USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 747 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 95 TYR OH : rot -38:sc= 1.25 USER MOD Set 1.2: A 99 GLN : amide:sc= 1.05 K(o=2.3,f=-1.1) USER MOD Set 2.1: A 50 MET CE :methyl -153:sc= -0.0406 (180deg=-0.0697) USER MOD Set 2.2: A 76 THR OG1 : rot 60:sc= 1.19 USER MOD Set 3.1: A 45 ASN : amide:sc= 0.0835 K(o=0.17,f=-0.39) USER MOD Set 3.2: A 51 LYS NZ :NH3+ 176:sc= 0.0845 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.24 (180deg=0.889) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 0.598 (180deg=0.594) USER MOD Single : A 23 ASN : amide:sc= 0.633 K(o=0.63,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0504 X(o=-0.05,f=0) USER MOD Single : A 31 ASN : amide:sc= 0.0711 X(o=0.071,f=-0.34) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 165:sc= 1.68 USER MOD Single : A 47 SER OG : rot 128:sc= 1.16 USER MOD Single : A 53 HIS : no HD1:sc= -0.0445 X(o=-0.045,f=-0.5) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 63 GLN : amide:sc= 0.774 K(o=0.77,f=-7.6!) USER MOD Single : A 67 THR OG1 : rot 105:sc= 1.19 USER MOD Single : A 68 ASN : amide:sc= 0.591 K(o=0.59,f=-3.8!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -128:sc= 0.831 (180deg=-0.00206) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.218 X(o=0.22,f=-0.27) USER MOD Single : A 100 GLN : amide:sc=0.000687 K(o=0.00069,f=-1.6!) USER MOD Single : A 101 HEC O2A : rot -105:sc= 0.793 USER MOD Single : A 101 HEC O2D : rot -140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.024 1.116 2.352 1.00 0.00 N ATOM 2 CA MET A 1 2.582 0.676 1.004 1.00 0.00 C ATOM 3 C MET A 1 3.821 0.483 0.076 1.00 0.00 C ATOM 4 O MET A 1 4.227 1.398 -0.647 1.00 0.00 O ATOM 5 CB MET A 1 1.535 1.677 0.435 1.00 0.00 C ATOM 6 CG MET A 1 0.108 1.586 1.020 1.00 0.00 C ATOM 7 SD MET A 1 0.045 1.967 2.786 1.00 0.00 S ATOM 8 CE MET A 1 0.122 3.768 2.766 1.00 0.00 C ATOM 0 H1 MET A 1 2.200 1.437 2.900 1.00 0.00 H new ATOM 0 H2 MET A 1 3.479 0.321 2.845 1.00 0.00 H new ATOM 0 H3 MET A 1 3.702 1.898 2.257 1.00 0.00 H new ATOM 0 HA MET A 1 2.085 -0.292 1.067 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.907 2.689 0.597 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.472 1.529 -0.643 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.544 2.274 0.482 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.283 0.582 0.856 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.092 4.145 3.788 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.048 4.087 2.288 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.728 4.162 2.209 1.00 0.00 H new ATOM 19 N ALA A 2 4.420 -0.722 0.072 1.00 0.00 N ATOM 20 CA ALA A 2 5.651 -1.003 -0.716 1.00 0.00 C ATOM 21 C ALA A 2 5.372 -1.458 -2.190 1.00 0.00 C ATOM 22 O ALA A 2 5.559 -2.624 -2.552 1.00 0.00 O ATOM 23 CB ALA A 2 6.448 -2.025 0.123 1.00 0.00 C ATOM 0 H ALA A 2 4.077 -1.522 0.604 1.00 0.00 H new ATOM 0 HA ALA A 2 6.233 -0.095 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.372 -2.281 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.686 -1.592 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.850 -2.925 0.264 1.00 0.00 H new ATOM 29 N ASP A 3 4.947 -0.513 -3.051 1.00 0.00 N ATOM 30 CA ASP A 3 4.638 -0.792 -4.481 1.00 0.00 C ATOM 31 C ASP A 3 5.748 -0.190 -5.424 1.00 0.00 C ATOM 32 O ASP A 3 5.772 1.037 -5.593 1.00 0.00 O ATOM 33 CB ASP A 3 3.210 -0.267 -4.790 1.00 0.00 C ATOM 34 CG ASP A 3 2.678 -0.698 -6.159 1.00 0.00 C ATOM 35 OD1 ASP A 3 3.032 -0.176 -7.213 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.795 -1.737 -6.073 1.00 0.00 O ATOM 0 H ASP A 3 4.807 0.461 -2.784 1.00 0.00 H new ATOM 0 HA ASP A 3 4.647 -1.865 -4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.527 -0.621 -4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.214 0.822 -4.738 1.00 0.00 H new ATOM 41 N PRO A 4 6.640 -0.983 -6.091 1.00 0.00 N ATOM 42 CA PRO A 4 7.676 -0.429 -7.010 1.00 0.00 C ATOM 43 C PRO A 4 7.210 0.172 -8.380 1.00 0.00 C ATOM 44 O PRO A 4 7.849 1.107 -8.868 1.00 0.00 O ATOM 45 CB PRO A 4 8.671 -1.599 -7.132 1.00 0.00 C ATOM 46 CG PRO A 4 7.897 -2.873 -6.800 1.00 0.00 C ATOM 47 CD PRO A 4 6.758 -2.440 -5.881 1.00 0.00 C ATOM 0 HA PRO A 4 8.100 