USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 726 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 29 CYS SG : rot 79:sc= 1.03 USER MOD Set 1.2: A 81 TYR OH : rot 180:sc= 0.00354 USER MOD Set 2.1: A 23 THR OG1 : rot -70:sc= -2.56! USER MOD Set 2.2: A 31 MET CE :methyl 180:sc= -0.341 (180deg=-0.341) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -114:sc= 0.863 (180deg=-0.085) USER MOD Set 3.2: A 78 THR OG1 : rot 180:sc= 0.803 USER MOD Single : A 0 THR OG1 : rot 74:sc= 0.762 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0459 USER MOD Single : A 9 SER OG : rot -110:sc= 1.28 USER MOD Single : A -5 GLY N :NH3+ 174:sc= 1.25 (180deg=1.19) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -178:sc= -2.04 (180deg=-2.13) USER MOD Single : A 18 GLN : amide:sc= -2.31! K(o=-2.3!,f=-0.17) USER MOD Single : A 22 SER OG : rot -29:sc= 0.721 USER MOD Single : A 24 MET CE :methyl -169:sc= -0.0784 (180deg=-0.262) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0114 K(o=-0.011,f=-0.61) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 0.786 (180deg=0.578) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0.172 (180deg=-0.126) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 130:sc= 0.92 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.0122 K(o=0.012,f=-4.3!) USER MOD Single : A 79 MET CE :methyl 162:sc= -2.94! (180deg=-3.66!) USER MOD Single : A 83 LYS NZ :NH3+ 155:sc= 2.3 (180deg=1.73) USER MOD Single : A 84 LYS NZ :NH3+ -164:sc= 0.434 (180deg=0.11) USER MOD Single : A 85 GLN : amide:sc= -1.22! K(o=-1.2!,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 9.095 10.940 6.209 1.00 1.00 N ATOM 2 CA GLY A -5 9.566 9.535 6.189 1.00 1.00 C ATOM 3 C GLY A -5 10.584 9.299 5.094 1.00 1.00 C ATOM 4 O GLY A -5 11.080 10.250 4.488 1.00 1.00 O ATOM 0 H1 GLY A -5 8.327 11.039 6.903 1.00 1.00 H new ATOM 0 H2 GLY A -5 9.882 11.566 6.472 1.00 1.00 H new ATOM 0 H3 GLY A -5 8.745 11.202 5.266 1.00 1.00 H new ATOM 0 HA2 GLY A -5 10.006 9.285 7.154 1.00 1.00 H new ATOM 0 HA3 GLY A -5 8.716 8.869 6.045 1.00 1.00 H new ATOM 10 N ILE A -4 10.901 8.037 4.833 1.00 1.00 N ATOM 11 CA ILE A -4 11.902 7.690 3.830 1.00 1.00 C ATOM 12 C ILE A -4 11.392 6.585 2.910 1.00 1.00 C ATOM 13 O ILE A -4 10.618 5.721 3.331 1.00 1.00 O ATOM 14 CB ILE A -4 13.253 7.250 4.462 1.00 1.00 C ATOM 15 CG1 ILE A -4 13.130 5.913 5.220 1.00 1.00 C ATOM 16 CG2 ILE A -4 13.790 8.337 5.382 1.00 1.00 C ATOM 17 CD1 ILE A -4 12.342 5.985 6.514 1.00 1.00 C ATOM 0 H ILE A -4 10.479 7.235 5.302 1.00 1.00 H new ATOM 0 HA ILE A -4 12.081 8.596 3.252 1.00 1.00 H new ATOM 0 HB ILE A -4 13.958 7.096 3.645 1.00 1.00 H new ATOM 0 HG12 ILE A -4 12.658 5.182 4.564 1.00 1.00 H new ATOM 0 HG13 ILE A -4 14.131 5.543 5.441 1.00 1.00 H new ATOM 0 HG21 ILE A -4 14.736 8.012 5.816 1.00 1.00 H new ATOM 0 HG22 ILE A -4 13.948 9.252 4.811 1.00 1.00 H new ATOM 0 HG23 ILE A -4 13.071 8.527 6.179 1.00 1.00 H new ATOM 0 HD11 ILE A -4 12.309 4.998 6.976 1.00 1.00 H new ATOM 0 HD12 ILE A -4 12.823 6.688 7.194 1.00 1.00 H new ATOM 0 HD13 ILE A -4 11.327 6.321 6.303 1.00 1.00 H new ATOM 29 N ASP A -3 11.819 6.626 1.654 1.00 1.00 N ATOM 30 CA ASP A -3 11.432 5.612 0.675 1.00 1.00 C ATOM 31 C ASP A -3 12.061 4.266 1.024 1.00 1.00 C ATOM 32 O ASP A -3 13.281 4.154 1.142 1.00 1.00 O ATOM 33 CB ASP A -3 11.856 6.042 -0.732 1.00 1.00 C ATOM 34 CG ASP A -3 11.392 5.074 -1.804 1.00 1.00 C ATOM 35 OD1 ASP A -3 10.197 5.106 -2.163 1.00 1.00 O ATOM 36 OD2 ASP A -3 12.222 4.293 -2.309 1.00 1.00 O ATOM 0 H ASP A -3 12.435 7.351 1.287 1.00 1.00 H new ATOM 0 HA ASP A -3 10.347 5.507 0.698 1.00 1.00 H new ATOM 0 HB2 ASP A -3 11.452 7.032 -0.942 1.00 1.00 H new ATOM 0 HB3 ASP A -3 12.942 6.127 -0.770 1.00 1.00 H new ATOM 41 N PRO A -2 11.228 3.238 1.234 1.00 1.00 N ATOM 42 CA PRO A -2 11.679 1.903 1.632 1.00 1.00 C ATOM 43 C PRO A -2 12.255 1.093 0.474 1.00 1.00 C ATOM 44 O PRO A -2 11.861 1.269 -0.682 1.00 1.00 O ATOM 45 CB PRO A -2 10.405 1.230 2.164 1.00 1.00 C ATOM 46 CG PRO A -2 9.346 2.284 2.145 1.00 1.00 C ATOM 47 CD PRO A -2 9.773 3.289 1.121 1.00 1.00 C ATOM 0 HA PRO A -2 12.488 1.964 2.360 1.00 1.00 H new ATOM 0 HB2 PRO A -2 10.122 0.381 1.541 1.00 1.00 H new ATOM 0 HB3 PRO A -2 10.558 0.848 3.173 1.00 1.00 H new ATOM 0 HG2 PRO A -2 8.376 1.857 1.890 1.00 1.00 H new ATOM 0 HG3 PRO A -2 9.242 2.748 3.126 1.00 1.00 H new ATOM 0 HD2 PRO A -2 9.432 3.022 0.121 1.00 1.00 H new ATOM 0 HD3 PRO A -2 9.382 4.283 1.337 1.00 1.00 H new ATOM 55 N PHE A -1 13.182 0.196 0.809 1.00 1.00 N ATOM 56 CA PHE A -1 13.859 -0.654 -0.172 1.00 1.00 C ATOM 57 C PHE A -1 14.881 -1.550 0.523 1.00 1.00 C ATOM 58 O PHE A -1 15.746 -2.141 -0.124 1.00 1.00 O ATOM 59 CB PHE A -1 14.565 0.191 -1.247 1.00 1.00 C ATOM 60 CG PHE A -1 15.687 1.054 -0.728 1.00 1.00 C ATOM 61 CD1 PHE A -1 15.423 2.278 -0.140 1.00 1.00 C ATOM 62 CD2 PHE A -1 17.005 0.640 -0.839 1.00 1.00 C ATOM 63 CE1 PHE A -1 16.449 3.073 0.331 1.00 1.00 C ATOM 64 CE2 PHE A -1 18.035 1.431 -0.368 1.00 1.00 C ATOM 65 CZ PHE A -1 17.756 2.649 0.218 1.00 1.00 C ATOM 0 H PHE A -1 13.486 0.037 1.770 1.00 1.00 H new ATOM 0 HA PHE A -1 13.102 -1.271 -0.657 1.00 1.00 H new ATOM 0 HB2 PHE A -1 14.961 -0.476 -2.013 1.00 1.00 H new ATOM 0 HB3 PHE A -1 13.827 0.830 -1.732 1.00 1.00 H new ATOM 0 HD1 PHE A -1 14.401 2.616 -0.048 1.00 1.00 H new ATOM 0 HD2 PHE A -1 17.229 -0.311 -1.299 1.00 1.00 H new ATOM 0 HE1 PHE A -1 16.228 4.026 0.788 1.00 1.00 H new ATOM 0 HE2 PHE A -1 19.058 1.096 -0.458 1.00 1.00 H new ATOM 0 HZ PHE A -1 18.560 3.269 0.587 1.00 1.00 H new ATOM 75 N THR A 0 14.760 -1.668 1.836 1.00 1.00 N ATOM 76 CA THR A 0 15.778 -2.324 2.642 1.00 1.00 C ATOM 77 C THR A 0 15.675 -3.841 2.537 1.00 1.00 C ATOM 78 O THR A 0 14.650 -4.422 2.894 1.00 1.00 O ATOM 79 CB THR A 0 15.643 -1.910 4.116 1.00 1.00 C ATOM 80 OG1 THR A 0 15.216 -0.541 4.191 1.00 1.00 O ATOM 81 CG2 THR A 0 16.963 -2.075 4.854 1.00 1.00 C ATOM 0 H THR A 0 13.964 -1.317 2.368 1.00 1.00 H new ATOM 0 HA THR A 0 16.750 -2.011 2.260 1.00 1.00 H new ATOM 0 HB THR A 0 14.904 -2.556 4.590 1.00 1.00 H new ATOM 0 HG1 THR A 0 14.270 -0.479 3.943 1.00 1.00 H new ATOM 0 HG21 THR A 0 16.838 -1.775 5.894 1.00 1.00 H new ATOM 0 HG22 THR A 0 17.275 -3.119 4.812 1.00 1.00 H new ATOM 0 HG23 THR A 0 17.723 -1.450 4.385 1.00 1.00 H new ATOM 89 N MET A 1 16.740 -4.473 2.040 1.00 1.00 N ATOM 90 CA MET A 1 16.797 -5.930 1.930 1.00 1.00 C ATOM 91 C MET A 1 15.624 -6.431 1.094 1.00 1.00 C ATOM 92 O MET A 1 15.335 -5.884 0.029 1.00 1.00 O ATOM 93 CB MET A 1 16.776 -6.567 3.327 1.00 1.00 C ATOM 94 CG MET A 1 17.910 -6.101 4.225 1.00 1.00 C ATOM 95 SD MET A 1 17.785 -6.746 5.905 1.00 1.00 S ATOM 96 CE MET A 1 19.218 -5.976 6.657 1.00 1.00 C ATOM 0 H MET A 1 17.577 -3.995 1.706 1.00 1.00 H new ATOM 0 HA MET A 1 17.726 -6.216 1.436 1.00 1.00 H new ATOM 0 HB2 MET A 1 15.825 -6.337 3.808 1.00 1.00 H new ATOM 0 HB3 MET A 1 16.827 -7.651 3.224 1.00 1.00 H new ATOM 0 HG2 MET A 1 18.861 -6.411 3.792 1.00 1.00 H new ATOM 0 HG3 MET A 1 17.916 -5.012 4.259 1.00 1.00 H new ATOM 0 HE1 MET A 1 19.285 -6.275 7.703 1.00 1.00 H new ATOM 0 HE2 MET A 1 20.119 -6.292 6.131 1.00 1.00 H new ATOM 0 HE3 MET A 1 19.123 -4.892 6.595 1.00 1.00 H new ATOM 106 N VAL A 2 14.959 -7.472 1.571 1.00 1.00 N ATOM 107 CA VAL A 2 13.747 -7.950 0.930 1.00 1.00 C ATOM 108 C VAL A 2 12.595 -6.977 1.202 1.00 1.00 C ATOM 109 O VAL A 2 12.134 -6.832 2.336 1.00 1.00 O ATOM 110 CB VAL A 2 13.376 -9.389 1.384 1.00 1.00 C ATOM 111 CG1 VAL A 2 13.265 -9.493 2.903 1.00 1.00 C ATOM 112 CG2 VAL A 2 12.084 -9.846 0.719 1.00 1.00 C ATOM 0 H VAL A 2 15.238 -8.000 2.398 1.00 1.00 H new ATOM 0 HA VAL A 2 13.931 -7.995 -0.143 1.00 1.00 H new ATOM 0 HB VAL A 2 14.184 -10.050 1.069 1.00 1.00 H new ATOM 0 HG11 VAL A 2 13.004 -10.515 3.180 1.00 1.00 H new ATOM 0 HG12 VAL A 2 14.220 -9.227 3.357 1.00 1.00 H new ATOM 0 HG13 VAL A 2 12.492 -8.812 3.259 1.00 1.00 H new ATOM 0 HG21 VAL A 2 11.842 -10.856 1.050 1.00 1.00 H new ATOM 0 HG22 VAL A 2 11.274 -9.170 0.994 1.00 1.00 H new ATOM 0 HG23 VAL A 2 12.210 -9.840 -0.364 1.00 1.00 H new ATOM 122 N ALA A 3 12.167 -6.283 0.161 1.00 1.00 N ATOM 123 CA ALA A 3 11.102 -5.303 0.284 1.00 1.00 C ATOM 124 C ALA A 3 9.883 -5.732 -0.519 1.00 1.00 C ATOM 125 O ALA A 3 10.008 -6.282 -1.616 1.00 1.00 O ATOM 126 CB ALA A 3 11.587 -3.934 -0.173 1.00 1.00 C ATOM 0 H ALA A 3 12.543 -6.381 -0.782 1.00 1.00 H new ATOM 0 HA ALA A 3 10.814 -5.237 1.333 1.00 1.00 H new ATOM 0 HB1 ALA A 3 10.778 -3.210 -0.075 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.430 -3.622 0.444 1.00 1.00 H new ATOM 0 HB3 ALA A 3 11.901 -3.989 -1.215 1.00 1.00 H new ATOM 132 N LEU A 4 8.711 -5.487 0.038 1.00 1.00 N ATOM 133 CA LEU A 4 7.465 -5.821 -0.619 1.00 1.00 C ATOM 134 C LEU A 4 7.130 -4.768 -1.664 1.00 1.00 C ATOM 135 O LEU A 4 6.695 -3.664 -1.335 1.00 1.00 O ATOM 136 CB LEU A 4 6.325 -5.927 0.403 1.00 1.00 C ATOM 137 CG LEU A 4 6.310 -7.196 1.269 1.00 1.00 C ATOM 138 CD1 LEU A 4 7.563 -7.309 2.116 1.00 1.00 C ATOM 139 CD2 LEU A 4 5.072 -7.212 2.154 1.00 1.00 C ATOM 0 H LEU A 4 8.598 -5.053 0.954 1.00 1.00 H new ATOM 0 HA LEU A 4 7.581 -6.788 -1.109 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.375 -5.061 1.064 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.377 -5.866 -0.132 1.00 1.00 H new ATOM 0 HG LEU A 4 6.284 -8.056 0.600 1.00 1.00 H new ATOM 0 HD11 LEU A 4 7.517 -8.219 2.715 1.00 1.00 H new ATOM 0 HD12 LEU A 4 8.438 -7.346 1.468 1.00 1.00 H new ATOM 0 HD13 LEU A 4 7.636 -6.444 2.775 1.00 1.00 H new ATOM 0 HD21 LEU A 4 5.072 -8.116 2.763 1.00 1.00 H new ATOM 0 HD22 LEU A 4 5.078 -6.337 2.803 1.00 1.00 H new ATOM 0 HD23 LEU A 4 4.178 -7.195 1.530 1.00 1.00 H new ATOM 151 N SER A 5 7.360 -5.103 -2.919 1.00 1.00 N ATOM 152 CA SER A 5 7.043 -4.208 -4.016 1.00 1.00 C ATOM 153 C SER A 5 5.604 -4.416 -4.469 1.00 1.00 C ATOM 154 O SER A 5 5.292 -5.396 -5.142 1.00 1.00 O ATOM 155 CB SER A 5 8.001 -4.444 -5.183 1.00 1.00 C ATOM 156 OG SER A 5 9.349 -4.242 -4.791 1.00 1.00 O ATOM 0 H SER A 5 7.767 -5.993 -3.205 1.00 1.00 H new ATOM 0 HA SER A 5 7.156 -3.180 -3.671 1.00 1.00 H new ATOM 0 HB2 SER A 5 7.877 -5.460 -5.558 1.00 1.00 H new ATOM 0 HB3 SER A 5 7.753 -3.769 -6.002 1.00 1.00 H new ATOM 0 HG SER A 5 9.940 -4.401 -5.557 1.00 1.00 H new ATOM 162 N LEU A 6 4.729 -3.505 -4.089 1.00 1.00 N ATOM 163 CA LEU A 6 3.336 -3.591 -4.488 1.00 1.00 C ATOM 164 C LEU A 6 3.001 -2.512 -5.493 1.00 1.00 C ATOM 165 O LEU A 6 3.613 -1.445 -5.511 1.00 1.00 O ATOM 166 CB LEU A 6 2.388 -3.472 -3.293 1.00 1.00 C ATOM 167 CG LEU A 6 2.268 -4.715 -2.410 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.456 -4.840 -1.471 1.00 1.00 C ATOM 169 CD2 LEU A 6 0.967 -4.680 -1.629 1.00 1.00 C ATOM 0 H LEU A 6 4.956 -2.699 -3.506 1.00 1.00 H new ATOM 0 HA LEU A 6 3.199 -4.573 -4.940 1.00 1.00 H new ATOM 0 HB2 LEU A 6 2.719 -2.640 -2.672 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.396 -3.217 -3.665 1.00 1.00 H new