.725 6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.853 3.093 4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.032 4.022 5.718 1.00 0.00 H new ATOM 580 N ASN A 35 -7.107 1.562 1.947 1.00 0.00 N ATOM 581 CA ASN A 35 -7.726 1.774 0.646 1.00 0.00 C ATOM 582 C ASN A 35 -8.086 3.239 0.445 1.00 0.00 C ATOM 583 O ASN A 35 -8.714 3.859 1.303 1.00 0.00 O ATOM 584 CB ASN A 35 -8.974 0.904 0.502 1.00 0.00 C ATOM 585 CG ASN A 35 -9.959 1.116 1.635 1.00 0.00 C ATOM 586 OD1 ASN A 35 -10.698 2.100 1.655 1.00 0.00 O ATOM 587 ND2 ASN A 35 -9.972 0.191 2.588 1.00 0.00 N ATOM 0 H ASN A 35 -7.768 1.508 2.722 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.005 1.490 -0.120 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.462 1.127 -0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.681 -0.145 0.470 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.612 0.280 3.377 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.342 -0.609 2.531 1.00 0.00 H new ATOM 594 N ILE A 36 -7.687 3.783 -0.696 1.00 0.00 N ATOM 595 CA ILE A 36 -7.967 5.174 -1.019 1.00 0.00 C ATOM 596 C ILE A 36 -9.195 5.291 -1.912 1.00 0.00 C ATOM 597 O ILE A 36 -9.317 6.227 -2.702 1.00 0.00 O ATOM 598 CB ILE A 36 -6.764 5.836 -1.712 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.451 5.133 -3.035 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.558 5.799 -0.790 1.00 0.00 C ATOM 601 CD1 ILE A 36 -5.552 5.938 -3.948 1.00 0.00 C ATOM 0 H ILE A 36 -7.167 3.280 -1.415 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.161 5.691 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.010 6.875 -1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.977 4.174 -2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.385 4.920 -3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.708 6.269 -1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.786 6.338 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.313 4.764 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.372 5.379 -4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.033 6.886 -4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.603 6.129 -3.448 1.00 0.00 H new ATOM 613 N MET A 37 -10.102 4.334 -1.776 1.00 0.00 N ATOM 614 CA MET A 37 -11.325 4.316 -2.567 1.00 0.00 C ATOM 615 C MET A 37 -12.427 3.532 -1.851 1.00 0.00 C ATOM 616 O MET A 37 -12.457 2.303 -1.908 1.00 0.00 O ATOM 617 CB MET A 37 -11.047 3.694 -3.936 1.00 0.00 C ATOM 618 CG MET A 37 -12.266 3.642 -4.840 1.00 0.00 C ATOM 619 SD MET A 37 -12.038 2.536 -6.244 1.00 0.00 S ATOM 620 CE MET A 37 -11.599 3.710 -7.521 1.00 0.00 C ATOM 0 H MET A 37 -10.013 3.556 -1.122 1.00 0.00 H new ATOM 0 HA MET A 37 -11.666 5.343 -2.698 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.262 4.264 -4.432 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.666 2.682 -3.795 1.00 0.00 H new ATOM 0 HG2 MET A 37 -13.130 3.315 -4.261 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.487 4.645 -5.204 1.00 0.00 H new ATOM 0 HE1 MET A 37 -12.346 3.681 -8.314 1.00 0.00 H new ATOM 0 HE2 MET A 37 -11.560 4.713 -7.095 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.623 3.452 -7.932 1.00 0.00 H new ATOM 630 N PRO A 38 -13.350 4.231 -1.159 1.00 0.00 N ATOM 631 CA PRO A 38 -14.449 3.579 -0.432 1.00 0.00 C ATOM 632 C PRO A 38 -15.491 2.992 -1.375 1.00 0.00 C ATOM 633 O PRO A 38 -16.169 2.019 -1.045 1.00 0.00 O ATOM 634 CB PRO A 38 -15.056 4.719 0.385 1.00 0.00 C ATOM 635 CG PRO A 38 -14.748 5.945 -0.400 1.00 0.00 C ATOM 636 CD PRO A 38 -13.402 5.701 -1.028 1.00 0.00 C ATOM 0 HA PRO A 38 -14.101 2.741 0.172 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.131 4.588 0.511 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.621 4.767 1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.508 6.124 -1.161 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.726 6.826 0.242 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.314 6.195 -1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.592 6.078 -0.403 1.00 0.00 H new ATOM 644 N GLU A 39 -15.606 3.595 -2.550 1.00 0.00 N ATOM 645 CA GLU A 39 -16.553 3.146 -3.557 1.00 0.00 C ATOM 646 C GLU A 39 -15.917 3.216 -4.937 1.00 0.00 C ATOM 647 O GLU A 39 -14.980 3.981 -5.157 1.00 0.00 O ATOM 648 CB GLU A 39 -17.819 4.004 -3.521 1.00 0.00 C ATOM 649 CG GLU A 39 -18.732 3.702 -2.343 1.00 0.00 C ATOM 650 CD GLU A 39 -19.937 2.873 -2.739 1.00 0.00 C ATOM 651 OE1 GLU A 39 -20.481 3.104 -3.840 1.00 0.00 O ATOM 652 OE2 GLU A 39 -20.339 1.993 -1.949 1.00 0.00 O ATOM 0 H GLU A 39 -15.050 4.403 -2.829 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.826 2.113 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.533 5.055 -3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -18.374 3.854 -4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.167 3.172 -1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.070 4.639 -1.900 1.00 0.00 H new ATOM 659 N LYS A 40 -16.425 2.417 -5.865 1.00 0.00 N ATOM 660 CA LYS A 40 -15.890 2.396 -7.221 1.00 0.00 C ATOM 661 C LYS A 40 -16.232 3.670 -7.980 1.00 0.00 C ATOM 662 O LYS A 40 -15.757 3.898 -9.092 1.00 0.00 O ATOM 663 CB LYS A 40 -16.398 1.171 -7.985 1.00 0.00 C ATOM 664 CG LYS A 40 -15.635 0.893 -9.272 1.00 0.00 C ATOM 665 CD LYS A 40 -16.426 -0.006 -10.212 1.00 0.00 C ATOM 666 CE LYS A 40 -16.805 -1.320 -9.547 1.00 0.00 C ATOM 667 NZ LYS A 40 -18.117 -1.233 -8.851 1.00 0.00 N ATOM 0 H LYS A 40 -17.203 1.777 -5.706 1.00 0.00 H new ATOM 0 HA LYS A 40 -14.805 2.336 -7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -16.331 0.297 -7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.453 1.313 -8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -15.410 1.835 -9.773 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -14.681 0.422 -9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.329 0.511 -10.536 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.835 -0.207 -11.106 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.845 -2.109 -10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.032 -1.600 -8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.717 -2.032 -9.