USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 788 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 82 SER OG : rot 180:sc= -0.259 USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= -0.461 USER MOD Set 2.1: A 83 THR OG1 : rot 180:sc= 0.00208 USER MOD Set 2.2: A 84 ASN : amide:sc= -0.136 X(o=-0.13,f=0.0021) USER MOD Single : A 1 ARG N :NH3+ -170:sc= -0.0137 (180deg=-0.137) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -6.64! C(o=-6.6!,f=-6.5!) USER MOD Single : A 20 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.025) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl -121:sc= -2.01 (180deg=-6.42!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0545 USER MOD Single : A 43 LYS NZ :NH3+ 177:sc=0.000228 (180deg=6.96e-05) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.126) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -7.94! C(o=-7.9!,f=-10!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.245) USER MOD Single : A 67 ASN : amide:sc= -2.8! C(o=-2.8!,f=-5.7!) USER MOD Single : A 69 THR OG1 : rot -49:sc= -1.42! USER MOD Single : A 73 SER OG : rot -12:sc= 1.08 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0242 USER MOD Single : A 76 TYR OH : rot 5:sc= -0.0729 USER MOD Single : A 77 ASN : amide:sc= -4.38! C(o=-4.4!,f=-7.5!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 165:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -0.819 F(o=-1.6,f=-0.82) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.739 16.188 -6.719 1.00 0.00 N ATOM 2 CA ARG A 1 4.623 16.951 -7.639 1.00 0.00 C ATOM 3 C ARG A 1 5.566 16.023 -8.396 1.00 0.00 C ATOM 4 O ARG A 1 5.872 16.251 -9.566 1.00 0.00 O ATOM 5 CB ARG A 1 5.426 17.961 -6.815 1.00 0.00 C ATOM 6 CG ARG A 1 5.652 19.285 -7.528 1.00 0.00 C ATOM 7 CD ARG A 1 4.508 20.255 -7.276 1.00 0.00 C ATOM 8 NE ARG A 1 4.965 21.642 -7.245 1.00 0.00 N ATOM 9 CZ ARG A 1 5.687 22.163 -6.256 1.00 0.00 C ATOM 10 NH1 ARG A 1 6.038 21.417 -5.217 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.061 23.435 -6.308 1.00 0.00 N ATOM 0 H1 ARG A 1 3.000 16.817 -6.346 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.296 15.402 -7.236 1.00 0.00 H new ATOM 0 H3 ARG A 1 4.302 15.810 -5.930 1.00 0.00 H new ATOM 0 HA ARG A 1 4.010 17.468 -8.377 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.905 18.148 -5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 1 6.392 17.525 -6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 1 6.588 19.728 -7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 1 5.753 19.110 -8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.755 20.138 -8.056 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.027 20.010 -6.329 1.00 0.00 H new ATOM 0 HE ARG A 1 4.716 22.247 -8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.754 20.438 -5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 1 6.591 21.822 -4.462 1.00 0.00 H new ATOM 0 HH21 ARG A 1 5.795 24.013 -7.106 1.00 0.00 H new ATOM 0 HH22 ARG A 1 6.614 23.835 -5.550 1.00 0.00 H new ATOM 27 N ASP A 2 6.023 14.973 -7.721 1.00 0.00 N ATOM 28 CA ASP A 2 6.931 14.009 -8.330 1.00 0.00 C ATOM 29 C ASP A 2 6.893 12.678 -7.584 1.00 0.00 C ATOM 30 O ASP A 2 6.321 12.580 -6.499 1.00 0.00 O ATOM 31 CB ASP A 2 8.359 14.558 -8.342 1.00 0.00 C ATOM 32 CG ASP A 2 8.546 15.657 -9.370 1.00 0.00 C ATOM 33 OD1 ASP A 2 8.298 16.834 -9.032 1.00 0.00 O ATOM 34 OD2 ASP A 2 8.943 15.342 -10.512 1.00 0.00 O ATOM 0 H ASP A 2 5.779 14.769 -6.752 1.00 0.00 H new ATOM 0 HA ASP A 2 6.605 13.840 -9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.606 14.944 -7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.056 13.746 -8.551 1.00 0.00 H new ATOM 39 N SER A 3 7.507 11.658 -8.174 1.00 0.00 N ATOM 40 CA SER A 3 7.543 10.333 -7.565 1.00 0.00 C ATOM 41 C SER A 3 8.239 10.376 -6.209 1.00 0.00 C ATOM 42 O SER A 3 8.602 11.446 -5.721 1.00 0.00 O ATOM 43 CB SER A 3 8.260 9.344 -8.487 1.00 0.00 C ATOM 44 OG SER A 3 7.930 9.582 -9.845 1.00 0.00 O ATOM 0 H SER A 3 7.986 11.723 -9.072 1.00 0.00 H new ATOM 0 HA SER A 3 6.515 10.002 -7.416 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.338 9.431 -8.351 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.985 8.325 -8.216 1.00 0.00 H new ATOM 0 HG SER A 3 8.402 8.939 -10.414 1.00 0.00 H new ATOM 50 N GLY A 4 8.421 9.207 -5.605 1.00 0.00 N ATOM 51 CA GLY A 4 9.073 9.133 -4.311 1.00 0.00 C ATOM 52 C GLY A 4 10.092 8.013 -4.237 1.00 0.00 C ATOM 53 O GLY A 4 10.061 7.083 -5.041 1.00 0.00 O ATOM 0 H GLY A 4 8.128 8.308 -5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.566 10.082 -4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.320 8.987 -3.536 1.00 0.00 H new ATOM 57 N THR A 5 11.000 8.105 -3.271 1.00 0.00 N ATOM 58 CA THR A 5 12.035 7.094 -3.096 1.00 0.00 C ATOM 59 C THR A 5 12.249 6.782 -1.629 1.00 0.00 C ATOM 60 O THR A 5 11.957 7.596 -0.753 1.00 0.00 O ATOM 61 CB THR A 5 13.346 7.556 -3.731 1.00 0.00 C ATOM 62 OG1 THR A 5 13.112 8.133 -5.003 1.00 0.00 O ATOM 63 CG2 THR A 5 14.348 6.438 -3.910 1.00 0.00 C ATOM 0 H THR A 5 11.040 8.870 -2.597 1.00 0.00 H new ATOM 0 HA THR A 5 11.702 6.184 -3.595 1.00 0.00 H new ATOM 0 HB THR A 5 13.762 8.287 -3.038 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.963 8.424 -5.392 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.256 6.833 -4.365 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.588 6.005 -2.939 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.923 5.669 -4.555 1.00 0.00 H new ATOM 71 N VAL A 6 12.737 5.580 -1.375 1.00 0.00 N ATOM 72 CA VAL A 6 12.969 5.122 -0.022 1.00 0.00 C ATOM 73 C VAL A 6 14.072 4.069 0.014 1.00 0.00 C ATOM 74 O VAL A 6 14.160 3.224 -0.874 1.00 0.00 O ATOM 75 CB VAL A 6 11.655 4.553 0.559 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.596 3.061 0.410 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.448 4.971 2.010 1.00 0.00 C ATOM 0 H VAL A 6 12.981 4.901 -2.096 1.00 0.00 H new ATOM 0 HA VAL A 6 13.296 5.965 0.586 1.00 0.00 H new ATOM 0 HB VAL A 6 10.836 4.980 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.660 2.690 0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.651 2.798 -0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.434 2.609 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.513 4.550 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.276 4.604 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.406 6.058 2.073 1.00 0.00 H new ATOM 87 N TRP A 7 14.909 4.120 1.044 1.00 0.00 N ATOM 88 CA TRP A 7 15.999 3.163 1.183 1.00 0.00 C ATOM 89 C TRP A 7 15.811 2.299 2.425 1.00 0.00 C ATOM 90 O TRP A 7 15.414 2.791 3.481 1.00 0.00 O ATOM 91 CB TRP A 7 17.339 3.897 1.252 1.00 0.00 C ATOM 92 CG TRP A 7 17.598 4.765 0.059 1.00 0.00 C ATOM 93 CD1 TRP A 7 17.103 6.017 -0.167 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.413 4.445 -1.074 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.561 6.495 -1.371 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.367 5.548 -1.946 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.178 3.332 -1.435 1.00 0.00 C ATOM 98 CZ2 TRP A 7 19.056 5.569 -3.157 1.00 0.00 C ATOM 99 CZ3 TRP A 7 19.862 3.354 -2.636 1.00 0.00 C ATOM 100 CH2 TRP A 7 19.798 4.467 -3.484 1.00 0.00 C ATOM 0 H TRP A 7 14.854 4.811 1.792 1.00 0.00 H new ATOM 0 HA TRP A 7 15.994 2.511 0.309 1.00 0.00 H new ATOM 0 HB2 TRP A 7 17.364 4.511 2.152 1.00 0.00 H new ATOM 0 HB3 TRP A 7 18.142 3.166 1.343 1.00 0.00 H new ATOM 0 HD1 TRP A 7 16.447 6.553 0.503 1.00 0.00 H new ATOM 0 HE1 TRP A 7 17.337 7.406 -1.771 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.234 2.470 -0.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 19.006 6.425 -3.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.455 2.499 -2.925 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.345 4.455 -4.415 1.00 0.00 H new ATOM 111 N GLY A 8 16.106 1.009 2.294 1.00 0.00 N ATOM 112 CA GLY A 8 15.966 0.100 3.424 1.00 0.00 C ATOM 113 C GLY A 8 16.964 -1.038 3.363 1.00 0.00 C ATOM 114 O GLY A 8 17.723 -1.145 2.403 1.00 0.00 O ATOM 0 H GLY A 8 16.438 0.576 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.103 0.653 4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.954 -0.305 3.440 1.00 0.00 H new ATOM 118 N ALA A 9 16.974 -1.893 4.383 1.00 0.00 N ATOM 119 CA ALA A 9 17.897 -3.017 4.416 1.00 0.00 C ATOM 120 C ALA A 9 17.149 -4.340 4.418 1.00 0.00 C ATOM 121 O ALA A 9 16.176 -4.517 5.150 1.00 0.00 O ATOM 122 CB ALA A 9 18.808 -2.926 5.629 1.00 0.00 C ATOM 0 H ALA A 9 16.356 -1.827 5.192 1.00 0.00 H new ATOM 0 HA ALA A 9 18.509 -2.973 3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.491 -3.776 5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.381 -2.000 5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.206 -2.937 6.538 1.00 0.00 H new ATOM 128 N LEU A 10 17.615 -5.272 3.598 1.00 0.00 N ATOM 129 CA LEU A 10 16.994 -6.588 3.504 1.00 0.00 C ATOM 130 C LEU A 10 16.894 -7.235 4.877 1.00 0.00 C ATOM 131 O LEU A 10 17.870 -7.286 5.624 1.00 0.00 O ATOM 132 CB LEU A 10 17.800 -7.482 2.560 1.00 0.00 C ATOM 133 CG LEU A 10 17.084 -8.744 2.067 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.769 -8.632 0.584 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.932 -9.976 2.340 1.00 0.00 C ATOM 0 H LEU A 10 18.422 -5.142 2.987 1.00 0.00 H new ATOM 0 HA LEU A 10 15.986 -6.466 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.094 -6.891 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.717 -7.782 3.068 1.00 0.00 H new ATOM 0 HG LEU A 10 16.145 -8.844 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 10 16.261 -9.537 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.124 -7.770 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.696 -8.509 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.409 -10.864 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.886 -9.884 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.110 -10.065 3.412 1.00 0.00 H new ATOM 147 N GLY A 11 15.707 -7.725 5.202 1.00 0.00 N ATOM 148 CA GLY A 11 15.498 -8.359 6.486 1.00 0.00 C ATOM 149 C GLY A 11 14.982 -7.398 7.542 1.00 0.00 C ATOM 150 O GLY A 11 14.604 -7.820 8.633 1.00 0.00 O ATOM 0 H GLY A 11 14.885 -7.695 4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.789 -9.178 6.370 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.437 -8.796 6.827 1.00 0.00 H new ATOM 154 N HIS A 12 14.965 -6.101 7.227 1.00 0.00 N ATOM 155 CA HIS A 12 14.493 -5.104 8.170 1.00 0.00 C ATOM 156 C HIS A 12 13.117 -4.589 7.735 1.00 0.00 C ATOM 157 O HIS A 12 12.638 -4.924 6.649 1.00 0.00 O ATOM 158 CB HIS A 12 15.545 -3.990 8.286 1.00 0.00 C ATOM 159 CG HIS A 12 15.018 -2.596 8.284 1.00 0.00 C ATOM 160 ND1 HIS A 12 14.669 -1.910 9.427 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.835 -1.745 7.261 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.294 -0.685 9.101 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.388 -0.558 7.790 1.00 0.00 N ATOM 0 H HIS A 12 15.272 -5.725 6.330 1.00 0.00 H new ATOM 0 HA HIS A 12 14.364 -5.536 9.162 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.109 -4.144 9.206 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.248 -4.093 7.460 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.007 -1.955 6.216 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.967 0.081 9.789 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.165 0.283 7.257 1.00 0.00 H new ATOM 172 N GLY A 13 12.474 -3.808 8.597 1.00 0.00 N ATOM 173 CA GLY A 13 11.146 -3.296 8.289 1.00 0.00 C ATOM 174 C GLY A 13 11.166 -2.003 7.497 1.00 0.00 C ATOM 175 O GLY A 13 12.221 -1.427 7.264 1.00 0.00 O ATOM 0 H GLY A 13 12.846 -3.519 9.502 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.596 -4.050 7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.602 -3.134 9.220 1.00 0.00 H new ATOM 179 N ILE A 14 9.989 -1.546 7.085 1.00 0.00 N ATOM 180 CA ILE A 14 9.871 -0.311 6.317 1.00 0.00 C ATOM 181 C ILE A 14 8.410 -0.031 5.969 1.00 0.00 C ATOM 182 O ILE A 14 7.638 -0.955 5.718 1.00 0.00 O ATOM 183 CB ILE A 14 10.723 -0.363 5.025 1.00 0.00 C ATOM 184 CG1 ILE A 14 11.195 1.041 4.641 1.00 0.00 C ATOM 185 CG2 ILE A 14 