ATOM 0 HG LEU A 6 2.264 -5.593 -3.057 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.342 -5.733 -0.857 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.374 -4.916 -2.054 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.506 -3.961 -0.828 1.00 1.00 H new ATOM 0 HD21 LEU A 6 0.894 -5.570 -1.004 1.00 1.00 H new ATOM 0 HD22 LEU A 6 0.945 -3.791 -0.998 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.127 -4.653 -2.323 1.00 1.00 H new ATOM 181 N LYS A 7 2.024 -2.792 -6.324 1.00 1.00 N ATOM 182 CA LYS A 7 1.566 -1.827 -7.299 1.00 1.00 C ATOM 183 C LYS A 7 0.440 -1.008 -6.691 1.00 1.00 C ATOM 184 O LYS A 7 -0.678 -1.496 -6.529 1.00 1.00 O ATOM 185 CB LYS A 7 1.110 -2.527 -8.583 1.00 1.00 C ATOM 186 CG LYS A 7 2.166 -3.457 -9.165 1.00 1.00 C ATOM 187 CD LYS A 7 1.843 -3.877 -10.593 1.00 1.00 C ATOM 188 CE LYS A 7 0.535 -4.652 -10.691 1.00 1.00 C ATOM 189 NZ LYS A 7 0.606 -5.965 -9.995 1.00 1.00 N ATOM 0 H LYS A 7 1.529 -3.683 -6.345 1.00 1.00 H new ATOM 0 HA LYS A 7 2.387 -1.162 -7.567 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.205 -3.099 -8.376 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.848 -1.774 -9.327 1.00 1.00 H new ATOM 0 HG2 LYS A 7 3.136 -2.959 -9.146 1.00 1.00 H new ATOM 0 HG3 LYS A 7 2.251 -4.345 -8.538 1.00 1.00 H new ATOM 0 HD2 LYS A 7 1.785 -2.991 -11.225 1.00 1.00 H new ATOM 0 HD3 LYS A 7 2.656 -4.492 -10.980 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -0.271 -4.058 -10.260 1.00 1.00 H new ATOM 0 HE3 LYS A 7 0.287 -4.812 -11.740 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 0.530 -6.732 -10.693 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 1.513 -6.043 -9.492 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -0.176 -6.039 -9.313 1.00 1.00 H new ATOM 203 N ILE A 8 0.758 0.222 -6.318 1.00 1.00 N ATOM 204 CA ILE A 8 -0.192 1.089 -5.646 1.00 1.00 C ATOM 205 C ILE A 8 -1.058 1.818 -6.656 1.00 1.00 C ATOM 206 O ILE A 8 -0.561 2.584 -7.480 1.00 1.00 O ATOM 207 CB ILE A 8 0.521 2.117 -4.737 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.300 1.397 -3.634 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.483 3.093 -4.135 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.438 0.516 -2.753 1.00 1.00 C ATOM 0 H ILE A 8 1.674 0.643 -6.472 1.00 1.00 H new ATOM 0 HA ILE A 8 -0.822 0.456 -5.021 1.00 1.00 H new ATOM 0 HB ILE A 8 1.224 2.687 -5.345 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.079 0.787 -4.091 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.800 2.139 -3.012 1.00 1.00 H new ATOM 0 HG21 ILE A 8 0.040 3.807 -3.499 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -0.996 3.627 -4.935 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.212 2.544 -3.540 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.060 0.039 -1.995 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.325 1.124 -2.266 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -0.042 -0.250 -3.363 1.00 1.00 H new ATOM 222 N SER A 9 -2.347 1.559 -6.592 1.00 1.00 N ATOM 223 CA SER A 9 -3.295 2.192 -7.479 1.00 1.00 C ATOM 224 C SER A 9 -4.004 3.336 -6.765 1.00 1.00 C ATOM 225 O SER A 9 -4.710 3.122 -5.784 1.00 1.00 O ATOM 226 CB SER A 9 -4.314 1.160 -7.970 1.00 1.00 C ATOM 227 OG SER A 9 -5.251 1.735 -8.868 1.00 1.00 O ATOM 0 H SER A 9 -2.764 0.907 -5.927 1.00 1.00 H new ATOM 0 HA SER A 9 -2.761 2.599 -8.337 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.793 0.340 -8.464 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.842 0.735 -7.116 1.00 1.00 H new ATOM 0 HG SER A 9 -6.131 1.777 -8.440 1.00 1.00 H new ATOM 233 N ILE A 10 -3.777 4.549 -7.229 1.00 1.00 N ATOM 234 CA ILE A 10 -4.538 5.695 -6.762 1.00 1.00 C ATOM 235 C ILE A 10 -5.364 6.233 -7.919 1.00 1.00 C ATOM 236 O ILE A 10 -4.845 6.928 -8.797 1.00 1.00 O ATOM 237 CB ILE A 10 -3.638 6.817 -6.196 1.00 1.00 C ATOM 238 CG1 ILE A 10 -2.796 6.299 -5.025 1.00 1.00 C ATOM 239 CG2 ILE A 10 -4.491 7.996 -5.744 1.00 1.00 C ATOM 240 CD1 ILE A 10 -1.752 7.285 -4.549 1.00 1.00 C ATOM 0 H ILE A 10 -3.070 4.769 -7.931 1.00 1.00 H new ATOM 0 HA ILE A 10 -5.179 5.363 -5.945 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.964 7.147 -6.986 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -3.457 6.052 -4.194 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -2.302 5.375 -5.324 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -3.847 8.780 -5.347 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -5.054 8.384 -6.593 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -5.183 7.668 -4.968 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -1.194 6.852 -3.719 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -1.068 7.513 -5.366 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -2.241 8.201 -4.218 1.00 1.00 H new ATOM 252 N GLY A 11 -6.635 5.865 -7.944 1.00 1.00 N ATOM 253 CA GLY A 11 -7.499 6.250 -9.038 1.00 1.00 C ATOM 254 C GLY A 11 -7.109 5.561 -10.330 1.00 1.00 C ATOM 255 O GLY A 11 -7.534 4.437 -10.596 1.00 1.00 O ATOM 0 H GLY A 11 -7.085 5.303 -7.221 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.531 6.002 -8.791 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.454 7.331 -9.174 1.00 1.00 H new ATOM 259 N ASN A 12 -6.283 6.228 -11.125 1.00 1.00 N ATOM 260 CA ASN A 12 -5.808 5.667 -12.386 1.00 1.00 C ATOM 261 C ASN A 12 -4.288 5.598 -12.390 1.00 1.00 C ATOM 262 O ASN A 12 -3.676 5.175 -13.371 1.00 1.00 O ATOM 263 CB ASN A 12 -6.284 6.515 -13.569 1.00 1.00 C ATOM 264 CG ASN A 12 -7.785 6.715 -13.576 1.00 1.00 C ATOM 265 OD1 ASN A 12 -8.534 5.914 -14.137 1.00 1.00 O ATOM 266 ND2 ASN A 12 -8.235 7.790 -12.951 1.00 1.00 N ATOM 0 H ASN A 12 -5.926 7.161 -10.919 1.00 1.00 H new ATOM 0 HA ASN A 12 -6.217 4.661 -12.486 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -5.792 7.487 -13.536 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -5.981 6.036 -14.500 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -9.237 7.981 -12.921 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -7.581 8.428 -12.499 1.00 1.00 H new ATOM 273 N VAL A 13 -3.683 6.019 -11.290 1.00 1.00 N ATOM 274 CA VAL A 13 -2.233 6.040 -11.181 1.00 1.00 C ATOM 275 C VAL A 13 -1.730 4.780 -10.491 1.00 1.00 C ATOM 276 O VAL A 13 -1.915 4.603 -9.287 1.00 1.00 O ATOM 277 CB VAL A 13 -1.743 7.281 -10.407 1.00 1.00 C ATOM 278 CG1 VAL A 13 -0.224 7.326 -10.356 1.00 1.00 C ATOM 279 CG2 VAL A 13 -2.293 8.550 -11.036 1.00 1.00 C ATOM 0 H VAL A 13 -4.174 6.351 -10.460 1.00 1.00 H new ATOM 0 HA VAL A 13 -1.832 6.083 -12.193 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.113 7.211 -9.384 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.096 8.210 -9.805 1.00 1.00 H new ATOM 0 HG12 VAL A 13 0.150 6.432 -9.856 1.00 1.00 H new ATOM 0 HG13 VAL A 13 0.173 7.368 -11.370 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -1.938 9.416 -10.478 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -1.954 8.620 -12.070 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -3.382 8.525 -11.012 1.00 1.00 H new ATOM 289 N VAL A 14 -1.115 3.900 -11.267 1.00 1.00 N ATOM 290 CA VAL A 14 -0.548 2.672 -10.732 1.00 1.00 C ATOM 291 C VAL A 14 0.963 2.816 -10.590 1.00 1.00 C ATOM 292 O VAL A 14 1.686 2.892 -11.582 1.00 1.00 O ATOM 293 CB VAL A 14 -0.871 1.459 -11.630 1.00 1.00 C ATOM 294 CG1 VAL A 14 -0.324 0.175 -11.022 1.00 1.00 C ATOM 295 CG2 VAL A 14 -2.370 1.344 -11.861 1.00 1.00 C ATOM 0 H VAL A 14 -0.996 4.015 -12.273 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.996 2.497 -9.754 1.00 1.00 H new ATOM 0 HB VAL A 14 -0.386 1.614 -12.594 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -0.564 -0.666 -11.672 1.00 1.00 H new ATOM 0 HG12 VAL A 14 0.758 0.255 -10.916 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.774 0.016 -10.042 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.575 0.482 -12.496 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -2.877 1.218 -10.904 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -2.734 2.249 -12.348 1.00 1.00 H new ATOM 305 N LYS A 15 1.428 2.877 -9.354 1.00 1.00 N ATOM 306 CA LYS A 15 2.842 3.073 -9.074 1.00 1.00 C ATOM 307 C LYS A 15 3.407 1.904 -8.282 1.00 1.00 C ATOM 308 O LYS A 15 2.917 1.584 -7.199 1.00 1.00 O ATOM 309 CB LYS A 15 3.043 4.369 -8.289 1.00 1.00 C ATOM 310 CG LYS A 15 2.745 5.629 -9.086 1.00 1.00 C ATOM 311 CD LYS A 15 3.908 6.023 -9.972 1.00 1.00 C ATOM 312 CE LYS A 15 5.108 6.380 -9.126 1.00 1.00 C ATOM 313 NZ LYS A 15 6.236 6.908 -9.933 1.00 1.00 N ATOM 0 H LYS A 15 0.843 2.793 -8.523 1.00 1.00 H new ATOM 0 HA LYS A 15 3.372 3.136 -10.025 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.403 4.350 -7.407 1.00 1.00 H new ATOM 0 HB3 LYS A 15 4.073 4.411 -7.935 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.858 5.470 -9.700 1.00 1.00 H new ATOM 0 HG3 LYS A 15 2.516 6.446 -8.402 1.00 1.00 H new ATOM 0 HD2 LYS A 15 4.158 5.202 -10.643 1.00 1.00 H new ATOM 0 HD3 LYS A 15 3.628 6.871 -10.597 1.00 1.00 H new ATOM 0 HE2 LYS A 15 4.817 7.124 -8.384 1.00 1.00 H new ATOM 0 HE3 LYS A 15 5.439 5.497 -8.579 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 7.034 7.138 -9.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 6.534 6.190 -10.624 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 5.932 7.767 -10.435 1.00 1.00 H new ATOM 327 N THR A 16 4.426 1.261 -8.827 1.00 1.00 N ATOM 328 CA THR A 16 5.113 0.194 -8.122 1.00 1.00 C ATOM 329 C THR A 16 5.912 0.773 -6.958 1.00 1.00 C ATOM 330 O THR A 16 6.907 1.472 -7.158 1.00 1.00 O ATOM 331 CB THR A 16 6.054 -0.582 -9.063 1.00 1.00 C ATOM 332 OG1 THR A 16 5.358 -0.926 -10.271 1.00 1.00 O ATOM 333 CG2 THR A 16 6.568 -1.850 -8.395 1.00 1.00 C ATOM 0 H THR A 16 4.796 1.460 -9.757 1.00 1.00 H new ATOM 0 HA THR A 16 4.362 -0.499 -7.743 1.00 1.00 H new ATOM 0 HB THR A 16 6.906 0.057 -9.297 1.00 1.00 H new ATOM 0 HG1 THR A 16 5.961 -1.418 -10.867 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.230 -2.379 -9.080 1.00 1.00 H new ATOM 0 HG22 THR A 16 7.117 -1.588 -7.490 1.00 1.00 H new ATOM 0 HG23 THR A 16 5.726 -2.492 -8.136 1.00 1.00 H new ATOM 341 N MET A 17 5.455 0.505 -5.747 1.00 1.00 N ATOM 342 CA MET A 17 6.081 1.049 -4.555 1.00 1.00 C ATOM 343 C MET A 17 6.730 -0.057 -3.740 1.00 1.00 C ATOM 344 O MET A 17 6.172 -1.143 -3.598 1.00 1.00 O ATOM 345 CB MET A 17 5.049 1.782 -3.696 1.00 1.00 C ATOM 346 CG MET A 17 4.473 3.029 -4.348 1.00 1.00 C ATOM 347 SD MET A 17 5.710 4.315 -4.599 1.00 1.00 S ATOM 348 CE MET A 17 6.315 4.524 -2.926 1.00 1.00 C ATOM 0 H MET A 17 4.647 -0.090 -5.563 1.00 1.00 H new ATOM 0 HA MET A 17 6.850 1.755 -4.869 1.00 1.00 H new ATOM 0 HB2 MET A 17 4.234 1.097 -3.463 1.00 1.00 H new ATOM 0 HB3 MET A 17 5.512 2.061 -2.749 1.00 1.00 H new ATOM 0 HG2 MET A 17 4.032 2.762 -5.308 1.00 1.00 H new ATOM 0 HG3 MET A 17 3.668 3.421 -3.726 1.00 1.00 H new ATOM 0 HE1 MET A 17 7.065 5.315 -2.906 1.00 1.00 H new ATOM 0 HE2 MET A 17 5.487 4.793 -2.271 1.00 1.00 H new ATOM 0 HE3 MET A 17 6.762 3.591 -2.582 1.00 