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.967 -1.266 -7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.586 -0.340 -9.104 1.00 0.00 H new ATOM 681 N GLY A 41 -17.063 4.482 -7.368 1.00 0.00 N ATOM 682 CA GLY A 41 -17.489 5.730 -7.978 1.00 0.00 C ATOM 683 C GLY A 41 -16.759 6.947 -7.439 1.00 0.00 C ATOM 684 O GLY A 41 -16.661 7.965 -8.123 1.00 0.00 O ATOM 0 H GLY A 41 -17.461 4.304 -6.446 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.334 5.670 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.559 5.857 -7.817 1.00 0.00 H new ATOM 688 N VAL A 42 -16.255 6.857 -6.210 1.00 0.00 N ATOM 689 CA VAL A 42 -15.548 7.982 -5.602 1.00 0.00 C ATOM 690 C VAL A 42 -14.359 7.534 -4.753 1.00 0.00 C ATOM 691 O VAL A 42 -14.491 6.700 -3.858 1.00 0.00 O ATOM 692 CB VAL A 42 -16.489 8.817 -4.714 1.00 0.00 C ATOM 693 CG1 VAL A 42 -15.807 10.101 -4.264 1.00 0.00 C ATOM 694 CG2 VAL A 42 -17.789 9.122 -5.443 1.00 0.00 C ATOM 0 H VAL A 42 -16.322 6.027 -5.621 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.181 8.586 -6.432 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.728 8.231 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -16.490 10.675 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.911 9.856 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.531 10.692 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.438 9.713 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.573 9.684 -6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.288 8.188 -5.703 1.00 0.00 H new ATOM 704 N PHE A 43 -13.200 8.113 -5.045 1.00 0.00 N ATOM 705 CA PHE A 43 -11.970 7.813 -4.320 1.00 0.00 C ATOM 706 C PHE A 43 -12.000 8.405 -2.911 1.00 0.00 C ATOM 707 O PHE A 43 -12.805 9.288 -2.611 1.00 0.00 O ATOM 708 CB PHE A 43 -10.771 8.382 -5.078 1.00 0.00 C ATOM 709 CG PHE A 43 -10.294 7.504 -6.193 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.356 6.517 -5.955 1.00 0.00 C ATOM 711 CD2 PHE A 43 -10.782 7.667 -7.479 1.00 0.00 C ATOM 712 CE1 PHE A 43 -8.912 5.704 -6.978 1.00 0.00 C ATOM 713 CE2 PHE A 43 -10.342 6.859 -8.509 1.00 0.00 C ATOM 714 CZ PHE A 43 -9.406 5.875 -8.258 1.00 0.00 C ATOM 0 H PHE A 43 -13.086 8.802 -5.789 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.882 6.729 -4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.038 9.358 -5.484 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.952 8.542 -4.377 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.966 6.380 -4.957 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -11.515 8.435 -7.679 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.180 4.935 -6.779 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.729 6.996 -9.508 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.060 5.240 -9.060 1.00 0.00 H new ATOM 724 N ASP A 44 -11.097 7.928 -2.059 1.00 0.00 N ATOM 725 CA ASP A 44 -10.997 8.408 -0.682 1.00 0.00 C ATOM 726 C ASP A 44 -9.981 9.541 -0.565 1.00 0.00 C ATOM 727 O ASP A 44 -8.785 9.298 -0.399 1.00 0.00 O ATOM 728 CB ASP A 44 -10.596 7.265 0.254 1.00 0.00 C ATOM 729 CG ASP A 44 -11.414 7.249 1.529 1.00 0.00 C ATOM 730 OD1 ASP A 44 -11.438 8.284 2.230 1.00 0.00 O ATOM 731 OD2 ASP A 44 -12.031 6.205 1.827 1.00 0.00 O ATOM 0 H ASP A 44 -10.419 7.205 -2.299 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.977 8.787 -0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.718 6.314 -0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.539 7.358 0.505 1.00 0.00 H new ATOM 736 N ASP A 45 -10.461 10.776 -0.638 1.00 0.00 N ATOM 737 CA ASP A 45 -9.590 11.942 -0.529 1.00 0.00 C ATOM 738 C ASP A 45 -8.886 11.962 0.826 1.00 0.00 C ATOM 739 O ASP A 45 -7.786 12.503 0.957 1.00 0.00 O ATOM 740 CB ASP A 45 -10.397 13.227 -0.716 1.00 0.00 C ATOM 741 CG ASP A 45 -10.673 13.527 -2.176 1.00 0.00 C ATOM 742 OD1 ASP A 45 -10.715 12.572 -2.981 1.00 0.00 O ATOM 743 OD2 ASP A 45 -10.848 14.716 -2.516 1.00 0.00 O ATOM 0 H ASP A 45 -11.448 10.997 -0.772 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.836 11.880 -1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.342 13.141 -0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.854 14.062 -0.272 1.00 0.00 H new ATOM 748 N GLU A 46 -9.525 11.370 1.831 1.00 0.00 N ATOM 749 CA GLU A 46 -8.959 11.318 3.175 1.00 0.00 C ATOM 750 C GLU A 46 -7.632 10.568 3.172 1.00 0.00 C ATOM 751 O GLU A 46 -6.613 11.087 3.628 1.00 0.00 O ATOM 752 CB GLU A 46 -9.937 10.647 4.139 1.00 0.00 C ATOM 753 CG GLU A 46 -11.279 11.354 4.231 1.00 0.00 C ATOM 754 CD GLU A 46 -11.811 11.415 5.649 1.00 0.00 C ATOM 755 OE1 GLU A 46 -11.344 12.278 6.422 1.00 0.00 O ATOM 756 OE2 GLU A 46 -12.696 10.601 5.988 1.00 0.00 O ATOM 0 H GLU A 46 -10.436 10.919 1.740 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.780 12.340 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.099 9.617 3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.487 10.607 5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.179 12.367 3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.001 10.838 3.598 1.00 0.00 H new ATOM 763 N LYS A 47 -7.649 9.347 2.648 1.00 0.00 N ATOM 764 CA LYS A 47 -6.443 8.534 2.576 1.00 0.00 C ATOM 765 C LYS A 47 -5.478 9.120 1.554 1.00 0.00 C ATOM 766 O LYS A 47 -4.261 9.065 1.728 1.00 0.00 O ATOM 767 CB LYS A 47 -6.788 7.090 2.207 1.00 0.00 C ATOM 768 CG LYS A 47 -7.875 6.482 3.078 1.00 0.00 C ATOM 769 CD LYS A 47 -7.455 6.429 4.538 1.00 0.00 C ATOM 770 CE LYS A 47 -8.618 6.045 5.438 1.00 0.00 C ATOM 771 NZ LYS A 47 -8.506 6.668 6.787 1.00 0.00 N ATOM 0 H LYS A 47 -8.484 8.900 2.268 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.966 8.535 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.108 7.057 1.165 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.888 6.479 2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.789 7.068 2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.103 5.476 2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.646 5.708 4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.064 7.400 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.554 6.353 4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.655 4.960 5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.318 6.381 7.