USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 725 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 24 ASN : amide:sc= -5.09! C(o=-5.2!,f=-5.3!) USER MOD Set 1.2: A 78 GLN : amide:sc= -0.0794 X(o=-5.2,f=-5) USER MOD Set 2.1: A 47 SER OG : rot 126:sc= -0.0801 USER MOD Set 2.2: A 49 HIS : no HE2:sc= -1.05 K(o=-1.1,f=-2.4!) USER MOD Set 3.1: A 16 SER OG : rot 168:sc= 1.53 USER MOD Set 3.2: A 56 GLN : amide:sc= -4.54! C(o=-3!,f=-3.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 47:sc= 0.00282 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.4!) USER MOD Single : A 22 ASN : amide:sc= 0.656 K(o=0.66,f=-0.92) USER MOD Single : A 25 THR OG1 : rot -120:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= -0.0454 (180deg=-0.326) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 38:sc= -2.65 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -157:sc= -2.25 USER MOD Single : A 59 ASN : amide:sc= -4.66! C(o=-4.7!,f=-4.1!) USER MOD Single : A 62 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.7!) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.96!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0637 K(o=-0.064,f=-1.7!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.792 2.977 27.646 1.00 0.00 N ATOM 2 CA GLY A 1 -10.405 2.949 28.080 1.00 0.00 C ATOM 3 C GLY A 1 -10.020 1.561 28.597 1.00 0.00 C ATOM 4 O GLY A 1 -10.496 1.133 29.648 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.028 3.929 27.300 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.930 2.286 26.881 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.411 2.736 28.446 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.755 3.225 27.250 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.251 3.689 28.865 1.00 0.00 H new ATOM 8 N SER A 2 -9.163 0.897 27.836 1.00 0.00 N ATOM 9 CA SER A 2 -8.710 -0.433 28.204 1.00 0.00 C ATOM 10 C SER A 2 -7.586 -0.881 27.267 1.00 0.00 C ATOM 11 O SER A 2 -7.689 -0.728 26.051 1.00 0.00 O ATOM 12 CB SER A 2 -9.863 -1.438 28.168 1.00 0.00 C ATOM 13 OG SER A 2 -10.337 -1.659 26.843 1.00 0.00 O ATOM 0 H SER A 2 -8.770 1.256 26.966 1.00 0.00 H new ATOM 0 HA SER A 2 -8.330 -0.394 29.225 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.533 -2.384 28.597 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.681 -1.074 28.790 1.00 0.00 H new ATOM 0 HG SER A 2 -11.071 -2.308 26.862 1.00 0.00 H new ATOM 19 N SER A 3 -6.539 -1.425 27.869 1.00 0.00 N ATOM 20 CA SER A 3 -5.397 -1.896 27.104 1.00 0.00 C ATOM 21 C SER A 3 -4.595 -2.905 27.928 1.00 0.00 C ATOM 22 O SER A 3 -4.498 -2.779 29.147 1.00 0.00 O ATOM 23 CB SER A 3 -4.503 -0.731 26.675 1.00 0.00 C ATOM 24 OG SER A 3 -4.621 -0.452 25.282 1.00 0.00 O ATOM 0 H SER A 3 -6.457 -1.550 28.878 1.00 0.00 H new ATOM 0 HA SER A 3 -5.767 -2.385 26.203 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.768 0.159 27.247 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.465 -0.965 26.911 1.00 0.00 H new ATOM 0 HG SER A 3 -5.568 -0.424 25.033 1.00 0.00 H new ATOM 30 N GLY A 4 -4.039 -3.884 27.228 1.00 0.00 N ATOM 31 CA GLY A 4 -3.249 -4.914 27.880 1.00 0.00 C ATOM 32 C GLY A 4 -1.758 -4.726 27.590 1.00 0.00 C ATOM 33 O GLY A 4 -1.132 -3.804 28.111 1.00 0.00 O ATOM 0 H GLY A 4 -4.120 -3.985 26.216 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.421 -4.883 28.956 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.569 -5.897 27.534 1.00 0.00 H new ATOM 37 N SER A 5 -1.232 -5.616 26.761 1.00 0.00 N ATOM 38 CA SER A 5 0.173 -5.560 26.396 1.00 0.00 C ATOM 39 C SER A 5 0.485 -6.632 25.350 1.00 0.00 C ATOM 40 O SER A 5 0.898 -7.738 25.694 1.00 0.00 O ATOM 41 CB SER A 5 1.068 -5.739 27.623 1.00 0.00 C ATOM 42 OG SER A 5 2.016 -4.683 27.752 1.00 0.00 O ATOM 0 H SER A 5 -1.754 -6.380 26.332 1.00 0.00 H new ATOM 0 HA SER A 5 0.377 -4.577 25.971 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.449 -5.782 28.519 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.594 -6.691 27.552 1.00 0.00 H new ATOM 0 HG SER A 5 2.567 -4.833 28.548 1.00 0.00 H new ATOM 48 N SER A 6 0.276 -6.266 24.093 1.00 0.00 N ATOM 49 CA SER A 6 0.530 -7.182 22.995 1.00 0.00 C ATOM 50 C SER A 6 1.672 -6.653 22.125 1.00 0.00 C ATOM 51 O SER A 6 1.911 -5.447 22.075 1.00 0.00 O ATOM 52 CB SER A 6 -0.728 -7.392 22.150 1.00 0.00 C ATOM 53 OG SER A 6 -1.376 -8.624 22.453 1.00 0.00 O ATOM 0 H SER A 6 -0.066 -5.347 23.811 1.00 0.00 H new ATOM 0 HA SER A 6 0.818 -8.146 23.414 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.420 -6.567 22.320 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.462 -7.373 21.093 1.00 0.00 H new ATOM 0 HG SER A 6 -2.175 -8.719 21.894 1.00 0.00 H new ATOM 59 N GLY A 7 2.346 -7.580 21.461 1.00 0.00 N ATOM 60 CA GLY A 7 3.457 -7.222 20.595 1.00 0.00 C ATOM 61 C GLY A 7 2.969 -6.908 19.179 1.00 0.00 C ATOM 62 O GLY A 7 1.777 -7.005 18.893 1.00 0.00 O ATOM 0 H GLY A 7 2.144 -8.579 21.505 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.978 -6.356 21.004 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.176 -8.041 20.563 1.00 0.00 H new ATOM 66 N LYS A 8 3.916 -6.537 18.330 1.00 0.00 N ATOM 67 CA LYS A 8 3.599 -6.208 16.951 1.00 0.00 C ATOM 68 C LYS A 8 4.561 -6.948 16.020 1.00 0.00 C ATOM 69 O LYS A 8 5.577 -6.393 15.604 1.00 0.00 O ATOM 70 CB LYS A 8 3.593 -4.691 16.750 1.00 0.00 C ATOM 71 CG LYS A 8 2.359 -4.057 17.395 1.00 0.00 C ATOM 72 CD LYS A 8 1.355 -3.604 16.332 1.00 0.00 C ATOM 73 CE LYS A 8 0.077 -4.443 16.392 1.00 0.00 C ATOM 74 NZ LYS A 8 -0.401 -4.757 15.027 1.00 0.00 N ATOM 0 H LYS A 8 4.904 -6.457 18.571 1.00 0.00 H new ATOM 0 HA LYS A 8 2.592 -6.544 16.701 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.496 -4.260 17.183 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.609 -4.462 15.685 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.885 -4.775 18.065 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.660 -3.204 18.003 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.111 -2.552 16.482 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.804 -3.689 15.343 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.267 -5.367 16.939 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.695 -3.902 16.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.269 -5.327 15.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.601 -3.873 14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.331 -5.292 14.518 1.00 0.00 H new ATOM 88 N THR A 9 4.207 -8.189 15.721 1.00 0.00 N ATOM 89 CA THR A 9 5.026 -9.011 14.847 1.00 0.00 C ATOM 90 C THR A 9 5.227 -8.318 13.497 1.00 0.00 C ATOM 91 O THR A 9 4.276 -7.800 12.914 1.00 0.00 O ATOM 92 CB THR A 9 4.363 -10.385 14.731 1.00 0.00 C ATOM 93 OG1 THR A 9 5.097 -11.201 15.640 1.00 0.00 O ATOM 94 CG2 THR A 9 4.602 -11.038 13.368 1.00 0.00 C ATOM 0 H THR A 9 3.364 -8.645 16.069 1.00 0.00 H new ATOM 0 HA THR A 9 6.026 -9.150 15.258 1.00 0.00 H new ATOM 0 HB THR A 9 3.291 -10.287 14.903 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.733 -12.111 15.630 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.110 -12.010 13.339 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.194 -10.401 12.583 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.673 -11.168 13.210 1.00 0.00 H new ATOM 102 N ASP A 10 6.470 -8.331 13.040 1.00 0.00 N ATOM 103 CA ASP A 10 6.808 -7.711 11.771 1.00 0.00 C ATOM 104 C ASP A 10 6.541 -8.702 10.636 1.00 0.00 C ATOM 105 O ASP A 10 6.682 -9.911 10.817 1.00 0.00 O ATOM 106 CB ASP A 10 8.288 -7.325 11.722 1.00 0.00 C ATOM 107 CG ASP A 10 8.824 -6.659 12.991 1.00 0.00 C ATOM 108 OD1 ASP A 10 8.396 -5.515 13.256 1.00 0.00 O ATOM 109 OD2 ASP A 10 9.649 -7.310 13.668 1.00 0.00 O ATOM 0 H ASP A 10 7.256 -8.762 13.527 1.00 0.00 H new ATOM 0 HA ASP A 10 6.198 -6.815 11.662 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.876 -8.221 11.524 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.444 -6.649 10.881 1.00 0.00 H new ATOM 114 N PRO A 11 6.149 -8.140 9.462 1.00 0.00 N ATOM 115 CA PRO A 11 5.861 -8.961 8.298 1.00 0.00 C ATOM 116 C PRO A 11 7.151 -9.480 7.660 1.00 0.00 C ATOM 117 O PRO A 11 7.436 -9.187 6.499 1.00 0.00 O ATOM 118 CB PRO A 11 5.059 -8.063 7.371 1.00 0.00 C ATOM 119 CG PRO A 11 5.324 -6.640 7.837 1.00 0.00 C ATOM 120 CD PRO A 11 5.971 -6.713 9.211 1.00 0.00 C ATOM 0 HA PRO A 11 5.296 -9.859 8.547 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.366 -8.198 6.334 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.996 -8.299 7.422 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.978 -6.123 7.134 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.394 -6.074 7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.925 -6.186 9.228 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.339 -6.253 9.971 1.00 0.00 H new ATOM 128 N ARG A 12 7.898 -10.241 8.446 1.00 0.00 N ATOM 129 CA ARG A 12 9.152 -10.803 7.972 1.00 0.00 C ATOM 130 C ARG A 12 10.215 -9.709 7.858 1.00 0.00 C ATOM 131 O ARG A 12 10.506 -9.233 6.762 1.00 0.00 O ATOM 132 CB ARG A 12 8.973 -11.475 6.609 1.00 0.00 C ATOM 133 CG ARG A 12 9.821 -12.746 6.509 1.00 0.00 C ATOM 134 CD ARG A 12 10.799 -12.661 5.336 1.00 0.00 C ATOM 135 NE ARG A 12 12.173 -12.435 5.839 1.00 0.00 N ATOM 136 CZ ARG A 12 13.247 -12.292 5.050 1.00 0.00 C ATOM 137 NH1 ARG A 12 13.113 -12.350 3.718 1.00 0.00 N ATOM 138 NH2 ARG A 12 14.455 -12.091 5.594 1.00 0.00 N ATOM 0 H ARG A 12 7.659 -10.482 9.408 1.00 0.00 H new ATOM 0 HA ARG A 12 9.474 -11.552 8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.922 -11.721 6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.256 -10.781 5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.373 -12.893 7.437 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.171 -13.612 6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.763 -13.582 4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.509 -11.850 4.668 1.00 0.00 H new ATOM 0 HE ARG A 12 12.311 -12.385 6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.193 -12.503 3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.931 -12.241 3.118 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.557 -12.047 6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.273 -11.982 4.994 1.00 0.00 H new ATOM 152 N SER A 13 10.765 -9.341 9.006 1.00 0.00 N ATOM 153 CA SER A 13 11.789 -8.312 9.049 1.00 0.00 C ATOM 154 C SER A 13 11.417 -7.164 8.108 1.00 0.00 C ATOM 155 O SER A 13 12.139 -6.881 7.153 1.00 0.00 O ATOM 156 CB SER A 13 13.159 -8.882 8.675 1.00 0.00 C ATOM 157 OG SER A 13 14.221 -8.192 9.329 1.00 0.00 O ATOM 0 H SER A 13 10.520 -9.737 9.913 1.00 0.00 H new ATOM 0 HA SER A 13 11.850 -7.932 10.069 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.196 -9.939 8.939 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.296 -8.818 7.595 1.00 0.00 H new ATOM 0 HG SER A 13 15.079 -8.586 9.066 1.00 0.00 H new ATOM 163 N MET A 14 10.292 -6.533 8.412 1.00 0.00 N ATOM 164 CA MET A 14 9.816 -5.423 7.605 1.00 0.00 C ATOM 165 C MET A 14 9.512 -4.203 8.477 1.00 0.00 C