1.00 H new ATOM 358 N GLN A 18 7.907 0.225 -3.214 1.00 1.00 N ATOM 359 CA GLN A 18 8.622 -0.732 -2.388 1.00 1.00 C ATOM 360 C GLN A 18 8.370 -0.423 -0.923 1.00 1.00 C ATOM 361 O GLN A 18 8.704 0.661 -0.451 1.00 1.00 O ATOM 362 CB GLN A 18 10.120 -0.671 -2.682 1.00 1.00 C ATOM 363 CG GLN A 18 10.464 -0.907 -4.141 1.00 1.00 C ATOM 364 CD GLN A 18 11.917 -0.607 -4.458 1.00 1.00 C ATOM 365 OE1 GLN A 18 12.505 -1.208 -5.356 1.00 1.00 O ATOM 366 NE2 GLN A 18 12.503 0.331 -3.729 1.00 1.00 N ATOM 0 H GLN A 18 8.391 1.113 -3.344 1.00 1.00 H new ATOM 0 HA GLN A 18 8.263 -1.736 -2.615 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.501 0.305 -2.381 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.632 -1.415 -2.072 1.00 1.00 H new ATOM 0 HG2 GLN A 18 10.247 -1.944 -4.398 1.00 1.00 H new ATOM 0 HG3 GLN A 18 9.824 -0.284 -4.766 1.00 1.00 H new ATOM 0 HE21 GLN A 18 11.980 0.806 -2.993 1.00 1.00 H new ATOM 0 HE22 GLN A 18 13.477 0.578 -3.903 1.00 1.00 H new ATOM 375 N PHE A 19 7.757 -1.358 -0.221 1.00 1.00 N ATOM 376 CA PHE A 19 7.471 -1.185 1.192 1.00 1.00 C ATOM 377 C PHE A 19 8.280 -2.174 2.021 1.00 1.00 C ATOM 378 O PHE A 19 8.662 -3.234 1.531 1.00 1.00 O ATOM 379 CB PHE A 19 5.982 -1.398 1.467 1.00 1.00 C ATOM 380 CG PHE A 19 5.071 -0.393 0.814 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.820 0.828 1.421 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.451 -0.676 -0.392 1.00 1.00 C ATOM 383 CE1 PHE A 19 3.971 1.748 0.836 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.603 0.241 -0.982 1.00 1.00 C ATOM 385 CZ PHE A 19 3.362 1.455 -0.366 1.00 1.00 C ATOM 0 H PHE A 19 7.446 -2.249 -0.608 1.00 1.00 H new ATOM 0 HA PHE A 19 7.746 -0.168 1.471 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.703 -2.395 1.127 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.818 -1.371 2.544 1.00 1.00 H new ATOM 0 HD1 PHE A 19 5.294 1.063 2.363 1.00 1.00 H new ATOM 0 HD2 PHE A 19 4.633 -1.624 -0.876 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.785 2.695 1.320 1.00 1.00 H new ATOM 0 HE2 PHE A 19 3.128 0.010 -1.924 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.698 2.172 -0.825 1.00 1.00 H new ATOM 395 N GLU A 20 8.542 -1.829 3.269 1.00 1.00 N ATOM 396 CA GLU A 20 9.207 -2.746 4.179 1.00 1.00 C ATOM 397 C GLU A 20 8.182 -3.753 4.705 1.00 1.00 C ATOM 398 O GLU A 20 7.012 -3.412 4.884 1.00 1.00 O ATOM 399 CB GLU A 20 9.847 -1.978 5.341 1.00 1.00 C ATOM 400 CG GLU A 20 10.840 -0.905 4.914 1.00 1.00 C ATOM 401 CD GLU A 20 12.115 -1.474 4.326 1.00 1.00 C ATOM 402 OE1 GLU A 20 12.551 -2.551 4.784 1.00 1.00 O ATOM 403 OE2 GLU A 20 12.709 -0.828 3.430 1.00 1.00 O ATOM 0 H GLU A 20 8.306 -0.924 3.675 1.00 1.00 H new ATOM 0 HA GLU A 20 9.999 -3.275 3.649 1.00 1.00 H new ATOM 0 HB2 GLU A 20 9.058 -1.512 5.931 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.356 -2.688 5.993 1.00 1.00 H new ATOM 0 HG2 GLU A 20 10.368 -0.253 4.179 1.00 1.00 H new ATOM 0 HG3 GLU A 20 11.089 -0.286 5.776 1.00 1.00 H new ATOM 410 N PRO A 21 8.593 -5.004 4.952 1.00 1.00 N ATOM 411 CA PRO A 21 7.666 -6.074 5.347 1.00 1.00 C ATOM 412 C PRO A 21 6.943 -5.788 6.661 1.00 1.00 C ATOM 413 O PRO A 21 5.742 -6.038 6.786 1.00 1.00 O ATOM 414 CB PRO A 21 8.564 -7.310 5.486 1.00 1.00 C ATOM 415 CG PRO A 21 9.828 -6.970 4.770 1.00 1.00 C ATOM 416 CD PRO A 21 9.981 -5.479 4.863 1.00 1.00 C ATOM 0 HA PRO A 21 6.868 -6.192 4.614 1.00 1.00 H new ATOM 0 HB2 PRO A 21 8.757 -7.539 6.534 1.00 1.00 H new ATOM 0 HB3 PRO A 21 8.091 -8.190 5.050 1.00 1.00 H new ATOM 0 HG2 PRO A 21 10.680 -7.477 5.224 1.00 1.00 H new ATOM 0 HG3 PRO A 21 9.783 -7.292 3.729 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.563 -5.188 5.737 1.00 1.00 H new ATOM 0 HD3 PRO A 21 10.491 -5.071 3.990 1.00 1.00 H new ATOM 424 N SER A 22 7.667 -5.243 7.629 1.00 1.00 N ATOM 425 CA SER A 22 7.106 -4.979 8.947 1.00 1.00 C ATOM 426 C SER A 22 6.400 -3.620 8.987 1.00 1.00 C ATOM 427 O SER A 22 6.007 -3.144 10.056 1.00 1.00 O ATOM 428 CB SER A 22 8.212 -5.040 10.003 1.00 1.00 C ATOM 429 OG SER A 22 7.695 -4.880 11.313 1.00 1.00 O ATOM 0 H SER A 22 8.646 -4.975 7.526 1.00 1.00 H new ATOM 0 HA SER A 22 6.362 -5.745 9.164 1.00 1.00 H new ATOM 0 HB2 SER A 22 8.732 -5.995 9.931 1.00 1.00 H new ATOM 0 HB3 SER A 22 8.948 -4.261 9.805 1.00 1.00 H new ATOM 0 HG SER A 22 6.889 -4.324 11.281 1.00 1.00 H new ATOM 435 N THR A 23 6.233 -3.003 7.825 1.00 1.00 N ATOM 436 CA THR A 23 5.588 -1.706 7.743 1.00 1.00 C ATOM 437 C THR A 23 4.094 -1.819 8.022 1.00 1.00 C ATOM 438 O THR A 23 3.396 -2.656 7.442 1.00 1.00 O ATOM 439 CB THR A 23 5.822 -1.051 6.370 1.00 1.00 C ATOM 440 OG1 THR A 23 7.215 -0.759 6.220 1.00 1.00 O ATOM 441 CG2 THR A 23 5.012 0.226 6.212 1.00 1.00 C ATOM 0 H THR A 23 6.536 -3.382 6.928 1.00 1.00 H new ATOM 0 HA THR A 23 6.037 -1.071 8.507 1.00 1.00 H new ATOM 0 HB THR A 23 5.496 -1.749 5.599 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.463 -0.028 6.823 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.204 0.659 5.230 1.00 1.00 H new ATOM 0 HG22 THR A 23 3.950 -0.002 6.307 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.300 0.938 6.985 1.00 1.00 H new ATOM 449 N MET A 24 3.625 -0.984 8.936 1.00 1.00 N ATOM 450 CA MET A 24 2.221 -0.949 9.305 1.00 1.00 C ATOM 451 C MET A 24 1.417 -0.249 8.216 1.00 1.00 C ATOM 452 O MET A 24 1.960 0.551 7.457 1.00 1.00 O ATOM 453 CB MET A 24 2.043 -0.217 10.637 1.00 1.00 C ATOM 454 CG MET A 24 3.012 -0.668 11.720 1.00 1.00 C ATOM 455 SD MET A 24 2.854 -2.416 12.132 1.00 1.00 S ATOM 456 CE MET A 24 1.234 -2.440 12.896 1.00 1.00 C ATOM 0 H MET A 24 4.206 -0.314 9.441 1.00 1.00 H new ATOM 0 HA MET A 24 1.860 -1.971 9.415 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.169 0.853 10.472 1.00 1.00 H new ATOM 0 HB3 MET A 24 1.023 -0.367 10.990 1.00 1.00 H new ATOM 0 HG2 MET A 24 4.032 -0.470 11.391 1.00 1.00 H new ATOM 0 HG3 MET A 24 2.845 -0.073 12.618 1.00 1.00 H new ATOM 0 HE1 MET A 24 1.073 -3.404 13.378 1.00 1.00 H new ATOM 0 HE2 MET A 24 1.171 -1.647 13.641 1.00 1.00 H new ATOM 0 HE3 MET A 24 0.470 -2.283 12.134 1.00 1.00 H new ATOM 466 N VAL A 25 0.128 -0.534 8.153 1.00 1.00 N ATOM 467 CA VAL A 25 -0.731 0.013 7.110 1.00 1.00 C ATOM 468 C VAL A 25 -0.796 1.542 7.164 1.00 1.00 C ATOM 469 O VAL A 25 -0.748 2.205 6.125 1.00 1.00 O ATOM 470 CB VAL A 25 -2.147 -0.586 7.192 1.00 1.00 C ATOM 471 CG1 VAL A 25 -3.094 0.094 6.214 1.00 1.00 C ATOM 472 CG2 VAL A 25 -2.088 -2.083 6.927 1.00 1.00 C ATOM 0 H VAL A 25 -0.352 -1.144 8.815 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.288 -0.265 6.154 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.535 -0.415 8.196 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -4.085 -0.352 6.297 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -3.154 1.157 6.446 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.722 -0.035 5.198 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -3.092 -2.503 6.986 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.678 -2.261 5.933 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.451 -2.560 7.672 1.00 1.00 H new ATOM 482 N TYR A 26 -0.879 2.109 8.366 1.00 1.00 N ATOM 483 CA TYR A 26 -0.918 3.566 8.499 1.00 1.00 C ATOM 484 C TYR A 26 0.417 4.169 8.084 1.00 1.00 C ATOM 485 O TYR A 26 0.491 5.310 7.628 1.00 1.00 O ATOM 486 CB TYR A 26 -1.275 3.998 9.930 1.00 1.00 C ATOM 487 CG TYR A 26 -0.200 3.749 10.977 1.00 1.00 C ATOM 488 CD1 TYR A 26 0.778 4.703 11.238 1.00 1.00 C ATOM 489 CD2 TYR A 26 -0.179 2.574 11.715 1.00 1.00 C ATOM 490 CE1 TYR A 26 1.748 4.488 12.199 1.00 1.00 C ATOM 491 CE2 TYR A 26 0.786 2.354 12.681 1.00 1.00 C ATOM 492 CZ TYR A 26 1.746 3.313 12.919 1.00 1.00 C ATOM 493 OH TYR A 26 2.706 3.099 13.882 1.00 1.00 O ATOM 0 H TYR A 26 -0.920 1.595 9.246 1.00 1.00 H new ATOM 0 HA TYR A 26 -1.701 3.937 7.837 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -1.510 5.062 9.922 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.181 3.474 10.234 1.00 1.00 H new ATOM 0 HD1 TYR A 26 0.780 5.628 10.680 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -0.929 1.819 11.532 1.00 1.00 H new ATOM 0 HE1 TYR A 26 2.504 5.237 12.385 1.00 1.00 H new ATOM 0 HE2 TYR A 26 0.787 1.434 13.247 1.00 1.00 H new ATOM 0 HH TYR A 26 2.563 2.223 14.298 1.00 1.00 H new ATOM 503 N ASP A 27 1.466 3.376 8.224 1.00 1.00 N ATOM 504 CA ASP A 27 2.815 3.820 7.884 1.00 1.00 C ATOM 505 C ASP A 27 3.039 3.704 6.382 1.00 1.00 C ATOM 506 O ASP A 27 3.718 4.528 5.777 1.00 1.00 O ATOM 507 CB ASP A 27 3.855 3.005 8.656 1.00 1.00 C ATOM 508 CG ASP A 27 5.279 3.475 8.413 1.00 1.00 C ATOM 509 OD1 ASP A 27 5.510 4.699 8.352 1.00 1.00 O ATOM 510 OD2 ASP A 27 6.182 2.615 8.327 1.00 1.00 O ATOM 0 H ASP A 27 1.413 2.418 8.571 1.00 1.00 H new ATOM 0 HA ASP A 27 2.926 4.866 8.169 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.636 3.064 9.722 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.771 1.956 8.371 1.00 1.00 H new ATOM 515 N ALA A 28 2.445 2.680 5.782 1.00 1.00 N ATOM 516 CA ALA A 28 2.478 2.519 4.336 1.00 1.00 C ATOM 517 C ALA A 28 1.738 3.671 3.663 1.00 1.00 C ATOM 518 O ALA A 28 2.168 4.181 2.628 1.00 1.00 O ATOM 519 CB ALA A 28 1.874 1.182 3.937 1.00 1.00 C ATOM 0 H ALA A 28 1.934 1.948 6.276 1.00 1.00 H new ATOM 0 HA ALA A 28 3.516 2.535 4.003 1.00 1.00 H new ATOM 0 HB1 ALA A 28 1.906 1.077 2.853 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.443 0.374 4.397 1.00 1.00 H new ATOM 0 HB3 ALA A 28 0.839 1.135 4.275 1.00 1.00 H new ATOM 525 N CYS A 29 0.626 4.082 4.264 1.00 1.00 N ATOM 526 CA CYS A 29 -0.099 5.264 3.814 1.00 1.00 C ATOM 527 C CYS A 29 0.794 6.500 3.919 1.00 1.00 C ATOM 528 O CYS A 29 0.830 7.338 3.013 1.00 1.00 O ATOM 529 CB CYS A 29 -1.372 5.451 4.648 1.00 1.00 C ATOM 530 SG CYS A 29 -2.251 7.001 4.337 1.00 1.00 S ATOM 0 H CYS A 29 0.207 3.612 5.066 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.384 5.128 2.771 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -2.047 4.619 4.449 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -1.109 5.403 5.705 1.00 1.00 H new ATOM 0 HG CYS A 29 -2.938 6.897 3.238 1.00 1.00 H new ATOM 536 N ARG A 30 1.528 6.590 5.027 1.00 1.00 N ATOM 537 CA ARG A 30 2.495 7.664 5.246 1.00 1.00 C ATOM 538 C ARG A 30 3.530 7.699 4.120 1.00 1.00 C ATOM 539 O ARG A 30 4.013 8.762 3.727 1.00 1.00 O ATOM 540 CB ARG A 30 3.193 7.467 6.598 1.00 1.00 C ATOM 541 CG ARG A 30 4.411 8.352 6.803 1.00 1.00 C ATOM 542 CD ARG A 30 5.161 7.988 8.075 1.00 1.00 C ATOM 543 NE ARG A 30 4.413 8.336 9.283 1.00 1.00 N ATOM 544 CZ ARG A 30 4.348 7.563 10.365 1.00 1.00 C ATOM 545 NH1 ARG A 30 4.879 6.350 10.353 1.00 1.00 N ATOM 546 NH2 ARG A 30 3.720 7.994 11.452 1.00 1.00 N ATOM 0 H ARG A 30 1.469 5.922 5.796 1.00 1.00 H new ATOM 0 HA ARG A 30 1.963 8.615 5.251 1.00 1.00 H new ATOM 0 HB2 ARG A 30 2.477 7.662 7.396 1.00 1.00 H new ATOM 0 HB3 ARG A 30 3.496 6.424 6.690 1.00 1.00 H new ATOM 0 HG2 ARG A 30 5.079 8.257 5.947 1.00 1.00 H new ATOM 0 HG3 ARG A 30 