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.625 6.354 7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.497 7.704 6.691 1.00 0.00 H new ATOM 785 N ILE A 48 -6.036 9.692 0.494 1.00 0.00 N ATOM 786 CA ILE A 48 -5.235 10.302 -0.559 1.00 0.00 C ATOM 787 C ILE A 48 -4.491 11.523 -0.022 1.00 0.00 C ATOM 788 O ILE A 48 -3.333 11.759 -0.367 1.00 0.00 O ATOM 789 CB ILE A 48 -6.121 10.727 -1.753 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.763 9.503 -2.410 1.00 0.00 C ATOM 791 CG2 ILE A 48 -5.316 11.516 -2.777 1.00 0.00 C ATOM 792 CD1 ILE A 48 -8.038 9.822 -3.159 1.00 0.00 C ATOM 0 H ILE A 48 -7.043 9.746 0.341 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.515 9.559 -0.902 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.912 11.372 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.048 9.053 -3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.978 8.759 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.963 11.802 -3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.909 12.412 -2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.499 10.899 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.439 8.909 -3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -8.769 10.244 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.826 10.543 -3.948 1.00 0.00 H new ATOM 804 N ALA A 49 -5.169 12.296 0.821 1.00 0.00 N ATOM 805 CA ALA A 49 -4.578 13.495 1.403 1.00 0.00 C ATOM 806 C ALA A 49 -3.446 13.142 2.359 1.00 0.00 C ATOM 807 O ALA A 49 -2.316 13.606 2.196 1.00 0.00 O ATOM 808 CB ALA A 49 -5.643 14.309 2.123 1.00 0.00 C ATOM 0 H ALA A 49 -6.128 12.113 1.116 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.160 14.094 0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.189 15.202 2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.418 14.601 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.085 13.708 2.917 1.00 0.00 H new ATOM 814 N GLU A 50 -3.750 12.318 3.359 1.00 0.00 N ATOM 815 CA GLU A 50 -2.752 11.907 4.337 1.00 0.00 C ATOM 816 C GLU A 50 -1.578 11.214 3.654 1.00 0.00 C ATOM 817 O GLU A 50 -0.428 11.364 4.069 1.00 0.00 O ATOM 818 CB GLU A 50 -3.376 10.985 5.389 1.00 0.00 C ATOM 819 CG GLU A 50 -3.721 9.600 4.868 1.00 0.00 C ATOM 820 CD GLU A 50 -4.767 8.904 5.717 1.00 0.00 C ATOM 821 OE1 GLU A 50 -5.819 9.522 5.989 1.00 0.00 O ATOM 822 OE2 GLU A 50 -4.532 7.742 6.114 1.00 0.00 O ATOM 0 H GLU A 50 -4.678 11.924 3.511 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.379 12.801 4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.685 10.886 6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.281 11.453 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.084 9.681 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.818 8.991 4.839 1.00 0.00 H new ATOM 829 N LEU A 51 -1.871 10.462 2.596 1.00 0.00 N ATOM 830 CA LEU A 51 -0.836 9.757 1.851 1.00 0.00 C ATOM 831 C LEU A 51 0.219 10.733 1.347 1.00 0.00 C ATOM 832 O LEU A 51 1.415 10.529 1.550 1.00 0.00 O ATOM 833 CB LEU A 51 -1.450 9.001 0.673 1.00 0.00 C ATOM 834 CG LEU A 51 -0.445 8.291 -0.235 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.569 7.517 0.591 1.00 0.00 C ATOM 836 CD2 LEU A 51 -1.165 7.362 -1.197 1.00 0.00 C ATOM 0 H LEU A 51 -2.816 10.326 2.237 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.360 9.042 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.151 8.262 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.027 9.703 0.071 1.00 0.00 H new ATOM 0 HG LEU A 51 0.088 9.045 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.275 7.019 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.107 8.204 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.053 6.772 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.436 6.864 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.723 6.615 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.854 7.939 -1.814 1.00 0.00 H new ATOM 848 N LEU A 52 -0.234 11.801 0.696 1.00 0.00 N ATOM 849 CA LEU A 52 0.664 12.816 0.173 1.00 0.00 C ATOM 850 C LEU A 52 1.594 13.334 1.260 1.00 0.00 C ATOM 851 O LEU A 52 2.808 13.410 1.074 1.00 0.00 O ATOM 852 CB LEU A 52 -0.147 13.938 -0.409 1.00 0.00 C ATOM 853 CG LEU A 52 -0.850 13.546 -1.690 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.720 14.670 -2.141 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.160 13.174 -2.764 1.00 0.00 C ATOM 0 H LEU A 52 -1.222 11.983 0.520 1.00 0.00 H new ATOM 0 HA LEU A 52 1.285 12.375 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.887 14.263 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.505 14.790 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.472 12.670 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.227 14.390 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.461 14.888 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.109 15.555 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.366 12.895 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.808 14.027 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.763 12.333 -2.421 1.00 0.00 H new ATOM 867 N THR A 53 1.011 13.668 2.406 1.00 0.00 N ATOM 868 CA THR A 53 1.780 14.160 3.539 1.00 0.00 C ATOM 869 C THR A 53 2.729 13.076 4.036 1.00 0.00 C ATOM 870 O THR A 53 3.848 13.362 4.463 1.00 0.00 O ATOM 871 CB THR A 53 0.845 14.597 4.669 1.00 0.00 C ATOM 872 OG1 THR A 53 -0.069 15.577 4.212 1.00 0.00 O ATOM 873 CG2 THR A 53 1.578 15.173 5.862 1.00 0.00 C ATOM 0 H THR A 53 0.007 13.606 2.573 1.00 0.00 H new ATOM 0 HA THR A 53 2.363 15.022 3.216 1.00 0.00 H new ATOM 0 HB THR A 53 0.327 13.691 4.984 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.659 15.842 4.948 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.857 15.463 6.627 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.257 14.423 6.269 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.148 16.048 5.551 1.00 0.00 H new ATOM 881 N LYS A 54 2.273 11.828 3.965 1.00 0.00 N ATOM 882 CA LYS A 54 3.083 10.695 4.394 1.00 0.00 C ATOM 883 C LYS A 54 4.323 10.573 3.514 1.00 0.00 C ATOM 884 O LYS A 54 5.413 10.263 3.996 1.00 0.00 O ATOM 885 CB LYS A 54 2.260 9.402 4.343 1.00 0.00 C ATOM 886 CG LYS A 54 1.834 8.902 5.714 1.00 0.00 C ATOM 887 CD LYS A 54 2.999 8.285 6.470 1.00 0.00 C ATOM 888 CE LYS A 54 2.541 7.149 7.369 1.00 0.00 C ATOM 889 NZ LYS A 54 2.363 7.593 8.780 1.00 0.00 N ATOM 0 H LYS A 54 1.348 11.578 3.615 1.00 0.00 H new ATOM 0 HA LYS A 54 3.401 10.861 5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.372 9.569 3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.845 8.627 3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.421 9.729 6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.040 8.164 5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.738 7.913 5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.490 9.050 7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.600 6.746 6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.271 6.340 7.