9.951 -0.999 3.878 1.00 0.00 C ATOM 186 CD1 ILE A 14 12.380 1.522 5.450 1.00 0.00 C ATOM 0 H ILE A 14 9.101 -2.013 7.270 1.00 0.00 H new ATOM 0 HA ILE A 14 10.249 0.499 6.940 1.00 0.00 H new ATOM 0 HB ILE A 14 11.596 -0.985 5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.459 1.050 3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 14 10.369 1.741 4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.577 -1.020 2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.670 -2.017 4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.052 -0.416 3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.660 2.524 5.124 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.114 1.545 6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.221 0.844 5.303 1.00 0.00 H new ATOM 198 N ASP A 15 8.034 1.244 5.967 1.00 0.00 N ATOM 199 CA ASP A 15 6.662 1.627 5.660 1.00 0.00 C ATOM 200 C ASP A 15 6.594 2.555 4.450 1.00 0.00 C ATOM 201 O ASP A 15 7.299 3.562 4.384 1.00 0.00 O ATOM 202 CB ASP A 15 6.020 2.308 6.871 1.00 0.00 C ATOM 203 CG ASP A 15 4.555 2.625 6.648 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.262 3.661 6.015 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.700 1.838 7.106 1.00 0.00 O ATOM 0 H ASP A 15 8.657 2.025 6.173 1.00 0.00 H new ATOM 0 HA ASP A 15 6.112 0.717 5.419 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.120 1.662 7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.558 3.229 7.094 1.00 0.00 H new ATOM 210 N LEU A 16 5.725 2.213 3.504 1.00 0.00 N ATOM 211 CA LEU A 16 5.541 3.017 2.298 1.00 0.00 C ATOM 212 C LEU A 16 4.428 4.037 2.524 1.00 0.00 C ATOM 213 O LEU A 16 3.247 3.689 2.525 1.00 0.00 O ATOM 214 CB LEU A 16 5.192 2.112 1.102 1.00 0.00 C ATOM 215 CG LEU A 16 6.298 1.859 0.051 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.637 2.473 0.443 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.462 0.365 -0.188 1.00 0.00 C ATOM 0 H LEU A 16 5.135 1.382 3.549 1.00 0.00 H new ATOM 0 HA LEU A 16 6.470 3.543 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.873 1.146 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.334 2.548 0.589 1.00 0.00 H new ATOM 0 HG LEU A 16 5.978 2.349 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.374 2.263 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.524 3.551 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.971 2.044 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.243 0.199 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.738 -0.125 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.522 -0.051 -0.552 1.00 0.00 H new ATOM 229 N ASP A 17 4.811 5.293 2.731 1.00 0.00 N ATOM 230 CA ASP A 17 3.839 6.352 2.977 1.00 0.00 C ATOM 231 C ASP A 17 3.313 6.955 1.678 1.00 0.00 C ATOM 232 O ASP A 17 4.079 7.436 0.842 1.00 0.00 O ATOM 233 CB ASP A 17 4.452 7.449 3.845 1.00 0.00 C ATOM 234 CG ASP A 17 4.727 6.979 5.261 1.00 0.00 C ATOM 235 OD1 ASP A 17 3.959 6.132 5.766 1.00 0.00 O ATOM 236 OD2 ASP A 17 5.709 7.459 5.865 1.00 0.00 O ATOM 0 H ASP A 17 5.783 5.601 2.733 1.00 0.00 H new ATOM 0 HA ASP A 17 2.997 5.901 3.503 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.382 7.790 3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.778 8.305 3.874 1.00 0.00 H new ATOM 241 N ILE A 18 1.995 6.926 1.530 1.00 0.00 N ATOM 242 CA ILE A 18 1.327 7.466 0.352 1.00 0.00 C ATOM 243 C ILE A 18 1.205 8.988 0.435 1.00 0.00 C ATOM 244 O ILE A 18 0.593 9.516 1.363 1.00 0.00 O ATOM 245 CB ILE A 18 -0.081 6.861 0.214 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.012 5.338 0.142 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.797 7.416 -1.013 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.182 4.697 -0.523 1.00 0.00 C ATOM 0 H ILE A 18 1.359 6.528 2.222 1.00 0.00 H new ATOM 0 HA ILE A 18 1.931 7.205 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.665 7.138 1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.914 5.062 -0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.114 4.939 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.790 6.972 -1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.889 8.498 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.224 7.175 -1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.051 3.615 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.085 4.944 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.273 5.068 -1.544 1.00 0.00 H new ATOM 260 N PRO A 19 1.789 9.718 -0.533 1.00 0.00 N ATOM 261 CA PRO A 19 1.736 11.185 -0.548 1.00 0.00 C ATOM 262 C PRO A 19 0.308 11.731 -0.595 1.00 0.00 C ATOM 263 O PRO A 19 -0.502 11.321 -1.427 1.00 0.00 O ATOM 264 CB PRO A 19 2.494 11.562 -1.828 1.00 0.00 C ATOM 265 CG PRO A 19 3.340 10.376 -2.136 1.00 0.00 C ATOM 266 CD PRO A 19 2.553 9.185 -1.677 1.00 0.00 C ATOM 0 HA PRO A 19 2.165 11.607 0.361 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.806 11.779 -2.645 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.103 12.454 -1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.555 10.315 -3.203 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.298 10.434 -1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.896 8.808 -2.461 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.202 8.361 -1.381 1.00 0.00 H new ATOM 274 N ASN A 20 0.024 12.674 0.299 1.00 0.00 N ATOM 275 CA ASN A 20 -1.289 13.319 0.379 1.00 0.00 C ATOM 276 C ASN A 20 -2.455 12.331 0.245 1.00 0.00 C ATOM 277 O ASN A 20 -3.230 12.404 -0.709 1.00 0.00 O ATOM 278 CB ASN A 20 -1.403 14.401 -0.697 1.00 0.00 C ATOM 279 CG ASN A 20 -2.359 15.510 -0.302 1.00 0.00 C ATOM 280 OD1 ASN A 20 -3.291 15.832 -1.038 1.00 0.00 O ATOM 281 ND2 ASN A 20 -2.129 16.102 0.864 1.00 0.00 N ATOM 0 H ASN A 20 0.694 13.014 0.989 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.361 13.762 1.372 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.417 14.825 -0.888 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.741 13.948 -1.629 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.737 16.857 1.182 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.344 15.802 1.442 1.00 0.00 H new ATOM 288 N PHE A 21 -2.587 11.423 1.208 1.00 0.00 N ATOM 289 CA PHE A 21 -3.665 10.447 1.197 1.00 0.00 C ATOM 290 C PHE A 21 -4.191 10.213 2.612 1.00 0.00 C ATOM 291 O PHE A 21 -3.452 10.341 3.588 1.00 0.00 O ATOM 292 CB PHE A 21 -3.169 9.142 0.583 1.00 0.00 C ATOM 293 CG PHE A 21 -3.956 7.932 0.986 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.272 7.785 0.594 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.378 6.952 1.768 1.00 0.00 C ATOM 296 CE1 PHE A 21 -6.002 6.674 0.977 1.00 0.00 C ATOM 297 CE2 PHE A 21 -4.097 5.838 2.155 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.412 5.699 1.758 1.00 0.00 C ATOM 0 H PHE A 21 -1.957 11.345 2.007 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.487 10.831 0.593 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.195 9.232 -0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.127 8.994 0.866 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.736 8.545 -0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.350 7.058 2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.031 6.569 0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.632 5.078 2.766 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.978 4.830 2.057 1.00 0.00 H new ATOM 308 N GLN A 22 -5.471 9.871 2.715 1.00 0.00 N ATOM 309 CA GLN A 22 -6.094 9.620 4.010 1.00 0.00 C ATOM 310 C GLN A 22 -7.080 8.461 3.923 1.00 0.00 C ATOM 311 O GLN A 22 -8.072 8.529 3.198 1.00 0.00 O ATOM 312 CB GLN A 22 -6.809 10.877 4.507 1.00 0.00 C ATOM 313 CG GLN A 22 -5.922 11.795 5.333 1.00 0.00 C ATOM 314 CD GLN A 22 -6.603 13.104 5.682 1.00 0.00 C ATOM 315 OE1 GLN A 22 -6.851 13.940 4.813 1.00 0.00 O ATOM 316 NE2 GLN A 22 -6.909 13.288 6.961 1.00 0.00 N ATOM 0 H GLN A 22 -6.097 9.761 1.917 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.309 9.353 4.718 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.192 11.430 3.649 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.670 10.582 5.106 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.632 11.284 6.251 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.006 12.002 4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.685 12.568 7.648 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.368 14.149 7.257 1.00 0.00 H new ATOM 325 N MET A 23 -6.800 7.395 4.668 1.00 0.00 N ATOM 326 CA MET A 23 -7.664 6.220 4.674 1.00 0.00 C ATOM 327 C MET A 23 -8.876 6.438 5.574 1.00 0.00 C ATOM 328 O MET A 23 -8.933 5.926 6.693 1.00 0.00 O ATOM 329 CB MET A 23 -6.884 4.988 5.137 1.00 0.00 C ATOM 330 CG MET A 23 -7.498 3.675 4.680 1.00 0.00 C ATOM 331 SD MET A 23 -7.400 2.386 5.937 1.00 0.00 S ATOM 332 CE MET A 23 -6.190 1.289 5.204 1.00 0.00 C ATOM 0 H MET A 23 -5.983 7.321 5.274 1.00 0.00 H new ATOM 0 HA MET A 23 -8.017 6.056 3.656 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.863 5.052 4.762 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.825 4.993 6.225 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.542 3.840 4.415 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.990 3.336 3.777 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.630 0.301 5.069 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.880 1.684 4.236 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.323 1.214 5.860 1.00 0.00 H new ATOM 342 N THR A 24 -9.844 7.201 5.078 1.00 0.00 N ATOM 343 CA THR A 24 -11.058 7.487 5.834 1.00 0.00 C ATOM 344 C THR A 24 -12.241 6.700 5.280 1.00 0.00 C ATOM 345 O THR A 24 -12.076 5.844 4.410 1.00 0.00 O ATOM 346 CB THR A 24 -11.365 8.986 5.796 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.691 9.397 4.480 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.212 9.844 6.273 1.00 0.00 C ATOM 0 H THR A 24 -9.811 7.633 4.155 1.00 0.00 H new ATOM 0 HA THR A 24 -10.894 7.182 6.868 1.00 0.00 H new ATOM 0 HB THR A 24 -12.207 9.127 6.474 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.886 10.357 4.476 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.495 10.895 6.221 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.967 9.585 7.303 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.343 9.670 5.639 1.00 0.00 H new ATOM 356 N ASP A 25 -13.434 6.993 5.788 1.00 0.00 N ATOM 357 CA ASP A 25 -14.644 6.312 5.342 1.00 0.00 C ATOM 358 C ASP A 25 -14.859 6.506 3.844 1.00 0.00 C ATOM 359 O ASP A 25 -15.405 5.635 3.168 1.00 0.00 O ATOM 360 CB ASP A 25 -15.858 6.829 6.114 1.00 0.00 C ATOM 361 CG ASP A 25 -15.799 6.477 7.588 1.00 0.00 C ATOM 362 OD1 ASP A 25 -15.504 5.306 7.908 1.00 0.00 O ATOM 363 OD2 ASP A 25 -16.049 7.373 8.423 1.00 0.00 O ATOM 0 H ASP A 25 -13.588 7.698 6.509 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.524 5.246 5.537 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.921 7.912 6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.766 6.411 5.680 1.00 0.00 H new ATOM 368 N ASP A 26 -14.424 7.653 3.333 1.00 0.00 N ATOM 369 CA ASP A 26 -14.568 7.961 1.914 1.00 0.00 C ATOM 370 C ASP A 26 -13.800 6.960 1.057 1.00 0.00 C ATOM 371 O ASP A 26 -14.152 6.718 -0.097 1.00 0.00 O ATOM 372 CB ASP A 26 -14.073 9.380 1.627 1.00 0.00 C ATOM 373 CG ASP A 26 -14.901 10.077 0.565 1.00 0.00 C ATOM 374 OD1 ASP A 26 -16.132 10.184 0.746 1.00 0.00 O ATOM 375 OD2 ASP A 26 -14.318 10.515 -0.449 1.00 0.00 O ATOM 0 H ASP A 26 -13.969 8.384 3.879 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.626 7.892 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -14.100 9.964 2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.032 9.341 1.305 1.00 0.00 H new ATOM 380 N ILE A 27 -12.748 6.381 1.628 1.00 0.00 N ATOM 381 CA ILE A 27 -11.931 5.409 0.922 1.00 0.00 C ATOM 382 C ILE A 27 -12.619 4.036 0.913 1.00 0.00 C ATOM 383 O ILE A 27 -13.049 3.555 1.961 1.00 0.00 O ATOM 384 CB ILE A 27 -10.542 5.301 1.587 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.806 6.642 1.493 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.710 4.194 0.954 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.823 7.252 0.108 1.00 0.00 C ATOM 0 H ILE A 27 -12.443 6.572 2.582 