4.099 9.395 6.850 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.371 6.918 8.076 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.123 8.501 8.086 1.00 1.00 H new ATOM 0 HE ARG A 30 3.911 9.224 9.297 1.00 1.00 H new ATOM 0 HH11 ARG A 30 5.341 6.004 9.512 1.00 1.00 H new ATOM 0 HH12 ARG A 30 4.826 5.762 11.185 1.00 1.00 H new ATOM 0 HH21 ARG A 30 3.287 8.918 11.458 1.00 1.00 H new ATOM 0 HH22 ARG A 30 3.670 7.402 12.281 1.00 1.00 H new ATOM 560 N MET A 31 3.855 6.534 3.596 1.00 1.00 N ATOM 561 CA MET A 31 4.826 6.430 2.523 1.00 1.00 C ATOM 562 C MET A 31 4.243 6.917 1.201 1.00 1.00 C ATOM 563 O MET A 31 4.890 7.674 0.481 1.00 1.00 O ATOM 564 CB MET A 31 5.319 4.991 2.400 1.00 1.00 C ATOM 565 CG MET A 31 6.073 4.523 3.631 1.00 1.00 C ATOM 566 SD MET A 31 6.468 2.770 3.589 1.00 1.00 S ATOM 567 CE MET A 31 7.372 2.610 5.123 1.00 1.00 C ATOM 0 H MET A 31 3.460 5.643 3.896 1.00 1.00 H new ATOM 0 HA MET A 31 5.673 7.072 2.765 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.467 4.333 2.229 1.00 1.00 H new ATOM 0 HB3 MET A 31 5.967 4.907 1.528 1.00 1.00 H new ATOM 0 HG2 MET A 31 6.996 5.096 3.724 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.476 4.734 4.518 1.00 1.00 H new ATOM 0 HE1 MET A 31 7.691 1.576 5.251 1.00 1.00 H new ATOM 0 HE2 MET A 31 8.247 3.260 5.099 1.00 1.00 H new ATOM 0 HE3 MET A 31 6.730 2.897 5.956 1.00 1.00 H new ATOM 577 N ILE A 32 3.014 6.512 0.887 1.00 1.00 N ATOM 578 CA ILE A 32 2.406 6.896 -0.384 1.00 1.00 C ATOM 579 C ILE A 32 2.159 8.389 -0.446 1.00 1.00 C ATOM 580 O ILE A 32 2.497 9.021 -1.430 1.00 1.00 O ATOM 581 CB ILE A 32 1.077 6.181 -0.666 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.214 4.691 -0.437 1.00 1.00 C ATOM 583 CG2 ILE A 32 0.646 6.451 -2.101 1.00 1.00 C ATOM 584 CD1 ILE A 32 -0.121 4.040 -0.268 1.00 1.00 C ATOM 0 H ILE A 32 2.428 5.928 1.484 1.00 1.00 H new ATOM 0 HA ILE A 32 3.127 6.593 -1.144 1.00 1.00 H new ATOM 0 HB ILE A 32 0.320 6.565 0.018 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.737 4.238 -1.279 1.00 1.00 H new ATOM 0 HG13 ILE A 32 1.823 4.512 0.449 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -0.298 5.943 -2.299 1.00 1.00 H new ATOM 0 HG22 ILE A 32 0.518 7.524 -2.247 1.00 1.00 H new ATOM 0 HG23 ILE A 32 1.409 6.080 -2.786 1.00 1.00 H new ATOM 0 HD11 ILE A 32 0.014 2.971 -0.105 1.00 1.00 H new ATOM 0 HD12 ILE A 32 -0.632 4.476 0.590 1.00 1.00 H new ATOM 0 HD13 ILE A 32 -0.719 4.198 -1.165 1.00 1.00 H new ATOM 596 N ARG A 33 1.581 8.949 0.614 1.00 1.00 N ATOM 597 CA ARG A 33 1.286 10.382 0.658 1.00 1.00 C ATOM 598 C ARG A 33 2.540 11.195 0.340 1.00 1.00 C ATOM 599 O ARG A 33 2.478 12.249 -0.297 1.00 1.00 O ATOM 600 CB ARG A 33 0.762 10.782 2.043 1.00 1.00 C ATOM 601 CG ARG A 33 1.803 10.598 3.127 1.00 1.00 C ATOM 602 CD ARG A 33 1.434 11.251 4.442 1.00 1.00 C ATOM 603 NE ARG A 33 2.602 11.293 5.321 1.00 1.00 N ATOM 604 CZ ARG A 33 2.572 11.583 6.615 1.00 1.00 C ATOM 605 NH1 ARG A 33 1.425 11.825 7.233 1.00 1.00 N ATOM 606 NH2 ARG A 33 3.710 11.618 7.293 1.00 1.00 N ATOM 0 H ARG A 33 1.308 8.436 1.452 1.00 1.00 H new ATOM 0 HA ARG A 33 0.521 10.591 -0.089 1.00 1.00 H new ATOM 0 HB2 ARG A 33 0.444 11.824 2.021 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -0.118 10.185 2.282 1.00 1.00 H new ATOM 0 HG2 ARG A 33 1.958 9.532 3.292 1.00 1.00 H new ATOM 0 HG3 ARG A 33 2.752 11.009 2.781 1.00 1.00 H new ATOM 0 HD2 ARG A 33 1.064 12.261 4.265 1.00 1.00 H new ATOM 0 HD3 ARG A 33 0.628 10.695 4.920 1.00 1.00 H new ATOM 0 HE ARG A 33 3.510 11.083 4.907 1.00 1.00 H new ATOM 0 HH11 ARG A 33 0.548 11.790 6.713 1.00 1.00 H new ATOM 0 HH12 ARG A 33 1.419 12.047 8.229 1.00 1.00 H new ATOM 0 HH21 ARG A 33 4.592 11.424 6.819 1.00 1.00 H new ATOM 0 HH22 ARG A 33 3.704 11.839 8.289 1.00 1.00 H new ATOM 620 N GLU A 34 3.680 10.692 0.791 1.00 1.00 N ATOM 621 CA GLU A 34 4.941 11.386 0.620 1.00 1.00 C ATOM 622 C GLU A 34 5.570 11.112 -0.747 1.00 1.00 C ATOM 623 O GLU A 34 6.264 11.968 -1.295 1.00 1.00 O ATOM 624 CB GLU A 34 5.896 11.024 1.754 1.00 1.00 C ATOM 625 CG GLU A 34 5.455 11.589 3.096 1.00 1.00 C ATOM 626 CD GLU A 34 6.382 11.214 4.232 1.00 1.00 C ATOM 627 OE1 GLU A 34 7.617 11.224 4.028 1.00 1.00 O ATOM 628 OE2 GLU A 34 5.880 10.901 5.334 1.00 1.00 O ATOM 0 H GLU A 34 3.754 9.800 1.281 1.00 1.00 H new ATOM 0 HA GLU A 34 4.741 12.457 0.659 1.00 1.00 H new ATOM 0 HB2 GLU A 34 5.971 9.939 1.828 1.00 1.00 H new ATOM 0 HB3 GLU A 34 6.893 11.397 1.517 1.00 1.00 H new ATOM 0 HG2 GLU A 34 5.398 12.675 3.025 1.00 1.00 H new ATOM 0 HG3 GLU A 34 4.450 11.231 3.322 1.00 1.00 H new ATOM 635 N ARG A 35 5.315 9.937 -1.316 1.00 1.00 N ATOM 636 CA ARG A 35 5.939 9.578 -2.590 1.00 1.00 C ATOM 637 C ARG A 35 5.028 9.925 -3.766 1.00 1.00 C ATOM 638 O ARG A 35 5.496 10.288 -4.845 1.00 1.00 O ATOM 639 CB ARG A 35 6.298 8.091 -2.604 1.00 1.00 C ATOM 640 CG ARG A 35 7.280 7.700 -1.507 1.00 1.00 C ATOM 641 CD ARG A 35 8.651 8.318 -1.729 1.00 1.00 C ATOM 642 NE ARG A 35 9.421 7.596 -2.741 1.00 1.00 N ATOM 643 CZ ARG A 35 10.099 8.178 -3.730 1.00 1.00 C ATOM 644 NH1 ARG A 35 10.079 9.496 -3.877 1.00 1.00 N ATOM 645 NH2 ARG A 35 10.801 7.436 -4.576 1.00 1.00 N ATOM 0 H ARG A 35 4.694 9.228 -0.926 1.00 1.00 H new ATOM 0 HA ARG A 35 6.855 10.159 -2.696 1.00 1.00 H new ATOM 0 HB2 ARG A 35 5.387 7.503 -2.494 1.00 1.00 H new ATOM 0 HB3 ARG A 35 6.726 7.836 -3.574 1.00 1.00 H new ATOM 0 HG2 ARG A 35 6.890 8.018 -0.540 1.00 1.00 H new ATOM 0 HG3 ARG A 35 7.372 6.614 -1.472 1.00 1.00 H new ATOM 0 HD2 ARG A 35 8.535 9.357 -2.036 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.203 8.323 -0.789 1.00 1.00 H new ATOM 0 HE ARG A 35 9.441 6.578 -2.686 1.00 1.00 H new ATOM 0 HH11 ARG A 35 9.542 10.073 -3.230 1.00 1.00 H new ATOM 0 HH12 ARG A 35 10.601 9.932 -4.637 1.00 1.00 H new ATOM 0 HH21 ARG A 35 10.821 6.422 -4.469 1.00 1.00 H new ATOM 0 HH22 ARG A 35 11.320 7.880 -5.333 1.00 1.00 H new ATOM 659 N ILE A 36 3.729 9.812 -3.541 1.00 1.00 N ATOM 660 CA ILE A 36 2.721 10.153 -4.534 1.00 1.00 C ATOM 661 C ILE A 36 1.759 11.176 -3.935 1.00 1.00 C ATOM 662 O ILE A 36 1.097 10.898 -2.934 1.00 1.00 O ATOM 663 CB ILE A 36 1.918 8.908 -4.975 1.00 1.00 C ATOM 664 CG1 ILE A 36 2.864 7.768 -5.365 1.00 1.00 C ATOM 665 CG2 ILE A 36 0.998 9.255 -6.140 1.00 1.00 C ATOM 666 CD1 ILE A 36 2.158 6.450 -5.602 1.00 1.00 C ATOM 0 H ILE A 36 3.341 9.479 -2.658 1.00 1.00 H new ATOM 0 HA ILE A 36 3.227 10.562 -5.408 1.00 1.00 H new ATOM 0 HB ILE A 36 1.307 8.577 -4.135 1.00 1.00 H new ATOM 0 HG12 ILE A 36 3.405 8.049 -6.269 1.00 1.00 H new ATOM 0 HG13 ILE A 36 3.606 7.637 -4.577 1.00 1.00 H new ATOM 0 HG21 ILE A 36 0.439 8.368 -6.439 1.00 1.00 H new ATOM 0 HG22 ILE A 36 0.302 10.036 -5.834 1.00 1.00 H new ATOM 0 HG23 ILE A 36 1.594 9.609 -6.981 1.00 1.00 H new ATOM 0 HD11 ILE A 36 2.890 5.689 -5.874 1.00 1.00 H new ATOM 0 HD12 ILE A 36 1.640 6.146 -4.693 1.00 1.00 H new ATOM 0 HD13 ILE A 36 1.436 6.564 -6.410 1.00 1.00 H new ATOM 678 N PRO A 37 1.637 12.358 -4.545 1.00 1.00 N ATOM 679 CA PRO A 37 0.879 13.471 -3.964 1.00 1.00 C ATOM 680 C PRO A 37 -0.621 13.244 -4.030 1.00 1.00 C ATOM 681 O PRO A 37 -1.384 13.849 -3.277 1.00 1.00 O ATOM 682 CB PRO A 37 1.257 14.635 -4.872 1.00 1.00 C ATOM 683 CG PRO A 37 1.420 13.975 -6.186 1.00 1.00 C ATOM 684 CD PRO A 37 2.178 12.714 -5.872 1.00 1.00 C ATOM 0 HA PRO A 37 1.106 13.618 -2.908 1.00 1.00 H new ATOM 0 HB2 PRO A 37 0.481 15.400 -4.895 1.00 1.00 H new ATOM 0 HB3 PRO A 37 2.176 15.123 -4.546 1.00 1.00 H new ATOM 0 HG2 PRO A 37 0.456 13.757 -6.645 1.00 1.00 H new ATOM 0 HG3 PRO A 37 1.969 14.607 -6.884 1.00 1.00 H new ATOM 0 HD2 PRO A 37 1.996 11.933 -6.610 1.00 1.00 H new ATOM 0 HD3 PRO A 37 3.255 12.881 -5.843 1.00 1.00 H new ATOM 692 N GLU A 38 -1.040 12.362 -4.931 1.00 1.00 N ATOM 693 CA GLU A 38 -2.452 12.179 -5.188 1.00 1.00 C ATOM 694 C GLU A 38 -3.141 11.543 -3.980 1.00 1.00 C ATOM 695 O GLU A 38 -4.348 11.689 -3.794 1.00 1.00 O ATOM 696 CB GLU A 38 -2.688 11.342 -6.448 1.00 1.00 C ATOM 697 CG GLU A 38 -4.121 11.433 -6.956 1.00 1.00 C ATOM 698 CD GLU A 38 -4.325 10.769 -8.301 1.00 1.00 C ATOM 699 OE1 GLU A 38 -3.590 11.106 -9.251 1.00 1.00 O ATOM 700 OE2 GLU A 38 -5.254 9.944 -8.428 1.00 1.00 O ATOM 0 H GLU A 38 -0.423 11.770 -5.488 1.00 1.00 H new ATOM 0 HA GLU A 38 -2.889 13.163 -5.358 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -2.007 11.674 -7.232 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -2.447 10.300 -6.237 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -4.787 10.972 -6.227 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -4.407 12.482 -7.030 1.00 1.00 H new ATOM 707 N ALA A 39 -2.359 10.849 -3.151 1.00 1.00 N ATOM 708 CA ALA A 39 -2.864 10.270 -1.914 1.00 1.00 C ATOM 709 C ALA A 39 -3.428 11.346 -0.983 1.00 1.00 C ATOM 710 O ALA A 39 -4.276 11.068 -0.135 1.00 1.00 O ATOM 711 CB ALA A 39 -1.752 9.505 -1.217 1.00 1.00 C ATOM 0 H ALA A 39 -1.368 10.676 -3.319 1.00 1.00 H new ATOM 0 HA ALA A 39 -3.676 9.587 -2.163 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -2.132 9.073 -0.292 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -1.394 8.708 -1.869 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -0.930 10.184 -0.989 1.00 1.00 H new ATOM 717 N LEU A 40 -2.966 12.579 -1.164 1.00 1.00 N ATOM 718 CA LEU A 40 -3.392 13.702 -0.336 1.00 1.00 C ATOM 719 C LEU A 40 -4.641 14.367 -0.913 1.00 1.00 C ATOM 720 O LEU A 40 -4.887 15.552 -0.687 1.00 1.00 O ATOM 721 CB LEU A 40 -2.259 14.727 -0.228 1.00 1.00 C ATOM 722 CG LEU A 40 -1.000 14.239 0.492 1.00 1.00 C ATOM 723 CD1 LEU A 40 0.103 15.281 0.405 1.00 1.00 C ATOM 724 CD2 LEU A 40 -1.314 13.919 1.946 1.00 1.00 C ATOM 0 H LEU A 40 -2.289 12.827 -1.885 1.00 1.00 H new ATOM 0 HA LEU A 40 -3.635 13.322 0.656 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.982 15.045 -1.233 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -2.636 15.607 0.292 1.00 1.00 H new ATOM 0 HG LEU A 40 -0.653 13.329 0.002 1.00 1.00 H new ATOM 0 HD11 LEU A 40 0.990 14.916 0.923 1.00 1.00 H new ATOM 0 HD12 LEU A 40 0.345 15.468 -0.641 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -0.234 16.207 0.871 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -0.409 13.573 2.446 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -1.684 14.815 2.444 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -2.074 13.139 1.991 1.00 1.00 H new ATOM 736 N ALA A 41 -5.438 13.594 -1.642 1.00 1.00 N ATOM 737 CA ALA A 41 -6.655 14.109 -2.260 1.00 1.00 C ATOM 738 C ALA A 41 -7.759 14.323 -1.227 1.00 1.00 C ATOM 739 O ALA A 41 -8.780 14.941 -1.516 1.00 1.00 O ATOM 740 CB ALA A 41 -7.134 13.167 -3.356 1.00 1.00 C ATOM 0 H ALA A 41 -5.263 12.605 -1.820 1.00 1.00 H new ATOM 0 HA ALA A 41 -6.418 15.077 -2.702 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -8.043 13.566 -3.807 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -6.361 13.074 -4.119 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -7.342 12.186 -2.928 