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.050 6.789 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.267 7.954 9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.648 8.347 8.819 1.00 0.00 H new ATOM 903 N LEU A 55 4.149 10.836 2.222 1.00 0.00 N ATOM 904 CA LEU A 55 5.250 10.775 1.269 1.00 0.00 C ATOM 905 C LEU A 55 6.300 11.831 1.597 1.00 0.00 C ATOM 906 O LEU A 55 7.483 11.526 1.746 1.00 0.00 O ATOM 907 CB LEU A 55 4.730 10.990 -0.152 1.00 0.00 C ATOM 908 CG LEU A 55 3.819 9.886 -0.702 1.00 0.00 C ATOM 909 CD1 LEU A 55 4.096 9.669 -2.175 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.004 8.582 0.063 1.00 0.00 C ATOM 0 H LEU A 55 3.252 11.094 1.811 1.00 0.00 H new ATOM 0 HA LEU A 55 5.709 9.789 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.184 11.933 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.585 11.096 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 55 2.785 10.207 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.444 8.883 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.907 10.593 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.137 9.374 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.344 7.820 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.039 8.252 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.761 8.739 1.114 1.00 0.00 H new ATOM 922 N GLY A 56 5.851 13.077 1.706 1.00 0.00 N ATOM 923 CA GLY A 56 6.748 14.176 2.012 1.00 0.00 C ATOM 924 C GLY A 56 6.055 15.521 1.912 1.00 0.00 C ATOM 925 O GLY A 56 5.201 15.848 2.736 1.00 0.00 O ATOM 0 H GLY A 56 4.874 13.346 1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.148 14.048 3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.596 14.153 1.327 1.00 0.00 H new ATOM 929 N ARG A 57 6.417 16.299 0.896 1.00 0.00 N ATOM 930 CA ARG A 57 5.816 17.610 0.686 1.00 0.00 C ATOM 931 C ARG A 57 5.810 17.972 -0.794 1.00 0.00 C ATOM 932 O ARG A 57 5.895 19.144 -1.159 1.00 0.00 O ATOM 933 CB ARG A 57 6.563 18.678 1.484 1.00 0.00 C ATOM 934 CG ARG A 57 8.073 18.589 1.347 1.00 0.00 C ATOM 935 CD ARG A 57 8.647 19.815 0.654 1.00 0.00 C ATOM 936 NE ARG A 57 9.945 20.198 1.202 1.00 0.00 N ATOM 937 CZ ARG A 57 10.806 21.000 0.579 1.00 0.00 C ATOM 938 NH1 ARG A 57 10.510 21.504 -0.613 1.00 0.00 N ATOM 939 NH2 ARG A 57 11.965 21.300 1.149 1.00 0.00 N ATOM 0 H ARG A 57 7.123 16.043 0.206 1.00 0.00 H new ATOM 0 HA ARG A 57 4.785 17.568 1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.233 19.663 1.155 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.295 18.588 2.537 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.523 18.485 2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.335 17.695 0.781 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.749 19.614 -0.412 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.951 20.648 0.756 1.00 0.00 H new ATOM 0 HE ARG A 57 10.208 19.829 2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.619 21.277 -1.056 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.173 22.118 -1.086 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.197 20.916 2.065 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.624 21.914 0.671 1.00 0.00 H new ATOM 953 N ASP A 58 5.709 16.954 -1.637 1.00 0.00 N ATOM 954 CA ASP A 58 5.691 17.146 -3.078 1.00 0.00 C ATOM 955 C ASP A 58 4.400 16.582 -3.677 1.00 0.00 C ATOM 956 O ASP A 58 3.356 16.576 -3.026 1.00 0.00 O ATOM 957 CB ASP A 58 6.920 16.477 -3.706 1.00 0.00 C ATOM 958 CG ASP A 58 8.194 16.760 -2.933 1.00 0.00 C ATOM 959 OD1 ASP A 58 8.707 17.894 -3.028 1.00 0.00 O ATOM 960 OD2 ASP A 58 8.677 15.846 -2.231 1.00 0.00 O ATOM 0 H ASP A 58 5.638 15.980 -1.343 1.00 0.00 H new ATOM 0 HA ASP A 58 5.725 18.214 -3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.759 15.400 -3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.036 16.827 -4.732 1.00 0.00 H new ATOM 965 N THR A 59 4.480 16.108 -4.916 1.00 0.00 N ATOM 966 CA THR A 59 3.323 15.541 -5.598 1.00 0.00 C ATOM 967 C THR A 59 3.589 14.090 -5.990 1.00 0.00 C ATOM 968 O THR A 59 4.717 13.609 -5.893 1.00 0.00 O ATOM 969 CB THR A 59 2.980 16.362 -6.842 1.00 0.00 C ATOM 970 OG1 THR A 59 1.954 15.735 -7.589 1.00 0.00 O ATOM 971 CG2 THR A 59 4.160 16.571 -7.766 1.00 0.00 C ATOM 0 H THR A 59 5.337 16.106 -5.469 1.00 0.00 H new ATOM 0 HA THR A 59 2.476 15.569 -4.912 1.00 0.00 H new ATOM 0 HB THR A 59 2.658 17.333 -6.467 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.748 16.276 -8.380 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.847 17.161 -8.628 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.951 17.099 -7.233 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.533 15.604 -8.104 1.00 0.00 H new ATOM 979 N GLN A 60 2.547 13.400 -6.442 1.00 0.00 N ATOM 980 CA GLN A 60 2.676 12.011 -6.853 1.00 0.00 C ATOM 981 C GLN A 60 3.197 11.928 -8.279 1.00 0.00 C ATOM 982 O GLN A 60 2.441 12.053 -9.242 1.00 0.00 O ATOM 983 CB GLN A 60 1.333 11.292 -6.752 1.00 0.00 C ATOM 984 CG GLN A 60 0.602 11.539 -5.443 1.00 0.00 C ATOM 985 CD GLN A 60 -0.271 10.368 -5.037 1.00 0.00 C ATOM 986 OE1 GLN A 60 0.112 9.555 -4.196 1.00 0.00 O ATOM 987 NE2 GLN A 60 -1.452 10.275 -5.638 1.00 0.00 N ATOM 0 H GLN A 60 1.605 13.782 -6.532 1.00 0.00 H new ATOM 0 HA GLN A 60 3.386 11.524 -6.185 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.698 11.611 -7.578 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.495 10.221 -6.870 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.330 11.736 -4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.015 12.433 -5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.729 10.972 -6.329 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.082 9.507 -5.408 1.00 0.00 H new ATOM 996 N ILE A 61 4.494 11.710 -8.398 1.00 0.00 N ATOM 997 CA ILE A 61 