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.806 5.743 -0.108 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.689 5.049 2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.257 7.344 2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.771 6.501 1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.738 4.144 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.225 3.240 1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.571 4.404 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.283 8.199 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.345 6.571 -0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.854 7.427 -0.200 1.00 0.00 H new ATOM 399 N ASP A 28 -12.745 3.411 -0.264 1.00 0.00 N ATOM 400 CA ASP A 28 -13.401 2.117 -0.366 1.00 0.00 C ATOM 401 C ASP A 28 -12.424 1.012 -0.750 1.00 0.00 C ATOM 402 O ASP A 28 -12.475 -0.079 -0.185 1.00 0.00 O ATOM 403 CB ASP A 28 -14.535 2.181 -1.388 1.00 0.00 C ATOM 404 CG ASP A 28 -15.765 1.419 -0.936 1.00 0.00 C ATOM 405 OD1 ASP A 28 -16.264 1.702 0.174 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.227 0.537 -1.690 1.00 0.00 O ATOM 0 H ASP A 28 -12.401 3.783 -1.149 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.806 1.878 0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.802 3.223 -1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.188 1.774 -2.338 1.00 0.00 H new ATOM 411 N GLU A 29 -11.550 1.272 -1.724 1.00 0.00 N ATOM 412 CA GLU A 29 -10.608 0.241 -2.155 1.00 0.00 C ATOM 413 C GLU A 29 -9.172 0.762 -2.263 1.00 0.00 C ATOM 414 O GLU A 29 -8.872 1.619 -3.095 1.00 0.00 O ATOM 415 CB GLU A 29 -11.057 -0.338 -3.500 1.00 0.00 C ATOM 416 CG GLU A 29 -10.174 -1.465 -4.012 1.00 0.00 C ATOM 417 CD GLU A 29 -10.602 -1.964 -5.379 1.00 0.00 C ATOM 418 OE1 GLU A 29 -11.276 -1.202 -6.104 1.00 0.00 O ATOM 419 OE2 GLU A 29 -10.263 -3.116 -5.723 1.00 0.00 O ATOM 0 H GLU A 29 -11.475 2.162 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.608 -0.538 -1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.079 -0.706 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.075 0.461 -4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.142 -1.119 -4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.199 -2.292 -3.303 1.00 0.00 H new ATOM 426 N VAL A 30 -8.279 0.210 -1.433 1.00 0.00 N ATOM 427 CA VAL A 30 -6.866 0.589 -1.454 1.00 0.00 C ATOM 428 C VAL A 30 -6.041 -0.540 -2.069 1.00 0.00 C ATOM 429 O VAL A 30 -5.976 -1.638 -1.517 1.00 0.00 O ATOM 430 CB VAL A 30 -6.318 0.896 -0.041 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.041 1.717 -0.133 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.364 1.615 0.799 1.00 0.00 C ATOM 0 H VAL A 30 -8.512 -0.500 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.785 1.497 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.083 -0.049 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.669 1.924 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.289 1.159 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.249 2.657 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.957 1.821 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.636 2.554 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.249 0.986 0.894 1.00 0.00 H new ATOM 442 N ARG A 31 -5.435 -0.281 -3.225 1.00 0.00 N ATOM 443 CA ARG A 31 -4.645 -1.305 -3.909 1.00 0.00 C ATOM 444 C ARG A 31 -3.155 -0.975 -3.924 1.00 0.00 C ATOM 445 O ARG A 31 -2.750 0.121 -4.305 1.00 0.00 O ATOM 446 CB ARG A 31 -5.141 -1.495 -5.348 1.00 0.00 C ATOM 447 CG ARG A 31 -6.607 -1.140 -5.548 1.00 0.00 C ATOM 448 CD ARG A 31 -7.221 -1.930 -6.692 1.00 0.00 C ATOM 449 NE ARG A 31 -6.447 -1.799 -7.925 1.00 0.00 N ATOM 450 CZ ARG A 31 -6.931 -2.069 -9.136 1.00 0.00 C ATOM 451 NH1 ARG A 31 -8.182 -2.488 -9.281 1.00 0.00 N ATOM 452 NH2 ARG A 31 -6.160 -1.922 -10.205 1.00 0.00 N ATOM 0 H ARG A 31 -5.474 0.618 -3.705 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.777 -2.230 -3.348 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.535 -0.882 -6.015 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.986 -2.533 -5.641 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.159 -1.339 -4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.700 -0.073 -5.751 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.284 -2.982 -6.413 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.240 -1.585 -6.865 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.480 -1.482 -7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.779 -2.605 -8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.547 -2.693 -10.211 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.197 -1.602 -10.099 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.530 -2.129 -11.133 1.00 0.00 H new ATOM 466 N TRP A 32 -2.348 -1.959 -3.535 1.00 0.00 N ATOM 467 CA TRP A 32 -0.897 -1.822 -3.523 1.00 0.00 C ATOM 468 C TRP A 32 -0.303 -2.747 -4.578 1.00 0.00 C ATOM 469 O TRP A 32 0.060 -3.886 -4.283 1.00 0.00 O ATOM 470 CB TRP A 32 -0.331 -2.171 -2.143 1.00 0.00 C ATOM 471 CG TRP A 32 -0.478 -1.077 -1.128 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.539 -0.862 -0.292 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.477 -0.050 -0.834 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.300 0.236 0.501 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.071 0.753 0.184 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.742 0.266 -1.336 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.606 1.853 0.708 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.411 1.358 -0.816 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.842 2.140 0.196 1.00 0.00 C ATOM 0 H TRP A 32 -2.682 -2.870 -3.221 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.634 -0.788 -3.746 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.831 -3.066 -1.772 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.726 -2.416 -2.247 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.434 -1.466 -0.259 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.934 0.605 1.210 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.189 -0.332 -2.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.171 2.457 1.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.389 1.612 -1.197 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.390 2.987 0.581 1.00 0.00 H new ATOM 490 N GLU A 33 -0.237 -2.265 -5.815 1.00 0.00 N ATOM 491 CA GLU A 33 0.278 -3.073 -6.915 1.00 0.00 C ATOM 492 C GLU A 33 1.732 -2.751 -7.235 1.00 0.00 C ATOM 493 O GLU A 33 2.183 -1.616 -7.083 1.00 0.00 O ATOM 494 CB GLU A 33 -0.581 -2.872 -8.164 1.00 0.00 C ATOM 495 CG GLU A 33 -2.052 -3.191 -7.948 1.00 0.00 C ATOM 496 CD GLU A 33 -2.843 -3.198 -9.241 1.00 0.00 C ATOM 497 OE1 GLU A 33 -2.221 -3.311 -10.317 1.00 0.00 O ATOM 498 OE2 GLU A 33 -4.086 -3.092 -9.177 1.00 0.00 O ATOM 0 H GLU A 33 -0.532 -1.325 -6.080 1.00 0.00 H new ATOM 0 HA GLU A 33 0.232 -4.115 -6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.487 -1.838 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.195 -3.502 -8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.142 -4.165 -7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.483 -2.457 -7.267 1.00 0.00 H new ATOM 505 N ARG A 34 2.449 -3.769 -7.696 1.00 0.00 N ATOM 506 CA ARG A 34 3.850 -3.630 -8.068 1.00 0.00 C ATOM 507 C ARG A 34 4.119 -4.411 -9.348 1.00 0.00 C ATOM 508 O ARG A 34 4.001 -5.638 -9.372 1.00 0.00 O ATOM 509 CB ARG A 34 4.757 -4.132 -6.943 1.00 0.00 C ATOM 510 CG ARG A 34 6.153 -3.531 -6.974 1.00 0.00 C ATOM 511 CD ARG A 34 7.224 -4.592 -6.779 1.00 0.00 C ATOM 512 NE ARG A 34 7.849 -4.978 -8.042 1.00 0.00 N ATOM 513 CZ ARG A 34 8.538 -6.103 -8.215 1.00 0.00 C ATOM 514 NH1 ARG A 34 8.694 -6.956 -7.210 1.00 0.00 N ATOM 515 NH2 ARG A 34 9.075 -6.377 -9.396 1.00 0.00 N ATOM 0 H ARG A 34 2.077 -4.710 -7.822 1.00 0.00 H new ATOM 0 HA ARG A 34 4.067 -2.575 -8.238 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.293 -3.903 -5.984 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.836 -5.217 -7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.311 -3.025 -7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.242 -2.776 -6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.987 -4.216 -6.097 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.782 -5.471 -6.310 1.00 0.00 H new ATOM 0 HE ARG A 34 7.751 -4.348 -8.838 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.285 -6.751 -6.299 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.223 -7.817 -7.349 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.960 -5.725 -10.172 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.603 -7.240 -9.528 1.00 0.00 H new ATOM 529 N GLY A 35 4.458 -3.699 -10.419 1.00 0.00 N ATOM 530 CA GLY A 35 4.712 -4.360 -11.684 1.00 0.00 C ATOM 531 C GLY A 35 3.513 -5.154 -12.154 1.00 0.00 C ATOM 532 O GLY A 35 2.442 -4.594 -12.396 1.00 0.00 O ATOM 0 H GLY A 35 4.560 -2.684 -10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.973 -3.616 -12.437 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.570 -5.024 -11.581 1.00 0.00 H new ATOM 536 N SER A 36 3.690 -6.459 -12.272 1.00 0.00 N ATOM 537 CA SER A 36 2.614 -7.343 -12.705 1.00 0.00 C ATOM 538 C SER A 36 2.217 -8.299 -11.582 1.00 0.00 C ATOM 539 O SER A 36 2.004 -9.489 -11.814 1.00 0.00 O ATOM 540 CB SER A 36 3.042 -8.136 -13.941 1.00 0.00 C ATOM 541 OG SER A 36 3.580 -7.281 -14.935 1.00 0.00 O ATOM 0 H SER A 36 4.571 -6.934 -12.074 1.00 0.00 H new ATOM 0 HA SER A 36 1.750 -6.729 -12.961 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.784 -8.883 -13.659 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.185 -8.675 -14.346 1.00 0.00 H new ATOM 0 HG SER A 36 3.847 -7.812 -15.714 1.00 0.00 H new ATOM 547 N THR A 37 2.130 -7.772 -10.362 1.00 0.00 N ATOM 548 CA THR A 37 1.769 -8.584 -9.204 1.00 0.00 C ATOM 549 C THR A 37 1.080 -7.743 -8.132 1.00 0.00 C ATOM 550 O THR A 37 1.221 -6.520 -8.104 1.00 0.00 O ATOM 551 CB THR A 37 3.025 -9.239 -8.622 1.00 0.00 C ATOM 552 OG1 THR A 37 3.644 -10.075 -9.581 1.00 0.00 O ATOM 553 CG2 THR A 37 2.759 -10.075 -7.387 1.00 0.00 C ATOM 0 H THR A 37 2.304 -6.789 -10.151 1.00 0.00 H new ATOM 0 HA THR A 37 1.071 -9.354 -9.531 1.00 0.00 H new ATOM 0 HB THR A 37 3.673 -8.409 -8.340 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.445 -10.483 -9.191 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.695 -10.507 -7.032 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.330 -9.446 -6.607 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.060 -10.875 -7.633 1.00 0.00 H new ATOM 561 N LEU A 38 0.353 -8.409 -7.236 1.00 0.00 N ATOM 562 CA LEU A 38 -0.334 -7.720 -6.147 1.00 0.00 C ATOM 563 C LEU A 38 0.440 -7.906 -4.852 1.00 0.00 C ATOM 564 O LEU A 38 1.043 -8.955 -4.625 1.00 0.00 O ATOM 565 CB LEU A 38 -1.761 -8.248 -5.948 1.00 0.00 C ATOM 566 CG LEU A 38 -2.889 -7.384 -6.519 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.222 -8.087 -6.324 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.904 -6.016 -5.852 1.00 0.00 C ATOM 0 H LEU A 38 0.225 -9.421 -7.243 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.390 -6.664 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.826 -9.238 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.934 -8.374 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.718 -7.239 -7.586 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.022 -7.469 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.206 -9.047 -6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.395 -8.250 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.712 -5.416 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.059 -6.136 -4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.952 -5.515 -6.027 1.00 0.00 H new ATOM 580 N VAL A 39 0.413 -6.895 -4.002 1.00 0.00 N ATOM 581 CA VAL A 39 1.102 -6.963 -2.729 1.00 0.00 C ATOM 582 C VAL A 39 0.103 -6.856 -1.582 1.00 0.00 C ATOM 583 O VAL A 39 0.191 -7.588 -0.595 1.00 0.00 O ATOM 584 CB VAL A 39 2.167 -5.851 -2.617 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.682 -5.734 -1.192 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.315 -6.123 -3.585 1.00 0.00 C ATOM 0 H VAL A 39 -0.079 -6.018 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 39 1.609 -7.926 -2.667 1.00 0.00 H new ATOM 0 HB VAL A 39 1.703 -4.901 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.431 -4.944 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.854 -5.494 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.131 -6.680 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.060 -5.332 -3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.774 -7.082 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.932 -6.149 -4.605 1.00 0.00 H new ATOM 596 N ALA A 40 -0.853 -5.946 -1.729 1.00 0.00 N ATOM 597 CA ALA A 40 -1.879 -5.749 -0.712 1.00 0.00 C ATOM 598 C ALA A 40 -3.042 -4.918 -1.245 1.00 0.00 C ATOM 599 O ALA A 40 -2.894 -3.728 -1.520 1.00 0.00 O ATOM 600 CB ALA A 40 -1.284 -5.093 0.522 1.00 0.00 C ATOM 0 H ALA A 40 -0.939 -5.334 -2.541 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.267 -6.730 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.063 -4.953 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.499 -5.730 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.862 -4.125 0.252 1.00 0.00 H new ATOM 606 N GLU A 41 -4.201 -5.554 -1.383 1.00 0.00 N ATOM 607 CA GLU A 41 -5.390 -4.872 -1.878 1.00 0.00 C ATOM 608 C GLU A 41 -6.516 -4.921 -0.853 1.00 0.00 C ATOM 609 O GLU A 41 -7.062 -5.985 -0.562 1.00 0.00 O ATOM 610 CB GLU A 41 -5.853 -5.490 -3.199 1.00 0.00 C ATOM 611 CG GLU A 41 -5.839 -4.507 -4.354 1.00 0.00 C ATOM 612 CD GLU A 41 -6.087 -5.172 -5.693 1.00 0.00 C ATOM 613 OE1 GLU A 41 -6.823 -6.180 -5.728 1.00 0.00 O ATOM 614 OE2 GLU A 41 -5.547 -4.684 -6.708 1.00 0.00 O ATOM 0 H GLU A 41 -4.341 -6.539 -1.159 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.129 -3.828 -2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.210 -6.336 -3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.863 -5.882 -3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.599 -3.744 -4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.876 -3.997 -4.379 1.00 0.00 H new ATOM 621 N PHE A 42 -6.856 -3.758 -0.311 1.00 0.00 N ATOM 622 CA PHE A 42 -7.916 -3.656 0.681 1.00 0.00 C ATOM 623 C PHE A 42 -9.196 -3.116 0.051 1.00 0.00 C ATOM 624 O PHE A 42 -9.163 -2.478 -1.001 1.00 0.00 O ATOM 625 CB PHE A 42 -7.470 -2.752 1.834 1.00 0.00 C ATOM 626 CG PHE A 42 -8.583 -2.378 2.772 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.409 -1.305 2.484 1.00 0.00 C ATOM 628 CD2 PHE A 42 -8.806 -3.101 3.932 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.439 -0.958 3.335 1.00 0.00 C ATOM 630 CE2 PHE A 42 -9.834 -2.758 4.791 1.00 0.00 C ATOM 631 CZ PHE A 42 -10.652 -1.685 4.491 1.00 0.00 C ATOM 0 H PHE A 42 -6.411 -2.870 -0.544 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.122 -4.653 1.071 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.686 -3.257 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.032 -1.843 1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.246 -0.733 1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.170 -3.942 4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.077 -0.120 3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.997 -3.327 5.694 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.457 -1.415 5.159 1.00 0.00 H new ATOM 641 N LYS A 43 -10.323 -3.376 0.703 1.00 0.00 N ATOM 642 CA LYS A 43 -11.616 -2.919 0.211 1.00 0.00 C ATOM 643 C LYS A 43 -12.563 -2.618 1.367 1.00 0.00 C ATOM 644 O LYS A 43 -12.247 -2.878 2.528 1.00 0.00 O ATOM 645 CB LYS A 43 -12.232 -3.972 -0.712 1.00 0.00 C ATOM 646 CG LYS A 43 -12.576 -3.443 -2.095 1.00 0.00 C ATOM 647 CD LYS A 43 -12.190 -4.430 -3.185 1.00 0.00 C ATOM 648 CE LYS A 43 -13.385 -5.246 -3.649 1.00 0.00 C ATOM 649 NZ LYS A 43 -13.301 -5.581 -5.096 1.00 0.00 N ATOM 0 H LYS A 43 -10.367 -3.902 1.576 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.460 -1.999 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.537 -4.805 -0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.136 -4.366 -0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.645 -3.238 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.061 -2.497 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.766 -3.890 -4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.414 -5.099 -2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.445 -6.165 -3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.302 -4.688 -3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.109 -6.180 -5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.321 -4.705 -5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.415 -6.092 -5.283 1.00 0.00 H new ATOM 663 N ARG A 44 -13.733 -2.084 1.038 1.00 0.00 N ATOM 664 CA ARG A 44 -14.736 -1.762 2.029 1.00 0.00 C ATOM 665 C ARG A 44 -15.783 -2.854 2.072 1.00 0.00 C ATOM 666 O ARG A 44 -16.617 -2.989 1.177 1.00 0.00 O ATOM 667 CB ARG A 44 -15.398 -0.425 1.728 1.00 0.00 C ATOM 668 CG ARG A 44 -15.837 0.345 2.966 1.00 0.00 C ATOM 669 CD ARG A 44 -14.705 0.517 3.968 1.00 0.00 C ATOM 670 NE ARG A 44 -13.504 1.085 3.357 1.00 0.00 N ATOM 671 CZ ARG A 44 -12.524 1.662 4.050 1.00 0.00 C ATOM 672 NH1 ARG A 44 -12.599 1.751 5.372 1.00 0.00 N ATOM 673 NH2 ARG A 44 -11.465 2.153 3.420 1.00 0.00 N ATOM 0 H ARG A 44 -14.006 -1.865 0.080 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.244 -1.687 2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.704 0.192 1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.267 -0.597 1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.209 1.326 2.669 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.665 -0.179 3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.037 1.163 4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.463 -0.450 4.409 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.412 1.037 2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.411 1.376 5.863 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.845 2.194 5.897 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.401 2.089 2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.715 2.595 3.952 1.00 0.00 H new ATOM 687 N LYS A 45 -15.702 -3.637 3.118 1.00 0.00 N ATOM 688 CA LYS A 45 -16.608 -4.763 3.345 1.00 0.00 C ATOM 689 C LYS A 45 -16.146 -5.991 2.570 1.00 0.00 C ATOM 690 O LYS A 45 -16.066 -7.090 3.119 1.00 0.00 O ATOM 691 CB LYS A 45 -18.044 -4.402 2.951 1.00 0.00 C ATOM 692 CG LYS A 45 -19.095 -4.988 3.880 1.00 0.00 C ATOM 693 CD LYS A 45 -18.972 -6.501 3.976 1.00 0.00 C ATOM 694 CE LYS A 45 -19.947 -7.075 4.991 1.00 0.00 C ATOM 695 NZ LYS A 45 -19.506 -8.407 5.491 1.00 0.00 N ATOM 0 H LYS A 45 -15.002 -3.520 3.851 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.591 -4.994 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.147 -3.317 2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.232 -4.752 1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -18.990 -4.550 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -20.089 -4.725 3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.159 -6.945 2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.953 -6.767 4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -20.045 -6.386 5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -20.933 -7.166 4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.197 -8.765 6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -19.437 -9.071 4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.576 -8.316 5.948 1.00 0.00 H new ATOM 709 N MET A 46 -15.836 -5.798 1.291 1.00 0.00 N ATOM 710 CA MET A 46 -15.374 -6.898 0.445 1.00 0.00 C ATOM 711 C MET A 46 -14.135 -7.558 1.045 1.00 0.00 C ATOM 712 O MET A 46 -13.639 -7.134 2.089 1.00 0.00 O ATOM 713 CB MET A 46 -15.068 -6.400 -0.971 1.00 0.00 C ATOM 714 CG MET A 46 -16.290 -6.353 -1.877 1.00 0.00 C ATOM 715 SD MET A 46 -15.982 -7.077 -3.500 1.00 0.00 S ATOM 716 CE MET A 46 -17.079 -6.096 -4.522 1.00 0.00 C ATOM 0 H MET A 46 -15.895 -4.896 0.818 1.00 0.00 H new ATOM 0 HA MET A 46 -16.172 -7.638 0.391 1.00 0.00 H new ATOM 0 HB2 MET A 46 -14.632 -5.403 -0.910 1.00 0.00 H new ATOM 0 HB3 MET A 46 -14.317 -7.049 -1.421 1.00 0.00 H new ATOM 0 HG2 MET A 46 -17.113 -6.883 -1.398 1.00 0.00 H new ATOM 0 HG3 MET A 46 -16.606 -5.317 -2.000 1.00 0.00 H new ATOM 0 HE1 MET A 46 -17.002 -6.425 -5.558 1.00 0.00 H new ATOM 0 HE2 MET A 46 -18.106 -6.220 -4.177 1.00 0.00 H new ATOM 0 HE3 MET A 46 -16.798 -5.045 -4.453 1.00 0.00 H new ATOM 726 N LYS A 47 -13.641 -8.600 0.383 1.00 0.00 N ATOM 727 CA LYS A 47 -12.462 -9.317 0.859 1.00 0.00 C ATOM 728 C LYS A 47 -11.183 -8.752 0.239 1.00 0.00 C ATOM 729 O LYS A 47 -11.114 -8.540 -0.972 1.00 0.00 O ATOM 730 CB LYS A 47 -12.582 -10.808 0.536 1.00 0.00 C ATOM 731 CG LYS A 47 -12.805 -11.096 -0.940 1.00 0.00 C ATOM 732 CD LYS A 47 -14.284 -11.244 -1.261 1.00 0.00 C ATOM 733 CE LYS A 47 -14.626 -10.629 -2.608 1.00 0.00 C ATOM 734 NZ LYS A 47 -13.785 -11.186 -3.703 1.00 0.00 N ATOM 0 H LYS A 47 -14.037 -8.966 -0.483 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.405 -9.187 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.675 -11.316 0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.408 -11.230 1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.381 -10.289 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.278 -12.009 -1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.553 -12.300 -1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.876 -10.766 -0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.678 -10.807 -2.832 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.489 -9.549 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.148 -10.858 -4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.803 -10.865 -3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.816 -12.225 -3.670 1.00 0.00 H new ATOM 748 N PRO A 48 -10.150 -8.496 1.064 1.00 0.00 N ATOM 749 CA PRO A 48 -8.877 -7.953 0.593 1.00 0.00 C ATOM 750 C PRO A 48 -7.935 -9.037 0.074 1.00 0.00 C ATOM 751 O PRO A 48 -8.303 -10.209 -0.001 1.00 0.00 O ATOM 752 CB PRO A 48 -8.306 -7.306 1.850 1.00 0.00 C ATOM 753 CG PRO A 48 -8.808 -8.156 2.968 1.00 0.00 C ATOM 754 CD PRO A 48 -10.141 -8.711 2.525 1.00 0.00 C ATOM 0 HA PRO A 48 -9.003 -7.269 -0.247 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.216 -7.285 1.826 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.643 -6.274 1.954 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.107 -8.961 3.187 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.916 -7.571 3.881 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.236 -9.768 2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.969 -8.194 3.010 1.00 0.00 H new ATOM 762 N PHE A 49 -6.719 -8.635 -0.283 1.00 0.00 N ATOM 763 CA PHE A 49 -5.722 -9.569 -0.795 1.00 0.00 C ATOM 764 C PHE A 49 -4.339 -9.274 -0.226 1.00 0.00 C ATOM 765 O PHE A 49 -3.688 -8.311 -0.629 1.00 0.00 O ATOM 766 CB PHE A 49 -5.665 -9.505 -2.323 1.00 0.00 C ATOM 767 CG PHE A 49 -4.538 -10.314 -2.911 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.678 -11.677 -3.112 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.335 -9.711 -3.249 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.641 -12.425 -3.639 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.297 -10.454 -3.777 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.449 -11.812 -3.972 1.00 0.00 C ATOM 0 H PHE A 49 -6.400 -7.668 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.020 -10.569 -0.482 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.611 -9.862 -2.730 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.557 -8.465 -2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.608 -12.162 -2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.209 -8.649 -3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.763 -13.487 -3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.366 -9.972 -4.037 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.638 -12.394 -4.384 1.00 0.00 H new ATOM 782 N LEU A 50 -3.888 -10.115 0.695 1.00 0.00 N ATOM 783 CA LEU A 50 -2.577 -9.953 1.296 1.00 0.00 C ATOM 784 C LEU A 50 -1.585 -10.921 