0.486 -6.597 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.086 -1.650 -8.139 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.509 -1.467 -6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.512 -3.344 -7.705 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.539 -3.604 -6.309 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.830 -2.953 -6.132 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.979 -2.673 -4.839 1.00 0.00 H new ATOM 55 N ALA A 5 6.101 -0.305 -8.980 1.00 0.00 N ATOM 56 CA ALA A 5 5.454 0.363 -10.147 1.00 0.00 C ATOM 57 C ALA A 5 4.926 1.817 -9.889 1.00 0.00 C ATOM 58 O ALA A 5 5.270 2.734 -10.640 1.00 0.00 O ATOM 59 CB ALA A 5 4.360 -0.592 -10.661 1.00 0.00 C ATOM 0 H ALA A 5 5.626 -1.156 -8.679 1.00 0.00 H new ATOM 0 HA ALA A 5 6.215 0.537 -10.908 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.858 -0.143 -11.518 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.813 -1.537 -10.960 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.633 -0.773 -9.869 1.00 0.00 H new ATOM 65 N ALA A 6 4.173 2.051 -8.795 1.00 0.00 N ATOM 66 CA ALA A 6 3.939 3.416 -8.249 1.00 0.00 C ATOM 67 C ALA A 6 5.210 4.248 -7.858 1.00 0.00 C ATOM 68 O ALA A 6 5.253 5.451 -8.123 1.00 0.00 O ATOM 69 CB ALA A 6 2.987 3.240 -7.051 1.00 0.00 C ATOM 0 H ALA A 6 3.711 1.312 -8.265 1.00 0.00 H new ATOM 0 HA ALA A 6 3.516 4.023 -9.049 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.778 4.213 -6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.055 2.788 -7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.454 2.594 -6.307 1.00 0.00 H new ATOM 75 N GLY A 7 6.265 3.630 -7.296 1.00 0.00 N ATOM 76 CA GLY A 7 7.587 4.296 -7.135 1.00 0.00 C ATOM 77 C GLY A 7 8.326 4.770 -8.411 1.00 0.00 C ATOM 78 O GLY A 7 8.975 5.816 -8.374 1.00 0.00 O ATOM 0 H GLY A 7 6.236 2.673 -6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.447 5.163 -6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.245 3.607 -6.605 1.00 0.00 H new ATOM 82 N GLU A 8 8.197 4.046 -9.537 1.00 0.00 N ATOM 83 CA GLU A 8 8.622 4.536 -10.878 1.00 0.00 C ATOM 84 C GLU A 8 7.905 5.830 -11.392 1.00 0.00 C ATOM 85 O GLU A 8 8.587 6.653 -12.011 1.00 0.00 O ATOM 86 CB GLU A 8 8.527 3.358 -11.887 1.00 0.00 C ATOM 87 CG GLU A 8 9.313 3.540 -13.216 1.00 0.00 C ATOM 88 CD GLU A 8 8.539 4.120 -14.404 1.00 0.00 C ATOM 89 OE1 GLU A 8 8.441 5.483 -14.366 1.00 0.00 O ATOM 90 OE2 GLU A 8 8.082 3.421 -15.304 1.00 0.00 O ATOM 0 H GLU A 8 7.798 3.107 -9.553 1.00 0.00 H new ATOM 0 HA GLU A 8 9.655 4.871 -10.779 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.886 2.454 -11.396 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.477 3.194 -12.128 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.168 4.187 -13.019 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.710 2.569 -13.511 1.00 0.00 H new ATOM 97 N LYS A 9 6.585 6.027 -11.170 1.00 0.00 N ATOM 98 CA LYS A 9 5.936 7.361 -11.376 1.00 0.00 C ATOM 99 C LYS A 9 6.392 8.483 -10.380 1.00 0.00 C ATOM 100 O LYS A 9 6.692 9.599 -10.813 1.00 0.00 O ATOM 101 CB LYS A 9 4.393 7.237 -11.543 1.00 0.00 C ATOM 102 CG LYS A 9 3.494 7.069 -10.297 1.00 0.00 C ATOM 103 CD LYS A 9 1.988 7.135 -10.635 1.00 0.00 C ATOM 104 CE LYS A 9 1.049 7.174 -9.415 1.00 0.00 C ATOM 105 NZ LYS A 9 1.011 5.889 -8.691 1.00 0.00 N ATOM 0 H LYS A 9 5.948 5.296 -10.853 1.00 0.00 H new ATOM 0 HA LYS A 9 6.318 7.726 -12.329 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.051 8.126 -12.072 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.205 6.385 -12.196 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.714 6.113 -9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.734 7.848 -9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.806 8.021 -11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.730 6.270 -11.246 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.374 7.961 -8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.042 7.432 -9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.366 5.967 -7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.675 5.140 -9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.966 5.653 -8.353 1.00 0.00 H new ATOM 118 N VAL A 10 6.510 8.178 -9.071 1.00 0.00 N ATOM 119 CA