ATOM 166 O MET A 14 9.432 -4.313 9.699 1.00 0.00 O ATOM 167 CB MET A 14 8.550 -5.842 6.855 1.00 0.00 C ATOM 168 CG MET A 14 8.899 -6.594 5.569 1.00 0.00 C ATOM 169 SD MET A 14 9.809 -5.526 4.465 1.00 0.00 S ATOM 170 CE MET A 14 10.994 -6.691 3.813 1.00 0.00 C ATOM 0 H MET A 14 9.697 -6.770 9.206 1.00 0.00 H new ATOM 0 HA MET A 14 10.597 -5.154 6.894 1.00 0.00 H new ATOM 0 HB2 MET A 14 7.936 -6.475 7.496 1.00 0.00 H new ATOM 0 HB3 MET A 14 7.956 -4.960 6.615 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.492 -7.478 5.804 1.00 0.00 H new ATOM 0 HG3 MET A 14 7.988 -6.942 5.083 1.00 0.00 H new ATOM 0 HE1 MET A 14 11.647 -6.186 3.101 1.00 0.00 H new ATOM 0 HE2 MET A 14 11.592 -7.097 4.629 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.468 -7.502 3.310 1.00 0.00 H new ATOM 180 N ASN A 15 9.351 -3.067 7.814 1.00 0.00 N ATOM 181 CA ASN A 15 9.058 -1.827 8.513 1.00 0.00 C ATOM 182 C ASN A 15 8.233 -0.916 7.602 1.00 0.00 C ATOM 183 O ASN A 15 7.093 -0.582 7.919 1.00 0.00 O ATOM 184 CB ASN A 15 10.344 -1.087 8.884 1.00 0.00 C ATOM 185 CG ASN A 15 11.183 -1.904 9.868 1.00 0.00 C ATOM 186 OD1 ASN A 15 11.805 -2.895 9.521 1.00 0.00 O ATOM 187 ND2 ASN A 15 11.166 -1.436 11.113 1.00 0.00 N ATOM 0 H ASN A 15 9.418 -2.979 6.800 1.00 0.00 H new ATOM 0 HA ASN A 15 8.509 -2.073 9.422 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.925 -0.887 7.984 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.098 -0.121 9.325 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.695 -1.912 11.844 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.624 -0.601 11.337 1.00 0.00 H new ATOM 194 N SER A 16 8.843 -0.538 6.488 1.00 0.00 N ATOM 195 CA SER A 16 8.179 0.328 5.529 1.00 0.00 C ATOM 196 C SER A 16 7.358 -0.510 4.547 1.00 0.00 C ATOM 197 O SER A 16 7.904 -1.078 3.602 1.00 0.00 O ATOM 198 CB SER A 16 9.193 1.190 4.772 1.00 0.00 C ATOM 199 OG SER A 16 10.204 0.403 4.150 1.00 0.00 O ATOM 0 H SER A 16 9.790 -0.816 6.228 1.00 0.00 H new ATOM 0 HA SER A 16 7.511 0.994 6.075 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.675 1.778 4.015 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.656 1.895 5.462 1.00 0.00 H new ATOM 0 HG SER A 16 10.714 0.960 3.526 1.00 0.00 H new ATOM 205 N ARG A 17 6.059 -0.560 4.804 1.00 0.00 N ATOM 206 CA ARG A 17 5.157 -1.320 3.955 1.00 0.00 C ATOM 207 C ARG A 17 3.799 -0.621 3.864 1.00 0.00 C ATOM 208 O ARG A 17 3.314 -0.070 4.851 1.00 0.00 O ATOM 209 CB ARG A 17 4.958 -2.738 4.492 1.00 0.00 C ATOM 210 CG ARG A 17 5.272 -3.781 3.417 1.00 0.00 C ATOM 211 CD ARG A 17 4.777 -5.167 3.837 1.00 0.00 C ATOM 212 NE ARG A 17 4.477 -5.981 2.639 1.00 0.00 N ATOM 213 CZ ARG A 17 5.407 -6.596 1.896 1.00 0.00 C ATOM 214 NH1 ARG A 17 6.702 -6.493 2.224 1.00 0.00 N ATOM 215 NH2 ARG A 17 5.042 -7.314 0.825 1.00 0.00 N ATOM 0 H ARG A 17 5.610 -0.087 5.588 1.00 0.00 H new ATOM 0 HA ARG A 17 5.606 -1.379 2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.602 -2.897 5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.930 -2.860 4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.802 -3.492 2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.347 -3.813 3.239 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.534 -5.664 4.444 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.884 -5.072 4.455 1.00 0.00 H new ATOM 0 HE ARG A 17 3.501 -6.080 2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.980 -5.946 3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.410 -6.961 1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.056 -7.392 0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.750 -7.782 0.259 1.00 0.00 H new ATOM 229 N VAL A 18 3.225 -0.665 2.671 1.00 0.00 N ATOM 230 CA VAL A 18 1.933 -0.043 2.438 1.00 0.00 C ATOM 231 C VAL A 18 1.001 -1.051 1.762 1.00 0.00 C ATOM 232 O VAL A 18 1.379 -1.690 0.781 1.00 0.00 O ATOM 233 CB VAL A 18 2.110 1.244 1.630 1.00 0.00 C ATOM 234 CG1 VAL A 18 0.768 1.950 1.423 1.00 0.00 C ATOM 235 CG2 VAL A 18 3.123 2.176 2.297 1.00 0.00 C ATOM 0 H VAL A 18 3.631 -1.122 1.855 1.00 0.00 H new ATOM 0 HA VAL A 18 1.471 0.244 3.383 1.00 0.00 H new ATOM 0 HB VAL A 18 2.501 0.973 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.922 2.862 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.089 1.290 0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.336 2.202 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.230 3.083 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.775 2.437 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.088 1.673 2.369 1.00 0.00 H new ATOM 245 N PHE A 19 -0.199 -1.161 2.313 1.00 0.00 N ATOM 246 CA PHE A 19 -1.188 -2.080 1.775 1.00 0.00 C ATOM 247 C PHE A 19 -2.241 -1.333 0.954 1.00 0.00 C ATOM 248 O PHE A 19 -3.158 -0.733 1.512 1.00 0.00 O ATOM 249 CB PHE A 19 -1.871 -2.750 2.969 1.00 0.00 C ATOM 250 CG PHE A 19 -3.163 -3.489 2.612 1.00 0.00 C ATOM 251 CD1 PHE A 19 -3.145 -4.478 1.680 1.00 0.00 C ATOM 252 CD2 PHE A 19 -4.329 -3.155 3.228 1.00 0.00 C ATOM 253 CE1 PHE A 19 -4.344 -5.164 1.349 1.00 0.00 C ATOM 254 CE2 PHE A 19 -5.527 -3.840 2.897 1.00 0.00 C ATOM 255 CZ PHE A 19 -5.510 -4.830 1.965 1.00 0.00 C ATOM 0 H PHE A 19 -0.509 -0.629 3.126 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.705 -2.806 1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.175 -3.455 3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.094 -1.992 3.720 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.219 -4.742 1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.343 -2.369 3.969 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.330 -5.950 0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.453 -3.575 3.386 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.422 -5.351 1.714 1.00 0.00 H new ATOM 265 N ILE A 20 -2.073 -1.394 -0.359 1.00 0.00 N ATOM 266 CA ILE A 20 -2.998 -0.731 -1.263 1.00 0.00 C ATOM 267 C ILE A 20 -4.173 -1.664 -1.558 1.00 0.00 C ATOM 268 O ILE A 20 -4.024 -2.645 -2.285 1.00 0.00 O ATOM 269 CB ILE A 20 -2.267 -0.247 -2.517 1.00 0.00 C ATOM 270 CG1 ILE A 20 -1.043 0.594 -2.148 1.00 0.00 C ATOM 271 CG2 ILE A 20 -3.218 0.504 -3.451 1.00 0.00 C ATOM 272 CD1 ILE A 20 0.245 -0.063 -2.649 1.00 0.00 C ATOM 0 H ILE A 20 -1.311 -1.892 -0.818 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.411 0.164 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.906 -1.120 -3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.139 1.591 -2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.995 0.718 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.673 0.837 -4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.029 -0.158 -3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.630 1.369 -2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.100 0.555 -2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.350 -1.049 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.204 -0.163 -3.734 1.00 0.00 H new ATOM 284 N GLY A 21 -5.316 -1.326 -0.979 1.00 0.00 N ATOM 285 CA GLY A 21 -6.517 -2.121 -1.171 1.00 0.00 C ATOM 286 C GLY A 21 -7.501 -1.413 -2.104 1.00 0.00 C ATOM 287 O GLY A 21 -7.251 -0.290 -2.539 1.00 0.00 O ATOM 0 H GLY A 21 -5.436 -0.512 -0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.251 -3.093 -1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.993 -2.306 -0.208 1.00 0.00 H new ATOM 291 N ASN A 22 -8.599 -2.099 -2.385 1.00 0.00 N ATOM 292 CA ASN A 22 -9.621 -1.549 -3.259 1.00 0.00 C ATOM 293 C ASN A 22 -8.952 -0.872 -4.457 1.00 0.00 C ATOM 294 O ASN A 22 -9.407 0.175 -4.916 1.00 0.00 O ATOM 295 CB ASN A 22 -10.462 -0.499 -2.531 1.00 0.00 C ATOM 296 CG ASN A 22 -11.818 -0.311 -3.215 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.657 -1.196 -3.241 1.00 0.00 O ATOM 298 ND2 ASN A 22 -11.984 0.887 -3.766 1.00 0.00 N ATOM 0 H ASN A 22 -8.803 -3.030 -2.023 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.265 -2.367 -3.580 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.612 -0.803 -1.495 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.927 0.450 -2.510 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.855 1.111 -4.247 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.240 1.583 -3.708 1.00 0.00 H new ATOM 305 N LEU A 23 -7.883 -1.496 -4.928 1.00 0.00 N ATOM 306 CA LEU A 23 -7.147 -0.966 -6.063 1.00 0.00 C ATOM 307 C LEU A 23 -7.621 -1.660 -7.342 1.00 0.00 C ATOM 308 O LEU A 23 -7.421 -2.862 -7.511 1.00 0.00 O ATOM 309 CB LEU A 23 -5.640 -1.079 -5.825 1.00 0.00 C ATOM 310 CG LEU A 23 -4.749 -0.253 -6.755 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.354 -0.869 -6.868 1.00 0.00 C ATOM 312 CD2 LEU A 23 -5.408 -0.069 -8.124 1.00 0.00 C ATOM 0 H LEU A 23 -7.509 -2.364 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.348 0.098 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.432 -0.782 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.355 -2.127 -5.918 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.628 0.739 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.741 -0.262 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.891 -0.905 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.434 -1.880 -7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.754 0.521 -8.766 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.579 -1.044 -8.579 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.360 0.447 -8.003 1.00 0.00 H new ATOM 324 N ASN A 24 -8.240 -0.873 -8.210 1.00 0.00 N ATOM 325 CA ASN A 24 -8.743 -1.397 -9.468 1.00 0.00 C ATOM 326 C ASN A 24 -7.572 -1.915 -10.305 1.00 0.00 C ATOM 327 O ASN A 24 -7.112 -1.237 -11.223 1.00 0.00 O ATOM 328 CB ASN A 24 -9.454 -0.307 -10.273 1.00 0.00 C ATOM 329 CG ASN A 24 -10.654 -0.880 -11.031 1.00 0.00 C ATOM 330 OD1 ASN A 24 -10.924 -2.069 -11.010 1.00 0.00 O ATOM 331 ND2 ASN A 24 -11.356 0.031 -11.698 1.00 0.00 N ATOM 0 H ASN A 24 -8.404 0.123 -8.067 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.448 -2.197 -9.242 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.787 0.486 -9.603 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.755 0.144 -10.978 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.176 -0.250 -12.235 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.074 1.011 -11.673 1.00 0.00 H new ATOM 338 N THR A 25 -7.124 -3.113 -9.959 1.00 0.00 N ATOM 339 CA THR A 25 -6.015 -3.730 -10.667 1.00 0.00 C ATOM 340 C THR A 25 -6.464 -4.204 -12.051 1.00 0.00 C ATOM 341 O THR A 25 -5.680 -4.793 -12.794 1.00 0.00 O ATOM 342 CB THR A 25 -5.462 -4.855 -9.790 1.00 0.00 C ATOM 343 OG1 THR A 25 -6.534 -5.790 -9.707 1.00 0.00 O ATOM 344 CG2 THR A 25 -5.239 -4.413 -8.342 1.00 0.00 C ATOM 0 H THR A 25 -7.509 -3.673 -9.198 1.00 0.00 H new ATOM 0 HA THR A 25 -5.213 -3.014 -10.847 1.00 0.00 H new ATOM 0 HB THR A 25 -4.521 -5.213 -10.209 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.794 -5.907 -8.769 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.846 -5.249 -7.763 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.526 -3.589 -8.319 