0.655 1.00 0.00 C ATOM 785 O LEU A 50 -1.683 -12.134 0.842 1.00 0.00 O ATOM 786 CB LEU A 50 -2.657 -10.201 2.805 1.00 0.00 C ATOM 787 CG LEU A 50 -2.809 -8.944 3.666 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.744 -9.298 5.144 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.740 -7.923 3.312 1.00 0.00 C ATOM 0 H LEU A 50 -4.414 -10.917 1.041 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.233 -8.933 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.500 -10.862 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.757 -10.730 3.118 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.785 -8.503 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.854 -8.392 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.548 -9.992 5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.783 -9.763 5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.864 -7.036 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.754 -8.354 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.835 -7.646 2.262 1.00 0.00 H new ATOM 801 N LYS A 51 -0.636 -10.383 -0.112 1.00 0.00 N ATOM 802 CA LYS A 51 0.364 -11.207 -0.791 1.00 0.00 C ATOM 803 C LYS A 51 0.934 -12.279 0.137 1.00 0.00 C ATOM 804 O LYS A 51 1.001 -13.453 -0.225 1.00 0.00 O ATOM 805 CB LYS A 51 1.494 -10.329 -1.330 1.00 0.00 C ATOM 806 CG LYS A 51 2.590 -11.110 -2.039 1.00 0.00 C ATOM 807 CD LYS A 51 3.512 -10.189 -2.821 1.00 0.00 C ATOM 808 CE LYS A 51 4.155 -10.911 -3.994 1.00 0.00 C ATOM 809 NZ LYS A 51 5.365 -10.198 -4.490 1.00 0.00 N ATOM 0 H LYS A 51 -0.539 -9.381 -0.278 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.131 -11.711 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.076 -9.598 -2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.934 -9.771 -0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.170 -11.672 -1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.141 -11.837 -2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.947 -9.331 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.288 -9.803 -2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.428 -11.922 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.431 -11.004 -4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.774 -10.723 -5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.101 -9.242 -4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.067 -10.131 -3.725 1.00 0.00 H new ATOM 823 N SER A 52 1.344 -11.869 1.334 1.00 0.00 N ATOM 824 CA SER A 52 1.907 -12.802 2.303 1.00 0.00 C ATOM 825 C SER A 52 2.068 -12.150 3.671 1.00 0.00 C ATOM 826 O SER A 52 2.000 -10.927 3.802 1.00 0.00 O ATOM 827 CB SER A 52 3.259 -13.323 1.812 1.00 0.00 C ATOM 828 OG SER A 52 4.249 -12.310 1.873 1.00 0.00 O ATOM 0 H SER A 52 1.297 -10.902 1.654 1.00 0.00 H new ATOM 0 HA SER A 52 1.214 -13.637 2.404 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.567 -14.174 2.420 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.164 -13.681 0.787 1.00 0.00 H new ATOM 0 HG SER A 52 5.104 -12.669 1.556 1.00 0.00 H new ATOM 834 N GLY A 53 2.275 -12.979 4.691 1.00 0.00 N ATOM 835 CA GLY A 53 2.436 -12.465 6.050 1.00 0.00 C ATOM 836 C GLY A 53 3.555 -11.437 6.173 1.00 0.00 C ATOM 837 O GLY A 53 3.662 -10.767 7.200 1.00 0.00 O ATOM 0 H GLY A 53 2.335 -13.994 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.499 -12.013 6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.639 -13.297 6.725 1.00 0.00 H new ATOM 841 N ALA A 54 4.400 -11.307 5.141 1.00 0.00 N ATOM 842 CA ALA A 54 5.502 -10.352 5.182 1.00 0.00 C ATOM 843 C ALA A 54 5.021 -8.912 5.009 1.00 0.00 C ATOM 844 O ALA A 54 5.825 -7.980 5.006 1.00 0.00 O ATOM 845 CB ALA A 54 6.534 -10.694 4.118 1.00 0.00 C ATOM 0 H ALA A 54 4.338 -11.848 4.278 1.00 0.00 H new ATOM 0 HA ALA A 54 5.961 -10.426 6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.351 -9.974 4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.924 -11.696 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.067 -10.658 3.134 1.00 0.00 H new ATOM 851 N PHE A 55 3.712 -8.732 4.870 1.00 0.00 N ATOM 852 CA PHE A 55 3.141 -7.401 4.703 1.00 0.00 C ATOM 853 C PHE A 55 1.959 -7.191 5.638 1.00 0.00 C ATOM 854 O PHE A 55 1.327 -8.147 6.087 1.00 0.00 O ATOM 855 CB PHE A 55 2.688 -7.185 3.260 1.00 0.00 C ATOM 856 CG PHE A 55 3.771 -7.402 2.246 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.763 -6.455 2.069 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.793 -8.546 1.465 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.760 -6.641 1.133 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.788 -8.741 0.526 1.00 0.00 C ATOM 861 CZ PHE A 55 5.774 -7.786 0.360 1.00 0.00 C ATOM 0 H PHE A 55 3.028 -9.489 4.870 1.00 0.00 H new ATOM 0 HA PHE A 55 3.919 -6.678 4.949 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.860 -7.861 3.044 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.305 -6.169 3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.757 -5.558 2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.024 -9.294 1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.528 -5.893 1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.795 -9.637 -0.077 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.554 -7.935 -0.372 1.00 0.00 H new ATOM 871 N GLU A 56 1.660 -5.929 5.916 1.00 0.00 N ATOM 872 CA GLU A 56 0.548 -5.578 6.787 1.00 0.00 C ATOM 873 C GLU A 56 0.027 -4.185 6.453 1.00 0.00 C ATOM 874 O GLU A 56 0.794 -3.220 6.400 1.00 0.00 O ATOM 875 CB GLU A 56 0.976 -5.641 8.253 1.00 0.00 C ATOM 876 CG GLU A 56 1.204 -7.056 8.760 1.00 0.00 C ATOM 877 CD GLU A 56 1.618 -7.093 10.218 1.00 0.00 C ATOM 878 OE1 GLU A 56 2.716 -6.589 10.536 1.00 0.00 O ATOM 879 OE2 GLU A 56 0.846 -7.628 11.041 1.00 0.00 O ATOM 0 H GLU A 56 2.175 -5.129 5.549 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.254 -6.299 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.893 -5.066 8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.213 -5.163 8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.290 -7.636 8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.974 -7.535 8.155 1.00 0.00 H new ATOM 886 N ILE A 57 -1.277 -4.087 6.220 1.00 0.00 N ATOM 887 CA ILE A 57 -1.897 -2.810 5.885 1.00 0.00 C ATOM 888 C ILE A 57 -2.272 -2.029 7.143 1.00 0.00 C ATOM 889 O ILE A 57 -3.282 -2.309 7.790 1.00 0.00 O ATOM 890 CB ILE A 57 -3.148 -3.001 4.996 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.641 -1.649 4.479 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.257 -3.725 5.749 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.332 -1.733 3.134 1.00 0.00 C ATOM 0 H ILE A 57 -1.924 -4.874 6.257 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.159 -2.238 5.324 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.867 -3.621 4.145 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.330 -1.220 5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.794 -0.967 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.122 -3.844 5.097 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.902 -4.707 6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.541 -3.144 6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.656 -0.738 2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.639 -2.133 2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.199 -2.389 3.211 1.00 0.00 H new ATOM 905 N LEU A 58 -1.446 -1.047 7.489 1.00 0.00 N ATOM 906 CA LEU A 58 -1.683 -0.225 8.670 1.00 0.00 C ATOM 907 C LEU A 58 -3.035 0.479 8.583 1.00 0.00 C ATOM 908 O LEU A 58 -3.696 0.449 7.545 1.00 0.00 O ATOM 909 CB LEU A 58 -0.561 0.805 8.831 1.00 0.00 C ATOM 910 CG LEU A 58 0.389 0.554 10.005 1.00 0.00 C ATOM 911 CD1 LEU A 58 0.867 -0.890 10.013 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.573 1.507 9.940 1.00 0.00 C ATOM 0 H LEU A 58 -0.605 -0.801 6.967 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.694 -0.878 9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.023 0.830 7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.009 1.791 8.951 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.155 0.737 10.932 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.541 -1.046 10.856 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.010 -1.557 10.106 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.394 -1.104 9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.240 1.317 10.781 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.114 1.353 9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.215 2.536 9.986 1.00 0.00 H new ATOM 924 N ALA A 59 -3.439 1.110 9.681 1.00 0.00 N ATOM 925 CA ALA A 59 -4.710 1.820 9.732 1.00 0.00 C ATOM 926 C ALA A 59 -4.692 3.049 8.827 1.00 0.00 C ATOM 927 O ALA A 59 -5.644 3.303 8.090 1.00 0.00 O ATOM 928 CB ALA A 59 -5.033 2.222 11.163 1.00 0.00 C ATOM 0 H ALA A 59 -2.903 1.143 10.548 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.487 1.147 9.370 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.985 2.752 11.186 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.099 1.330 11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.246 2.873 11.544 1.00 0.00 H new ATOM 934 N ASN A 60 -3.602 3.807 8.889 1.00 0.00 N ATOM 935 CA ASN A 60 -3.461 5.009 8.075 1.00 0.00 C ATOM 936 C ASN A 60 -3.579 4.682 6.588 1.00 0.00 C ATOM 937 O ASN A 60 -3.944 5.539 5.783 1.00 0.00 O ATOM 938 CB ASN A 60 -2.119 5.689 8.356 1.00 0.00 C ATOM 939 CG ASN A 60 -0.945 4.738 8.221 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.355 4.612 7.149 1.00 0.00 O ATOM 941 ND2 ASN A 60 -0.599 4.066 9.312 1.00 0.00 N ATOM 0 H ASN A 60 -2.804 3.611 9.494 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.268 5.691 8.342 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.987 6.523 7.667 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.131 6.106 9.363 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.185 3.414 9.282 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.117 4.202 10.180 1.00 0.00 H new ATOM 948 N GLY A 61 -3.269 3.440 6.232 1.00 0.00 N ATOM 949 CA GLY A 61 -3.349 3.026 4.843 1.00 0.00 C ATOM 950 C GLY A 61 -1.987 2.931 4.185 1.00 0.00 C ATOM 951 O GLY A 61 -1.843 3.214 2.997 1.00 0.00 O ATOM 0 H GLY A 61 -2.964 2.713 6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.845 2.057 4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.967 3.735 4.291 1.00 0.00 H new ATOM 955 N ASP A 62 -0.984 2.532 4.962 1.00 0.00 N ATOM 956 CA ASP A 62 0.374 2.401 4.448 1.00 0.00 C ATOM 957 C ASP A 62 0.813 0.939 4.431 1.00 0.00 C ATOM 958 O ASP A 62 0.311 0.122 5.201 1.00 0.00 O ATOM 959 CB ASP A 62 1.340 3.235 5.294 1.00 0.00 C ATOM 960 CG ASP A 62 1.283 4.708 4.940 1.00 0.00 C ATOM 961 OD1 ASP A 62 0.980 5.027 3.770 1.00 0.00 O ATOM 962 OD2 ASP A 62 1.541 5.545 5.830 1.00 0.00 O ATOM 0 H ASP A 62 -1.087 2.294 5.949 1.00 0.00 H new ATOM 0 HA ASP A 62 0.389 2.772 3.423 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.100 3.107 6.350 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.356 2.867 5.151 1.00 0.00 H new ATOM 967 N LEU A 63 1.756 0.619 3.549 1.00 0.00 N ATOM 968 CA LEU A 63 2.266 -0.754 3.435 1.00 0.00 C ATOM 969 C LEU A 63 3.339 -1.018 4.487 1.00 0.00 C ATOM 970 O LEU A 63 4.341 -0.307 4.553 1.00 0.00 O ATOM 971 CB LEU A 63 2.851 -0.983 2.040 1.00 0.00 C ATOM 972 CG LEU A 63 3.114 -2.444 1.677 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.820 -3.143 1.291 1.00 0.00 C ATOM 974 CD2 LEU A 63 4.124 -2.530 0.543 1.00 0.00 C ATOM 0 H LEU A 63 2.184 1.284 2.904 1.00 0.00 H new ATOM 0 HA LEU A 63 1.436 -1.442 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.169 -0.559 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.788 -0.431 1.961 1.00 0.00 H new ATOM 0 HG LEU A 63 3.526 -2.948 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.030 -4.182 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.124 -3.108 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.378 -2.641 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.303 -3.576 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.734 -2.010 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.060 -2.066 0.853 1.00 0.00 H new ATOM 986 N LYS A 64 3.128 -2.041 5.312 1.00 0.00 N ATOM 987 CA LYS A 64 4.086 -2.381 6.356 1.00 0.00 C ATOM 988 C LYS A 64 4.863 -3.646 6.002 1.00 0.00 C ATOM 989 O LYS A 64 4.313 -4.749 6.007 1.00 0.00 O ATOM 990 CB LYS A 64 3.369 -2.569 7.694 1.00 0.00 C ATOM 991 CG LYS A 64 4.310 -2.855 8.854 1.00 0.00 C ATOM 992 CD LYS A 64 4.467 -1.643 9.758 1.00 0.00 C ATOM 993 CE LYS A 64 5.904 -1.479 10.225 1.00 0.00 C ATOM 994 NZ LYS A 64 5.993 -0.690 11.485 1.00 0.00 N ATOM 0 H LYS A 64 2.307 -2.645 5.277 1.00 0.00 H new ATOM 0 HA LYS A 64 4.794 -1.557 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.793 -1.671 7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.658 -3.390 7.603 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.929 -3.695 9.434 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.285 -3.151 8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.152 -0.746 9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.812 -1.746 10.623 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.349 -2.462 10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.485 -0.985 9.