VAL A 10 7.102 9.105 -8.052 1.00 0.00 C ATOM 120 C VAL A 10 8.601 9.506 -8.330 1.00 0.00 C ATOM 121 O VAL A 10 8.958 10.663 -8.084 1.00 0.00 O ATOM 122 CB VAL A 10 6.862 8.545 -6.605 1.00 0.00 C ATOM 123 CG1 VAL A 10 7.396 9.476 -5.490 1.00 0.00 C ATOM 124 CG2 VAL A 10 5.373 8.277 -6.267 1.00 0.00 C ATOM 0 H VAL A 10 6.202 7.288 -8.680 1.00 0.00 H new ATOM 0 HA VAL A 10 6.571 10.053 -8.138 1.00 0.00 H new ATOM 0 HB VAL A 10 7.415 7.606 -6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.197 9.029 -4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.470 9.613 -5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.897 10.443 -5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.294 7.892 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.809 9.206 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.968 7.544 -6.965 1.00 0.00 H new ATOM 134 N PHE A 11 9.457 8.620 -8.890 1.00 0.00 N ATOM 135 CA PHE A 11 10.805 9.003 -9.411 1.00 0.00 C ATOM 136 C PHE A 11 10.857 10.166 -10.478 1.00 0.00 C ATOM 137 O PHE A 11 11.892 10.827 -10.572 1.00 0.00 O ATOM 138 CB PHE A 11 11.544 7.708 -9.877 1.00 0.00 C ATOM 139 CG PHE A 11 13.080 7.846 -9.975 1.00 0.00 C ATOM 140 CD1 PHE A 11 13.874 7.649 -8.841 1.00 0.00 C ATOM 141 CD2 PHE A 11 13.688 8.256 -11.166 1.00 0.00 C ATOM 142 CE1 PHE A 11 15.237 7.929 -8.877 1.00 0.00 C ATOM 143 CE2 PHE A 11 15.054 8.542 -11.198 1.00 0.00 C ATOM 144 CZ PHE A 11 15.824 8.400 -10.048 1.00 0.00 C ATOM 0 H PHE A 11 9.243 7.628 -8.996 1.00 0.00 H new ATOM 0 HA PHE A 11 11.332 9.468 -8.578 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.308 6.901 -9.183 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.155 7.414 -10.852 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.427 7.277 -7.931 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.098 8.352 -12.065 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.841 7.780 -7.994 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.514 8.874 -12.117 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.874 8.654 -10.064 1.00 0.00 H new ATOM 154 N GLY A 12 9.758 10.503 -11.191 1.00 0.00 N ATOM 155 CA GLY A 12 9.579 11.843 -11.835 1.00 0.00 C ATOM 156 C GLY A 12 9.924 13.137 -11.037 1.00 0.00 C ATOM 157 O GLY A 12 10.478 14.077 -11.609 1.00 0.00 O ATOM 0 H GLY A 12 8.974 9.868 -11.340 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.181 11.851 -12.743 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.536 11.919 -12.143 1.00 0.00 H new ATOM 161 N LYS A 13 9.640 13.167 -9.725 1.00 0.00 N ATOM 162 CA LYS A 13 10.169 14.211 -8.790 1.00 0.00 C ATOM 163 C LYS A 13 11.725 14.201 -8.536 1.00 0.00 C ATOM 164 O LYS A 13 12.304 15.260 -8.281 1.00 0.00 O ATOM 165 CB LYS A 13 9.400 14.081 -7.441 1.00 0.00 C ATOM 166 CG LYS A 13 7.888 14.419 -7.489 1.00 0.00 C ATOM 167 CD LYS A 13 7.160 14.063 -6.180 1.00 0.00 C ATOM 168 CE LYS A 13 5.663 14.405 -6.232 1.00 0.00 C ATOM 169 NZ LYS A 13 4.986 13.936 -5.006 1.00 0.00 N ATOM 0 H LYS A 13 9.041 12.478 -9.270 1.00 0.00 H new ATOM 0 HA LYS A 13 9.998 15.169 -9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.513 13.060 -7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.876 14.734 -6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.764 15.483 -7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.425 13.880 -8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.280 12.999 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.624 14.599 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.533 15.482 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.207 13.941 -7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.975 14.174 -5.