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.186 -4.087 -7.911 1.00 0.00 H new ATOM 352 N LEU A 26 -7.723 -3.928 -12.356 1.00 0.00 N ATOM 353 CA LEU A 26 -8.286 -4.318 -13.638 1.00 0.00 C ATOM 354 C LEU A 26 -8.070 -3.190 -14.649 1.00 0.00 C ATOM 355 O LEU A 26 -8.190 -3.401 -15.855 1.00 0.00 O ATOM 356 CB LEU A 26 -9.751 -4.729 -13.477 1.00 0.00 C ATOM 357 CG LEU A 26 -10.030 -6.233 -13.483 1.00 0.00 C ATOM 358 CD1 LEU A 26 -11.518 -6.515 -13.263 1.00 0.00 C ATOM 359 CD2 LEU A 26 -9.507 -6.883 -14.766 1.00 0.00 C ATOM 0 H LEU A 26 -8.370 -3.439 -11.737 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.774 -5.198 -14.028 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.123 -4.314 -12.540 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.327 -4.269 -14.280 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.490 -6.684 -12.651 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.689 -7.591 -13.272 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.828 -6.106 -12.301 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.098 -6.049 -14.059 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.718 -7.952 -14.744 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.999 -6.433 -15.628 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.431 -6.727 -14.840 1.00 0.00 H new ATOM 371 N VAL A 27 -7.756 -2.016 -14.120 1.00 0.00 N ATOM 372 CA VAL A 27 -7.523 -0.855 -14.962 1.00 0.00 C ATOM 373 C VAL A 27 -6.163 -0.246 -14.617 1.00 0.00 C ATOM 374 O VAL A 27 -5.345 -0.004 -15.503 1.00 0.00 O ATOM 375 CB VAL A 27 -8.678 0.138 -14.814 1.00 0.00 C ATOM 376 CG1 VAL A 27 -9.913 -0.340 -15.580 1.00 0.00 C ATOM 377 CG2 VAL A 27 -9.006 0.382 -13.340 1.00 0.00 C ATOM 0 H VAL A 27 -7.658 -1.844 -13.119 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.493 -1.144 -16.013 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.362 1.087 -15.247 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.719 0.383 -15.458 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.670 -0.438 -16.638 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.231 -1.307 -15.190 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.830 1.091 -13.263 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.292 -0.559 -12.870 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.130 0.788 -12.835 1.00 0.00 H new ATOM 387 N VAL A 28 -5.963 -0.015 -13.328 1.00 0.00 N ATOM 388 CA VAL A 28 -4.716 0.561 -12.855 1.00 0.00 C ATOM 389 C VAL A 28 -3.579 -0.436 -13.084 1.00 0.00 C ATOM 390 O VAL A 28 -3.797 -1.646 -13.067 1.00 0.00 O ATOM 391 CB VAL A 28 -4.856 0.982 -11.390 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.734 1.940 -10.986 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.229 1.604 -11.127 1.00 0.00 C ATOM 0 H VAL A 28 -6.644 -0.216 -12.596 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.475 1.463 -13.417 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.770 0.087 -10.774 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.857 2.224 -9.941 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.770 1.448 -11.118 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.774 2.832 -11.611 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.302 1.894 -10.079 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.356 2.484 -11.757 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.008 0.877 -11.357 1.00 0.00 H new ATOM 403 N LYS A 29 -2.390 0.109 -13.295 1.00 0.00 N ATOM 404 CA LYS A 29 -1.218 -0.718 -13.527 1.00 0.00 C ATOM 405 C LYS A 29 -0.279 -0.615 -12.323 1.00 0.00 C ATOM 406 O LYS A 29 -0.595 0.055 -11.341 1.00 0.00 O ATOM 407 CB LYS A 29 -0.556 -0.347 -14.856 1.00 0.00 C ATOM 408 CG LYS A 29 -0.774 -1.443 -15.901 1.00 0.00 C ATOM 409 CD LYS A 29 0.375 -2.453 -15.884 1.00 0.00 C ATOM 410 CE LYS A 29 0.109 -3.569 -14.871 1.00 0.00 C ATOM 411 NZ LYS A 29 -0.970 -4.459 -15.353 1.00 0.00 N ATOM 0 H LYS A 29 -2.213 1.113 -13.310 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.504 -1.766 -13.620 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.966 0.595 -15.220 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.512 -0.192 -14.704 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.716 -1.955 -15.705 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.855 -0.995 -16.891 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.502 -2.882 -16.878 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.307 -1.945 -15.635 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.019 -4.146 -14.709 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.170 -3.137 -13.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.895 -5.383 -14.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.894 -4.033 -15.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.881 -4.588 -16.381 1.00 0.00 H new ATOM 425 N LYS A 30 0.855 -1.290 -12.439 1.00 0.00 N ATOM 426 CA LYS A 30 1.842 -1.283 -11.372 1.00 0.00 C ATOM 427 C LYS A 30 2.581 0.056 -11.375 1.00 0.00 C ATOM 428 O LYS A 30 2.741 0.683 -10.329 1.00 0.00 O ATOM 429 CB LYS A 30 2.767 -2.496 -11.490 1.00 0.00 C ATOM 430 CG LYS A 30 3.093 -3.073 -10.111 1.00 0.00 C ATOM 431 CD LYS A 30 2.739 -4.559 -10.040 1.00 0.00 C ATOM 432 CE LYS A 30 3.994 -5.428 -10.141 1.00 0.00 C ATOM 433 NZ LYS A 30 3.677 -6.726 -10.776 1.00 0.00 N ATOM 0 H LYS A 30 1.113 -1.845 -13.255 1.00 0.00 H new ATOM 0 HA LYS A 30 1.354 -1.376 -10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.293 -3.261 -12.105 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.689 -2.207 -11.995 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.153 -2.938 -9.898 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.542 -2.527 -9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.222 -4.769 -9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.052 -4.812 -10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.757 -4.909 -10.722 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.409 -5.595 -9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.540 -7.303 -10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.965 -7.226 -10.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.302 -6.562 -11.732 1.00 0.00 H new ATOM 447 N SER A 31 3.012 0.456 -12.562 1.00 0.00 N ATOM 448 CA SER A 31 3.730 1.709 -12.715 1.00 0.00 C ATOM 449 C SER A 31 2.860 2.873 -12.235 1.00 0.00 C ATOM 450 O SER A 31 3.377 3.915 -11.836 1.00 0.00 O ATOM 451 CB SER A 31 4.153 1.928 -14.169 1.00 0.00 C ATOM 452 OG SER A 31 5.570 1.983 -14.310 1.00 0.00 O ATOM 0 H SER A 31 2.877 -0.066 -13.428 1.00 0.00 H new ATOM 0 HA SER A 31 4.632 1.662 -12.105 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.758 1.121 -14.787 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.716 2.856 -14.538 1.00 0.00 H new ATOM 0 HG SER A 31 5.800 2.122 -15.252 1.00 0.00 H new ATOM 458 N ASP A 32 1.554 2.656 -12.291 1.00 0.00 N ATOM 459 CA ASP A 32 0.608 3.673 -11.867 1.00 0.00 C ATOM 460 C ASP A 32 0.644 3.794 -10.342 1.00 0.00 C ATOM 461 O ASP A 32 0.406 4.869 -9.794 1.00 0.00 O ATOM 462 CB ASP A 32 -0.819 3.305 -12.278 1.00 0.00 C ATOM 463 CG ASP A 32 -1.083 3.325 -13.785 1.00 0.00 C ATOM 464 OD1 ASP A 32 -0.168 2.908 -14.527 1.00 0.00 O ATOM 465 OD2 ASP A 32 -2.194 3.757 -14.160 1.00 0.00 O ATOM 0 H ASP A 32 1.129 1.790 -12.624 1.00 0.00 H new ATOM 0 HA ASP A 32 0.889 4.613 -12.342 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.045 2.309 -11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.510 3.995 -11.794 1.00 0.00 H new ATOM 470 N VAL A 33 0.944 2.674 -9.699 1.00 0.00 N ATOM 471 CA VAL A 33 1.014 2.641 -8.248 1.00 0.00 C ATOM 472 C VAL A 33 2.464 2.852 -7.807 1.00 0.00 C ATOM 473 O VAL A 33 2.721 3.221 -6.662 1.00 0.00 O ATOM 474 CB VAL A 33 0.415 1.334 -7.725 1.00 0.00 C ATOM 475 CG1 VAL A 33 0.374 1.323 -6.196 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.977 1.095 -8.313 1.00 0.00 C ATOM 0 H VAL A 33 1.141 1.784 -10.156 1.00 0.00 H new ATOM 0 HA VAL A 33 0.422 3.449 -7.819 1.00 0.00 H new ATOM 0 HB VAL A 33 1.060 0.517 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.056 0.383 -5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.386 1.425 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.237 2.153 -5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.380 0.160 -7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.636 1.917 -8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.908 1.038 -9.399 1.00 0.00 H new ATOM 486 N GLU A 34 3.374 2.610 -8.739 1.00 0.00 N ATOM 487 CA GLU A 34 4.791 2.769 -8.461 1.00 0.00 C ATOM 488 C GLU A 34 5.239 4.196 -8.786 1.00 0.00 C ATOM 489 O GLU A 34 6.258 4.661 -8.278 1.00 0.00 O ATOM 490 CB GLU A 34 5.621 1.744 -9.237 1.00 0.00 C ATOM 491 CG GLU A 34 5.921 0.517 -8.375 1.00 0.00 C ATOM 492 CD GLU A 34 6.713 -0.527 -9.164 1.00 0.00 C ATOM 493 OE1 GLU A 34 6.212 -0.929 -10.236 1.00 0.00 O ATOM 494 OE2 GLU A 34 7.803 -0.900 -8.678 1.00 0.00 O ATOM 0 H GLU A 34 3.157 2.305 -9.688 1.00 0.00 H new ATOM 0 HA GLU A 34 4.955 2.590 -7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.083 1.440 -10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.555 2.200 -9.565 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.487 0.817 -7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.987 0.079 -8.021 1.00 0.00 H new ATOM 501 N ALA A 35 4.454 4.850 -9.630 1.00 0.00 N ATOM 502 CA ALA A 35 4.757 6.215 -10.028 1.00 0.00 C ATOM 503 C ALA A 35 4.020 7.186 -9.105 1.00 0.00 C ATOM 504 O ALA A 35 4.612 8.139 -8.601 1.00 0.00 O ATOM 505 CB ALA A 35 4.385 6.411 -11.499 1.00 0.00 C ATOM 0 H ALA A 35 3.609 4.461 -10.049 1.00 0.00 H new ATOM 0 HA ALA A 35 5.824 6.416 -9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.612 7.434 -11.798 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.958 5.717 -12.115 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.320 6.221 -11.633 1.00 0.00 H new ATOM 511 N ILE A 36 2.738 6.912 -8.912 1.00 0.00 N ATOM 512 CA ILE A 36 1.913 7.751 -8.059 1.00 0.00 C ATOM 513 C ILE A 36 2.495 7.758 -6.644 1.00 0.00 C ATOM 514 O ILE A 36 2.368 8.747 -5.922 1.00 0.00 O ATOM 515 CB ILE A 36 0.451 7.304 -8.121 1.00 0.00 C ATOM 516 CG1 ILE A 36 -0.124 7.503 -9.524 1.00 0.00 C ATOM 517 CG2 ILE A 36 -0.384 8.013 -7.053 1.00 0.00 C ATOM 518 CD1 ILE A 36 -1.475 6.798 -9.668 1.00 0.00 C ATOM 0 H ILE A 36 2.250 6.121 -9.332 1.00 0.00 H new ATOM 0 HA ILE A 36 1.922 8.782 -8.413 1.00 0.00 H new ATOM 0 HB ILE A 36 0.410 6.236 -7.905 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.242 8.568 -9.725 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.574 7.114 -10.266 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.419 7.678 -7.118 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.012 7.777 -6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.341 9.090 -7.213 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.862 6.955 -10.675 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.349 5.730 -9.490 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.178 