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.989 -0.601 11.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.591 0.257 11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.461 -1.174 12.236 1.00 0.00 H new ATOM 1008 N ILE A 65 6.149 -3.478 5.706 1.00 0.00 N ATOM 1009 CA ILE A 65 7.015 -4.603 5.361 1.00 0.00 C ATOM 1010 C ILE A 65 7.709 -5.136 6.613 1.00 0.00 C ATOM 1011 O ILE A 65 8.414 -4.399 7.302 1.00 0.00 O ATOM 1012 CB ILE A 65 8.084 -4.202 4.322 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.504 -3.202 3.312 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.622 -5.439 3.616 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.436 -2.880 2.160 1.00 0.00 C ATOM 0 H ILE A 65 6.616 -2.571 5.698 1.00 0.00 H new ATOM 0 HA ILE A 65 6.384 -5.378 4.925 1.00 0.00 H new ATOM 0 HB ILE A 65 8.911 -3.716 4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.573 -3.604 2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.254 -2.278 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.375 -5.143 2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.071 -6.110 4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.806 -5.952 3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.954 -2.167 1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.358 -2.447 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.666 -3.794 1.612 1.00 0.00 H new ATOM 1027 N LYS A 66 7.493 -6.414 6.917 1.00 0.00 N ATOM 1028 CA LYS A 66 8.088 -7.028 8.102 1.00 0.00 C ATOM 1029 C LYS A 66 9.534 -7.445 7.858 1.00 0.00 C ATOM 1030 O LYS A 66 10.377 -7.354 8.750 1.00 0.00 O ATOM 1031 CB LYS A 66 7.264 -8.240 8.544 1.00 0.00 C ATOM 1032 CG LYS A 66 7.818 -8.940 9.773 1.00 0.00 C ATOM 1033 CD LYS A 66 8.711 -10.109 9.393 1.00 0.00 C ATOM 1034 CE LYS A 66 9.793 -10.345 10.434 1.00 0.00 C ATOM 1035 NZ LYS A 66 10.693 -11.470 10.056 1.00 0.00 N ATOM 0 H LYS A 66 6.913 -7.043 6.362 1.00 0.00 H new ATOM 0 HA LYS A 66 8.085 -6.279 8.894 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.243 -7.919 8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.214 -8.954 7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.384 -8.228 10.374 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.995 -9.296 10.392 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.107 -11.010 9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.172 -9.916 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.381 -9.436 10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.329 -10.559 11.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.146 -11.854 10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.138 -12.217 9.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.424 -11.125 9.402 1.00 0.00 H new ATOM 1049 N ASN A 67 9.808 -7.905 6.650 1.00 0.00 N ATOM 1050 CA ASN A 67 11.148 -8.345 6.281 1.00 0.00 C ATOM 1051 C ASN A 67 11.450 -7.993 4.830 1.00 0.00 C ATOM 1052 O ASN A 67 10.907 -8.604 3.909 1.00 0.00 O ATOM 1053 CB ASN A 67 11.281 -9.855 6.494 1.00 0.00 C ATOM 1054 CG ASN A 67 12.661 -10.374 6.139 1.00 0.00 C ATOM 1055 OD1 ASN A 67 13.139 -10.185 5.020 1.00 0.00 O ATOM 1056 ND2 ASN A 67 13.309 -11.033 7.092 1.00 0.00 N ATOM 0 H ASN A 67 9.119 -7.985 5.902 1.00 0.00 H new ATOM 0 HA ASN A 67 11.868 -7.830 6.917 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.065 -10.092 7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.536 -10.371 5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.241 -11.406 6.911 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.875 -11.166 8.005 1.00 0.00 H new ATOM 1063 N LEU A 68 12.313 -7.001 4.628 1.00 0.00 N ATOM 1064 CA LEU A 68 12.675 -6.572 3.291 1.00 0.00 C ATOM 1065 C LEU A 68 13.285 -7.711 2.491 1.00 0.00 C ATOM 1066 O LEU A 68 14.010 -8.548 3.029 1.00 0.00 O ATOM 1067 CB LEU A 68 13.643 -5.399 3.366 1.00 0.00 C ATOM 1068 CG LEU A 68 12.977 -4.070 3.697 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.872 -3.222 4.583 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.620 -3.327 2.425 1.00 0.00 C ATOM 0 H LEU A 68 12.772 -6.482 5.377 1.00 0.00 H new ATOM 0 HA LEU A 68 11.767 -6.255 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.400 -5.613 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.161 -5.307 2.412 1.00 0.00 H new ATOM 0 HG LEU A 68 12.058 -4.274 4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.375 -2.278 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.073 -3.754 5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.812 -3.024 4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.145 -2.379 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.525 -3.136 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.933 -3.930 1.832 1.00 0.00 H new ATOM 1082 N THR A 69 12.978 -7.731 1.203 1.00 0.00 N ATOM 1083 CA THR A 69 13.486 -8.764 0.309 1.00 0.00 C ATOM 1084 C THR A 69 13.798 -8.185 -1.069 1.00 0.00 C ATOM 1085 O THR A 69 13.373 -7.079 -1.400 1.00 0.00 O ATOM 1086 CB THR A 69 12.476 -9.906 0.184 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.162 -9.401 0.024 1.00 0.00 O ATOM 1088 CG2 THR A 69 12.470 -10.829 1.383 1.00 0.00 C ATOM 0 H THR A 69 12.377 -7.042 0.751 1.00 0.00 H new ATOM 0 HA THR A 69 14.410 -9.156 0.735 1.00 0.00 H new ATOM 0 HB THR A 69 12.788 -10.474 -0.693 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.991 -8.714 0.702 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.732 -11.617 1.232 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.457 -11.274 1.504 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.216 -10.261 2.278 1.00 0.00 H new ATOM 1096 N ARG A 70 14.545 -8.941 -1.869 1.00 0.00 N ATOM 1097 CA ARG A 70 14.920 -8.502 -3.213 1.00 0.00 C ATOM 1098 C ARG A 70 13.700 -8.030 -4.002 1.00 0.00 C ATOM 1099 O ARG A 70 13.674 -6.910 -4.511 1.00 0.00 O ATOM 1100 CB ARG A 70 15.618 -9.637 -3.964 1.00 0.00 C ATOM 1101 CG ARG A 70 16.862 -10.156 -3.264 1.00 0.00 C ATOM 1102 CD ARG A 70 17.904 -9.062 -3.095 1.00 0.00 C ATOM 1103 NE ARG A 70 19.265 -9.582 -3.201 1.00 0.00 N ATOM 1104 CZ ARG A 70 19.865 -9.858 -4.358 1.00 0.00 C ATOM 1105 NH1 ARG A 70 19.228 -9.666 -5.506 1.00 0.00 N ATOM 1106 NH2 ARG A 70 21.105 -10.327 -4.365 1.00 0.00 N ATOM 0 H ARG A 70 14.903 -9.861 -1.611 1.00 0.00 H new ATOM 0 HA ARG A 70 15.606 -7.661 -3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.916 -10.460 -4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 70 15.891 -9.288 -4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 70 16.591 -10.556 -2.287 1.00 0.00 H new ATOM 0 HG3 ARG A 70 17.287 -10.979 -3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 70 17.749 -8.294 -3.853 1.00 0.00 H new ATOM 0 HD3 ARG A 70 17.773 -8.583 -2.124 1.00 0.00 H new ATOM 0 HE ARG A 70 19.786 -9.743 -2.339 1.00 0.00 H new ATOM 0 HH11 ARG A 70 18.274 -9.305 -5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 70 19.692 -9.879 -6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 70 21.599 -10.476 -3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 70 21.565 -10.539 -5.250 1.00 0.00 H new ATOM 1120 N ASP A 71 12.696 -8.894 -4.101 1.00 0.00 N ATOM 1121 CA ASP A 71 11.473 -8.570 -4.831 1.00 0.00 C ATOM 1122 C ASP A 71 10.861 -7.258 -4.340 1.00 0.00 C ATOM 1123 O ASP A 71 10.118 -6.602 -5.070 1.00 0.00 O ATOM 1124 CB ASP A 71 10.456 -9.705 -4.690 1.00 0.00 C ATOM 1125 CG ASP A 71 9.177 -9.437 -5.462 1.00 0.00 C ATOM 1126 OD1 ASP A 71 9.224 -9.449 -6.710 1.00 0.00 O ATOM 1127 OD2 ASP A 71 8.131 -9.216 -4.818 1.00 0.00 O ATOM 0 H ASP A 71 12.704 -9.825 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 71 11.735 -8.449 -5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.902 -10.635 -5.043 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.218 -9.846 -3.636 1.00 0.00 H new ATOM 1132 N ASP A 72 11.170 -6.880 -3.102 1.00 0.00 N ATOM 1133 CA ASP A 72 10.639 -5.646 -2.532 1.00 0.00 C ATOM 1134 C ASP A 72 11.315 -4.416 -3.136 1.00 0.00 C ATOM 1135 O ASP A 72 10.836 -3.294 -2.971 1.00 0.00 O ATOM 1136 CB ASP A 72 10.807 -5.640 -1.011 1.00 0.00 C ATOM 1137 CG ASP A 72 10.213 -6.873 -0.357 1.00 0.00 C ATOM 1138 OD1 ASP A 72 9.471 -7.610 -1.041 1.00 0.00 O ATOM 1139 OD2 ASP A 72 10.488 -7.101 0.839 1.00 0.00 O ATOM 0 H ASP A 72 11.781 -7.407 -2.478 1.00 0.00 H new ATOM 0 HA ASP A 72 9.577 -5.603 -2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.867 -5.578 -0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.332 -4.750 -0.600 1.00 0.00 H new ATOM 1144 N SER A 73 12.427 -4.629 -3.837 1.00 0.00 N ATOM 1145 CA SER A 73 13.153 -3.528 -4.460 1.00 0.00 C ATOM 1146 C SER A 73 12.528 -3.163 -5.802 1.00 0.00 C ATOM 1147 O SER A 73 12.517 -3.971 -6.730 1.00 0.00 O ATOM 1148 CB SER A 73 14.625 -3.905 -4.655 1.00 0.00 C ATOM 1149 OG SER A 73 14.828 -4.567 -5.892 1.00 0.00 O ATOM 0 H SER A 73 12.842 -5.549 -3.986 1.00 0.00 H new ATOM 0 HA SER A 73 13.093 -2.662 -3.800 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.241 -3.007 -4.616 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.949 -4.550 -3.838 1.00 0.00 H new ATOM 0 HG SER A 73 13.962 -4.821 -6.273 1.00 0.00 H new ATOM 1155 N GLY A 74 12.002 -1.946 -5.898 1.00 0.00 N ATOM 1156 CA GLY A 74 11.381 -1.510 -7.127 1.00 0.00 C ATOM 1157 C GLY A 74 10.462 -0.317 -6.915 1.00 0.00 C ATOM 1158 O GLY A 74 10.746 0.544 -6.084 1.00 0.00 O ATOM 0 H GLY A 74 11.997 -1.257 -5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.154 -1.247 -7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.811 -2.334 -7.556 1.00 0.00 H new ATOM 1162 N THR A 75 9.362 -0.257 -7.663 1.00 0.00 N ATOM 1163 CA THR A 75 8.415 0.851 -7.541 1.00 0.00 C ATOM 1164 C THR A 75 7.030 0.335 -7.146 1.00 0.00 C ATOM 1165 O THR A 75 6.510 -0.602 -7.752 1.00 0.00 O ATOM 1166 CB THR A 75 8.349 1.618 -8.870 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.394 2.569 -8.947 1.00 0.00 O ATOM 1168 CG2 THR A 75 7.046 2.355 -9.097 1.00 0.00 C ATOM 0 H THR A 75 9.105 -0.959 -8.357 1.00 0.00 H new ATOM 0 HA THR A 75 8.757 1.527 -6.757 1.00 0.00 H new ATOM 0 HB THR A 75 8.441 0.851 -9.639 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.338 3.048 -9.800 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.082 2.870 -10.057 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.221 1.643 -9.098 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.896 3.083 -8.300 1.00 0.00 H new ATOM 1176 N TYR A 76 6.438 0.958 -6.131 1.00 0.00 N ATOM 1177 CA TYR A 76 5.113 0.568 -5.660 1.00 0.00 C ATOM 1178 C TYR A 76 4.064 1.568 -6.135 1.00 0.00 C ATOM 1179 O TYR A 76 4.245 2.779 -6.009 1.00 0.00 O ATOM 1180 CB TYR A 76 5.094 0.474 -4.132 1.00 0.00 C ATOM 1181 CG TYR A 76 5.882 -0.696 -3.582 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.270 -0.671 -3.554 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.237 -1.825 -3.089 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.992 -1.736 -3.053 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.955 -2.894 -2.585 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.332 -2.845 -2.570 1.00 0.00 C ATOM 