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.095 12.905 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.410 14.398 -4.177 1.00 0.00 H new ATOM 182 N CYS A 14 12.387 13.030 -8.577 1.00 0.00 N ATOM 183 CA CYS A 14 13.861 12.899 -8.408 1.00 0.00 C ATOM 184 C CYS A 14 14.720 12.967 -9.728 1.00 0.00 C ATOM 185 O CYS A 14 15.845 13.475 -9.690 1.00 0.00 O ATOM 186 CB CYS A 14 14.097 11.575 -7.637 1.00 0.00 C ATOM 187 SG CYS A 14 12.912 11.266 -6.286 1.00 0.00 S ATOM 0 H CYS A 14 11.918 12.137 -8.729 1.00 0.00 H new ATOM 0 HA CYS A 14 14.214 13.773 -7.860 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.049 10.745 -8.342 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.106 11.585 -7.224 1.00 0.00 H new ATOM 192 N LYS A 15 14.212 12.458 -10.875 1.00 0.00 N ATOM 193 CA LYS A 15 14.974 12.298 -12.154 1.00 0.00 C ATOM 194 C LYS A 15 15.686 13.523 -12.808 1.00 0.00 C ATOM 195 O LYS A 15 16.737 13.341 -13.426 1.00 0.00 O ATOM 196 CB LYS A 15 14.097 11.520 -13.180 1.00 0.00 C ATOM 197 CG LYS A 15 12.799 12.172 -13.716 1.00 0.00 C ATOM 198 CD LYS A 15 12.956 13.023 -14.990 1.00 0.00 C ATOM 199 CE LYS A 15 11.619 13.645 -15.424 1.00 0.00 C ATOM 200 NZ LYS A 15 11.808 14.460 -16.638 1.00 0.00 N ATOM 0 H LYS A 15 13.246 12.139 -10.948 1.00 0.00 H new ATOM 0 HA LYS A 15 15.853 11.738 -11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.726 11.288 -14.039 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.821 10.570 -12.722 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.074 11.383 -13.915 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.379 12.801 -12.931 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.685 13.814 -14.812 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.348 12.403 -15.796 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.889 12.859 -15.615 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.219 14.263 -14.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.898 14.876 -16.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.490 15.221 -16.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.170 13.860 -17.406 1.00 0.00 H new ATOM 213 N ALA A 16 15.152 14.753 -12.675 1.00 0.00 N ATOM 214 CA ALA A 16 15.870 15.990 -13.098 1.00 0.00 C ATOM 215 C ALA A 16 17.260 16.267 -12.423 1.00 0.00 C ATOM 216 O ALA A 16 18.169 16.779 -13.080 1.00 0.00 O ATOM 217 CB ALA A 16 14.883 17.156 -12.897 1.00 0.00 C ATOM 0 H ALA A 16 14.228 14.925 -12.280 1.00 0.00 H new ATOM 0 HA ALA A 16 16.162 15.862 -14.140 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.359 18.091 -13.193 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.996 16.991 -13.509 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.595 17.212 -11.847 1.00 0.00 H new ATOM 223 N CYS A 17 17.423 15.909 -11.137 1.00 0.00 N ATOM 224 CA CYS A 17 18.736 15.905 -10.450 1.00 0.00 C ATOM 225 C CYS A 17 19.486 14.526 -10.415 1.00 0.00 C ATOM 226 O CYS A 17 20.709 14.509 -10.581 1.00 0.00 O ATOM 227 CB CYS A 17 18.464 16.419 -9.026 1.00 0.00 C ATOM 228 SG CYS A 17 17.628 18.035 -9.015 1.00 0.00 S ATOM 0 H CYS A 17 16.650 15.613 -10.540 1.00 0.00 H new ATOM 0 HA CYS A 17 19.420 16.538 -11.016 1.00 0.00 H new ATOM 0 HB2 CYS A 17 17.851 15.693 -8.492 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.407 16.498 -8.486 1.00 0.00 H new ATOM 233 N HIS A 18 18.788 13.408 -10.137 1.00 0.00 N ATOM 234 CA HIS A 18 19.407 12.084 -9.842 1.00 0.00 C ATOM 235 C HIS A 18 19.162 11.062 -10.994 1.00 0.00 C ATOM 236 O HIS A 18 18.019 10.773 -11.359 1.00 0.00 O ATOM 237 CB HIS A 18 18.779 11.549 -8.534 1.00 0.00 C ATOM 238 CG HIS A 18 19.301 12.193 -7.255 1.00 0.00 C ATOM 239 ND1 HIS A 18 20.338 11.669 -6.526 1.00 0.00 N ATOM 240 CD2 HIS A 18 18.669 13.202 -6.529 1.00 0.00 C ATOM 241 CE1 HIS A 18 20.183 12.335 -5.347 1.00 0.00 C ATOM 242 NE2 HIS A 18 19.247 13.364 -5.264 1.00 0.00 N ATOM 0 H HIS A 18 17.769 13.390 -10.109 1.00 0.00 H new ATOM 0 HA HIS A 18 20.485 12.209 -9.742 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.700 11.695 -8.581 1.00 0.00 H new ATOM 0 HB3 HIS A 18 18.953 10.474 -8.479 1.00 0.00 H new ATOM 0 HD1 HIS A 18 21.034 10.973 -6.793 1.00 0.00 H new ATOM 0 HD2 HIS A 18 17.838 13.785 -6.896 1.00 0.00 H new ATOM 0 HE1 HIS A 18 20.779 12.068 -4.487 1.00 0.00 H new ATOM 250 N LYS A 19 20.238 10.453 -11.514 1.00 0.00 N ATOM 251 CA LYS A 19 20.140 9.425 -12.592 1.00 0.00 C ATOM 252 C LYS A 19 20.119 7.978 -12.001 1.00 0.00 C ATOM 253 O LYS A 19 20.782 7.672 -11.005 1.00 0.00 O ATOM 254 CB LYS A 19 21.334 9.598 -13.572 1.00 0.00 C ATOM 255 CG LYS A 19 21.398 10.935 -14.352 1.00 0.00 C ATOM 256 CD LYS A 19 22.775 11.166 -15.000 1.00 0.00 C ATOM 257 CE LYS A 19 22.852 12.513 -15.735 1.00 0.00 C ATOM 258 NZ LYS A 19 24.246 12.802 -16.118 1.00 0.00 N ATOM 0 H LYS A 19 21.193 10.647 -11.213 1.00 0.00 H new ATOM 0 HA LYS A 19 19.202 9.569 -13.129 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.259 9.488 -13.006 1.00 0.00 H new ATOM 0 HB3 LYS A 19 21.304 8.782 -14.294 1.00 0.00 H new ATOM 0 HG2 LYS A 19 20.629 10.940 -15.125 1.00 0.00 H new ATOM 0 HG3 LYS A 19 21.174 11.759 -13.675 1.00 0.00 H new ATOM 0 HD2 LYS A 19 23.547 11.129 -14.232 1.00 0.00 H new ATOM 0 HD3 LYS A 19 22.984 10.359 -15.702 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.220 12.488 -16.623 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.470 13.308 -15.