7.206 -8.941 1.00 0.00 H new ATOM 530 N PHE A 37 3.120 6.645 -6.289 1.00 0.00 N ATOM 531 CA PHE A 37 3.721 6.512 -4.973 1.00 0.00 C ATOM 532 C PHE A 37 5.192 6.931 -4.998 1.00 0.00 C ATOM 533 O PHE A 37 5.795 7.157 -3.949 1.00 0.00 O ATOM 534 CB PHE A 37 3.630 5.034 -4.588 1.00 0.00 C ATOM 535 CG PHE A 37 2.211 4.560 -4.270 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.232 4.666 -5.208 1.00 0.00 C ATOM 537 CD2 PHE A 37 1.928 4.032 -3.049 1.00 0.00 C ATOM 538 CE1 PHE A 37 -0.085 4.226 -4.913 1.00 0.00 C ATOM 539 CE2 PHE A 37 0.611 3.591 -2.753 1.00 0.00 C ATOM 540 CZ PHE A 37 -0.368 3.698 -3.691 1.00 0.00 C ATOM 0 H PHE A 37 3.223 5.827 -6.890 1.00 0.00 H new ATOM 0 HA PHE A 37 3.201 7.151 -4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.029 4.431 -5.404 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.265 4.856 -3.720 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.457 5.085 -6.178 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.705 3.948 -2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.862 4.310 -5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.387 3.171 -1.784 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.370 3.364 -3.466 1.00 0.00 H new ATOM 550 N SER A 38 5.729 7.022 -6.206 1.00 0.00 N ATOM 551 CA SER A 38 7.118 7.410 -6.380 1.00 0.00 C ATOM 552 C SER A 38 7.324 8.848 -5.900 1.00 0.00 C ATOM 553 O SER A 38 8.446 9.248 -5.592 1.00 0.00 O ATOM 554 CB SER A 38 7.549 7.272 -7.842 1.00 0.00 C ATOM 555 OG SER A 38 8.595 8.179 -8.178 1.00 0.00 O ATOM 0 H SER A 38 5.227 6.834 -7.074 1.00 0.00 H new ATOM 0 HA SER A 38 7.737 6.742 -5.782 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.882 6.251 -8.027 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.692 7.451 -8.491 1.00 0.00 H new ATOM 0 HG SER A 38 8.843 8.059 -9.119 1.00 0.00 H new ATOM 561 N LYS A 39 6.224 9.585 -5.851 1.00 0.00 N ATOM 562 CA LYS A 39 6.271 10.970 -5.413 1.00 0.00 C ATOM 563 C LYS A 39 6.204 11.019 -3.885 1.00 0.00 C ATOM 564 O LYS A 39 6.319 12.090 -3.290 1.00 0.00 O ATOM 565 CB LYS A 39 5.176 11.786 -6.103 1.00 0.00 C ATOM 566 CG LYS A 39 3.812 11.111 -5.955 1.00 0.00 C ATOM 567 CD LYS A 39 2.677 12.115 -6.167 1.00 0.00 C ATOM 568 CE LYS A 39 1.820 11.728 -7.374 1.00 0.00 C ATOM 569 NZ LYS A 39 0.654 12.631 -7.493 1.00 0.00 N ATOM 0 H LYS A 39 5.295 9.250 -6.107 1.00 0.00 H new ATOM 0 HA LYS A 39 7.214 11.432 -5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.139 12.787 -5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.415 11.902 -7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.724 10.299 -6.677 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.728 10.666 -4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.054 12.159 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.092 13.112 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.419 11.776 -8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.480 10.697 -7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.083 12.354 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.074 12.565 -6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.984 13.610 -7.613 1.00 0.00 H new ATOM 583 N TYR A 40 6.018 9.848 -3.294 1.00 0.00 N ATOM 584 CA TYR A 40 5.935 9.745 -1.847 1.00 0.00 C ATOM 585 C TYR A 40 7.175 9.055 -1.275 1.00 0.00 C ATOM 586 O TYR A 40 7.173 8.622 -0.123 1.00 0.00 O ATOM 587 CB TYR A 40 4.706 8.882 -1.556 1.00 0.00 C ATOM 588 CG TYR A 40 3.377 9.632 -1.671 1.00 0.00 C ATOM 589 CD1 TYR A 40 3.265 10.915 -1.176 1.00 0.00 C ATOM 590 CD2 TYR A 40 2.291 9.026 -2.269 1.00 0.00 C ATOM 591 CE1 TYR A 40 2.015 11.622 -1.283 1.00 0.00 C ATOM 592 CE2 TYR A 40 1.041 9.732 -2.376 1.00 0.00 C ATOM 593 CZ TYR A 40 0.964 10.995 -1.878 1.00 0.00 C ATOM 594 OH TYR A 40 -0.216 11.662 -1.980 1.00 0.00 O ATOM 0 H TYR A 40 5.922 8.962 -3.791 1.00 0.00 H new ATOM 0 HA TYR A 40 5.868 10.734 -1.395 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.696 8.038 -2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.793 8.471 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.115 11.389 -0.708 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.379 8.022 -2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.914 12.627 -0.900 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.184 9.269 -2.841 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.876 11.092 -2.428 1.00 0.00 H new ATOM 604 N GLY A 41 8.204 8.974 -2.105 1.00 0.00 N ATOM 605 CA GLY A 41 9.448 8.344 -1.696 1.00 0.00 C ATOM 606 C GLY A 41 9.965 7.396 -2.780 1.00 0.00 C ATOM 607 O GLY A 41 9.410 7.339 -3.876 1.00 0.00 O ATOM 0 H GLY A 41 8.202 9.334 -3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.197 9.109 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.293 7.792 -0.769 1.00 0.00 H new ATOM 611 N LYS A 42 11.024 6.677 -2.436 1.00 0.00 N ATOM 612 CA LYS A 42 11.622 5.735 -3.366 1.00 0.00 C ATOM 613 C LYS A 42 11.139 4.321 -3.035 1.00 0.00 C ATOM 614 O LYS A 42 11.420 3.802 -1.956 1.00 0.00 O ATOM 615 CB LYS A 42 13.145 5.879 -3.369 1.00 0.00 C ATOM 616 CG LYS A 42 13.800 4.771 -4.197 1.00 0.00 C ATOM 617 CD LYS A 42 15.010 5.304 -4.966 1.00 0.00 C ATOM 618 CE LYS A 42 15.659 4.198 -5.801 1.00 0.00 C ATOM 619 NZ LYS A 42 17.013 4.605 -6.237 1.00 0.00 N ATOM 0 H LYS A 42 11.483 6.728 -1.526 1.00 0.00 H new ATOM 0 HA LYS A 42 11.302 5.951 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.421 6.852 -3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.519 5.843 -2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.111 3.958 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.074 4.357 -4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.701 6.122 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.739 5.712 -4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.719 3.280 -5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.040 3.981 -6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.439 3.843 -6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.947 5.468 -6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.606 4.790 -5.403 1.00 0.00 H new ATOM 633 N ILE A 43 10.420 3.739 -3.984 1.00 0.00 N ATOM 634 CA ILE A 43 9.895 2.396 -3.807 1.00 0.00 C ATOM 635 C ILE A 43 11.013 1.380 -4.053 1.00 0.00 C ATOM 636 O ILE A 43 11.729 1.468 -5.049 1.00 0.00 O ATOM 637 CB ILE A 43 8.664 2.181 -4.690 1.00 0.00 C ATOM 638 CG1 ILE A 43 7.521 3.107 -4.271 1.00 0.00 C ATOM 639 CG2 ILE A 43 8.240 0.711 -4.691 1.00 0.00 C ATOM 640 CD1 ILE A 43 6.345 3.001 -5.243 1.00 0.00 C ATOM 0 H ILE A 43 10.189 4.173 -4.878 1.00 0.00 H new ATOM 0 HA ILE A 43 9.552 2.253 -2.782 1.00 0.00 H new ATOM 0 HB ILE A 43 8.929 2.440 -5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.190 2.850 -3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.877 4.137 -4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.363 0.586 -5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.056 0.097 -5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.999 0.401 -3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.546 3.669 -4.922 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.673 3.282 -6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.976 1.975 -5.257 1.00 0.00 H new ATOM 652 N VAL A 44 11.127 0.438 -3.127 1.00 0.00 N ATOM 653 CA VAL A 44 12.145 -0.593 -3.231 1.00 0.00 C ATOM 654 C VAL A 44 11.481 -1.924 -3.591 1.00 0.00 C ATOM 655 O VAL A 44 12.089 -2.767 -4.248 1.00 0.00 O ATOM 656 CB VAL A 44 12.955 -0.661 -1.935 1.00 0.00 C ATOM 657 CG1 VAL A 44 13.523 0.713 -1.571 1.00 0.00 C ATOM 658 CG2 VAL A 44 12.113 -1.226 -0.790 1.00 0.00 C ATOM 0 H VAL A 44 10.531 0.368 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 44 12.850 -0.355 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 44 13.793 -1.338 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.094 0.637 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.175 1.061 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.705 1.420 -1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.713 -1.263 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.246 -0.586 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.779 -2.232 -1.046 1.00 0.00 H new ATOM 668 N GLY A 45 10.243 -2.071 -3.143 1.00 0.00 N ATOM 669 CA GLY A 45 9.490 -3.286 -3.410 1.00 0.00 C ATOM 670 C GLY A 45 7.990 -2.995 -3.488 1.00 0.00 C ATOM 671 O GLY A 45 7.379 -2.599 -2.497 1.00 0.00 O ATOM 0 H GLY A 45 9.742 -1.370 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.827 -3.729 -4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.682 -4.017 -2.625 1.00 0.00 H new ATOM 675 N CYS A 46 7.441 -3.203 -4.675 1.00 0.00 N ATOM 676 CA CYS A 46 6.024 -2.968 -4.896 1.00 0.00 C ATOM 677 C CYS A 46 5.441 -4.185 -5.617 1.00 0.00 C ATOM 678 O CYS A 46 6.124 -4.821 -6.419 1.00 0.00 O ATOM 679 CB CYS A 46 5.779 -1.673 -5.673 1.00 0.00 C ATOM 680 SG CYS A 46 4.044 -1.608 -6.251 1.00 0.00 S ATOM 0 H CYS A 46 7.952 -3.532 -5.494 1.00 0.00 H new ATOM 0 HA CYS A 46 5.521 -2.840 -3.937 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.992 -0.813 -5.038 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.457 -1.616 -6.525 1.00 0.00 H new ATOM 0 HG CYS A 46 3.263 -2.102 -5.336 1.00 0.00 H new ATOM 686 N SER A 47 4.186 -4.473 -5.306 1.00 0.00 N ATOM 687 CA SER A 47 3.504 -5.602 -5.914 1.00 0.00 C ATOM 688 C SER A 47 2.010 -5.301 -6.048 1.00 0.00 C ATOM 689 O SER A 47 1.454 -4.538 -5.261 1.00 0.00 O ATOM 690 CB SER A 47 3.718 -6.879 -5.098 1.00 0.00 C ATOM 691 OG SER A 47 3.635 -6.636 -3.697 1.00 0.00 O ATOM 0 H SER A 47 3.623 -3.943 -4.640 1.00 0.00 H new ATOM 0 HA SER A 47 3.926 -5.762 -6.906 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.971 -7.621 -5.382 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.694 -7.302 -5.336 1.00 0.00 H new ATOM 0 HG SER A 47 2.979 -7.245 -3.298 1.00 0.00 H new ATOM 697 N VAL A 48 1.403 -5.917 -7.052 1.00 0.00 N ATOM 698 CA VAL A 48 -0.016 -5.725 -7.300 1.00 0.00 C ATOM 699 C VAL A 48 -0.692 -7.089 -7.450 1.00 0.00 C ATOM 700 O VAL A 48 -0.415 -7.822 -8.397 1.00 0.00 O ATOM 701 CB VAL A 48 -0.216 -4.821 -8.518 1.00 0.00 C ATOM 702 CG1 VAL A 48 -1.698 -4.718 -8.886 1.00 0.00 C ATOM 703 CG2 VAL A 48 0.387 -3.435 -8.278 1.00 0.00 C ATOM 0 H VAL A 48 1.868 -6.549 -7.703 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.487 -5.220 -6.456 1.00 0.00 H new ATOM 0 HB VAL A 48 0.308 -5.273 -9.360 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.813 -4.070 -9.755 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.085 -5.710 -9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.253 -4.301 -8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.231 -2.813 -9.159 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.095 -2.972 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.456 -3.531 -8.087 1.00 0.00 H new ATOM 713 N HIS A 49 -1.567 -7.387 -6.500 1.00 0.00 N ATOM 714 CA HIS A 49 -2.286 -8.650 -6.515 1.00 0.00 C ATOM 715 C HIS A 49 -3.779 -8.388 -6.719 