1.00 1.00 H new ATOM 746 N GLY A 42 -7.551 13.805 -0.027 1.00 1.00 N ATOM 747 CA GLY A 42 -8.535 13.953 1.023 1.00 1.00 C ATOM 748 C GLY A 42 -7.966 13.602 2.379 1.00 1.00 C ATOM 749 O GLY A 42 -6.748 13.485 2.524 1.00 1.00 O ATOM 0 H GLY A 42 -6.716 13.283 0.239 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -8.900 14.980 1.037 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -9.391 13.313 0.811 1.00 1.00 H new ATOM 753 N PRO A 43 -8.823 13.434 3.395 1.00 1.00 N ATOM 754 CA PRO A 43 -8.392 13.101 4.754 1.00 1.00 C ATOM 755 C PRO A 43 -7.809 11.711 4.853 1.00 1.00 C ATOM 756 O PRO A 43 -8.278 10.772 4.207 1.00 1.00 O ATOM 757 CB PRO A 43 -9.673 13.220 5.595 1.00 1.00 C ATOM 758 CG PRO A 43 -10.668 13.904 4.715 1.00 1.00 C ATOM 759 CD PRO A 43 -10.282 13.562 3.307 1.00 1.00 C ATOM 0 HA PRO A 43 -7.595 13.762 5.093 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -10.032 12.238 5.904 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -9.493 13.794 6.504 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -11.680 13.565 4.935 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -10.651 14.982 4.873 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -10.750 12.636 2.972 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -10.579 14.341 2.605 1.00 1.00 H new ATOM 767 N PRO A 44 -6.771 11.571 5.684 1.00 1.00 N ATOM 768 CA PRO A 44 -5.983 10.354 5.752 1.00 1.00 C ATOM 769 C PRO A 44 -6.788 9.131 6.192 1.00 1.00 C ATOM 770 O PRO A 44 -6.529 8.018 5.740 1.00 1.00 O ATOM 771 CB PRO A 44 -4.885 10.671 6.775 1.00 1.00 C ATOM 772 CG PRO A 44 -4.865 12.156 6.879 1.00 1.00 C ATOM 773 CD PRO A 44 -6.270 12.604 6.606 1.00 1.00 C ATOM 0 HA PRO A 44 -5.599 10.088 4.767 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -5.101 10.212 7.740 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -3.919 10.286 6.448 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -4.539 12.474 7.869 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -4.170 12.589 6.160 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -6.863 12.653 7.519 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -6.297 13.596 6.155 1.00 1.00 H new ATOM 781 N ASN A 45 -7.761 9.332 7.075 1.00 1.00 N ATOM 782 CA ASN A 45 -8.569 8.220 7.571 1.00 1.00 C ATOM 783 C ASN A 45 -9.774 7.996 6.664 1.00 1.00 C ATOM 784 O ASN A 45 -10.448 6.967 6.741 1.00 1.00 O ATOM 785 CB ASN A 45 -9.047 8.481 9.002 1.00 1.00 C ATOM 786 CG ASN A 45 -9.617 7.234 9.657 1.00 1.00 C ATOM 787 OD1 ASN A 45 -9.104 6.128 9.469 1.00 1.00 O ATOM 788 ND2 ASN A 45 -10.695 7.397 10.405 1.00 1.00 N ATOM 0 H ASN A 45 -8.009 10.244 7.459 1.00 1.00 H new ATOM 0 HA ASN A 45 -7.944 7.327 7.571 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -8.214 8.853 9.598 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -9.807 9.263 8.992 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -11.133 6.591 10.851 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -11.089 8.329 10.536 1.00 1.00 H new ATOM 795 N ASP A 46 -10.040 8.968 5.802 1.00 1.00 N ATOM 796 CA ASP A 46 -11.145 8.870 4.867 1.00 1.00 C ATOM 797 C ASP A 46 -10.741 7.950 3.728 1.00 1.00 C ATOM 798 O ASP A 46 -11.562 7.234 3.163 1.00 1.00 O ATOM 799 CB ASP A 46 -11.521 10.253 4.338 1.00 1.00 C ATOM 800 CG ASP A 46 -12.841 10.261 3.598 1.00 1.00 C ATOM 801 OD1 ASP A 46 -12.854 9.969 2.390 1.00 1.00 O ATOM 802 OD2 ASP A 46 -13.874 10.596 4.218 1.00 1.00 O ATOM 0 H ASP A 46 -9.503 9.833 5.733 1.00 1.00 H new ATOM 0 HA ASP A 46 -12.019 8.459 5.372 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -11.573 10.954 5.171 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -10.735 10.608 3.672 1.00 1.00 H new ATOM 807 N PHE A 47 -9.452 7.970 3.419 1.00 1.00 N ATOM 808 CA PHE A 47 -8.869 7.048 2.459 1.00 1.00 C ATOM 809 C PHE A 47 -8.325 5.826 3.189 1.00 1.00 C ATOM 810 O PHE A 47 -8.367 5.759 4.418 1.00 1.00 O ATOM 811 CB PHE A 47 -7.743 7.729 1.673 1.00 1.00 C ATOM 812 CG PHE A 47 -8.218 8.721 0.649 1.00 1.00 C ATOM 813 CD1 PHE A 47 -8.839 9.897 1.033 1.00 1.00 C ATOM 814 CD2 PHE A 47 -8.044 8.472 -0.703 1.00 1.00 C ATOM 815 CE1 PHE A 47 -9.279 10.804 0.091 1.00 1.00 C ATOM 816 CE2 PHE A 47 -8.482 9.376 -1.651 1.00 1.00 C ATOM 817 CZ PHE A 47 -9.100 10.545 -1.254 1.00 1.00 C ATOM 0 H PHE A 47 -8.784 8.624 3.826 1.00 1.00 H new ATOM 0 HA PHE A 47 -9.643 6.738 1.757 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -7.081 8.237 2.375 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -7.150 6.963 1.173 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -8.981 10.107 2.083 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -7.560 7.560 -1.019 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -9.763 11.717 0.405 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -8.341 9.169 -2.702 1.00 1.00 H new ATOM 0 HZ PHE A 47 -9.442 11.255 -1.993 1.00 1.00 H new ATOM 827 N GLY A 48 -7.832 4.854 2.440 1.00 1.00 N ATOM 828 CA GLY A 48 -7.246 3.683 3.049 1.00 1.00 C ATOM 829 C GLY A 48 -6.613 2.763 2.031 1.00 1.00 C ATOM 830 O GLY A 48 -6.730 2.986 0.824 1.00 1.00 O ATOM 0 H GLY A 48 -7.828 4.856 1.420 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -6.493 3.992 3.774 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -8.014 3.139 3.599 1.00 1.00 H new ATOM 834 N LEU A 49 -5.943 1.731 2.514 1.00 1.00 N ATOM 835 CA LEU A 49 -5.304 0.761 1.643 1.00 1.00 C ATOM 836 C LEU A 49 -6.257 -0.382 1.335 1.00 1.00 C ATOM 837 O LEU A 49 -6.813 -1.007 2.242 1.00 1.00 O ATOM 838 CB LEU A 49 -4.016 0.232 2.278 1.00 1.00 C ATOM 839 CG LEU A 49 -2.861 1.231 2.310 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.656 0.632 3.011 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.494 1.659 0.899 1.00 1.00 C ATOM 0 H LEU A 49 -5.827 1.543 3.510 1.00 1.00 H new ATOM 0 HA LEU A 49 -5.044 1.256 0.707 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -4.233 -0.083 3.298 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.696 -0.655 1.732 1.00 1.00 H new ATOM 0 HG LEU A 49 -3.181 2.110 2.869 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.844 1.359 3.024 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.924 0.369 4.034 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -1.334 -0.263 2.479 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.670 2.371 0.938 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -2.193 0.786 0.321 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -3.356 2.128 0.425 1.00 1.00 H new ATOM 853 N PHE A 50 -6.450 -0.636 0.053 1.00 1.00 N ATOM 854 CA PHE A 50 -7.361 -1.673 -0.400 1.00 1.00 C ATOM 855 C PHE A 50 -6.588 -2.773 -1.115 1.00 1.00 C ATOM 856 O PHE A 50 -6.064 -2.567 -2.211 1.00 1.00 O ATOM 857 CB PHE A 50 -8.421 -1.062 -1.325 1.00 1.00 C ATOM 858 CG PHE A 50 -9.351 -2.060 -1.953 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.452 -2.534 -1.261 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.123 -2.520 -3.240 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.307 -3.450 -1.840 1.00 1.00 C ATOM 862 CE2 PHE A 50 -9.973 -3.435 -3.824 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.067 -3.900 -3.125 1.00 1.00 C ATOM 0 H PHE A 50 -5.982 -0.132 -0.701 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.863 -2.114 0.461 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -9.011 -0.343 -0.756 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.918 -0.506 -2.116 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.644 -2.184 -0.258 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.269 -2.157 -3.793 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.162 -3.815 -1.290 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -9.782 -3.787 -4.827 1.00 1.00 H new ATOM 0 HZ PHE A 50 -11.736 -4.615 -3.581 1.00 1.00 H new ATOM 873 N LEU A 51 -6.503 -3.931 -0.478 1.00 1.00 N ATOM 874 CA LEU A 51 -5.805 -5.075 -1.047 1.00 1.00 C ATOM 875 C LEU A 51 -6.554 -5.537 -2.287 1.00 1.00 C ATOM 876 O LEU A 51 -7.710 -5.938 -2.199 1.00 1.00 O ATOM 877 CB LEU A 51 -5.723 -6.206 -0.004 1.00 1.00 C ATOM 878 CG LEU A 51 -4.736 -7.348 -0.299 1.00 1.00 C ATOM 879 CD1 LEU A 51 -4.507 -8.174 0.957 1.00 1.00 C ATOM 880 CD2 LEU A 51 -5.238 -8.250 -1.419 1.00 1.00 C ATOM 0 H LEU A 51 -6.912 -4.104 0.440 1.00 1.00 H new ATOM 0 HA LEU A 51 -4.789 -4.796 -1.326 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -5.455 -5.765 0.956 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.718 -6.637 0.109 1.00 1.00 H new ATOM 0 HG LEU A 51 -3.797 -6.899 -0.622 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -3.807 -8.981 0.739 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -4.096 -7.538 1.741 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.454 -8.596 1.292 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -4.514 -9.045 -1.598 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -6.194 -8.688 -1.132 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -5.366 -7.664 -2.329 1.00 1.00 H new ATOM 892 N SER A 52 -5.910 -5.465 -3.437 1.00 1.00 N ATOM 893 CA SER A 52 -6.564 -5.821 -4.679 1.00 1.00 C ATOM 894 C SER A 52 -6.274 -7.270 -5.048 1.00 1.00 C ATOM 895 O SER A 52 -5.129 -7.730 -4.991 1.00 1.00 O ATOM 896 CB SER A 52 -6.115 -4.883 -5.794 1.00 1.00 C ATOM 897 OG SER A 52 -6.244 -3.531 -5.385 1.00 1.00 O ATOM 0 H SER A 52 -4.940 -5.165 -3.535 1.00 1.00 H new ATOM 0 HA SER A 52 -7.641 -5.717 -4.546 1.00 1.00 H new ATOM 0 HB2 SER A 52 -5.078 -5.092 -6.058 1.00 1.00 H new ATOM 0 HB3 SER A 52 -6.714 -5.058 -6.688 1.00 1.00 H new ATOM 0 HG SER A 52 -5.951 -2.940 -6.110 1.00 1.00 H new ATOM 903 N ASP A 53 -7.324 -7.981 -5.409 1.00 1.00 N ATOM 904 CA ASP A 53 -7.224 -9.377 -5.799 1.00 1.00 C ATOM 905 C ASP A 53 -7.644 -9.504 -7.264 1.00 1.00 C ATOM 906 O ASP A 53 -7.640 -8.510 -7.996 1.00 1.00 O ATOM 907 CB ASP A 53 -8.121 -10.230 -4.887 1.00 1.00 C ATOM 908 CG ASP A 53 -7.781 -11.709 -4.922 1.00 1.00 C ATOM 909 OD1 ASP A 53 -6.898 -12.139 -4.150 1.00 1.00 O ATOM 910 OD2 ASP A 53 -8.401 -12.449 -5.714 1.00 1.00 O ATOM 0 H ASP A 53 -8.273 -7.608 -5.441 1.00 1.00 H new ATOM 0 HA ASP A 53 -6.200 -9.734 -5.693 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.034 -9.869 -3.862 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -9.161 -10.096 -5.184 1.00 1.00 H new ATOM 915 N ASP A 54 -8.008 -10.699 -7.697 1.00 1.00 N ATOM 916 CA ASP A 54 -8.455 -10.901 -9.069 1.00 1.00 C ATOM 917 C ASP A 54 -9.936 -10.550 -9.181 1.00 1.00 C ATOM 918 O ASP A 54 -10.422 -10.145 -10.240 1.00 1.00 O ATOM 919 CB ASP A 54 -8.213 -12.348 -9.502 1.00 1.00 C ATOM 920 CG ASP A 54 -8.400 -12.551 -10.992 1.00 1.00 C ATOM 921 OD1 ASP A 54 -7.420 -12.370 -11.749 1.00 1.00 O ATOM 922 OD2 ASP A 54 -9.518 -12.898 -11.417 1.00 1.00 O ATOM 0 H ASP A 54 -8.004 -11.542 -7.123 1.00 1.00 H new ATOM 0 HA ASP A 54 -7.884 -10.249 -9.730 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -7.201 -12.642 -9.224 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -8.896 -13.004 -8.962 1.00 1.00 H new ATOM 927 N ASP A 55 -10.642 -10.690 -8.066 1.00 1.00 N ATOM 928 CA ASP A 55 -12.056 -10.343 -7.994 1.00 1.00 C ATOM 929 C ASP A 55 -12.249 -9.170 -7.033 1.00 1.00 C ATOM 930 O ASP A 55 -11.641 -9.140 -5.961 1.00 1.00 O ATOM 931 CB ASP A 55 -12.877 -11.550 -7.525 1.00 1.00 C ATOM 932 CG ASP A 55 -14.372 -11.287 -7.539 1.00 1.00 C ATOM 933 OD1 ASP A 55 -14.881 -10.646 -6.600 1.00 1.00 O ATOM 934 OD2 ASP A 55 -15.049 -11.726 -8.488 1.00 1.00 O ATOM 0 H ASP A 55 -10.254 -11.045 -7.192 1.00 1.00 H new ATOM 0 HA ASP A 55 -12.402 -10.054 -8.986 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -12.657 -12.404 -8.166 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -12.570 -11.822 -6.515 1.00 1.00 H new ATOM 939 N PRO A 56 -13.089 -8.188 -7.402 1.00 1.00 N ATOM 940 CA PRO A 56 -13.325 -6.987 -6.586 1.00 1.00 C ATOM 941 C PRO A 56 -13.890 -7.296 -5.198 1.00 1.00 C ATOM 942 O PRO A 56 -13.694 -6.528 -4.256 1.00 1.00 O ATOM 943 CB PRO A 56 -14.343 -6.182 -7.404 1.00 1.00 C ATOM 944 CG PRO A 56 -14.949 -7.163 -8.348 1.00 1.00 C ATOM 945 CD PRO A 56 -13.871 -8.160 -8.650 1.00 1.00 C ATOM 0 HA PRO A 56 -12.391 -6.459 -6.393 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -15.101 -5.735 -6.760 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -13.860 -5.366 -7.941 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -15.817 -7.649 -7.903 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -15.291 -6.670 -9.258 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -14.283 -9.140 -8.890 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -13.263 -7.852 -9.501 1.00 1.00 H new ATOM 953 N LYS A 57 -14.571 -8.428 -5.068 1.00 1.00 N ATOM 954 CA LYS A 57 -15.204 -8.791 -3.805 1.00 1.00 C ATOM 955 C LYS A 57 -14.209 -9.478 -2.880 1.00 1.00 C ATOM 956 O LYS A 57 -14.481 -9.677 -1.697 1.00 1.00 O ATOM 957 CB LYS A 57 -16.404 -9.704 -4.053 1.00 1.00 C ATOM 958 CG LYS A 57 -17.453 -9.089 -4.964 1.00 1.00 C ATOM 959 CD LYS A 57 -18.627 -10.030 -5.184 1.00 1.00 C ATOM 960 CE LYS A 57 -18.197 -11.330 -5.846 1.00 1.00 C ATOM 961 NZ LYS A 57 -17.522 -11.096 -7.150 1.00 1.00 N ATOM 0 H LYS A 57 -14.699 -9.108 -5.817 1.00 1.00 H new ATOM 0 HA LYS A 57 -15.550 -7.876 -3.324 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -16.055 -10.639 -4.492 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -16.865 -9.953 -3.097 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -17.811 -8.156 -4.529 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -17.001 -8.840 -5.924 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -19.100 -10.249 -4.227 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -19.376 -9.537 -5.804 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -17.523 -11.870 -5.181 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -19.070 -11.965 -5.999 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -17.352 -12.007 -7.621 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -18.127 -10.502 -7.752 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -16.614 -10.615 -6.990 1.00 1.00 H new ATOM 975 N LYS A 58 -13.060 -9.844 -3.429 1.00 1.00 N ATOM 976 CA LYS A 58 -12.009 -10.479 -2.645 1.00 1.00 C ATOM 977 C LYS A 58 -11.081 -9.428 -2.053 1.00 1.00 C ATOM 978 O LYS A 58 -10.262 -9.720 -1.181 1.00 1.00 O ATOM 979 CB LYS A 58 -11.214 -11.463 -3.507 1.00 1.00 C ATOM 980 CG LYS A 58 -12.034 -12.646 -3.999 1.00 1.00 C ATOM 981 CD LYS A 58 -12.565 -13.485 -2.846 1.00 1.00 C ATOM 982 CE LYS A 58 -11.440 -14.139 -2.054 1.00 1.00 C ATOM 983 NZ LYS A 58 -11.958 -14.915 -0.899 1.00 1.00 N ATOM 0 H LYS A 58 -12.831 -9.712 -4.414 1.00 1.00 H new ATOM 0 HA LYS A 58 -12.475 -11.032 -1.830 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -10.807 -10.932 -4.367 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -10.366 -11.834 -2.931 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -12.869 -12.285 -4.600 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -11.419 -13.269 -4.649 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -13.158 -12.856 -2.182 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -13.231 -14.255 -3.234 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -10.870 -14.798 -2.709 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -10.753 -13.372 -1.698 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -11.163 -15.345 -0.385 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -12.480 -14.281 -0.261 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -12.594 -15.663 -1.241 1.00 1.00 H new ATOM 997 N GLY A 59 -11.220 -8.200 -2.533 1.00 1.00 N ATOM 998 CA GLY A 59 -10.412 -7.112 -2.031 1.00 1.00 C ATOM 999 C GLY A 59 -10.864 -6.657 -0.659 1.00 1.00 C ATOM 1000 O GLY A 59 -12.055 -6.426 -0.441 1.00 1.00 O ATOM 0 H GLY A 59 -11.882 -7.939 -3.264 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -9.369 -7.426 -1.984 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -10.461 -6.273 -2.726 1.00 1.00 H new ATOM 1004 N ILE A 60 -9.919 -6.523 0.260 1.00 1.00 N ATOM 1005 CA ILE A 60 -10.235 -6.146 1.632 1.00 1.00 C ATOM 1006 C ILE A 60 -9.499 -4.873 2.040 1.00 1.00 C ATOM 1007 O ILE A 60 -8.493 -4.500 1.432 1.00 1.00 O ATOM 1008 CB ILE A 60 -9.884 -7.277 2.625 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -8.412 -7.680 2.484 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -10.799 -8.476 2.407 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -7.975 -8.752 3.459 1.00 1.00 C ATOM 0 H ILE A 60 -8.926 -6.670 0.081 1.00 1.00 H new ATOM 0 HA ILE A 60 -11.309 -5.965 1.668 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.038 -6.909 3.640 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -8.238 -8.034 1.468 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -7.788 -6.797 2.626 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -10.540 -9.265 3.113 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -11.835 -8.176 2.562 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -10.677 -8.846 1.389 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -6.922 -8.983 3.297 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.116 -8.395 4.479 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.572 -9.651 3.303 1.00 1.00 H new ATOM 1023 N TRP A 61 -10.005 -4.216 3.074 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.412 -2.980 3.565 1.00 1.00 C ATOM 1025 C TRP A 61 -8.405 -3.264 4.670 1.00 1.00 C ATOM 1026 O TRP A 61 -8.760 -3.799 5.723 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.497 -2.041 4.085 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.344 -1.450 3.009 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.536 -1.926 2.562 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -11.066 -0.274 2.245 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -13.030 -1.109 1.574 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -12.143 -0.089 1.359 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -10.015 0.642 2.226 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -12.196 0.978 0.467 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -10.070 1.698 1.339 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -11.151 1.858 0.474 1.00 1.00 C ATOM 0 H TRP A 61 -10.829 -4.520 3.592 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.893 -2.502 2.735 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -11.136 -2.587 4.779 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -10.028 -1.235 4.650 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -13.024 -2.817 2.930 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.913 -1.241 1.081 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -9.173 0.527 2.893 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -13.032 1.106 -0.205 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -9.261 2.413 1.315 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -11.163 2.697 -0.206 1.00 1.00 H new ATOM 1047 N LEU A 62 -7.155 -2.907 4.427 1.00 1.00 N ATOM 1048 CA LEU A 62 -6.097 -3.111 5.405 1.00 1.00 C ATOM 1049 C LEU A 62 -6.269 -2.171 6.592 1.00 1.00 C ATOM 1050 O LEU A 62 -6.413 -0.958 6.419 1.00 1.00 O ATOM 1051 CB LEU A 62 -4.715 -2.901 4.775 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.257 -3.980 3.792 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -4.988 -3.858 2.468 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -2.753 -3.899 3.581 1.00 1.00 C ATOM 0 H LEU A 62 -6.846 -2.473 3.557 1.00 1.00 H new ATOM 0 HA LEU A 62 -6.168 -4.141 5.755 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.715 -1.942 4.257 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -3.979 -2.831 5.576 1.00 1.00 H new ATOM 0 HG LEU A 62 -4.498 -4.953 4.220 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.643 -4.637 1.789 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -6.060 -3.969 2.633 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.787 -2.880 2.030 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.442 -4.673 2.879 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.494 -2.919 3.179 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.244 -4.047 4.533 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.267 -2.741 7.789 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.387 -1.964 9.014 1.00 1.00 C ATOM 1068 C GLU A 63 -5.067 -1.282 9.344 1.00 1.00 C ATOM 1069 O GLU A 63 -4.013 -1.911 9.295 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.783 -2.870 10.177 1.00 1.00 C ATOM 1071 CG GLU A 63 -8.101 -3.596 9.980 1.00 1.00 C ATOM 1072 CD GLU A 63 -8.394 -4.545 11.119 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -7.786 -5.636 11.155 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -9.206 -4.195 12.000 1.00 1.00 O ATOM 0 H GLU A 63 -6.183 -3.747 7.938 1.00 1.00 H new ATOM 0 HA GLU A 63 -7.156 -1.207 8.861 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -5.995 -3.607 10.333 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.844 -2.271 11.085 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.908 -2.868 9.896 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -8.074 -4.151 9.042 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.142 -0.008 9.707 1.00 1.00 N ATOM 1082 CA ALA A 64 -3.964 0.788 10.053 1.00 1.00 C ATOM 1083 C ALA A 64 -3.106 0.110 11.121 1.00 1.00 C ATOM 1084 O ALA A 64 -1.879 0.204 11.084 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.403 2.163 10.534 1.00 1.00 C ATOM 0 H ALA A 64 -6.021 0.506 9.771 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.351 0.884 9.157 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.525 2.756 10.792 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -4.960 2.665 9.743 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -5.039 2.055 11.413 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.749 -0.598 12.047 1.00 1.00 N ATOM 1092 CA GLY A 65 -3.029 -1.197 13.151 1.00 1.00 C ATOM 1093 C GLY A 65 -2.392 -2.522 12.788 1.00 