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 24.281 13.690 -16.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.829 12.895 -15.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 24.613 12.025 -16.704 1.00 0.00 H new ATOM 271 N LEU A 20 19.401 7.055 -12.660 1.00 0.00 N ATOM 272 CA LEU A 20 19.522 5.592 -12.366 1.00 0.00 C ATOM 273 C LEU A 20 20.708 4.863 -13.084 1.00 0.00 C ATOM 274 O LEU A 20 21.226 3.892 -12.530 1.00 0.00 O ATOM 275 CB LEU A 20 18.169 4.874 -12.621 1.00 0.00 C ATOM 276 CG LEU A 20 16.985 5.282 -11.704 1.00 0.00 C ATOM 277 CD1 LEU A 20 15.680 4.663 -12.215 1.00 0.00 C ATOM 278 CD2 LEU A 20 17.180 4.888 -10.227 1.00 0.00 C ATOM 0 H LEU A 20 18.732 7.279 -13.397 1.00 0.00 H new ATOM 0 HA LEU A 20 19.774 5.528 -11.307 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.877 5.054 -13.656 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.327 3.801 -12.517 1.00 0.00 H new ATOM 0 HG LEU A 20 16.941 6.370 -11.744 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.858 4.957 -11.563 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.483 5.014 -13.228 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.769 3.577 -12.218 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.313 5.206 -9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.291 3.806 -10.151 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.074 5.373 -9.836 1.00 0.00 H new ATOM 290 N ASP A 21 21.178 5.292 -14.272 1.00 0.00 N ATOM 291 CA ASP A 21 22.263 4.578 -15.018 1.00 0.00 C ATOM 292 C ASP A 21 23.712 4.912 -14.505 1.00 0.00 C ATOM 293 O ASP A 21 24.551 5.436 -15.243 1.00 0.00 O ATOM 294 CB ASP A 21 22.071 4.845 -16.539 1.00 0.00 C ATOM 295 CG ASP A 21 20.803 4.257 -17.161 1.00 0.00 C ATOM 296 OD1 ASP A 21 20.936 2.936 -17.459 1.00 0.00 O ATOM 297 OD2 ASP A 21 19.779 4.903 -17.359 1.00 0.00 O ATOM 0 H ASP A 21 20.832 6.127 -14.745 1.00 0.00 H new ATOM 0 HA ASP A 21 22.172 3.509 -14.828 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.068 5.923 -16.702 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.934 4.445 -17.071 1.00 0.00 H new ATOM 302 N GLY A 22 24.006 4.590 -13.228 1.00 0.00 N ATOM 303 CA GLY A 22 25.374 4.700 -12.635 1.00 0.00 C ATOM 304 C GLY A 22 26.126 6.059 -12.547 1.00 0.00 C ATOM 305 O GLY A 22 27.316 6.054 -12.231 1.00 0.00 O ATOM 0 H GLY A 22 23.307 4.245 -12.570 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.309 4.310 -11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.016 4.021 -13.196 1.00 0.00 H new ATOM 309 N ASN A 23 25.465 7.194 -12.823 1.00 0.00 N ATOM 310 CA ASN A 23 26.124 8.524 -12.969 1.00 0.00 C ATOM 311 C ASN A 23 25.455 9.626 -12.082 1.00 0.00 C ATOM 312 O ASN A 23 24.271 9.575 -11.736 1.00 0.00 O ATOM 313 CB ASN A 23 26.074 8.919 -14.477 1.00 0.00 C ATOM 314 CG ASN A 23 27.117 8.234 -15.365 1.00 0.00 C ATOM 315 OD1 ASN A 23 28.246 8.692 -15.495 1.00 0.00 O ATOM 316 ND2 ASN A 23 26.796 7.134 -16.002 1.00 0.00 N ATOM 0 H ASN A 23 24.454 7.227 -12.954 1.00 0.00 H new ATOM 0 HA ASN A 23 27.155 8.449 -12.623 1.00 0.00 H new ATOM 0 HB2 ASN A 23 25.082 8.687 -14.864 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.204 9.998 -14.558 1.00 0.00 H new ATOM 0 HD21 ASN A 23 27.483 6.670 -16.597 1.00 0.00 H new ATOM 0 HD22 ASN A 23 25.860 6.742 -15.903 1.00 0.00 H new ATOM 323 N ASP A 24 26.220 10.682 -11.766 1.00 0.00 N ATOM 324 CA ASP A 24 25.664 11.940 -11.196 1.00 0.00 C ATOM 325 C ASP A 24 25.042 12.877 -12.295 1.00 0.00 C ATOM 326 O ASP A 24 25.539 12.977 -13.422 1.00 0.00 O ATOM 327 CB ASP A 24 26.830 12.593 -10.399 1.00 0.00 C ATOM 328 CG ASP A 24 26.547 13.990 -9.849 1.00 0.00 C ATOM 329 OD1 ASP A 24 