1.00 0.00 C ATOM 716 O HIS A 49 -4.374 -7.579 -6.009 1.00 0.00 O ATOM 717 CB HIS A 49 -1.993 -9.456 -5.248 1.00 0.00 C ATOM 718 CG HIS A 49 -0.531 -9.498 -4.870 1.00 0.00 C ATOM 719 ND1 HIS A 49 0.266 -10.609 -5.080 1.00 0.00 N ATOM 720 CD2 HIS A 49 0.269 -8.553 -4.296 1.00 0.00 C ATOM 721 CE1 HIS A 49 1.488 -10.336 -4.647 1.00 0.00 C ATOM 722 NE2 HIS A 49 1.487 -9.061 -4.161 1.00 0.00 N ATOM 0 H HIS A 49 -1.794 -6.776 -5.716 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.942 -9.259 -7.351 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.560 -9.030 -4.420 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.351 -10.476 -5.388 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -0.036 -11.489 -5.497 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.037 -7.560 -4.002 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.336 -11.005 -4.674 1.00 0.00 H new ATOM 730 N LYS A 50 -4.342 -9.088 -7.692 1.00 0.00 N ATOM 731 CA LYS A 50 -5.755 -8.942 -7.999 1.00 0.00 C ATOM 732 C LYS A 50 -6.544 -8.805 -6.695 1.00 0.00 C ATOM 733 O LYS A 50 -6.806 -9.796 -6.017 1.00 0.00 O ATOM 734 CB LYS A 50 -6.232 -10.092 -8.888 1.00 0.00 C ATOM 735 CG LYS A 50 -6.464 -9.615 -10.324 1.00 0.00 C ATOM 736 CD LYS A 50 -5.149 -9.568 -11.105 1.00 0.00 C ATOM 737 CE LYS A 50 -5.223 -10.446 -12.356 1.00 0.00 C ATOM 738 NZ LYS A 50 -4.687 -9.721 -13.530 1.00 0.00 N ATOM 0 H LYS A 50 -3.845 -9.758 -8.279 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.928 -8.032 -8.574 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.492 -10.892 -8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.155 -10.509 -8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.165 -10.283 -10.824 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.920 -8.625 -10.313 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.928 -8.540 -11.391 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.331 -9.905 -10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.656 -11.363 -12.198 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.257 -10.738 -12.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.744 -10.331 -14.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.245 -8.858 -13.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.694 -9.464 -13.356 1.00 0.00 H new ATOM 752 N GLY A 51 -6.900 -7.567 -6.384 1.00 0.00 N ATOM 753 CA GLY A 51 -7.654 -7.287 -5.174 1.00 0.00 C ATOM 754 C GLY A 51 -6.987 -6.179 -4.357 1.00 0.00 C ATOM 755 O GLY A 51 -7.664 -5.421 -3.664 1.00 0.00 O ATOM 0 H GLY A 51 -6.680 -6.747 -6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.670 -6.990 -5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.731 -8.192 -4.571 1.00 0.00 H new ATOM 759 N PHE A 52 -5.668 -6.120 -4.465 1.00 0.00 N ATOM 760 CA PHE A 52 -4.902 -5.118 -3.744 1.00 0.00 C ATOM 761 C PHE A 52 -3.459 -5.061 -4.251 1.00 0.00 C ATOM 762 O PHE A 52 -3.124 -5.692 -5.252 1.00 0.00 O ATOM 763 CB PHE A 52 -4.897 -5.532 -2.271 1.00 0.00 C ATOM 764 CG PHE A 52 -4.585 -7.012 -2.042 1.00 0.00 C ATOM 765 CD1 PHE A 52 -5.581 -7.936 -2.112 1.00 0.00 C ATOM 766 CD2 PHE A 52 -3.312 -7.404 -1.768 1.00 0.00 C ATOM 767 CE1 PHE A 52 -5.291 -9.309 -1.899 1.00 0.00 C ATOM 768 CE2 PHE A 52 -3.022 -8.778 -1.555 1.00 0.00 C ATOM 769 CZ PHE A 52 -4.018 -9.701 -1.625 1.00 0.00 C ATOM 0 H PHE A 52 -5.110 -6.750 -5.041 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.348 -4.134 -3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.162 -4.929 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.871 -5.305 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.592 -7.625 -2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.521 -6.670 -1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.082 -10.043 -1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.011 -9.089 -1.338 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.798 -10.746 -1.463 1.00 0.00 H new ATOM 779 N ALA A 53 -2.644 -4.300 -3.535 1.00 0.00 N ATOM 780 CA ALA A 53 -1.245 -4.154 -3.900 1.00 0.00 C ATOM 781 C ALA A 53 -0.440 -3.748 -2.663 1.00 0.00 C ATOM 782 O ALA A 53 -1.004 -3.271 -1.680 1.00 0.00 O ATOM 783 CB ALA A 53 -1.118 -3.138 -5.037 1.00 0.00 C ATOM 0 H ALA A 53 -2.925 -3.778 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.841 -5.100 -4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.069 -3.028 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.684 -3.486 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.510 -2.175 -4.710 1.00 0.00 H new ATOM 789 N PHE A 54 0.866 -3.954 -2.753 1.00 0.00 N ATOM 790 CA PHE A 54 1.754 -3.616 -1.653 1.00 0.00 C ATOM 791 C PHE A 54 2.949 -2.798 -2.146 1.00 0.00 C ATOM 792 O PHE A 54 3.506 -3.082 -3.205 1.00 0.00 O ATOM 793 CB PHE A 54 2.260 -4.935 -1.066 1.00 0.00 C ATOM 794 CG PHE A 54 1.418 -5.462 0.098 1.00 0.00 C ATOM 795 CD1 PHE A 54 1.700 -5.076 1.371 1.00 0.00 C ATOM 796 CD2 PHE A 54 0.387 -6.316 -0.141 1.00 0.00 C ATOM 797 CE1 PHE A 54 0.919 -5.565 2.451 1.00 0.00 C ATOM 798 CE2 PHE A 54 -0.395 -6.805 0.939 1.00 0.00 C ATOM 799 CZ PHE A 54 -0.112 -6.419 2.212 1.00 0.00 C ATOM 0 H PHE A 54 1.330 -4.350 -3.570 1.00 0.00 H new ATOM 0 HA PHE A 54 1.221 -3.020 -0.913 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.282 -5.687 -1.855 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.287 -4.799 -0.726 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.518 -4.397 1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.163 -6.622 -1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.144 -5.259 3.462 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.214 -7.483 0.749 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.706 -6.791 3.034 1.00 0.00 H new ATOM 809 N VAL A 55 3.309 -1.799 -1.353 1.00 0.00 N ATOM 810 CA VAL A 55 4.428 -0.938 -1.696 1.00 0.00 C ATOM 811 C VAL A 55 5.419 -0.910 -0.530 1.00 0.00 C ATOM 812 O VAL A 55 5.023 -1.020 0.629 1.00 0.00 O ATOM 813 CB VAL A 55 3.920 0.452 -2.083 1.00 0.00 C ATOM 814 CG1 VAL A 55 5.067 1.465 -2.117 1.00 0.00 C ATOM 815 CG2 VAL A 55 3.182 0.413 -3.422 1.00 0.00 C ATOM 0 H VAL A 55 2.846 -1.567 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 55 4.958 -1.328 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 55 3.211 0.774 -1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.679 2.445 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.530 1.524 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.810 1.149 -2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.831 1.414 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.858 0.059 -4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.329 -0.262 -3.348 1.00 0.00 H new ATOM 825 N GLN A 56 6.689 -0.761 -0.878 1.00 0.00 N ATOM 826 CA GLN A 56 7.739 -0.717 0.125 1.00 0.00 C ATOM 827 C GLN A 56 8.711 0.426 -0.175 1.00 0.00 C ATOM 828 O GLN A 56 9.495 0.348 -1.120 1.00 0.00 O ATOM 829 CB GLN A 56 8.476 -2.055 0.208 1.00 0.00 C ATOM 830 CG GLN A 56 9.652 -1.975 1.183 1.00 0.00 C ATOM 831 CD GLN A 56 9.401 -2.845 2.417 1.00 0.00 C ATOM 832 OE1 GLN A 56 8.694 -3.838 2.374 1.00 0.00 O ATOM 833 NE2 GLN A 56 10.020 -2.418 3.514 1.00 0.00 N ATOM 0 H GLN A 56 7.014 -0.669 -1.840 1.00 0.00 H new ATOM 0 HA GLN A 56 7.279 -0.533 1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.786 -2.835 0.529 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.838 -2.337 -0.781 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.565 -2.300 0.684 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.806 -0.940 1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.597 -1.578 3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.917 -2.931 4.390 1.00 0.00 H new ATOM 842 N TYR A 57 8.629 1.462 0.648 1.00 0.00 N ATOM 843 CA TYR A 57 9.491 2.620 0.483 1.00 0.00 C ATOM 844 C TYR A 57 10.848 2.392 1.152 1.00 0.00 C ATOM 845 O TYR A 57 11.032 1.414 1.874 1.00 0.00 O ATOM 846 CB TYR A 57 8.779 3.779 1.181 1.00 0.00 C ATOM 847 CG TYR A 57 7.497 4.234 0.482 1.00 0.00 C ATOM 848 CD1 TYR A 57 6.347 3.478 0.589 1.00 0.00 C ATOM 849 CD2 TYR A 57 7.489 5.400 -0.256 1.00 0.00 C ATOM 850 CE1 TYR A 57 5.140 3.906 -0.069 1.00 0.00 C ATOM 851 CE2 TYR A 57 6.283 5.828 -0.915 1.00 0.00 C ATOM 852 CZ TYR A 57 5.167 5.060 -0.789 1.00 0.00 C ATOM 853 OH TYR A 57 4.027 5.464 -1.411 1.00 0.00 O ATOM 0 H TYR A 57 7.978 1.523 1.431 1.00 0.00 H new ATOM 0 HA TYR A 57 9.671 2.817 -0.574 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.538 3.482 2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.464 4.625 1.248 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.353 2.565 1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.388 5.992 -0.339 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.233 3.324 0.007 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.264 6.738 -1.496 1.00 0.00 H new ATOM 0 HH TYR A 57 4.254 6.059 -2.156 1.00 0.00 H new ATOM 863 N VAL A 58 11.764 3.313 0.889 1.00 0.00 N ATOM 864 CA VAL A 58 13.098 3.225 1.457 1.00 0.00 C ATOM 865 C VAL A 58 13.017 3.425 2.972 1.00 0.00 C ATOM 866 O VAL A 58 13.867 2.933 3.712 1.00 0.00 O ATOM 867 CB VAL A 58 14.026 4.230 0.771 1.00 0.00 C ATOM 868 CG1 VAL A 58 15.177 4.634 1.695 1.00 0.00 C ATOM 869 CG2 VAL A 58 14.555 3.672 -0.552 1.00 0.00 C ATOM 0 H VAL A 58 11.608 4.124 0.290 1.00 0.00 H new ATOM 0 HA VAL A 58 13.523 2.237 1.281 1.00 0.00 H new ATOM 0 HB VAL A 58 13.445 5.125 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.821 5.349 1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.775 5.091 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.756 3.750 1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.212 4.405 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.112 2.754 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.718 3.458 -1.217 1.00 0.00 H new ATOM 879 N ASN A 59 11.987 4.147 3.387 1.00 0.00 N ATOM 880 CA ASN A 59 11.783 4.417 4.800 1.00 0.00 C ATOM 881 C ASN A 59 10.283 4.488 5.091 1.00 0.00 C ATOM 882 O ASN A 59 9.492 4.825 4.211 1.00 0.00 O ATOM 883 CB ASN A 59 12.406 5.756 5.200 1.00 0.00 C ATOM 884 CG ASN A 59 13.828 5.886 4.648 1.00 0.00 C ATOM 885 OD1 ASN A 59 14.146 6.784 3.887 1.00 0.00 O ATOM 886 ND2 ASN A 59 14.661 4.941 5.074 1.00 0.00 N ATOM 0 H ASN A 59 11.284 4.554 2.769 1.00 0.00 H new ATOM 0 HA ASN A 59 12.255 3.615 5.368 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.790 6.574 4.825 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.424 5.843 6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.632 4.940 4.763 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.328 4.218 5.712 1.00 0.00 H new ATOM 893 N GLU A 60 9.936 4.165 6.328 1.00 0.00 N ATOM 894 CA GLU A 60 8.545 4.188 6.746 1.00 0.00 C ATOM 895 C GLU A 60 7.955 5.586 6.552 1.00 0.00 C ATOM 896 O GLU A 60 6.918 5.744 5.910 1.00 0.00 O ATOM 897 CB GLU A 60 8.400 3.728 8.198 1.00 0.00 C ATOM 898 CG GLU A 60 7.088 2.969 8.405 1.00 0.00 C ATOM 899 CD GLU A 60 6.979 2.442 9.837 1.00 0.00 C ATOM 900 OE1 GLU A 60 7.568 3.093 10.727 1.00 0.00 O ATOM 901 