1.00 C ATOM 1094 O GLY A 65 -1.793 -3.179 13.635 1.00 1.00 O ATOM 0 H GLY A 65 -4.755 -0.766 12.050 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -2.255 -0.508 13.490 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.713 -1.345 13.987 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.526 -2.924 11.533 1.00 1.00 N ATOM 1099 CA LYS A 66 -1.910 -4.155 11.065 1.00 1.00 C ATOM 1100 C LYS A 66 -0.743 -3.831 10.140 1.00 1.00 C ATOM 1101 O LYS A 66 -0.571 -2.682 9.731 1.00 1.00 O ATOM 1102 CB LYS A 66 -2.934 -5.031 10.336 1.00 1.00 C ATOM 1103 CG LYS A 66 -4.181 -5.344 11.154 1.00 1.00 C ATOM 1104 CD LYS A 66 -3.833 -5.909 12.521 1.00 1.00 C ATOM 1105 CE LYS A 66 -5.075 -6.259 13.329 1.00 1.00 C ATOM 1106 NZ LYS A 66 -6.124 -5.211 13.244 1.00 1.00 N ATOM 0 H LYS A 66 -3.054 -2.417 10.823 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.540 -4.708 11.928 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.233 -4.531 9.415 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.456 -5.968 10.050 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.773 -4.437 11.276 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.801 -6.059 10.613 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -3.218 -6.800 12.398 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -3.236 -5.182 13.072 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -5.482 -7.205 12.972 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -4.796 -6.405 14.373 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -6.904 -5.448 13.890 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -5.719 -4.292 13.513 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -6.484 -5.159 12.270 1.00 1.00 H new ATOM 1120 N ALA A 67 0.064 -4.833 9.826 1.00 1.00 N ATOM 1121 CA ALA A 67 1.208 -4.641 8.946 1.00 1.00 C ATOM 1122 C ALA A 67 0.926 -5.200 7.558 1.00 1.00 C ATOM 1123 O ALA A 67 -0.046 -5.930 7.358 1.00 1.00 O ATOM 1124 CB ALA A 67 2.450 -5.288 9.537 1.00 1.00 C ATOM 0 H ALA A 67 -0.052 -5.787 10.167 1.00 1.00 H new ATOM 0 HA ALA A 67 1.386 -3.570 8.851 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.295 -5.134 8.866 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.669 -4.838 10.505 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.278 -6.357 9.665 1.00 1.00 H new ATOM 1130 N LEU A 68 1.782 -4.861 6.605 1.00 1.00 N ATOM 1131 CA LEU A 68 1.624 -5.314 5.228 1.00 1.00 C ATOM 1132 C LEU A 68 1.852 -6.819 5.116 1.00 1.00 C ATOM 1133 O LEU A 68 1.073 -7.529 4.477 1.00 1.00 O ATOM 1134 CB LEU A 68 2.592 -4.564 4.314 1.00 1.00 C ATOM 1135 CG LEU A 68 2.431 -3.043 4.314 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.434 -2.407 3.373 1.00 1.00 C ATOM 1137 CD2 LEU A 68 1.012 -2.651 3.928 1.00 1.00 C ATOM 0 H LEU A 68 2.599 -4.270 6.760 1.00 1.00 H new ATOM 0 HA LEU A 68 0.602 -5.102 4.915 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.612 -4.807 4.612 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.463 -4.928 3.295 1.00 1.00 H new ATOM 0 HG LEU A 68 2.622 -2.677 5.323 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.307 -1.324 3.384 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.445 -2.657 3.695 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.273 -2.781 2.362 1.00 1.00 H new ATOM 0 HD21 LEU A 68 0.920 -1.565 3.934 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.789 -3.028 2.930 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.309 -3.079 4.643 1.00 1.00 H new ATOM 1149 N ASP A 69 2.916 -7.303 5.753 1.00 1.00 N ATOM 1150 CA ASP A 69 3.231 -8.733 5.755 1.00 1.00 C ATOM 1151 C ASP A 69 2.090 -9.528 6.380 1.00 1.00 C ATOM 1152 O ASP A 69 1.815 -10.666 5.995 1.00 1.00 O ATOM 1153 CB ASP A 69 4.527 -8.992 6.528 1.00 1.00 C ATOM 1154 CG ASP A 69 4.906 -10.459 6.557 1.00 1.00 C ATOM 1155 OD1 ASP A 69 5.528 -10.936 5.586 1.00 1.00 O ATOM 1156 OD2 ASP A 69 4.589 -11.146 7.552 1.00 1.00 O ATOM 0 H ASP A 69 3.576 -6.727 6.275 1.00 1.00 H new ATOM 0 HA ASP A 69 3.363 -9.056 4.722 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.337 -8.420 6.074 1.00 1.00 H new ATOM 0 HB3 ASP A 69 4.415 -8.629 7.550 1.00 1.00 H new ATOM 1161 N TYR A 70 1.411 -8.893 7.326 1.00 1.00 N ATOM 1162 CA TYR A 70 0.294 -9.497 8.040 1.00 1.00 C ATOM 1163 C TYR A 70 -0.835 -9.868 7.080 1.00 1.00 C ATOM 1164 O TYR A 70 -1.592 -10.807 7.323 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.218 -8.510 9.091 1.00 1.00 C ATOM 1166 CG TYR A 70 -1.249 -9.077 10.039 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -0.900 -10.037 10.978 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -2.567 -8.641 10.003 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -1.835 -10.550 11.854 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -3.508 -9.148 10.879 1.00 1.00 C ATOM 1171 CZ TYR A 70 -3.137 -10.102 11.802 1.00 1.00 C ATOM 1172 OH TYR A 70 -4.070 -10.608 12.679 1.00 1.00 O ATOM 0 H TYR A 70 1.621 -7.939 7.621 1.00 1.00 H new ATOM 0 HA TYR A 70 0.638 -10.412 8.523 1.00 1.00 H new ATOM 0 HB2 TYR A 70 0.630 -8.147 9.672 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -0.648 -7.648 8.581 1.00 1.00 H new ATOM 0 HD1 TYR A 70 0.120 -10.389 11.024 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -2.861 -7.895 9.280 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -1.547 -11.299 12.577 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -4.529 -8.798 10.841 1.00 1.00 H new ATOM 0 HH TYR A 70 -4.939 -10.187 12.511 1.00 1.00 H new ATOM 1182 N TYR A 71 -0.928 -9.135 5.980 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.995 -9.335 5.009 1.00 1.00 C ATOM 1184 C TYR A 71 -1.541 -10.189 3.829 1.00 1.00 C ATOM 1185 O TYR A 71 -2.180 -10.188 2.780 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.503 -7.985 4.511 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.513 -7.341 5.430 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -4.841 -7.744 5.418 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -3.141 -6.329 6.303 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -5.771 -7.155 6.251 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -4.065 -5.737 7.139 1.00 1.00 C ATOM 1192 CZ TYR A 71 -5.378 -6.152 7.109 1.00 1.00 C ATOM 1193 OH TYR A 71 -6.300 -5.561 7.940 1.00 1.00 O ATOM 0 H TYR A 71 -0.273 -8.392 5.736 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.802 -9.870 5.510 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.655 -7.311 4.387 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.952 -8.116 3.527 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -5.152 -8.531 4.746 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -2.113 -6.000 6.329 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -6.801 -7.479 6.230 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -3.760 -4.951 7.814 1.00 1.00 H new ATOM 0 HH TYR A 71 -5.955 -5.551 8.857 1.00 1.00 H new ATOM 1203 N MET A 72 -0.437 -10.916 4.014 1.00 1.00 N ATOM 1204 CA MET A 72 0.065 -11.847 2.999 1.00 1.00 C ATOM 1205 C MET A 72 0.482 -11.118 1.722 1.00 1.00 C ATOM 1206 O MET A 72 0.486 -11.704 0.638 1.00 1.00 O ATOM 1207 CB MET A 72 -0.990 -12.913 2.661 1.00 1.00 C ATOM 1208 CG MET A 72 -1.299 -13.865 3.803 1.00 1.00 C ATOM 1209 SD MET A 72 -2.458 -15.163 3.324 1.00 1.00 S ATOM 1210 CE MET A 72 -2.495 -16.150 4.818 1.00 1.00 C ATOM 0 H MET A 72 0.129 -10.878 4.861 1.00 1.00 H new ATOM 0 HA MET A 72 0.944 -12.334 3.421 1.00 1.00 H new ATOM 0 HB2 MET A 72 -1.911 -12.414 2.359 1.00 1.00 H new ATOM 0 HB3 MET A 72 -0.645 -13.491 1.804 1.00 1.00 H new ATOM 0 HG2 MET A 72 -0.373 -14.320 4.153 1.00 1.00 H new ATOM 0 HG3 MET A 72 -1.714 -13.302 4.639 1.00 1.00 H new ATOM 0 HE1 MET A 72 -3.170 -16.994 4.680 1.00 1.00 H new ATOM 0 HE2 MET A 72 -1.493 -16.519 5.035 1.00 1.00 H new ATOM 0 HE3 MET A 72 -2.845 -15.538 5.650 1.00 1.00 H new ATOM 1220 N LEU A 73 0.845 -9.849 1.856 1.00 1.00 N ATOM 1221 CA LEU A 73 1.271 -9.053 0.713 1.00 1.00 C ATOM 1222 C LEU A 73 2.657 -9.479 0.243 1.00 1.00 C ATOM 1223 O LEU A 73 3.509 -9.859 1.051 1.00 1.00 O ATOM 1224 CB LEU A 73 1.258 -7.564 1.061 1.00 1.00 C ATOM 1225 CG LEU A 73 -0.124 -6.992 1.385 1.00 1.00 C ATOM 1226 CD1 LEU A 73 -0.021 -5.521 1.748 1.00 1.00 C ATOM 1227 CD2 LEU A 73 -1.067 -7.184 0.208 1.00 1.00 C ATOM 0 H LEU A 73 0.853 -9.349 2.745 1.00 1.00 H new ATOM 0 HA LEU A 73 0.567 -9.224 -0.102 1.00 1.00 H new ATOM 0 HB2 LEU A 73 1.913 -7.400 1.916 1.00 1.00 H new ATOM 0 HB3 LEU A 73 1.679 -7.006 0.225 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.527 -7.530 2.243 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -1.014 -5.132 1.975 1.00 1.00 H new ATOM 0 HD12 LEU A 73 0.622 -5.406 2.620 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.402 -4.968 0.909 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -2.045 -6.772 0.455 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.667 -6.671 -0.666 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -1.166 -8.248 -0.009 1.00 1.00 H new ATOM 1239 N ARG A 74 2.866 -9.429 -1.068 1.00 1.00 N ATOM 1240 CA ARG A 74 4.115 -9.872 -1.673 1.00 1.00 C ATOM 1241 C ARG A 74 4.573 -8.873 -2.728 1.00 1.00 C ATOM 1242 O ARG A 74 3.859 -7.918 -3.045 1.00 1.00 O ATOM 1243 CB ARG A 74 3.919 -11.236 -2.338 1.00 1.00 C ATOM 1244 CG ARG A 74 3.292 -12.282 -1.437 1.00 1.00 C ATOM 1245 CD ARG A 74 2.557 -13.324 -2.257 1.00 1.00 C ATOM 1246 NE ARG A 74 1.480 -12.725 -3.042 1.00 1.00 N ATOM 1247 CZ ARG A 74 0.568 -13.417 -3.717 1.00 1.00 C ATOM 1248 NH1 ARG A 74 0.607 -14.744 -3.730 1.00 1.00 N ATOM 1249 NH2 ARG A 74 -0.381 -12.778 -4.384 1.00 1.00 N ATOM 0 H ARG A 74 2.179 -9.082 -1.737 1.00 1.00 H new ATOM 0 HA ARG A 74 4.869 -9.947 -0.889 1.00 1.00 H new ATOM 0 HB2 ARG A 74 3.292 -11.111 -3.221 1.00 1.00 H new ATOM 0 HB3 ARG A 74 4.886 -11.602 -2.683 1.00 1.00 H new ATOM 0 HG2 ARG A 74 4.065 -12.763 -0.837 1.00 1.00 H new ATOM 0 HG3 ARG A 74 2.601 -11.804 -0.743 1.00 1.00 H new ATOM 0 HD2 ARG A 74 3.259 -13.826 -2.923 1.00 1.00 H new ATOM 0 HD3 ARG A 74 2.146 -14.086 -1.595 1.00 1.00 H new ATOM 0 HE ARG A 74 1.424 -11.707 -3.074 1.00 1.00 H new ATOM 0 HH11 ARG A 74 1.340 -15.238 -3.220 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -0.096 -15.270 -4.250 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -0.410 -11.758 -4.378 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -1.083 -13.305 -4.903 1.00 1.00 H new ATOM 1263 N ASN A 75 5.758 -9.100 -3.276 1.00 1.00 N ATOM 1264 CA ASN A 75 6.253 -8.291 -4.380 1.00 1.00 C ATOM 1265 C ASN A 75 5.560 -8.698 -5.678 1.00 1.00 C ATOM 1266 O ASN A 75 5.716 -9.818 -6.166 1.00 1.00 O ATOM 1267 CB ASN A 75 7.783 -8.403 -4.522 1.00 1.00 C ATOM 1268 CG ASN A 75 8.282 -9.817 -4.796 1.00 1.00 C ATOM 1269 OD1 ASN A 75 7.717 -10.801 -4.319 1.00 1.00 O ATOM 1270 ND2 ASN A 75 9.346 -9.923 -5.577 1.00 1.00 N ATOM 0 H ASN A 75 6.394 -9.838 -2.974 1.00 1.00 H new ATOM 0 HA ASN A 75 6.021 -7.248 -4.166 1.00 1.00 H new ATOM 0 HB2 ASN A 75 8.110 -7.751 -5.332 1.00 