25.843 14.205 -8.874 1.00 0.00 O ATOM 330 OD2 ASP A 24 27.087 14.968 -10.626 1.00 0.00 O ATOM 0 H ASP A 24 27.232 10.699 -11.893 1.00 0.00 H new ATOM 0 HA ASP A 24 24.820 11.742 -10.535 1.00 0.00 H new ATOM 0 HB2 ASP A 24 27.089 11.939 -9.566 1.00 0.00 H new ATOM 0 HB3 ASP A 24 27.705 12.647 -11.047 1.00 0.00 H new ATOM 335 N GLY A 25 24.000 13.625 -11.897 1.00 0.00 N ATOM 336 CA GLY A 25 23.605 14.881 -12.593 1.00 0.00 C ATOM 337 C GLY A 25 23.860 16.106 -11.689 1.00 0.00 C ATOM 338 O GLY A 25 25.004 16.534 -11.513 1.00 0.00 O ATOM 0 H GLY A 25 23.410 13.390 -11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 25 24.169 14.982 -13.520 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.550 14.836 -12.865 1.00 0.00 H new ATOM 342 N VAL A 26 22.797 16.620 -11.058 1.00 0.00 N ATOM 343 CA VAL A 26 22.927 17.500 -9.848 1.00 0.00 C ATOM 344 C VAL A 26 23.179 16.636 -8.560 1.00 0.00 C ATOM 345 O VAL A 26 24.136 16.910 -7.832 1.00 0.00 O ATOM 346 CB VAL A 26 21.723 18.503 -9.728 1.00 0.00 C ATOM 347 CG1 VAL A 26 21.828 19.457 -8.515 1.00 0.00 C ATOM 348 CG2 VAL A 26 21.514 19.389 -10.980 1.00 0.00 C ATOM 0 H VAL A 26 21.834 16.454 -11.349 1.00 0.00 H new ATOM 0 HA VAL A 26 23.807 18.133 -9.963 1.00 0.00 H new ATOM 0 HB VAL A 26 20.872 17.833 -9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.963 20.120 -8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.857 18.874 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.738 20.051 -8.597 1.00 0.00 H new ATOM 0 HG21 VAL A 26 20.665 20.053 -10.818 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.410 19.983 -11.159 1.00 0.00 H new ATOM 0 HG23 VAL A 26 21.319 18.756 -11.846 1.00 0.00 H new ATOM 358 N GLY A 27 22.343 15.613 -8.289 1.00 0.00 N ATOM 359 CA GLY A 27 22.603 14.634 -7.206 1.00 0.00 C ATOM 360 C GLY A 27 23.222 13.281 -7.673 1.00 0.00 C ATOM 361 O GLY A 27 23.034 12.897 -8.837 1.00 0.00 O ATOM 0 H GLY A 27 21.480 15.441 -8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.273 15.090 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.665 14.428 -6.690 1.00 0.00 H new ATOM 365 N PRO A 28 23.947 12.505 -6.813 1.00 0.00 N ATOM 366 CA PRO A 28 24.613 11.242 -7.236 1.00 0.00 C ATOM 367 C PRO A 28 23.634 10.032 -7.366 1.00 0.00 C ATOM 368 O PRO A 28 22.610 9.970 -6.678 1.00 0.00 O ATOM 369 CB PRO A 28 25.669 11.081 -6.127 1.00 0.00 C ATOM 370 CG PRO A 28 25.032 11.685 -4.876 1.00 0.00 C ATOM 371 CD PRO A 28 24.199 12.853 -5.400 1.00 0.00 C ATOM 0 HA PRO A 28 25.036 11.276 -8.240 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.921 10.032 -5.973 1.00 0.00 H new ATOM 0 HB3 PRO A 28 26.594 11.597 -6.386 1.00 0.00 H new ATOM 0 HG2 PRO A 28 24.411 10.956 -4.355 1.00 0.00 H new ATOM 0 HG3 PRO A 28 25.789 12.023 -4.168 1.00 0.00 H new ATOM 0 HD2 PRO A 28 23.268 12.961 -4.843 1.00 0.00 H new ATOM 0 HD3 PRO A 28 24.735 13.798 -5.311 1.00 0.00 H new ATOM 379 N HIS A 29 23.948 9.072 -8.254 1.00 0.00 N ATOM 380 CA HIS A 29 22.990 8.009 -8.691 1.00 0.00 C ATOM 381 C HIS A 29 22.146 7.280 -7.590 1.00 0.00 C ATOM 382 O HIS A 29 22.695 6.752 -6.618 1.00 0.00 O ATOM 383 CB HIS A 29 23.698 6.973 -9.614 1.00 0.00 C ATOM 384 CG HIS A 29 24.800 6.086 -9.019 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.051 6.560 -8.644 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.741 4.686 -8.892 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.643 5.371 -8.303 1.00 0.00 C ATOM 388 NE2 HIS A 29 25.940 4.201 -8.405 1.00 0.00 N ATOM 0 H HIS A 29 24.865 9.000 -8.694 1.00 0.00 H new ATOM 0 HA HIS A 29 22.236 8.578 -9.236 1.00 0.00 H new ATOM 0 HB2 HIS A 29 22.930 6.316 -10.023 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.130 7.519 -10.453 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.883 4.078 -9.139 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.665 5.358 -7.954 1.00 0.00 H new ATOM 0 HE2 HIS A 29 26.221 3.245 -8.185 1.00 0.00 H new ATOM 396 N LEU A 30 20.813 7.252 -7.750 1.00 0.00 N ATOM 397 CA LEU A 30 19.906 6.515 -6.808 1.00 0.00 C ATOM 398 C LEU A 30 19.701 4.990 -7.080 1.00 0.00 C ATOM 399 O LEU A 30 19.153 4.298 -6.218 1.00 0.00 O ATOM 400 CB LEU A 30 18.556 7.269 -6.673 1.00 0.00 C ATOM 401 CG LEU A 30 18.622 8.661 -6.000 1.00 0.00 C ATOM 