1187 OH TYR A 76 8.051 -3.907 -2.070 1.00 0.00 O ATOM 0 H TYR A 76 6.855 1.735 -5.619 1.00 0.00 H new ATOM 0 HA TYR A 76 4.877 -0.412 -6.074 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.495 1.398 -3.715 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.060 0.395 -3.795 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.793 0.196 -3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.158 -1.868 -3.100 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.071 -1.700 -3.040 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.439 -3.763 -2.205 1.00 0.00 H new ATOM 0 HH TYR A 76 9.004 -3.680 -2.059 1.00 0.00 H new ATOM 1197 N ASN A 77 2.969 1.056 -6.688 1.00 0.00 N ATOM 1198 CA ASN A 77 1.897 1.908 -7.188 1.00 0.00 C ATOM 1199 C ASN A 77 0.617 1.720 -6.379 1.00 0.00 C ATOM 1200 O ASN A 77 0.099 0.605 -6.271 1.00 0.00 O ATOM 1201 CB ASN A 77 1.627 1.598 -8.664 1.00 0.00 C ATOM 1202 CG ASN A 77 2.059 2.723 -9.584 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.061 3.891 -9.197 1.00 0.00 O ATOM 1204 ND2 ASN A 77 2.427 2.374 -10.812 1.00 0.00 N ATOM 0 H ASN A 77 2.801 0.056 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 77 2.216 2.945 -7.085 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.153 0.684 -8.942 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.563 1.408 -8.803 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.727 3.087 -11.477 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.410 1.393 -11.090 1.00 0.00 H new ATOM 1211 N VAL A 78 0.102 2.815 -5.821 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.126 2.755 -5.038 1.00 0.00 C ATOM 1213 C VAL A 78 -2.301 3.352 -5.805 1.00 0.00 C ATOM 1214 O VAL A 78 -2.224 4.482 -6.297 1.00 0.00 O ATOM 1215 CB VAL A 78 -1.025 3.493 -3.680 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.823 2.739 -2.627 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.422 3.688 -3.233 1.00 0.00 C ATOM 0 H VAL A 78 0.513 3.745 -5.897 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.286 1.694 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.447 4.490 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.750 3.261 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.868 2.685 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.423 1.730 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.440 4.210 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.904 2.716 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.957 4.277 -3.978 1.00 0.00 H new ATOM 1227 N THR A 79 -3.395 2.598 -5.877 1.00 0.00 N ATOM 1228 CA THR A 79 -4.603 3.053 -6.554 1.00 0.00 C ATOM 1229 C THR A 79 -5.738 3.170 -5.544 1.00 0.00 C ATOM 1230 O THR A 79 -6.379 2.179 -5.194 1.00 0.00 O ATOM 1231 CB THR A 79 -4.990 2.094 -7.682 1.00 0.00 C ATOM 1232 OG1 THR A 79 -3.979 1.125 -7.891 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.231 2.797 -9.000 1.00 0.00 C ATOM 0 H THR A 79 -3.468 1.665 -5.472 1.00 0.00 H new ATOM 0 HA THR A 79 -4.411 4.031 -6.996 1.00 0.00 H new ATOM 0 HB THR A 79 -5.919 1.626 -7.358 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.248 0.522 -8.615 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.502 2.063 -9.759 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.041 3.517 -8.886 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.324 3.318 -9.306 1.00 0.00 H new ATOM 1241 N VAL A 80 -5.964 4.386 -5.063 1.00 0.00 N ATOM 1242 CA VAL A 80 -7.003 4.639 -4.073 1.00 0.00 C ATOM 1243 C VAL A 80 -8.347 4.926 -4.736 1.00 0.00 C ATOM 1244 O VAL A 80 -8.470 5.848 -5.543 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.612 5.824 -3.156 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.760 6.214 -2.237 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.370 5.489 -2.337 1.00 0.00 C ATOM 0 H VAL A 80 -5.440 5.215 -5.344 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.101 3.737 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.387 6.676 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.454 7.048 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.621 6.509 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.028 5.364 -1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.114 6.336 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.568 4.615 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.538 5.276 -3.008 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.356 4.133 -4.379 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.693 4.307 -4.931 1.00 0.00 C ATOM 1259 C TYR A 81 -11.676 4.742 -3.855 1.00 0.00 C ATOM 1260 O TYR A 81 -11.521 4.412 -2.675 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.192 3.020 -5.567 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.332 2.524 -6.708 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -10.531 2.986 -8.004 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -9.323 1.593 -6.492 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -9.751 2.534 -9.051 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -8.538 1.137 -7.534 1.00 0.00 C ATOM 1267 CZ TYR A 81 -8.756 1.610 -8.811 1.00 0.00 C ATOM 1268 OH TYR A 81 -7.976 1.158 -9.851 1.00 0.00 O ATOM 0 H TYR A 81 -9.271 3.366 -3.712 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.628 5.083 -5.693 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.245 2.245 -4.802 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.207 3.177 -5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.309 3.711 -8.196 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.150 1.220 -5.494 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -9.920 2.902 -10.052 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.758 0.414 -7.349 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.182 0.708 -9.493 1.00 0.00 H new ATOM 1278 N SER A 82 -12.688 5.475 -4.291 1.00 0.00 N ATOM 1279 CA SER A 82 -13.728 5.986 -3.405 1.00 0.00 C ATOM 1280 C SER A 82 -14.897 5.013 -3.294 1.00 0.00 C ATOM 1281 O SER A 82 -14.960 4.010 -4.005 1.00 0.00 O ATOM 1282 CB SER A 82 -14.228 7.342 -3.905 1.00 0.00 C ATOM 1283 OG SER A 82 -13.630 7.686 -5.142 1.00 0.00 O ATOM 0 H SER A 82 -12.814 5.734 -5.270 1.00 0.00 H new ATOM 0 HA SER A 82 -13.290 6.103 -2.414 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.312 7.313 -4.018 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.005 8.110 -3.164 1.00 0.00 H new ATOM 0 HG SER A 82 -13.969 8.556 -5.439 1.00 0.00 H new ATOM 1289 N THR A 83 -15.823 5.328 -2.394 1.00 0.00 N ATOM 1290 CA THR A 83 -17.003 4.496 -2.179 1.00 0.00 C ATOM 1291 C THR A 83 -17.847 4.390 -3.447 1.00 0.00 C ATOM 1292 O THR A 83 -18.666 3.481 -3.582 1.00 0.00 O ATOM 1293 CB THR A 83 -17.850 5.065 -1.039 1.00 0.00 C ATOM 1294 OG1 THR A 83 -18.024 6.462 -1.193 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.250 4.826 0.329 1.00 0.00 C ATOM 0 H THR A 83 -15.779 6.156 -1.800 1.00 0.00 H new ATOM 0 HA THR A 83 -16.661 3.496 -1.912 1.00 0.00 H new ATOM 0 HB THR A 83 -18.803 4.539 -1.097 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.569 6.807 -0.456 1.00 0.00 H new ATOM 0 HG21 THR A 83 -17.900 5.254 1.092 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.148 3.754 0.499 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.268 5.297 0.383 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.647 5.321 -4.375 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.395 5.324 -5.628 1.00 0.00 C ATOM 1305 C ASN A 84 -17.626 4.604 -6.732 1.00 0.00 C ATOM 1306 O ASN A 84 -17.835 4.867 -7.917 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.702 6.760 -6.058 1.00 0.00 C ATOM 1308 CG ASN A 84 -19.507 7.514 -5.019 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -20.727 7.640 -5.132 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -18.827 8.024 -3.998 1.00 0.00 N ATOM 0 H ASN A 84 -16.974 6.082 -4.283 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.331 4.791 -5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -17.767 7.289 -6.243 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -19.252 6.745 -6.999 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -19.315 8.544 -3.269 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -17.817 7.896 -3.943 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.737 3.695 -6.340 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.956 2.953 -7.314 1.00 0.00 C ATOM 1319 C GLY A 85 -15.163 3.859 -8.238 1.00 0.00 C ATOM 1320 O GLY A 85 -14.803 3.463 -9.346 1.00 0.00 O ATOM 0 H GLY A 85 -16.544 3.459 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.272 2.284 -6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.622 2.328 -7.908 1.00 0.00 H new ATOM 1324 N THR A 86 -14.890 5.077 -7.782 1.00 0.00 N ATOM 1325 CA THR A 86 -14.134 6.038 -8.576 1.00 0.00 C ATOM 1326 C THR A 86 -12.677 6.081 -8.128 1.00 0.00 C ATOM 1327 O THR A 86 -12.295 5.420 -7.162 1.00 0.00 O ATOM 1328 CB THR A 86 -14.759 7.433 -8.464 1.00 0.00 C ATOM 1329 OG1 THR A 86 -15.998 7.376 -7.780 1.00 0.00 O ATOM 1330 CG2 THR A 86 -15.008 8.085 -9.808 1.00 0.00 C ATOM 0 H THR A 86 -15.181 5.422 -6.867 1.00 0.00 H new ATOM 0 HA THR A 86 -14.167 5.719 -9.618 1.00 0.00 H new ATOM 0 HB THR A 86 -14.032 8.031 -7.914 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.379 8.277 -7.718 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.451 9.069 -9.658 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.064 8.190 -10.342 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.689 7.466 -10.392 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.867 6.865 -8.833 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.451 6.993 -8.501 1.00 0.00 C ATOM 1340 C ARG A 87 -10.203 8.251 -7.678 1.00 0.00 C ATOM 1341 O ARG A 87 -10.590 9.351 -8.073 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.599 7.021 -9.773 1.00 0.00 C ATOM 1343 CG ARG A 87 -8.202 6.454 -9.579 1.00 0.00 C ATOM 1344 CD ARG A 87 -7.399 6.497 -10.868 1.00 0.00 C ATOM 1345 NE ARG A 87 -6.179 5.699 -10.781 1.00 0.00 N ATOM 1346 CZ ARG A 87 -5.493 5.276 -11.841 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -5.902 5.574 -13.068 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -4.394 4.553 -11.672 1.00 0.00 N ATOM 0 H ARG A 87 -12.165 7.420 -9.635 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.163 6.126 -7.907 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.107 6.455 -10.554 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.520 8.049 -10.125 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.682 7.021 -8.806 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.272 5.425 -9.227 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.014 6.131 -11.690 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.140 7.530 -11.099 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.832 5.451 -9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.746 6.130 -13.203 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.372 5.247 -13.876 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.075 4.322 -10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.867 4.228 -12.483 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.560 8.082 -6.527 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.266 9.204 -5.643 1.00 0.00 C ATOM 1364 C ILE A 88 -7.815 9.654 -5.778 1.00 0.00 C ATOM 1365 O ILE A 88 -7.543 10.797 -6.145 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.548 8.845 -4.169 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -11.014 8.441 -3.995 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -9.197 10.012 -3.251 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.391 8.133 -2.561 1.00 0.00 C ATOM 0 H ILE A 88 -9.233 7.179 -6.185 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.921 10.021 -5.944 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.919 7.999 -3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.650 9.245 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.217 7.565 -4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.404 9.736 -2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.139 10.253 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.797 10.881 