OE2 GLU A 60 6.310 1.401 10.009 1.00 0.00 O ATOM 0 H GLU A 60 10.595 3.886 7.055 1.00 0.00 H new ATOM 0 HA GLU A 60 7.987 3.490 6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.241 3.088 8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.433 4.592 8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.246 3.627 8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.030 2.138 7.702 1.00 0.00 H new ATOM 908 N ARG A 61 8.643 6.567 7.119 1.00 0.00 N ATOM 909 CA ARG A 61 8.200 7.947 7.017 1.00 0.00 C ATOM 910 C ARG A 61 7.635 8.222 5.622 1.00 0.00 C ATOM 911 O ARG A 61 6.584 8.846 5.486 1.00 0.00 O ATOM 912 CB ARG A 61 9.352 8.916 7.293 1.00 0.00 C ATOM 913 CG ARG A 61 9.397 9.307 8.771 1.00 0.00 C ATOM 914 CD ARG A 61 10.519 10.313 9.039 1.00 0.00 C ATOM 915 NE ARG A 61 9.988 11.478 9.781 1.00 0.00 N ATOM 916 CZ ARG A 61 10.743 12.317 10.502 1.00 0.00 C ATOM 917 NH1 ARG A 61 12.067 12.125 10.584 1.00 0.00 N ATOM 918 NH2 ARG A 61 10.175 13.348 11.143 1.00 0.00 N ATOM 0 H ARG A 61 9.503 6.433 7.650 1.00 0.00 H new ATOM 0 HA ARG A 61 7.422 8.102 7.764 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.297 8.454 7.006 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.235 9.810 6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.440 9.737 9.066 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.548 8.417 9.382 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.315 9.838 9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.957 10.641 8.096 1.00 0.00 H new ATOM 0 HE ARG A 61 8.984 11.653 9.741 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.500 11.340 10.097 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.642 12.764 11.133 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.167 13.494 11.082 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.750 13.987 11.692 1.00 0.00 H new ATOM 932 N ASN A 62 8.358 7.742 4.621 1.00 0.00 N ATOM 933 CA ASN A 62 7.941 7.928 3.241 1.00 0.00 C ATOM 934 C ASN A 62 6.612 7.205 3.012 1.00 0.00 C ATOM 935 O ASN A 62 5.649 7.805 2.537 1.00 0.00 O ATOM 936 CB ASN A 62 8.970 7.342 2.272 1.00 0.00 C ATOM 937 CG ASN A 62 10.116 8.327 2.028 1.00 0.00 C ATOM 938 OD1 ASN A 62 9.969 9.532 2.147 1.00 0.00 O ATOM 939 ND2 ASN A 62 11.262 7.748 1.682 1.00 0.00 N ATOM 0 H ASN A 62 9.229 7.225 4.738 1.00 0.00 H new ATOM 0 HA ASN A 62 7.842 8.998 3.060 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.366 6.410 2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.487 7.099 1.326 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.087 8.319 1.498 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.316 6.733 1.600 1.00 0.00 H new ATOM 946 N ALA A 63 6.602 5.928 3.362 1.00 0.00 N ATOM 947 CA ALA A 63 5.406 5.117 3.201 1.00 0.00 C ATOM 948 C ALA A 63 4.221 5.828 3.859 1.00 0.00 C ATOM 949 O ALA A 63 3.277 6.227 3.179 1.00 0.00 O ATOM 950 CB ALA A 63 5.650 3.725 3.788 1.00 0.00 C ATOM 0 H ALA A 63 7.402 5.434 3.757 1.00 0.00 H new ATOM 0 HA ALA A 63 5.169 4.988 2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.753 3.117 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.482 3.251 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.888 3.814 4.848 1.00 0.00 H new ATOM 956 N ARG A 64 4.310 5.964 5.174 1.00 0.00 N ATOM 957 CA ARG A 64 3.257 6.620 5.930 1.00 0.00 C ATOM 958 C ARG A 64 2.710 7.818 5.152 1.00 0.00 C ATOM 959 O ARG A 64 1.510 8.085 5.177 1.00 0.00 O ATOM 960 CB ARG A 64 3.770 7.095 7.291 1.00 0.00 C ATOM 961 CG ARG A 64 2.730 7.969 7.994 1.00 0.00 C ATOM 962 CD ARG A 64 3.226 8.409 9.374 1.00 0.00 C ATOM 963 NE ARG A 64 2.837 9.814 9.627 1.00 0.00 N ATOM 964 CZ ARG A 64 3.439 10.611 10.521 1.00 0.00 C ATOM 965 NH1 ARG A 64 4.462 10.146 11.251 1.00 0.00 N ATOM 966 NH2 ARG A 64 3.019 11.872 10.684 1.00 0.00 N ATOM 0 H ARG A 64 5.094 5.631 5.735 1.00 0.00 H new ATOM 0 HA ARG A 64 2.461 5.892 6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.008 6.233 7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.694 7.658 7.159 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.515 8.846 7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.796 7.417 8.098 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.805 7.762 10.144 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.310 8.307 9.429 1.00 0.00 H new ATOM 0 HE ARG A 64 2.062 10.200 9.087 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.783 9.186 11.126 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.920 10.752 11.931 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.241 12.226 10.128 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.477 12.478 11.364 1.00 0.00 H new ATOM 980 N ALA A 65 3.618 8.509 4.478 1.00 0.00 N ATOM 981 CA ALA A 65 3.243 9.673 3.694 1.00 0.00 C ATOM 982 C ALA A 65 2.099 9.298 2.749 1.00 0.00 C ATOM 983 O ALA A 65 0.998 9.836 2.858 1.00 0.00 O ATOM 984 CB ALA A 65 4.468 10.201 2.944 1.00 0.00 C ATOM 0 H ALA A 65 4.613 8.285 4.459 1.00 0.00 H new ATOM 0 HA ALA A 65 2.888 10.474 4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.186 11.074 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.241 10.480 3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.851 9.425 2.281 1.00 0.00 H new ATOM 990 N ALA A 66 2.398 8.379 1.844 1.00 0.00 N ATOM 991 CA ALA A 66 1.409 7.926 0.881 1.00 0.00 C ATOM 992 C ALA A 66 0.197 7.365 1.627 1.00 0.00 C ATOM 993 O ALA A 66 -0.936 7.774 1.375 1.00 0.00 O ATOM 994 CB ALA A 66 2.042 6.898 -0.058 1.00 0.00 C ATOM 0 H ALA A 66 3.312 7.935 1.757 1.00 0.00 H new ATOM 0 HA ALA A 66 1.063 8.758 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.299 6.559 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.879 7.354 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.399 6.047 0.522 1.00 0.00 H new ATOM 1000 N VAL A 67 0.476 6.438 2.532 1.00 0.00 N ATOM 1001 CA VAL A 67 -0.577 5.817 3.317 1.00 0.00 C ATOM 1002 C VAL A 67 -1.556 6.893 3.792 1.00 0.00 C ATOM 1003 O VAL A 67 -2.742 6.622 3.974 1.00 0.00 O ATOM 1004 CB VAL A 67 0.032 5.013 4.467 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -1.054 4.516 5.424 1.00 0.00 C ATOM 1006 CG2 VAL A 67 0.872 3.849 3.938 1.00 0.00 C ATOM 0 H VAL A 67 1.417 6.102 2.739 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.141 5.111 2.708 1.00 0.00 H new ATOM 0 HB VAL A 67 0.693 5.676 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.594 3.947 6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.591 5.369 5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.752 3.877 4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.293 3.294 4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.243 3.187 3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.680 4.236 3.317 1.00 0.00 H new ATOM 1016 N ALA A 68 -1.022 8.092 3.978 1.00 0.00 N ATOM 1017 CA ALA A 68 -1.834 9.210 4.428 1.00 0.00 C ATOM 1018 C ALA A 68 -2.328 9.998 3.213 1.00 0.00 C ATOM 1019 O ALA A 68 -3.447 10.508 3.214 1.00 0.00 O ATOM 1020 CB ALA A 68 -1.020 10.076 5.392 1.00 0.00 C ATOM 0 H ALA A 68 -0.038 8.313 3.825 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.711 8.854 4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.629 10.915 5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.717 9.478 6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.133 10.453 4.882 1.00 0.00 H new ATOM 1026 N GLY A 69 -1.470 10.072 2.207 1.00 0.00 N ATOM 1027 CA GLY A 69 -1.805 10.788 0.988 1.00 0.00 C ATOM 1028 C GLY A 69 -2.632 9.911 0.046 1.00 0.00 C ATOM 1029 O GLY A 69 -3.839 10.107 -0.091 1.00 0.00 O ATOM 0 H GLY A 69 -0.542 9.648 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.364 11.691 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.891 11.106 0.486 1.00 0.00 H new ATOM 1033 N GLU A 70 -1.950 8.962 -0.578 1.00 0.00 N ATOM 1034 CA GLU A 70 -2.607 8.054 -1.503 1.00 0.00 C ATOM 1035 C GLU A 70 -3.995 7.677 -0.982 1.00 0.00 C ATOM 1036 O GLU A 70 -5.004 7.987 -1.613 1.00 0.00 O ATOM 1037 CB GLU A 70 -1.754 6.807 -1.745 1.00 0.00 C ATOM 1038 CG GLU A 70 -1.339 6.702 -3.214 1.00 0.00 C ATOM 1039 CD GLU A 70 -2.506 6.222 -4.080 1.00 0.00 C ATOM 1040 OE1 GLU A 70 -3.325 7.086 -4.459 1.00 0.00 O ATOM 1041 OE2 GLU A 70 -2.552 5.001 -4.343 1.00 0.00 O ATOM 0 H GLU A 70 -0.949 8.802 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.726 8.564 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.866 6.842 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.314 5.917 -1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.994 7.673 -3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.501 6.011 -3.311 1.00 0.00 H new ATOM 1048 N ASP A 71 -4.001 7.014 0.165 1.00 0.00 N ATOM 1049 CA ASP A 71 -5.249 6.591 0.778 1.00 0.00 C ATOM 1050 C ASP A 71 -6.292 7.698 0.617 1.00 0.00 C ATOM 1051 O ASP A 71 -6.220 8.726 1.288 1.00 0.00 O ATOM 1052 CB ASP A 71 -5.066 6.328 2.274 1.00 0.00 C ATOM 1053 CG ASP A 71 -6.364 6.238 3.079 1.00 0.00 C ATOM 1054 OD1 ASP A 71 -7.329 5.657 2.535 1.00 0.00 O ATOM 1055 OD2 ASP A 71 -6.362 6.750 4.218 1.00 0.00 O ATOM 0 H ASP A 71 -3.162 6.759 0.686 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.572 5.673 0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.514 5.397 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.450 7.123 2.694 1.00 0.00 H new ATOM 1060 N GLY A 72 -7.238 7.451 -0.277 1.00 0.00 N ATOM 1061 CA GLY A 72 -8.294 8.414 -0.536 1.00 0.00 C ATOM 1062 C GLY A 72 -8.257 8.893 -1.988 1.00 0.00 C ATOM 1063 O GLY A 72 -9.166 9.587 -2.440 1.00 0.00 O ATOM 0 H GLY A 72 -7.295 6.597 -0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.263 7.962 -0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.186 9.267 0.135 1.00 0.00 H new ATOM 1067 N ARG A 73 -7.196 8.502 -2.679 1.00 0.00 N ATOM 1068 CA ARG A 73 -7.028 8.883 -4.071 1.00 0.00 C ATOM 1069 C ARG A 73 -8.050 8.155 -4.948 1.00 0.00 C ATOM 1070 O ARG A 73 -8.250 6.950 -4.803 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.618 8.556 -4.566 1.00 0.00 C ATOM 1072 CG ARG A 73 -5.169 9.550 -5.639 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.095 8.937 -6.540 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.765 9.869 -7.641 1.00 0.00 N ATOM 1075 CZ ARG A 73 -3.055 10.995 -7.484 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -2.597 11.335 -6.272 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -2.804 11.780 -8.540 1.00 0.00 N ATOM 0 H ARG A 73 -6.444 7.925 -2.301 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.185 9.959 -4.141 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.920 8.579 -3.729 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.596 7.544 -4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.026 9.851 -6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.780 10.451 -5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.200 8.719 -5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.448 7.990 -6.948 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.098 9.640 -8.577 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.788 