5.143 11.605 -9.699 1.00 0.00 C ATOM 998 C ILE A 61 4.945 10.220 -10.300 1.00 0.00 C ATOM 999 O ILE A 61 5.805 9.348 -10.172 1.00 0.00 O ATOM 1000 CB ILE A 61 6.653 11.899 -9.602 1.00 0.00 C ATOM 1001 CG1 ILE A 61 7.288 11.066 -8.488 1.00 0.00 C ATOM 1002 CG2 ILE A 61 6.888 13.383 -9.362 1.00 0.00 C ATOM 1003 CD1 ILE A 61 8.676 10.569 -8.823 1.00 0.00 C ATOM 0 H ILE A 61 5.126 11.601 -7.605 1.00 0.00 H new ATOM 0 HA ILE A 61 4.677 12.350 -10.345 1.00 0.00 H new ATOM 0 HB ILE A 61 7.123 11.624 -10.546 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.335 11.665 -7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.647 10.211 -8.274 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.959 13.576 -9.296 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.467 13.956 -10.188 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.407 13.682 -8.430 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.065 9.986 -7.988 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.633 9.943 -9.714 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.332 11.419 -9.008 1.00 0.00 H new ATOM 1015 N GLY A 62 3.808 10.023 -10.958 1.00 0.00 N ATOM 1016 CA GLY A 62 3.520 8.740 -11.571 1.00 0.00 C ATOM 1017 C GLY A 62 3.531 7.603 -10.569 1.00 0.00 C ATOM 1018 O GLY A 62 3.778 6.452 -10.930 1.00 0.00 O ATOM 0 H GLY A 62 3.081 10.728 -11.078 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.545 8.783 -12.056 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.255 8.540 -12.351 1.00 0.00 H new ATOM 1022 N LEU A 63 3.267 7.925 -9.306 1.00 0.00 N ATOM 1023 CA LEU A 63 3.247 6.918 -8.250 1.00 0.00 C ATOM 1024 C LEU A 63 2.235 5.821 -8.565 1.00 0.00 C ATOM 1025 O LEU A 63 1.305 6.027 -9.345 1.00 0.00 O ATOM 1026 CB LEU A 63 2.923 7.566 -6.901 1.00 0.00 C ATOM 1027 CG LEU A 63 4.092 7.629 -5.917 1.00 0.00 C ATOM 1028 CD1 LEU A 63 4.463 6.234 -5.439 1.00 0.00 C ATOM 1029 CD2 LEU A 63 5.292 8.309 -6.559 1.00 0.00 C ATOM 0 H LEU A 63 3.064 8.873 -8.989 1.00 0.00 H new ATOM 0 HA LEU A 63 4.237 6.465 -8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.562 8.579 -7.079 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.106 7.014 -6.437 1.00 0.00 H new ATOM 0 HG LEU A 63 3.783 8.218 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.297 6.299 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.606 5.780 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.753 5.622 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.115 8.345 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.601 7.746 -7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.021 9.323 -6.853 1.00 0.00 H new ATOM 1041 N THR A 64 2.424 4.653 -7.960 1.00 0.00 N ATOM 1042 CA THR A 64 1.529 3.527 -8.187 1.00 0.00 C ATOM 1043 C THR A 64 1.068 2.900 -6.874 1.00 0.00 C ATOM 1044 O THR A 64 1.579 3.223 -5.802 1.00 0.00 O ATOM 1045 CB THR A 64 2.216 2.472 -9.054 1.00 0.00 C ATOM 1046 OG1 THR A 64 3.589 2.362 -8.717 1.00 0.00 O ATOM 1047 CG2 THR A 64 2.128 2.764 -10.535 1.00 0.00 C ATOM 0 H THR A 64 3.187 4.463 -7.311 1.00 0.00 H new ATOM 0 HA THR A 64 0.648 3.906 -8.706 1.00 0.00 H new ATOM 0 HB THR A 64 1.684 1.542 -8.852 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.011 1.681 -9.281 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.636 1.976 -11.092 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.081 2.805 -10.836 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.604 3.722 -10.746 1.00 0.00 H new ATOM 1055 N MET A 65 0.097 1.998 -6.975 1.00 0.00 N ATOM 1056 CA MET A 65 -0.443 1.314 -5.810 1.00 0.00 C ATOM 1057 C MET A 65 -0.258 -0.194 -5.940 1.00 0.00 C ATOM 1058 O MET A 65 -0.150 -0.718 -7.049 1.00 0.00 O ATOM 1059 CB MET A 65 -1.928 1.648 -5.642 1.00 0.00 C ATOM 1060 CG MET A 65 -2.190 3.115 -5.347 1.00 0.00 C ATOM 1061 SD MET A 65 -2.594 4.059 -6.829 1.00 0.00 S ATOM 1062 CE MET A 65 -2.995 5.653 -6.118 1.00 0.00 C ATOM 0 H MET A 65 -0.333 1.724 -7.858 1.00 0.00 H new ATOM 0 HA MET A 65 0.099 1.656 -4.928 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.460 1.368 -6.551 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.339 1.044 -4.833 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.010 3.197 -4.633 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.310 3.549 -4.873 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.976 5.972 -6.470 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.008 5.574 -5.031 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.246 6.385 -6.420 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.208 -0.917 -4.808 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.329 -0.344 -3.468 1.00 0.00 C ATOM 1074 C PRO A 66 0.977 0.262 -2.964 1.00 0.00 C ATOM 1075 O PRO A 66 2.066 -0.168 -3.346 1.00 0.00 O ATOM 1076 CB PRO A 66 -0.725 -1.548 -2.594 1.00 0.00 C ATOM 1077 CG PRO A 66 -0.857 -2.707 -3.530 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.041 -2.366 -4.739 1.00 0.00 C ATOM 0 HA PRO A 66 -1.048 0.475 -3.449 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.031 -1.744 -1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.662 -1.360 -2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.498 -3.625 -3.065 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.900 -2.873 -3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.004 -2.653 -4.622 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.410 -2.864 -5.636 1.00 0.00 H new ATOM 1086 N GLN A 67 0.853 1.254 -2.089 1.00 0.00 N ATOM 1087 CA GLN A 67 2.010 1.917 -1.508 1.00 0.00 C ATOM 1088 C GLN A 67 2.148 1.541 -0.037 1.00 0.00 C ATOM 1089 O GLN A 67 1.300 1.893 0.782 1.00 0.00 O ATOM 1090 CB GLN A 67 1.884 3.434 -1.654 1.00 0.00 C ATOM 1091 CG GLN A 67 2.608 3.991 -2.869 1.00 0.00 C ATOM 1092 CD GLN A 67 2.127 5.378 -3.249 1.00 0.00 C ATOM 1093 OE1 GLN A 67 2.421 6.360 -2.565 1.00 0.00 O ATOM 1094 NE2 GLN A 67 1.381 5.466 -4.344 1.00 0.00 N ATOM 0 H GLN A 67 -0.044 1.617 -1.766 1.00 0.00 H new ATOM 0 HA GLN A 67 2.902 1.589 -2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.828 3.698 -1.718 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.278 3.911 -0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.678 4.025 -2.666 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.465 3.317 -3.713 