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.444 7.854 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.780 7.308 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.221 9.014 -1.943 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.885 8.757 -5.466 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.467 9.083 -5.543 1.00 0.00 C ATOM 1383 C LEU A 89 -4.647 7.924 -6.105 1.00 0.00 C ATOM 1384 O LEU A 89 -4.739 6.792 -5.632 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.941 9.467 -4.156 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.421 9.621 -4.050 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -3.064 10.740 -3.084 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.781 8.310 -3.613 1.00 0.00 C ATOM 0 H LEU A 89 -7.086 7.805 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.360 9.928 -6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.406 10.406 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.263 8.710 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.032 9.881 -5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.980 10.835 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.490 11.678 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.466 10.511 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.701 8.438 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.176 8.019 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.008 7.533 -4.343 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.826 8.234 -7.102 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.956 7.247 -7.727 1.00 0.00 C ATOM 1402 C ASN A 90 -1.507 7.690 -7.575 1.00 0.00 C ATOM 1403 O ASN A 90 -1.080 8.663 -8.196 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.306 7.080 -9.208 1.00 0.00 C ATOM 1405 CG ASN A 90 -2.445 6.037 -9.893 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -2.333 4.866 -9.278 1.00 0.00 O flip ATOM 1407 ND2 ASN A 90 -1.886 6.281 -10.963 1.00 0.00 N flip ATOM 0 H ASN A 90 -3.745 9.171 -7.497 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.097 6.284 -7.236 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.355 6.799 -9.301 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.186 8.037 -9.717 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.000 7.195 -11.401 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.310 5.569 -11.411 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.758 6.996 -6.724 1.00 0.00 N ATOM 1415 CA LYS A 91 0.636 7.363 -6.478 1.00 0.00 C ATOM 1416 C LYS A 91 1.602 6.233 -6.810 1.00 0.00 C ATOM 1417 O LYS A 91 1.224 5.064 -6.867 1.00 0.00 O ATOM 1418 CB LYS A 91 0.819 7.780 -5.019 1.00 0.00 C ATOM 1419 CG LYS A 91 0.014 9.006 -4.628 1.00 0.00 C ATOM 1420 CD LYS A 91 0.743 10.291 -4.988 1.00 0.00 C ATOM 1421 CE LYS A 91 -0.208 11.476 -5.033 1.00 0.00 C ATOM 1422 NZ LYS A 91 0.269 12.535 -5.965 1.00 0.00 N ATOM 0 H LYS A 91 -1.086 6.186 -6.198 1.00 0.00 H new ATOM 0 HA LYS A 91 0.867 8.199 -7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.534 6.949 -4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.875 7.977 -4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.953 8.983 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.183 8.986 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.529 10.482 -4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.229 10.176 -5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.196 11.137 -5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.315 11.894 -4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.407 13.326 -5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.201 12.877 -5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.347 12.143 -6.925 1.00 0.00 H new ATOM 1436 N ALA A 92 2.862 6.608 -7.018 1.00 0.00 N ATOM 1437 CA ALA A 92 3.915 5.656 -7.334 1.00 0.00 C ATOM 1438 C ALA A 92 5.202 6.023 -6.603 1.00 0.00 C ATOM 1439 O ALA A 92 5.725 7.127 -6.768 1.00 0.00 O ATOM 1440 CB ALA A 92 4.153 5.620 -8.832 1.00 0.00 C ATOM 0 H ALA A 92 3.177 7.577 -6.972 1.00 0.00 H new ATOM 0 HA ALA A 92 3.601 4.666 -7.004 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.943 4.904 -9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.236 5.320 -9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.451 6.610 -9.177 1.00 0.00 H new ATOM 1446 N LEU A 93 5.706 5.102 -5.793 1.00 0.00 N ATOM 1447 CA LEU A 93 6.929 5.339 -5.034 1.00 0.00 C ATOM 1448 C LEU A 93 8.010 4.332 -5.405 1.00 0.00 C ATOM 1449 O LEU A 93 7.733 3.312 -6.031 1.00 0.00 O ATOM 1450 CB LEU A 93 6.644 5.267 -3.533 1.00 0.00 C ATOM 1451 CG LEU A 93 5.411 6.047 -3.071 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.142 5.261 -3.364 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.511 6.367 -1.588 1.00 0.00 C ATOM 0 H LEU A 93 5.288 4.184 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 93 7.290 6.337 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.520 4.221 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.515 5.641 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 93 5.368 6.985 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.275 5.831 -3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.065 5.081 -4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.175 4.307 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.627 6.922 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.578 5.439 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.401 6.969 -1.405 1.00 0.00 H new ATOM 1465 N ASP A 94 9.244 4.628 -5.010 1.00 0.00 N ATOM 1466 CA ASP A 94 10.373 3.750 -5.296 1.00 0.00 C ATOM 1467 C ASP A 94 11.082 3.349 -4.007 1.00 0.00 C ATOM 1468 O ASP A 94 11.342 4.184 -3.145 1.00 0.00 O ATOM 1469 CB ASP A 94 11.358 4.441 -6.241 1.00 0.00 C ATOM 1470 CG ASP A 94 10.691 4.934 -7.511 1.00 0.00 C ATOM 1471 OD1 ASP A 94 9.647 5.610 -7.411 1.00 0.00 O ATOM 1472 OD2 ASP A 94 11.216 4.643 -8.607 1.00 0.00 O ATOM 0 H ASP A 94 9.488 5.471 -4.490 1.00 0.00 H new ATOM 0 HA ASP A 94 9.992 2.850 -5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.821 5.283 -5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.157 3.747 -6.500 1.00 0.00 H new ATOM 1477 N LEU A 95 11.389 2.066 -3.875 1.00 0.00 N ATOM 1478 CA LEU A 95 12.063 1.563 -2.686 1.00 0.00 C ATOM 1479 C LEU A 95 13.279 0.715 -3.062 1.00 0.00 C ATOM 1480 O LEU A 95 13.186 -0.167 -3.919 1.00 0.00 O ATOM 1481 CB LEU A 95 11.101 0.713 -1.869 1.00 0.00 C ATOM 1482 CG LEU A 95 11.629 0.265 -0.506 1.00 0.00 C ATOM 1483 CD1 LEU A 95 10.511 0.238 0.520 1.00 0.00 C ATOM 1484 CD2 LEU A 95 12.294 -1.090 -0.628 1.00 0.00 C ATOM 0 H LEU A 95 11.182 1.355 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 95 12.397 2.419 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.181 1.277 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.840 -0.172 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 95 12.374 0.983 -0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.908 -0.083 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.084 1.236 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.737 -0.458 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 95 12.667 -1.401 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 95 11.569 -1.820 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.125 -1.026 -1.331 1.00 0.00 H new ATOM 1496 N ARG A 96 14.413 0.976 -2.415 1.00 0.00 N ATOM 1497 CA ARG A 96 15.637 0.233 -2.677 1.00 0.00 C ATOM 1498 C ARG A 96 15.994 -0.670 -1.498 1.00 0.00 C ATOM 1499 O ARG A 96 15.983 -0.238 -0.342 1.00 0.00 O ATOM 1500 CB ARG A 96 16.793 1.192 -2.968 1.00 0.00 C ATOM 1501 CG ARG A 96 16.373 2.645 -3.150 1.00 0.00 C ATOM 1502 CD ARG A 96 15.594 2.850 -4.443 1.00 0.00 C ATOM 1503 NE ARG A 96 16.160 2.087 -5.556 1.00 0.00 N ATOM 1504 CZ ARG A 96 15.460 1.693 -6.619 1.00 0.00 C ATOM 1505 NH1 ARG A 96 14.171 1.992 -6.725 1.00 0.00 N ATOM 1506 NH2 ARG A 96 16.053 1.001 -7.582 1.00 0.00 N ATOM 0 H ARG A 96 14.506 1.700 -1.703 1.00 0.00 H new ATOM 0 HA ARG A 96 15.466 -0.394 -3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 96 17.512 1.134 -2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 96 17.307 0.859 -3.870 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.761 2.955 -2.303 1.00 0.00 H new ATOM 0 HG3 ARG A 96 17.258 3.282 -3.154 1.00 0.00 H new ATOM 0 HD2 ARG A 96 14.556 2.552 -4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 96 15.588 3.910 -4.697 1.00 0.00 H new ATOM 0 HE ARG A 96 17.149 1.842 -5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.709 2.527 -5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.642 1.687 -7.542 1.00 0.00 H new ATOM 0 HH21 ARG A 96 17.044 0.771 -7.509 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.518 0.699 -8.396 1.00 0.00 H new ATOM 1520 N ILE A 97 16.309 -1.928 -1.799 1.00 0.00 N ATOM 1521 CA ILE A 97 16.667 -2.899 -0.770 1.00 0.00 C ATOM 1522 C ILE A 97 18.177 -3.100 -0.688 1.00 0.00 C ATOM 1523 O ILE A 97 18.759 -3.824 -1.495 1.00 0.00 O ATOM 1524 CB ILE A 97 16.014 -4.271 -1.035 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.555 -4.103 -1.463 1.00 0.00 C ATOM 1526 CG2 ILE A 97 16.116 -5.155 0.201 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.637 -3.690 -0.337 1.00 0.00 C ATOM 0 H ILE A 97 16.323 -2.298 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 97 16.300 -2.492 0.172 1.00 0.00 H new ATOM 0 HB ILE A 97 16.551 -4.756 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 97 14.502 -3.357 -2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.199 -5.043 -1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.651 -6.120 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.165 -5.305 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.605 -4.674 1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.620 -3.590 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.660 -4.446 0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.968 -2.735 0.070 1.00 0.00 H new ATOM 1539 N LEU A 98 18.804 -2.467 0.296 1.00 0.00 N ATOM 1540 CA LEU A 98 20.226 -2.582 0.495 1.00 0.00 C ATOM 1541 C LEU A 98 20.572 -3.938 1.102 1.00 0.00 C ATOM 1542 O LEU A 98 20.070 -4.303 2.168 1.00 0.00 O ATOM 1543 CB LEU A 98 20.688 -1.457 1.410 1.00 0.00 C ATOM 1544 CG LEU A 98 21.158 -0.194 0.693 1.00 0.00 C ATOM 1545 CD1 LEU A 98 21.409 0.925 1.692 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.409 -0.476 -0.125 1.00 0.00 C ATOM 0 H LEU A 98 18.334 -1.864 0.971 1.00 0.00 H new ATOM 0 HA LEU A 98 20.736 -2.504 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.869 -1.193 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.502 -1.827 2.033 1.00 0.00 H new ATOM 0 HG LEU A 98 20.371 0.127 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 98 21.743 1.817 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 98 20.487 1.146 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 98 22.177 0.615 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 98 22.728 0.437 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.204 -0.824 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 98 22.192 -1.243 -0.868 1.00 0.00 H new ATOM 1558 N GLU A 99 21.427 -4.680 0.412 1.00 0.00 N ATOM 1559 CA GLU A 99 21.843 -5.999 0.873 1.00 0.00 C ATOM 1560 C GLU A 99 22.546 -5.907 2.222 1.00 0.00 C ATOM 1561 O GLU A 99 22.273 -6.761 3.092 1.00 0.00 O ATOM 1562 CB GLU A 99 22.769 -6.652 -0.155 1.00 0.00 C ATOM 1563 CG GLU A 99 22.062 -7.067 -1.434 1.00 0.00 C ATOM 1564 CD GLU A 99 21.786 -8.557 -1.491 1.00 0.00 C ATOM 1565 OE1 GLU A 99 20.828 -9.008 -0.828 1.00 0.00 O ATOM 1566 OE2 GLU A 99 22.527 -9.272 -2.198 1.00 0.00 O ATOM 1567 OXT GLU A 99 23.367 -4.981 2.399 1.00 0.00 O ATOM 0 H GLU A 99 21.847 -4.391 -0.471 1.00 0.00 H new ATOM 0 HA GLU A 99 20.951 -6.614 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 99 23.571 -5.957 -0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 99 23.235 -7.529 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 99 21.121 -6.524 -1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 99 22.672 -6.781 -2.291 1.00 0.00 H new TER 1574 GLU A 99 HETATM 1575 CA CA A 100 2.436 4.329 7.293 1.00 0.00 CA