1.00 H new ATOM 0 HB3 ASN A 75 8.250 -8.036 -3.608 1.00 1.00 H new ATOM 0 HD21 ASN A 75 9.724 -10.843 -5.802 1.00 1.00 H new ATOM 0 HD22 ASN A 75 9.788 -9.084 -5.954 1.00 1.00 H new ATOM 1277 N GLY A 76 4.774 -7.785 -6.223 1.00 1.00 N ATOM 1278 CA GLY A 76 4.032 -8.073 -7.429 1.00 1.00 C ATOM 1279 C GLY A 76 2.541 -7.925 -7.226 1.00 1.00 C ATOM 1280 O GLY A 76 1.776 -7.876 -8.190 1.00 1.00 O ATOM 0 H GLY A 76 4.637 -6.846 -5.850 1.00 1.00 H new ATOM 0 HA2 GLY A 76 4.358 -7.402 -8.224 1.00 1.00 H new ATOM 0 HA3 GLY A 76 4.254 -9.088 -7.758 1.00 1.00 H new ATOM 1284 N ASP A 77 2.120 -7.850 -5.971 1.00 1.00 N ATOM 1285 CA ASP A 77 0.705 -7.689 -5.656 1.00 1.00 C ATOM 1286 C ASP A 77 0.242 -6.274 -5.950 1.00 1.00 C ATOM 1287 O ASP A 77 1.051 -5.352 -6.070 1.00 1.00 O ATOM 1288 CB ASP A 77 0.415 -8.033 -4.194 1.00 1.00 C ATOM 1289 CG ASP A 77 0.288 -9.521 -3.966 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -0.824 -10.062 -4.140 1.00 1.00 O ATOM 1291 OD2 ASP A 77 1.299 -10.159 -3.620 1.00 1.00 O ATOM 0 H ASP A 77 2.733 -7.898 -5.157 1.00 1.00 H new ATOM 0 HA ASP A 77 0.153 -8.383 -6.290 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.214 -7.639 -3.566 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -0.507 -7.541 -3.884 1.00 1.00 H new ATOM 1296 N THR A 78 -1.059 -6.112 -6.075 1.00 1.00 N ATOM 1297 CA THR A 78 -1.641 -4.817 -6.345 1.00 1.00 C ATOM 1298 C THR A 78 -2.449 -4.351 -5.145 1.00 1.00 C ATOM 1299 O THR A 78 -3.214 -5.123 -4.564 1.00 1.00 O ATOM 1300 CB THR A 78 -2.552 -4.872 -7.587 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.841 -5.468 -8.680 1.00 1.00 O ATOM 1302 CG2 THR A 78 -3.021 -3.480 -7.988 1.00 1.00 C ATOM 0 H THR A 78 -1.737 -6.869 -5.993 1.00 1.00 H new ATOM 0 HA THR A 78 -0.831 -4.114 -6.537 1.00 1.00 H new ATOM 0 HB THR A 78 -3.428 -5.472 -7.340 1.00 1.00 H new ATOM 0 HG1 THR A 78 -2.423 -5.504 -9.468 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.662 -3.551 -8.867 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.581 -3.034 -7.166 1.00 1.00 H new ATOM 0 HG23 THR A 78 -2.157 -2.857 -8.218 1.00 1.00 H new ATOM 1310 N MET A 79 -2.262 -3.107 -4.752 1.00 1.00 N ATOM 1311 CA MET A 79 -3.060 -2.533 -3.694 1.00 1.00 C ATOM 1312 C MET A 79 -3.503 -1.146 -4.102 1.00 1.00 C ATOM 1313 O MET A 79 -2.694 -0.324 -4.531 1.00 1.00 O ATOM 1314 CB MET A 79 -2.273 -2.473 -2.390 1.00 1.00 C ATOM 1315 CG MET A 79 -3.128 -2.150 -1.177 1.00 1.00 C ATOM 1316 SD MET A 79 -2.263 -2.439 0.373 1.00 1.00 S ATOM 1317 CE MET A 79 -0.781 -1.483 0.097 1.00 1.00 C ATOM 0 H MET A 79 -1.565 -2.477 -5.150 1.00 1.00 H new ATOM 0 HA MET A 79 -3.934 -3.163 -3.528 1.00 1.00 H new ATOM 0 HB2 MET A 79 -1.778 -3.431 -2.230 1.00 1.00 H new ATOM 0 HB3 MET A 79 -1.490 -1.721 -2.483 1.00 1.00 H new ATOM 0 HG2 MET A 79 -3.442 -1.107 -1.225 1.00 1.00 H new ATOM 0 HG3 MET A 79 -4.033 -2.757 -1.203 1.00 1.00 H new ATOM 0 HE1 MET A 79 -0.291 -1.289 1.051 1.00 1.00 H new ATOM 0 HE2 MET A 79 -0.105 -2.039 -0.552 1.00 1.00 H new ATOM 0 HE3 MET A 79 -1.042 -0.536 -0.377 1.00 1.00 H new ATOM 1327 N GLU A 80 -4.780 -0.884 -3.968 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.326 0.381 -4.385 1.00 1.00 C ATOM 1329 C GLU A 80 -5.552 1.275 -3.181 1.00 1.00 C ATOM 1330 O GLU A 80 -6.458 1.044 -2.382 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.629 0.162 -5.162 1.00 1.00 C ATOM 1332 CG GLU A 80 -7.242 1.441 -5.706 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.179 1.186 -6.864 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -9.363 0.878 -6.626 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -7.735 1.291 -8.027 1.00 1.00 O ATOM 0 H GLU A 80 -5.461 -1.532 -3.572 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.615 0.877 -5.046 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -6.436 -0.519 -5.991 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.352 -0.327 -4.509 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -7.785 1.948 -4.908 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.447 2.113 -6.028 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.692 2.269 -3.018 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.920 3.279 -2.004 1.00 1.00 C ATOM 1344 C TYR A 81 -6.011 4.220 -2.497 1.00 1.00 C ATOM 1345 O TYR A 81 -5.787 5.067 -3.363 1.00 1.00 O ATOM 1346 CB TYR A 81 -3.626 4.044 -1.658 1.00 1.00 C ATOM 1347 CG TYR A 81 -3.836 5.173 -0.674 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -3.868 4.938 0.694 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -3.997 6.476 -1.119 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -4.055 5.973 1.589 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -4.186 7.514 -0.232 1.00 1.00 C ATOM 1352 CZ TYR A 81 -4.213 7.260 1.121 1.00 1.00 C ATOM 1353 OH TYR A 81 -4.391 8.295 2.010 1.00 1.00 O ATOM 0 H TYR A 81 -3.842 2.395 -3.568 1.00 1.00 H new ATOM 0 HA TYR A 81 -5.243 2.797 -1.081 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.899 3.344 -1.246 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -3.196 4.447 -2.575 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -3.745 3.931 1.064 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -3.974 6.681 -2.179 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -4.077 5.775 2.650 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -4.312 8.523 -0.597 1.00 1.00 H new ATOM 0 HH TYR A 81 -4.486 9.137 1.517 1.00 1.00 H new ATOM 1363 N ARG A 82 -7.199 4.041 -1.947 1.00 1.00 N ATOM 1364 CA ARG A 82 -8.380 4.747 -2.409 1.00 1.00 C ATOM 1365 C ARG A 82 -9.208 5.218 -1.227 1.00 1.00 C ATOM 1366 O ARG A 82 -8.923 4.873 -0.080 1.00 1.00 O ATOM 1367 CB ARG A 82 -9.238 3.845 -3.304 1.00 1.00 C ATOM 1368 CG ARG A 82 -9.629 2.528 -2.650 1.00 1.00 C ATOM 1369 CD ARG A 82 -10.948 2.000 -3.192 1.00 1.00 C ATOM 1370 NE ARG A 82 -10.942 1.849 -4.645 1.00 1.00 N ATOM 1371 CZ ARG A 82 -11.990 2.108 -5.426 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -13.130 2.547 -4.909 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -11.894 1.924 -6.734 1.00 1.00 N ATOM 0 H ARG A 82 -7.372 3.404 -1.170 1.00 1.00 H new ATOM 0 HA ARG A 82 -8.051 5.610 -2.988 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -10.143 4.383 -3.586 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -8.692 3.636 -4.224 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -8.845 1.790 -2.820 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -9.708 2.667 -1.572 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -11.165 1.036 -2.732 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -11.751 2.678 -2.905 1.00 1.00 H new ATOM 0 HE ARG A 82 -10.083 1.525 -5.089 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -13.212 2.690 -3.902 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -13.925 2.742 -5.518 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -11.021 1.586 -7.139 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -12.693 2.121 -7.337 1.00 1.00 H new ATOM 1387 N LYS A 83 -10.230 6.005 -1.512 1.00 1.00 N ATOM 1388 CA LYS A 83 -11.114 6.510 -0.478 1.00 1.00 C ATOM 1389 C LYS A 83 -12.051 5.413 0.022 1.00 1.00 C ATOM 1390 O LYS A 83 -12.546 4.601 -0.761 1.00 1.00 O ATOM 1391 CB LYS A 83 -11.926 7.694 -1.012 1.00 1.00 C ATOM 1392 CG LYS A 83 -13.097 8.070 -0.123 1.00 1.00 C ATOM 1393 CD LYS A 83 -13.856 9.274 -0.649 1.00 1.00 C ATOM 1394 CE LYS A 83 -15.215 9.404 0.022 1.00 1.00 C ATOM 1395 NZ LYS A 83 -15.158 9.049 1.465 1.00 1.00 N ATOM 0 H LYS A 83 -10.469 6.309 -2.456 1.00 1.00 H new ATOM 0 HA LYS A 83 -10.503 6.845 0.360 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -11.269 8.557 -1.119 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -12.298 7.451 -2.007 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -13.777 7.222 -0.043 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -12.733 8.283 0.882 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -13.274 10.179 -0.475 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -13.987 9.182 -1.727 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -15.577 10.427 -0.086 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -15.932 8.757 -0.483 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -15.930 9.528 1.971 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -15.259 8.020 1.574 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -14.245 9.351 1.861 1.00 1.00 H new ATOM 1409 N LYS A 84 -12.272 5.385 1.328 1.00 1.00 N ATOM 1410 CA LYS A 84 -13.258 4.497 1.919 1.00 1.00 C ATOM 1411 C LYS A 84 -14.646 5.070 1.670 1.00 1.00 C ATOM 1412 O LYS A 84 -14.816 6.289 1.733 1.00 1.00 O ATOM 1413 CB LYS A 84 -13.032 4.362 3.427 1.00 1.00 C ATOM 1414 CG LYS A 84 -11.681 3.780 3.818 1.00 1.00 C ATOM 1415 CD LYS A 84 -11.483 3.843 5.325 1.00 1.00 C ATOM 1416 CE LYS A 84 -10.224 3.118 5.770 1.00 1.00 C ATOM 1417 NZ LYS A 84 -10.288 1.662 5.473 1.00 1.00 N ATOM 0 H LYS A 84 -11.778 5.971 2.001 1.00 1.00 H new ATOM 0 HA LYS A 84 -13.164 3.511 1.464 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -13.135 5.345 3.886 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -13.818 3.732 3.843 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -11.614 2.746 3.481 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -10.884 4.331 3.318 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -11.430 4.885 5.639 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -12.348 3.404 5.822 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -9.359 3.553 5.270 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -10.080 3.264 6.841 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -9.556 1.164 6.019 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -11.225 1.295 5.735 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -10.127 1.508 4.457 1.00 1.00 H new ATOM 1431 N GLN A 85 -15.619 4.193 1.407 1.00 1.00 N ATOM 1432 CA GLN A 85 -17.004 4.587 1.105 1.00 1.00 C ATOM 1433 C GLN A 85 -17.068 5.788 0.154 1.00 1.00 C ATOM 1434 O GLN A 85 -16.979 5.574 -1.074 1.00 1.00 O ATOM 1435 CB GLN A 85 -17.826 4.844 2.387 1.00 1.00 C ATOM 1436 CG GLN A 85 -17.199 5.817 3.380 1.00 1.00 C ATOM 1437 CD GLN A 85 -18.112 6.149 4.545 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -17.648 6.400 5.658 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -19.410 6.174 4.298 1.00 1.00 N ATOM 1440 OXT GLN A 85 -17.219 6.935 0.624 1.00 1.00 O ATOM 0 H GLN A 85 -15.470 3.184 1.397 1.00 1.00 H new ATOM 0 HA GLN A 85 -17.460 3.741 0.590 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -18.806 5.225 2.100 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -17.989 3.891 2.891 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -16.272 5.389 3.763 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -16.934 6.738 2.860 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -19.755 5.960 3.362 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -20.067 6.407 5.043 1.00 1.00 H new TER 1449 GLN A 85