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.162 4.627 -4.881 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.027 6.373 -4.649 1.00 0.00 H new ATOM 1103 N VAL A 68 3.205 0.812 0.289 1.00 0.00 N ATOM 1104 CA VAL A 68 3.430 0.384 1.663 1.00 0.00 C ATOM 1105 C VAL A 68 4.273 1.396 2.430 1.00 0.00 C ATOM 1106 O VAL A 68 4.884 2.284 1.837 1.00 0.00 O ATOM 1107 CB VAL A 68 4.117 -0.998 1.720 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.942 -1.628 3.093 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.573 -1.916 0.637 1.00 0.00 C ATOM 0 H VAL A 68 3.917 0.506 -0.374 1.00 0.00 H new ATOM 0 HA VAL A 68 2.449 0.311 2.132 1.00 0.00 H new ATOM 0 HB VAL A 68 5.183 -0.855 1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.433 -2.601 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.387 -0.982 3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.880 -1.754 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.071 -2.884 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.501 -2.051 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.757 -1.473 -0.342 1.00 0.00 H new ATOM 1119 N PHE A 69 4.306 1.254 3.755 1.00 0.00 N ATOM 1120 CA PHE A 69 5.082 2.159 4.598 1.00 0.00 C ATOM 1121 C PHE A 69 5.739 1.395 5.745 1.00 0.00 C ATOM 1122 O PHE A 69 5.145 0.485 6.324 1.00 0.00 O ATOM 1123 CB PHE A 69 4.188 3.266 5.154 1.00 0.00 C ATOM 1124 CG PHE A 69 3.823 4.291 4.129 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.662 5.362 3.881 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.651 4.176 3.401 1.00 0.00 C ATOM 1127 CE1 PHE A 69 4.336 6.306 2.924 1.00 0.00 C ATOM 1128 CE2 PHE A 69 2.319 5.113 2.445 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.161 6.180 2.205 1.00 0.00 C ATOM 0 H PHE A 69 3.807 0.525 4.264 1.00 0.00 H new ATOM 0 HA PHE A 69 5.863 2.609 3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.277 2.822 5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.698 3.755 5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.581 5.462 4.440 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.989 3.343 3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.997 7.139 2.739 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.401 5.012 1.885 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.903 6.915 1.457 1.00 0.00 H new ATOM 1139 N ALA A 70 6.984 1.756 6.043 1.00 0.00 N ATOM 1140 CA ALA A 70 7.755 1.094 7.093 1.00 0.00 C ATOM 1141 C ALA A 70 7.107 1.232 8.469 1.00 0.00 C ATOM 1142 O ALA A 70 6.333 2.157 8.716 1.00 0.00 O ATOM 1143 CB ALA A 70 9.173 1.641 7.122 1.00 0.00 C ATOM 0 H ALA A 70 7.484 2.508 5.569 1.00 0.00 H new ATOM 0 HA ALA A 70 7.778 0.030 6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.740 1.141 7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.652 1.462 6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.146 2.713 7.320 1.00 0.00 H new ATOM 1149 N PRO A 71 7.434 0.301 9.387 1.00 0.00 N ATOM 1150 CA PRO A 71 6.905 0.304 10.759 1.00 0.00 C ATOM 1151 C PRO A 71 7.181 1.620 11.480 1.00 0.00 C ATOM 1152 O PRO A 71 6.397 2.052 12.324 1.00 0.00 O ATOM 1153 CB PRO A 71 7.666 -0.845 11.435 1.00 0.00 C ATOM 1154 CG PRO A 71 8.075 -1.736 10.317 1.00 0.00 C ATOM 1155 CD PRO A 71 8.360 -0.824 9.160 1.00 0.00 C ATOM 0 HA PRO A 71 5.822 0.187 10.780 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.532 -0.477 11.985 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.034 -1.372 12.150 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.956 -2.320 10.583 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.285 -2.446 10.072 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.399 -0.496 9.152 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.173 -1.314 8.204 1.00 0.00 H new ATOM 1163 N ASP A 72 8.300 2.251 11.142 1.00 0.00 N ATOM 1164 CA ASP A 72 8.681 3.518 11.758 1.00 0.00 C ATOM 1165 C ASP A 72 7.908 4.683 11.148 1.00 0.00 C ATOM 1166 O ASP A 72 7.561 5.639 11.841 1.00 0.00 O ATOM 1167 CB ASP A 72 10.185 3.751 11.605 1.00 0.00 C ATOM 1168 CG ASP A 72 10.610 3.851 10.153 1.00 0.00 C ATOM 1169 OD1 ASP A 72 9.872 3.344 9.282 1.00 0.00 O ATOM 1170 OD2 ASP A 72 11.681 4.436 9.886 1.00 0.00 O ATOM 0 H ASP A 72 8.960 1.906 10.445 1.00 0.00 H new ATOM 0 HA ASP A 72 8.433 3.463 12.818 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.463 4.667 12.126 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.727 2.935 12.084 1.00 0.00 H new ATOM 1175 N GLY A 73 7.644 4.600 9.848 1.00 0.00 N ATOM 1176 CA GLY A 73 6.913 5.658 9.177 1.00 0.00 C ATOM 1177 C GLY A 73 7.615 6.158 7.929 1.00 0.00 C ATOM 1178 O GLY A 73 7.650 7.360 7.667 1.00 0.00 O ATOM 0 H GLY A 73 7.922 3.822 9.250 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.921 5.294 8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.772 6.490 9.867 1.00 0.00 H new ATOM 1182 N SER A 74 8.170 5.232 7.154 1.00 0.00 N ATOM 1183 CA SER A 74 8.872 5.577 5.919 1.00 0.00 C ATOM 1184 C SER A 74 8.216 4.892 4.725 1.00 0.00 C ATOM 1185 O SER A 74 7.365 4.024 4.896 1.00 0.00 O ATOM 1186 CB SER A 74 10.342 5.168 6.011 1.00 0.00 C ATOM 1187 OG SER A 74 10.879 5.470 7.287 1.00 0.00 O ATOM 0 H SER A 74 8.148 4.233 7.359 1.00 0.00 H new ATOM 0 HA SER A 74 8.814 6.657 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.438 4.100 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.915 5.685 5.241 1.00 0.00 H new ATOM 0 HG SER A 74 11.820 5.197 7.319 1.00 0.00 H new ATOM 1193 N HIS A 75 8.612 5.293 3.522 1.00 0.00 N ATOM 1194 CA HIS A 75 8.059 4.717 2.300 1.00 0.00 C ATOM 1195 C HIS A 75 8.880 3.511 1.850 1.00 0.00 C ATOM 1196 O HIS A 75 10.063 3.638 1.537 1.00 0.00 O ATOM 1197 CB HIS A 75 8.027 5.772 1.195 1.00 0.00 C ATOM 1198 CG HIS A 75 7.150 5.408 0.037 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.373 5.825 -1.256 1.00 0.00 N ATOM 1200 CD2 HIS A 75 6.022 4.653 -0.003 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.396 5.325 -2.024 1.00 0.00 C ATOM 1202 NE2 HIS A 75 5.550 4.605 -1.312 1.00 0.00 N ATOM 0 H HIS A 75 9.315 6.016 3.366 1.00 0.00 H new ATOM 0 HA HIS A 75 7.042 4.382 2.505 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.683 6.716 1.617 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.042 5.936 0.833 1.00 0.00 H new ATOM 0 HD1 HIS A 75 8.145 6.411 -1.573 