10.737 -5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.057 12.192 -6.153 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.153 11.521 -9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.264 12.637 -8.421 1.00 0.00 H new ATOM 1091 N MET A 74 -8.669 8.918 -5.837 1.00 0.00 N ATOM 1092 CA MET A 74 -9.665 8.360 -6.736 1.00 0.00 C ATOM 1093 C MET A 74 -9.019 7.874 -8.035 1.00 0.00 C ATOM 1094 O MET A 74 -8.717 8.673 -8.920 1.00 0.00 O ATOM 1095 CB MET A 74 -10.717 9.424 -7.056 1.00 0.00 C ATOM 1096 CG MET A 74 -12.125 8.916 -6.738 1.00 0.00 C ATOM 1097 SD MET A 74 -13.244 10.294 -6.552 1.00 0.00 S ATOM 1098 CE MET A 74 -14.807 9.437 -6.631 1.00 0.00 C ATOM 0 H MET A 74 -8.500 9.917 -5.954 1.00 0.00 H new ATOM 0 HA MET A 74 -10.135 7.508 -6.244 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.513 10.327 -6.480 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.654 9.697 -8.109 1.00 0.00 H new ATOM 0 HG2 MET A 74 -12.473 8.260 -7.536 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.109 8.324 -5.823 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.621 10.155 -6.530 1.00 0.00 H new ATOM 0 HE2 MET A 74 -14.892 8.923 -7.589 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.864 8.708 -5.822 1.00 0.00 H new ATOM 1108 N ILE A 75 -8.827 6.565 -8.109 1.00 0.00 N ATOM 1109 CA ILE A 75 -8.223 5.962 -9.285 1.00 0.00 C ATOM 1110 C ILE A 75 -9.283 5.164 -10.046 1.00 0.00 C ATOM 1111 O ILE A 75 -9.933 4.288 -9.477 1.00 0.00 O ATOM 1112 CB ILE A 75 -6.995 5.137 -8.894 1.00 0.00 C ATOM 1113 CG1 ILE A 75 -5.849 5.357 -9.883 1.00 0.00 C ATOM 1114 CG2 ILE A 75 -7.353 3.656 -8.751 1.00 0.00 C ATOM 1115 CD1 ILE A 75 -4.934 6.492 -9.418 1.00 0.00 C ATOM 0 H ILE A 75 -9.079 5.905 -7.373 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.857 6.733 -9.963 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.649 5.480 -7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.271 4.438 -9.986 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.254 5.591 -10.868 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.463 3.092 -8.473 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.113 3.538 -7.979 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.738 3.282 -9.699 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.128 6.628 -10.139 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.510 7.414 -9.339 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.512 6.243 -8.444 1.00 0.00 H new ATOM 1127 N ALA A 76 -9.426 5.495 -11.321 1.00 0.00 N ATOM 1128 CA ALA A 76 -10.397 4.820 -12.165 1.00 0.00 C ATOM 1129 C ALA A 76 -11.807 5.262 -11.768 1.00 0.00 C ATOM 1130 O ALA A 76 -12.793 4.731 -12.276 1.00 0.00 O ATOM 1131 CB ALA A 76 -10.206 3.306 -12.053 1.00 0.00 C ATOM 0 H ALA A 76 -8.886 6.222 -11.790 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.250 5.090 -13.211 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.934 2.800 -12.686 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.199 3.041 -12.375 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.348 2.997 -11.017 1.00 0.00 H new ATOM 1137 N GLY A 77 -11.856 6.228 -10.863 1.00 0.00 N ATOM 1138 CA GLY A 77 -13.129 6.747 -10.392 1.00 0.00 C ATOM 1139 C GLY A 77 -13.557 6.055 -9.096 1.00 0.00 C ATOM 1140 O GLY A 77 -14.724 6.114 -8.712 1.00 0.00 O ATOM 0 H GLY A 77 -11.035 6.665 -10.443 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.049 7.821 -10.226 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.892 6.599 -11.157 1.00 0.00 H new ATOM 1144 N GLN A 78 -12.589 5.415 -8.457 1.00 0.00 N ATOM 1145 CA GLN A 78 -12.851 4.712 -7.212 1.00 0.00 C ATOM 1146 C GLN A 78 -11.821 5.109 -6.152 1.00 0.00 C ATOM 1147 O GLN A 78 -10.669 5.394 -6.477 1.00 0.00 O ATOM 1148 CB GLN A 78 -12.860 3.198 -7.429 1.00 0.00 C ATOM 1149 CG GLN A 78 -14.065 2.771 -8.268 1.00 0.00 C ATOM 1150 CD GLN A 78 -14.039 1.266 -8.541 1.00 0.00 C ATOM 1151 OE1 GLN A 78 -14.843 0.503 -8.031 1.00 0.00 O ATOM 1152 NE2 GLN A 78 -13.072 0.883 -9.370 1.00 0.00 N ATOM 0 H GLN A 78 -11.622 5.368 -8.778 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.840 5.000 -6.855 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.940 2.893 -7.927 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.885 2.689 -6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.986 3.034 -7.748 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.066 3.315 -9.212 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.432 1.574 -9.762 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -12.970 -0.102 -9.614 1.00 0.00 H new ATOM 1161 N VAL A 79 -12.273 5.114 -4.907 1.00 0.00 N ATOM 1162 CA VAL A 79 -11.405 5.470 -3.797 1.00 0.00 C ATOM 1163 C VAL A 79 -10.548 4.261 -3.416 1.00 0.00 C ATOM 1164 O VAL A 79 -11.066 3.158 -3.246 1.00 0.00 O ATOM 1165 CB VAL A 79 -12.239 6.003 -2.631 1.00 0.00 C ATOM 1166 CG1 VAL A 79 -11.371 6.216 -1.388 1.00 0.00 C ATOM 1167 CG2 VAL A 79 -12.965 7.292 -3.020 1.00 0.00 C ATOM 0 H VAL A 79 -13.229 4.877 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.725 6.271 -4.086 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.993 5.254 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.988 6.595 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.921 5.268 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.584 6.936 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.551 7.650 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -12.234 8.050 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.628 7.096 -3.863 1.00 0.00 H new ATOM 1177 N LEU A 80 -9.252 4.509 -3.295 1.00 0.00 N ATOM 1178 CA LEU A 80 -8.319 3.454 -2.937 1.00 0.00 C ATOM 1179 C LEU A 80 -8.145 3.426 -1.418 1.00 0.00 C ATOM 1180 O LEU A 80 -7.769 4.431 -0.814 1.00 0.00 O ATOM 1181 CB LEU A 80 -7.006 3.618 -3.704 1.00 0.00 C ATOM 1182 CG LEU A 80 -7.127 3.732 -5.225 1.00 0.00 C ATOM 1183 CD1 LEU A 80 -5.757 3.954 -5.869 1.00 0.00 C ATOM 1184 CD2 LEU A 80 -7.845 2.515 -5.811 1.00 0.00 C ATOM 0 H LEU A 80 -8.826 5.425 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.713 2.481 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.500 4.509 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.365 2.767 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.736 4.606 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.871 4.032 -6.950 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.319 4.875 -5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.103 3.114 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.918 2.622 -6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.284 1.612 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.846 2.443 -5.386 1.00 0.00 H new ATOM 1196 N ASP A 81 -8.425 2.266 -0.842 1.00 0.00 N ATOM 1197 CA ASP A 81 -8.304 2.095 0.595 1.00 0.00 C ATOM 1198 C ASP A 81 -6.895 1.601 0.929 1.00 0.00 C ATOM 1199 O ASP A 81 -6.600 0.415 0.790 1.00 0.00 O ATOM 1200 CB ASP A 81 -9.303 1.059 1.113 1.00 0.00 C ATOM 1201 CG ASP A 81 -10.315 1.588 2.131 1.00 0.00 C ATOM 1202 OD1 ASP A 81 -10.312 2.819 2.346 1.00 0.00 O ATOM 1203 OD2 ASP A 81 -11.068 0.750 2.671 1.00 0.00 O ATOM 0 H ASP A 81 -8.736 1.435 -1.345 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.505 3.057 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.847 0.645 0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.749 0.238 1.567 1.00 0.00 H new ATOM 1208 N ILE A 82 -6.061 2.536 1.362 1.00 0.00 N ATOM 1209 CA ILE A 82 -4.690 2.210 1.716 1.00 0.00 C ATOM 1210 C ILE A 82 -4.493 2.420 3.219 1.00 0.00 C ATOM 1211 O ILE A 82 -5.146 3.270 3.822 1.00 0.00 O ATOM 1212 CB ILE A 82 -3.710 3.004 0.850 1.00 0.00 C ATOM 1213 CG1 ILE A 82 -4.199 3.085 -0.597 1.00 0.00 C ATOM 1214 CG2 ILE A 82 -2.298 2.423 0.947 1.00 0.00 C ATOM 1215 CD1 ILE A 82 -3.090 3.588 -1.523 1.00 0.00 C ATOM 0 H ILE A 82 -6.309 3.519 1.476 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.482 1.160 1.510 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.665 4.024 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.535 2.102 -0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.059 3.752 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.621 3.006 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.959 2.461 1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.306 1.388 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.464 3.636 -2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.773 4.581 -1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.241 2.905 -1.479 1.00 0.00 H new ATOM 1227 N ASN A 83 -3.589 1.631 3.781 1.00 0.00 N ATOM 1228 CA ASN A 83 -3.297 1.720 5.201 1.00 0.00 C ATOM 1229 C ASN A 83 -1.975 1.006 5.492 1.00 0.00 C ATOM 1230 O ASN A 83 -1.677 -0.025 4.890 1.00 0.00 O ATOM 1231 CB ASN A 83 -4.391 1.045 6.031 1.00 0.00 C ATOM 1232 CG ASN A 83 -4.640 -0.386 5.551 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -5.489 -0.649 4.716 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -3.854 -1.293 6.124 1.00 0.00 N ATOM 0 H ASN A 83 -3.049 0.927 3.278 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.240 2.775 5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.101 1.035 7.082 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.313 1.621 5.961 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.942 -2.277 5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.163 -1.004 6.817 1.00 0.00 H new ATOM 1241 N LEU A 84 -1.218 1.582 6.413 1.00 0.00 N ATOM 1242 CA LEU A 84 0.065 1.014 6.791 1.00 0.00 C ATOM 1243 C LEU A 84 -0.151 -0.391 7.358 1.00 0.00 C ATOM 1244 O LEU A 84 -0.980 -0.584 8.246 1.00 0.00 O ATOM 1245 CB LEU A 84 0.808 1.954 7.742 1.00 0.00 C ATOM 1246 CG LEU A 84 2.006 2.698 7.150 1.00 0.00 C ATOM 1247 CD1 LEU A 84 2.233 4.030 7.867 1.00 0.00 C ATOM 1248 CD2 LEU A 84 3.258 1.820 7.162 1.00 0.00 C ATOM 0 H LEU A 84 -1.468 2.437 6.909 1.00 0.00 H new ATOM 0 HA LEU A 84 0.708 0.910 5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.099 2.691 8.120 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.153 1.374 8.598 1.00 0.00 H new ATOM 0 HG LEU A 84 1.784 2.927 6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.091 4.539 7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.347 4.656 7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.424 3.846 8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.095 2.373 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.495 1.538 8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.078 0.922 6.571 1.00 0.00 H new ATOM 1260 N ALA A 85 0.608 -1.334 6.821 1.00 0.00 N ATOM 1261 CA ALA A 85 0.510 -2.715 7.262 1.00 0.00 C ATOM 1262 C ALA A 85 0.946 -2.810 8.726 1.00 0.00 C ATOM 1263 O ALA A 85 2.062 -3.236 9.019 1.00 0.00 O ATOM 1264 CB ALA A 85 1.350 -3.605 6.345 1.00 0.00 C ATOM 0 H ALA A 85 1.294 -1.169 6.084 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.520 -3.065 7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.276 -4.641 6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.982 -3.524 5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.391 -3.285 6.382 1.00 0.00 H new ATOM 1270 N ALA A 86 0.042 -2.407 9.607 1.00 0.00 N ATOM 1271 CA ALA A 86 0.319 -2.441 11.033 1.00 0.00 C ATOM 1272 C ALA A 86 -0.974 -2.173 11.806 1.00 0.00 C ATOM 1273 O ALA A 86 -1.579 -3.095 12.350 1.00 0.00 O ATOM 1274 CB ALA A 86 1.417 -1.429 11.364 1.00 0.00 C ATOM 0 H ALA A 86 -0.883 -2.055 9.361 1.00 0.00 H new ATOM 0 HA ALA A 86 0.682 -3.425 11.330 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.625 -1.454 12.434 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.323 -1.681 10.812 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.087 -0.429 11.082 1.00 0.00 H new ATOM 1280 N GLU A 87 -1.359 -0.905 11.829 1.00 0.00 N ATOM 1281 CA GLU A 87 -2.570 -0.504 12.526 1.00 0.00 C ATOM 1282 C GLU A 87 -3.730 -0.364 11.539 1.00 0.00 C ATOM 1283 O GLU A 87 -3.662 0.435 10.606 1.00 0.00 O ATOM 1284 CB GLU A 87 -2.350 0.796 13.302 1.00 0.00 C ATOM 1285 CG GLU A 87 -2.109 1.969 12.350 1.00 0.00 C ATOM 1286 CD GLU A 87 -0.898 2.794 12.791 1.00 0.00 C ATOM 1287 OE1 GLU A 87 0.044 2.175 13.330 1.00 0.00 O ATOM 1288 OE2 GLU A 87 -0.943 4.025 12.579 1.00 0.00 O ATOM 0 H GLU A 87 -0.854 -0.143 11.377 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.825 -1.281 13.247 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.219 1.002 13.926 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.496 0.684 13.971 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.949 1.594 11.339 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.994 2.604 12.319 1.00 0.00 H new ATOM 1295 N PRO A 88 -4.794 -1.174 11.784 1.00 0.00 N ATOM 1296 CA PRO A 88 -5.967 -1.148 10.927 1.00 0.00 C ATOM 1297 C PRO A 88 -6.812 0.100 11.192 1.00 0.00 C ATOM 1298 O PRO A 88 -7.076 0.442 12.343 1.00 0.00 O ATOM 1299 CB PRO A 88 -6.706 -2.441 11.231 1.00 0.00 C ATOM 1300 CG PRO A 88 -6.172 -2.920 12.572 1.00 0.00 C ATOM 1301 CD PRO A 88 -4.909 -2.133 12.878 1.00 0.00 C ATOM 0 HA PRO A 88 -5.713 -1.090 9.869 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.782 -2.275 11.276 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.530 -3.184 10.453 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.915 -2.769 13.355 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.957 -3.988 12.538 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.981 -1.628 13.841 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.038 -2.786 12.925 1.00 0.00 H new ATOM 1309 N LYS A 89 -7.213 0.745 10.106 1.00 0.00 N ATOM 1310 CA LYS A 89 -8.022 1.948 10.207 1.00 0.00 C ATOM 1311 C LYS A 89 -9.502 1.560 10.240 1.00 0.00 C ATOM 1312 O LYS A 89 -10.314 2.134 9.515 1.00 0.00 O ATOM 1313 CB LYS A 89 -7.668 2.928 9.087 1.00 0.00 C ATOM 1314 CG LYS A 89 -6.934 4.151 9.640 1.00 0.00 C ATOM 1315 CD LYS A 89 -6.611 5.147 8.524 1.00 0.00 C ATOM 1316 CE LYS A 89 -6.606 6.582 9.056 1.00 0.00 C ATOM 1317 NZ LYS A 89 -5.721 7.436 8.233 1.00 0.00 N ATOM 0 H LYS A 89 -6.993 0.457 9.152 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.808 2.474 11.138 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.043 2.429 8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.577 3.245 8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.548 4.636 10.399 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.012 3.836 10.129 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.638 4.912 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.346 5.054 7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.619 6.983 9.047 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.269 6.591 10.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.729 8.406 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.751 7.061 8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.060 7.441 7.250 1.00 0.00 H new ATOM 1331 N VAL A 90 -9.808 0.589 11.087 1.00 0.00 N ATOM 1332 CA VAL A 90 -11.175 0.117 11.224 1.00 0.00 C ATOM 1333 C VAL A 90 -11.737 0.578 12.570 1.00 0.00 C ATOM 1334 O VAL A 90 -11.089 0.421 13.604 1.00 0.00 O ATOM 1335 CB VAL A 90 -11.226 -1.401 11.043 1.00 0.00 C ATOM 1336 CG1 VAL A 90 -12.473 -1.991 11.706 1.00 0.00 C ATOM 1337 CG2 VAL A 90 -11.161 -1.780 9.562 1.00 0.00 C ATOM 0 H VAL A 90 -9.132 0.116 11.686 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.806 0.545 10.445 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.352 -1.826 11.536 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.485 -3.071 11.562 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.459 -1.767 12.773 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.365 -1.556 11.256 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.199 -2.865 9.462 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.007 -1.337 9.036 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.231 -1.408 9.132 1.00 0.00 H new ATOM 1347 N ASN A 91 -12.936 1.138 12.514 1.00 0.00 N ATOM 1348 CA ASN A 91 -13.593 1.623 13.717 1.00 0.00 C ATOM 1349 C ASN A 91 -13.424 0.593 14.835 1.00 0.00 C ATOM 1350 O ASN A 91 -12.931 0.918 15.914 1.00 0.00 O ATOM 1351 CB ASN A 91 -15.091 1.827 13.483 1.00 0.00 C ATOM 1352 CG ASN A 91 -15.685 2.774 14.527 1.00 0.00 C ATOM 1353 OD1 ASN A 91 -14.983 3.439 15.270 1.00 0.00 O ATOM 1354 ND2 ASN A 91 -17.015 2.797 14.541 1.00 0.00 N ATOM 0 H ASN A 91 -13.470 1.267 11.655 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.138 2.576 13.989 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -15.255 2.232 12.484 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -15.603 0.866 13.525 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.508 3.397 15.202 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -17.542 2.214 13.891 1.00 0.00 H new ATOM 1361 N ARG A 92 -13.844 -0.628 14.539 1.00 0.00 N ATOM 1362 CA ARG A 92 -13.745 -1.708 15.507 1.00 0.00 C ATOM 1363 C ARG A 92 -14.744 -1.493 16.646 1.00 0.00 C ATOM 1364 O ARG A 92 -15.673 -2.280 16.819 1.00 0.00 O ATOM 1365 CB ARG A 92 -12.333 -1.801 16.087 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.708 -3.167 15.792 1.00 0.00 C ATOM 1367 CD ARG A 92 -10.428 -3.371 16.604 1.00 0.00 C ATOM 1368 NE ARG A 92 -9.852 -4.703 16.316 1.00 0.00 N ATOM 1369 CZ ARG A 92 -8.607 -5.071 16.647 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -7.800 -4.210 17.280 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -8.169 -6.301 16.345 1.00 0.00 N ATOM 0 H ARG A 92 -14.253 -0.894 13.643 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.974 -2.639 14.989 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.710 -1.013 15.664 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.367 -1.637 17.164 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.422 -3.956 16.028 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.485 -3.247 14.728 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.705 -2.593 16.360 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.645 -3.282 17.668 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.440 -5.384 15.835 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.133 -3.274 17.510 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.852 -4.490 17.532 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.783 -6.957 15.863 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.221 -6.581 16.597 1.00 0.00 H new ATOM 1385 N SER A 93 -14.518 -0.422 17.393 1.00 0.00 N ATOM 1386 CA SER A 93 -15.386 -0.093 18.511 1.00 0.00 C ATOM 1387 C SER A 93 -15.134 -1.058 19.671 1.00 0.00 C ATOM 1388 O SER A 93 -14.574 -0.670 20.696 1.00 0.00 O ATOM 1389 CB SER A 93 -16.858 -0.135 18.096 1.00 0.00 C ATOM 1390 OG SER A 93 -17.499 1.125 18.274 1.00 0.00 O ATOM 0 H SER A 93 -13.747 0.229 17.246 1.00 0.00 H new ATOM 0 HA SER A 93 -15.156 0.922 18.835 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.931 -0.435 17.051 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.378 -0.893 18.682 1.00 0.00 H new ATOM 0 HG SER A 93 -18.436 1.057 17.996 1.00 0.00 H new ATOM 1396 N GLY A 94 -15.559 -2.297 19.472 1.00 0.00 N ATOM 1397 CA GLY A 94 -15.386 -3.320 20.488 1.00 0.00 C ATOM 1398 C GLY A 94 -16.101 -4.613 20.092 1.00 0.00 C ATOM 1399 O GLY A 94 -16.996 -4.599 19.249 1.00 0.00 O ATOM 0 H GLY A 94 -16.023 -2.615 18.621 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.324 -3.517 20.633 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.777 -2.961 21.440 1.00 0.00 H new ATOM 1403 N PRO A 95 -15.668 -5.730 20.737 1.00 0.00 N ATOM 1404 CA PRO A 95 -16.258 -7.029 20.460 1.00 0.00 C ATOM 1405 C PRO A 95 -17.640 -7.152 21.103 1.00 0.00 C ATOM 1406 O PRO A 95 -17.751 -7.399 22.303 1.00 0.00 O ATOM 1407 CB PRO A 95 -15.258 -8.038 21.003 1.00 0.00 C ATOM 1408 CG PRO A 95 -14.375 -7.270 21.972 1.00 0.00 C ATOM 1409 CD PRO A 95 -14.611 -5.786 21.742 1.00 0.00 C ATOM 0 HA PRO A 95 -16.433 -7.194 19.397 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.767 -8.860 21.506 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.667 -8.474 20.198 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.613 -7.539 23.001 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.326 -7.519 21.812 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.913 -5.286 22.662 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.705 -5.291 21.392 1.00 0.00 H new ATOM 1417 N SER A 96 -18.660 -6.974 20.276 1.00 0.00 N ATOM 1418 CA SER A 96 -20.031 -7.062 20.749 1.00 0.00 C ATOM 1419 C SER A 96 -20.764 -8.192 20.023 1.00 0.00 C ATOM 1420 O SER A 96 -20.524 -8.433 18.841 1.00 0.00 O ATOM 1421 CB SER A 96 -20.769 -5.737 20.549 1.00 0.00 C ATOM 1422 OG SER A 96 -21.696 -5.478 21.600 1.00 0.00 O ATOM 0 H SER A 96 -18.564 -6.769 19.281 1.00 0.00 H new ATOM 0 HA SER A 96 -20.010 -7.278 21.817 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.045 -4.924 20.495 1.00 0.00 H new ATOM 0 HB3 SER A 96 -21.298 -5.757 19.596 1.00 0.00 H new ATOM 0 HG SER A 96 -22.145 -4.623 21.436 1.00 0.00 H new ATOM 1428 N SER A 97 -21.642 -8.855 20.761 1.00 0.00 N ATOM 1429 CA SER A 97 -22.411 -9.954 20.202 1.00 0.00 C ATOM 1430 C SER A 97 -23.886 -9.806 20.582 1.00 0.00 C ATOM 1431 O SER A 97 -24.207 -9.426 21.707 1.00 0.00 O ATOM 1432 CB SER A 97 -21.872 -11.303 20.682 1.00 0.00 C ATOM 1433 OG SER A 97 -22.563 -12.397 20.084 1.00 0.00 O ATOM 0 H SER A 97 -21.838 -8.652 21.741 1.00 0.00 H new ATOM 0 HA SER A 97 -22.317 -9.921 19.117 1.00 0.00 H new ATOM 0 HB2 SER A 97 -20.810 -11.373 20.448 1.00 0.00 H new ATOM 0 HB3 SER A 97 -21.964 -11.365 21.766 1.00 0.00 H new ATOM 0 HG SER A 97 -22.189 -13.240 20.414 1.00 0.00 H new ATOM 1439 N GLY A 98 -24.745 -10.114 19.621 1.00 0.00 N ATOM 1440 CA GLY A 98 -26.178 -10.021 19.840 1.00 0.00 C ATOM 1441 C GLY A 98 -26.910 -9.680 18.540 1.00 0.00 C ATOM 1442 O GLY A 98 -27.147 -10.554 17.709 1.00 0.00 O ATOM 0 H GLY A 98 -24.476 -10.428 18.689 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -26.551 -10.966 20.235 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -26.386 -9.258 20.590 1.00 0.00 H new TER 1446 GLY A 98