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.564 4.167 0.846 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.312 5.490 -3.088 1.00 0.00 H new ATOM 1210 N ILE A 76 8.245 2.342 1.822 1.00 0.00 N ATOM 1211 CA ILE A 76 8.923 1.116 1.407 1.00 0.00 C ATOM 1212 C ILE A 76 8.782 0.897 -0.092 1.00 0.00 C ATOM 1213 O ILE A 76 9.761 0.628 -0.788 1.00 0.00 O ATOM 1214 CB ILE A 76 8.365 -0.123 2.133 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.301 0.112 3.641 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.211 -1.348 1.818 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.438 -0.900 4.362 1.00 0.00 C ATOM 0 H ILE A 76 7.266 2.217 2.080 1.00 0.00 H new ATOM 0 HA ILE A 76 9.973 1.241 1.670 1.00 0.00 H new ATOM 0 HB ILE A 76 7.351 -0.300 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.310 0.078 4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.913 1.113 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.804 -2.215 2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.200 -1.531 0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.236 -1.176 2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.433 -0.679 5.429 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.420 -0.850 3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.839 -1.901 4.200 1.00 0.00 H new ATOM 1229 N GLY A 77 7.552 1.000 -0.580 1.00 0.00 N ATOM 1230 CA GLY A 77 7.297 0.801 -1.994 1.00 0.00 C ATOM 1231 C GLY A 77 6.141 -0.142 -2.250 1.00 0.00 C ATOM 1232 O GLY A 77 5.216 -0.240 -1.443 1.00 0.00 O ATOM 0 H GLY A 77 6.726 1.218 -0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.086 1.763 -2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.195 0.406 -2.469 1.00 0.00 H new ATOM 1236 N GLY A 78 6.192 -0.828 -3.383 1.00 0.00 N ATOM 1237 CA GLY A 78 5.137 -1.760 -3.740 1.00 0.00 C ATOM 1238 C GLY A 78 5.465 -3.189 -3.350 1.00 0.00 C ATOM 1239 O GLY A 78 6.165 -3.426 -2.365 1.00 0.00 O ATOM 0 H GLY A 78 6.947 -0.757 -4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.210 -1.458 -3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.963 -1.711 -4.815 1.00 0.00 H new ATOM 1243 N PHE A 79 4.956 -4.145 -4.123 1.00 0.00 N ATOM 1244 CA PHE A 79 5.197 -5.558 -3.852 1.00 0.00 C ATOM 1245 C PHE A 79 6.676 -5.894 -4.008 1.00 0.00 C ATOM 1246 O PHE A 79 7.368 -6.163 -3.025 1.00 0.00 O ATOM 1247 CB PHE A 79 4.361 -6.431 -4.790 1.00 0.00 C ATOM 1248 CG PHE A 79 4.576 -7.905 -4.595 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.603 -8.453 -3.321 1.00 0.00 C ATOM 1250 CD2 PHE A 79 4.751 -8.742 -5.685 1.00 0.00 C ATOM 1251 CE1 PHE A 79 4.800 -9.810 -3.140 1.00 0.00 C ATOM 1252 CE2 PHE A 79 4.949 -10.099 -5.510 1.00 0.00 C ATOM 1253 CZ PHE A 79 4.974 -10.633 -4.236 1.00 0.00 C ATOM 0 H PHE A 79 4.374 -3.966 -4.942 1.00 0.00 H new ATOM 0 HA PHE A 79 4.902 -5.761 -2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.306 -6.204 -4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.599 -6.171 -5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.469 -7.813 -2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.733 -8.330 -6.683 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.818 -10.226 -2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.084 -10.741 -6.368 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.129 -11.693 -4.097 1.00 0.00 H new ATOM 1263 N ASP A 80 7.157 -5.875 -5.247 1.00 0.00 N ATOM 1264 CA ASP A 80 8.557 -6.177 -5.528 1.00 0.00 C ATOM 1265 C ASP A 80 9.473 -5.248 -4.739 1.00 0.00 C ATOM 1266 O ASP A 80 10.441 -5.691 -4.116 1.00 0.00 O ATOM 1267 CB ASP A 80 8.839 -6.043 -7.026 1.00 0.00 C ATOM 1268 CG ASP A 80 10.263 -6.424 -7.382 1.00 0.00 C ATOM 1269 OD1 ASP A 80 10.557 -7.637 -7.436 1.00 0.00 O ATOM 1270 OD2 ASP A 80 11.084 -5.510 -7.608 1.00 0.00 O ATOM 0 H ASP A 80 6.599 -5.654 -6.072 1.00 0.00 H new ATOM 0 HA ASP A 80 8.755 -7.204 -5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.147 -6.676 -7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.652 -5.015 -7.338 1.00 0.00 H new ATOM 1275 N GLN A 81 9.157 -3.957 -4.765 1.00 0.00 N ATOM 1276 CA GLN A 81 9.946 -2.964 -4.046 1.00 0.00 C ATOM 1277 C GLN A 81 10.029 -3.325 -2.568 1.00 0.00 C ATOM 1278 O GLN A 81 11.056 -3.115 -1.923 1.00 0.00 O ATOM 1279 CB GLN A 81 9.333 -1.571 -4.212 1.00 0.00 C ATOM 1280 CG GLN A 81 10.366 -0.466 -4.365 1.00 0.00 C ATOM 1281 CD GLN A 81 10.440 0.071 -5.782 1.00 0.00 C ATOM 1282 OE1 GLN A 81 9.901 -0.527 -6.714 1.00 0.00 O ATOM 1283 NE2 GLN A 81 11.109 1.206 -5.950 1.00 0.00 N ATOM 0 H GLN A 81 8.361 -3.575 -5.276 1.00 0.00 H new ATOM 0 HA GLN A 81 10.953 -2.955 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.682 -1.572 -5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.706 -1.354 -3.347 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.124 0.350 -3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.345 -0.846 -4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.540 1.667 -5.149 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.192 1.616 -6.880 1.00 0.00 H new ATOM 1292 N LEU A 82 8.941 -3.881 -2.040 1.00 0.00 N ATOM 1293 CA LEU A 82 8.895 -4.279 -0.640 1.00 0.00 C ATOM 1294 C LEU A 82 9.657 -5.576 -0.409 1.00 0.00 C ATOM 1295 O LEU A 82 10.326 -5.732 0.610 1.00 0.00 O ATOM 1296 CB LEU A 82 7.463 -4.425 -0.159 1.00 0.00 C ATOM 1297 CG LEU A 82 7.360 -4.881 1.290 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.356 -4.047 2.057 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.012 -6.350 1.339 1.00 0.00 C ATOM 0 H LEU A 82 8.083 -4.065 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 82 9.376 -3.489 -0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.950 -3.469 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.944 -5.141 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 82 8.327 -4.738 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.305 -4.397 3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.665 -3.002 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.374 -4.141 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.939 -6.672 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.057 -6.514 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.788 -6.925 0.834 1.00 0.00 H new ATOM 1311 N ARG A 83 9.582 -6.501 -1.361 1.00 0.00 N ATOM 1312 CA ARG A 83 10.304 -7.762 -1.231 1.00 0.00 C ATOM 1313 C ARG A 83 11.768 -7.470 -0.930 1.00 0.00 C ATOM 1314 O ARG A 83 12.430 -8.216 -0.211 1.00 0.00 O ATOM 1315 CB ARG A 83 10.177 -8.596 -2.509 1.00 0.00 C ATOM 1316 CG ARG A 83 9.066 -9.632 -2.447 1.00 0.00 C ATOM 1317 CD ARG A 83 9.445 -10.900 -3.195 1.00 0.00 C ATOM 1318 NE ARG A 83 8.288 -11.759 -3.435 1.00 0.00 N ATOM 1319 CZ ARG A 83 8.302 -12.811 -4.252 1.00 0.00 C ATOM 1320 NH1 ARG A 83 9.410 -13.134 -4.910 1.00 0.00 N ATOM 1321 NH2 ARG A 83 7.207 -13.540 -4.412 1.00 0.00 N ATOM 0 H ARG A 83 9.038 -6.404 -2.218 1.00 0.00 H new ATOM 0 HA ARG A 83 9.872 -8.338 -0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.995 -7.930 -3.352 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.124 -9.101 -2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.849 -9.873 -1.406 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.154 -9.215 -2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.904 -10.636 -4.147 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.192 -11.449 -2.622 1.00 0.00 H new ATOM 0 HE ARG A 83 7.419 -11.540 -2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.255 -12.575 -4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.416 -13.941 -5.534 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.354 -13.296 -3.910 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.218 -14.346 -5.038 1.00 0.00 H new ATOM 1335 N GLU A 84 12.251 -6.347 -1.460 1.00 0.00 N ATOM 1336 CA GLU A 84 13.621 -5.919 -1.221 1.00 0.00 C ATOM 1337 C GLU A 84 13.758 -5.465 0.228 1.00 0.00 C ATOM 1338 O GLU A 84 14.796 -5.661 0.860 1.00 0.00 O ATOM 1339 CB GLU A 84 14.004 -4.783 -2.171 1.00 0.00 C ATOM 1340 CG GLU A 84 13.999 -5.189 -3.636 1.00 0.00 C ATOM 1341 CD GLU A 84 15.045 -4.452 -4.449 1.00 0.00 C ATOM 1342 OE1 GLU A 84 16.165 -4.254 -3.935 1.00 0.00 O ATOM 1343 OE2 GLU A 84 14.743 -4.073 -5.600 1.00 0.00 O ATOM 0 H GLU A 84 11.711 -5.720 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 84 14.295 -6.755 -1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.311 -3.953 -2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.997 -4.418 -1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.175 -6.262 -3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.013 -4.996 -4.059 1.00 0.00 H new ATOM 1350 N TYR A 85 12.681 -4.880 0.755 1.00 0.00 N ATOM 1351 CA TYR A 85 12.650 -4.422 2.135 1.00 0.00 C ATOM 1352 C TYR A 85 12.708 -5.625 3.076 1.00 0.00 C ATOM 1353 O TYR A 85 13.196 -5.528 4.201 1.00 0.00 O ATOM 1354 CB TYR A 85 11.371 -3.613 2.370 1.00 0.00 C ATOM 1355 CG TYR A 85 11.258 -2.995 3.743 1.00 0.00 C ATOM 1356 CD1 TYR A 85 10.806 -3.739 4.824 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.580 -1.661 3.953 1.00 0.00 C ATOM 1358 CE1 TYR A 85 10.685 -3.173 6.078 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.459 -1.086 5.203 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.012 -1.846 6.263 1.00 0.00 C ATOM 1361 OH TYR A 85 10.890 -1.277 7.510 1.00 0.00 O ATOM 0 H TYR A 85 11.817 -4.714 0.239 1.00 0.00 H new ATOM 0 HA TYR A 85 13.512 -3.785 2.335 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.317 -2.820 1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.511 -4.263 2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.545 -4.777 4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.931 -1.063 3.125 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.336 -3.767 6.910 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.713 -0.047 5.349 1.00 0.00 H new ATOM 0 HH TYR A 85 11.375 -0.426 7.530 1.00 0.00 H new ATOM 1371 N PHE A 86 12.215 -6.762 2.585 1.00 0.00 N ATOM 1372 CA PHE A 86 12.204 -8.010 3.343 1.00 0.00 C ATOM 1373 C PHE A 86 13.359 -8.927 2.948 1.00 0.00 C ATOM 1374 O PHE A 86 13.696 -9.858 3.679 1.00 0.00 O ATOM 1375 CB PHE A 86 10.874 -8.736 3.140 1.00 0.00 C ATOM 1376 CG PHE A 86 9.797 -8.263 4.067 1.00 0.00 C ATOM 1377 CD1 PHE A 86 9.704 -8.783 5.347 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.890 -7.298 3.671 1.00 0.00 C ATOM 1379 CE1 PHE A 86 8.722 -8.351 6.214 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.905 -6.862 4.535 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.822 -7.390 5.808 1.00 0.00 C ATOM 0 H PHE A 86 11.813 -6.842 1.651 1.00 0.00 H new ATOM 0 HA PHE A 86 12.326 -7.755 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.545 -8.597 2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.025 -9.806 3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.408 -9.535 5.670 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.952 -6.881 2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.659 -8.765 7.209 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.200 -6.109 4.215 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.052 -7.050 6.485 1.00 0.00 H new ATOM 1391 N LYS A 87 13.957 -8.668 1.791 1.00 0.00 N ATOM 1392 CA LYS A 87 15.067 -9.483 1.312 1.00 0.00 C ATOM 1393 C LYS A 87 14.624 -10.926 1.091 1.00 0.00 C ATOM 1394 O LYS A 87 14.321 -11.281 -0.067 1.00 0.00 O ATOM 1395 CB LYS A 87 16.226 -9.443 2.311 1.00 0.00 C ATOM 1396 CG LYS A 87 17.193 -8.297 2.074 1.00 0.00 C ATOM 1397 CD LYS A 87 18.323 -8.304 3.089 1.00 0.00 C ATOM 1398 CE LYS A 87 19.599 -7.723 2.506 1.00 0.00 C ATOM 1399 NZ LYS A 87 20.377 -8.741 1.746 1.00 0.00 N ATOM 1400 OXT LYS A 87 14.582 -11.689 2.079 1.00 0.00 O ATOM 0 H LYS A 87 13.693 -7.903 1.169 1.00 0.00 H new ATOM 0 HA LYS A 87 15.402 -9.072 0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.822 -9.364 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.772 -10.385 2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.606 -8.370 1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.657 -7.350 2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.028 -7.729 3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.507 -9.325 3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 87 19.351 -6.890 1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 87 20.215 -7.321 3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 21.240 -8.304 1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 20.636 -9.524 2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 19.799 -9.106 0.963 1.00 0.00 H new