402 CD1 LEU A 30 17.283 9.397 -6.133 1.00 0.00 C ATOM 403 CD2 LEU A 30 19.035 8.629 -4.518 1.00 0.00 C ATOM 0 H LEU A 30 20.326 7.723 -8.513 1.00 0.00 H new ATOM 0 HA LEU A 30 20.435 6.514 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.128 7.388 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 30 17.869 6.644 -6.103 1.00 0.00 H new ATOM 0 HG LEU A 30 19.407 9.195 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.355 10.373 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.044 9.529 -7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.498 8.813 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.056 9.645 -4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.316 8.036 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.025 8.183 -4.426 1.00 0.00 H new ATOM 415 N ASN A 31 20.219 4.437 -8.194 1.00 0.00 N ATOM 416 CA ASN A 31 20.484 2.983 -8.314 1.00 0.00 C ATOM 417 C ASN A 31 21.583 2.535 -7.290 1.00 0.00 C ATOM 418 O ASN A 31 22.716 3.024 -7.307 1.00 0.00 O ATOM 419 CB ASN A 31 20.856 2.705 -9.790 1.00 0.00 C ATOM 420 CG ASN A 31 21.063 1.229 -10.127 1.00 0.00 C ATOM 421 OD1 ASN A 31 20.112 0.488 -10.347 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.293 0.765 -10.122 1.00 0.00 N ATOM 0 H ASN A 31 20.464 4.973 -9.027 1.00 0.00 H new ATOM 0 HA ASN A 31 19.605 2.390 -8.061 1.00 0.00 H new ATOM 0 HB2 ASN A 31 20.069 3.103 -10.430 1.00 0.00 H new ATOM 0 HB3 ASN A 31 21.769 3.250 -10.030 1.00 0.00 H new ATOM 0 HD21 ASN A 31 22.466 -0.224 -10.303 1.00 0.00 H new ATOM 0 HD22 ASN A 31 23.075 1.394 -9.937 1.00 0.00 H new ATOM 429 N GLY A 32 21.212 1.647 -6.366 1.00 0.00 N ATOM 430 CA GLY A 32 22.119 1.221 -5.266 1.00 0.00 C ATOM 431 C GLY A 32 22.269 2.204 -4.086 1.00 0.00 C ATOM 432 O GLY A 32 23.391 2.434 -3.636 1.00 0.00 O ATOM 0 H GLY A 32 20.294 1.202 -6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.760 0.269 -4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.107 1.039 -5.688 1.00 0.00 H new ATOM 436 N VAL A 33 21.157 2.774 -3.595 1.00 0.00 N ATOM 437 CA VAL A 33 21.137 3.652 -2.383 1.00 0.00 C ATOM 438 C VAL A 33 20.604 2.961 -1.080 1.00 0.00 C ATOM 439 O VAL A 33 21.036 3.347 0.009 1.00 0.00 O ATOM 440 CB VAL A 33 20.443 5.019 -2.714 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.907 4.945 -2.864 1.00 0.00 C ATOM 442 CG2 VAL A 33 20.784 6.133 -1.697 1.00 0.00 C ATOM 0 H VAL A 33 20.238 2.647 -4.018 1.00 0.00 H new ATOM 0 HA VAL A 33 22.175 3.862 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 33 20.861 5.271 -3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.516 5.936 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.653 4.260 -3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.467 4.587 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.274 7.053 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.458 5.830 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.861 6.302 -1.690 1.00 0.00 H new ATOM 452 N VAL A 34 19.672 1.987 -1.151 1.00 0.00 N ATOM 453 CA VAL A 34 19.000 1.407 0.050 1.00 0.00 C ATOM 454 C VAL A 34 19.944 0.338 0.702 1.00 0.00 C ATOM 455 O VAL A 34 20.071 -0.790 0.215 1.00 0.00 O ATOM 456 CB VAL A 34 17.566 0.861 -0.283 1.00 0.00 C ATOM 457 CG1 VAL A 34 16.823 0.465 1.018 1.00 0.00 C ATOM 458 CG2 VAL A 34 16.647 1.851 -1.040 1.00 0.00 C ATOM 0 H VAL A 34 19.360 1.577 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 34 18.830 2.193 0.786 1.00 0.00 H new ATOM 0 HB VAL A 34 17.752 0.010 -0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.831 0.089 0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.386 -0.311 1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.729 1.338 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.680 1.382 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.506 2.749 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.107 2.119 -1.991 1.00 0.00 H new ATOM 468 N GLY A 35 20.640 0.736 1.780 1.00 0.00 N ATOM 469 CA GLY A 35 21.888 0.052 2.225 1.00 0.00 C ATOM 470 C GLY A 35 23.236 0.797 2.023 1.00 0.00 C ATOM 471 O GLY A 35 24.200 0.438 2.701 1.00 0.00 O ATOM 0 H GLY A 35 20.368 1.526 2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.786 -0.173 3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.951 -0.902 1.702 1.00 0.00 H new ATOM 475 N ARG A 36 23.344 1.795 1.122 1.00 0.00 N ATOM 476 CA ARG A 36 24.612 2.544 0.886 1.00 0.00 C ATOM 477 C ARG A 36 24.972 3.531 2.042 1.00 0.00 C ATOM 478 O ARG A 36 24.100 4.174 2.632 1.00 0.00 O ATOM 479 CB ARG A 36 24.482 3.278 -0.480 1.00 0.00 C ATOM 480 CG ARG A 36 25.757 4.013 -0.984 1.00 0.00 C ATOM 481 CD ARG A 36 25.714 4.491 -2.447 1.00 0.00 C ATOM 482 NE ARG A 36 24.832 5.680 -2.648 1.00 0.00 N ATOM 483 CZ ARG A 36 24.214 5.987 -3.791 1.00 0.00 C ATOM 484 NH1 ARG A 36 24.051 5.151 -4.782 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.738 7.187 -3.943 1.00 0.00 N ATOM 0 H ARG A 36 22.568 2.108 0.539 1.00 0.00 H new ATOM 0 HA ARG A 36 25.440 1.836 0.862 1.00 0.00 H new ATOM 0 HB2 ARG A 36 24.185 2.550 -1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.674 4.005 -0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 36 25.934 4.877 -0.343 1.00 0.00 H new ATOM 0 HG3 ARG A 36 26.611 3.346 -0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 36 26.725 4.736 -2.773 1.00 0.00 H new ATOM 0 HD3 ARG A 36 25.364 3.675 -3.080 1.00 0.00 H new ATOM 0 HE ARG A 36 24.692 6.303 -1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 36 24.406 4.198 -4.709 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.568 5.452 -5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.840 7.874 -3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.263 7.441 -4.809 1.00 0.00 H new ATOM 499 N THR A 37 26.281 3.703 2.298 1.00 0.00 N ATOM 500 CA THR A 37 26.815 4.668 3.305 1.00 0.00 C ATOM 501 C THR A 37 26.314 6.141 3.105 1.00 0.00 C ATOM 502 O THR A 37 26.216 6.633 1.973 1.00 0.00 O ATOM 503 CB THR A 37 28.374 4.554 3.295 1.00 0.00 C ATOM 504 OG1 THR A 37 28.780 3.213 3.549 1.00 0.00 O ATOM 505 CG2 THR A 37 29.111 5.391 4.355 1.00 0.00 C ATOM 0 H THR A 37 27.011 3.179 1.815 1.00 0.00 H new ATOM 0 HA THR A 37 26.426 4.401 4.287 1.00 0.00 H new ATOM 0 HB THR A 37 28.639 4.922 2.304 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.758 3.160 3.537 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.186 5.237 4.258 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.881 6.447 4.209 1.00 0.00 H new ATOM 0 HG23 THR A 37 28.789 5.083 5.350 1.00 0.00 H new ATOM 513 N VAL A 38 26.023 6.851 4.213 1.00 0.00 N ATOM 514 CA VAL A 38 25.728 8.319 4.168 1.00 0.00 C ATOM 515 C VAL A 38 27.033 9.104 3.785 1.00 0.00 C ATOM 516 O VAL A 38 28.043 9.038 4.492 1.00 0.00 O ATOM 517 CB VAL A 38 25.064 8.868 5.476 1.00 0.00 C ATOM 518 CG1 VAL A 38 24.675 10.361 5.345 1.00 0.00 C ATOM 519 CG2 VAL A 38 23.787 8.115 5.913 1.00 0.00 C ATOM 0 H VAL A 38 25.983 6.447 5.149 1.00 0.00 H new ATOM 0 HA VAL A 38 24.977 8.480 3.395 1.00 0.00 H new ATOM 0 HB VAL A 38 25.837 8.718 6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 38 24.218 10.701 6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 38 25.567 10.953 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 38 23.965 10.482 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 38 23.395 8.562 6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.037 8.183 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.027 7.068 6.096 1.00 0.00 H new ATOM 529 N ALA A 39 26.997 9.781 2.621 1.00 0.00 N ATOM 530 CA ALA A 39 28.215 10.203 1.868 1.00 0.00 C ATOM 531 C ALA A 39 29.030 9.010 1.252 1.00 0.00 C ATOM 532 O ALA A 39 30.196 8.783 1.586 1.00 0.00 O ATOM 533 CB ALA A 39 29.047 11.256 2.635 1.00 0.00 C ATOM 0 H ALA A 39 26.126 10.056 2.168 1.00 0.00 H new ATOM 0 HA ALA A 39 27.863 10.729 0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.922 11.529 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 39 28.438 12.142 2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.369 10.840 3.590 1.00 0.00 H new ATOM 539 N GLY A 40 28.393 8.246 0.342 1.00 0.00 N ATOM 540 CA GLY A 40 28.958 6.969 -0.184 1.00 0.00 C ATOM 541 C GLY A 40 29.539 6.934 -1.617 1.00 0.00 C ATOM 542 O GLY A 40 30.382 6.076 -1.888 1.00 0.00 O ATOM 0 H GLY A 40 27.483 8.485 -0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 40 29.748 6.654 0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.172 6.216 -0.130 1.00 0.00 H new ATOM 546 N VAL A 41 29.099 7.803 -2.544 1.00 0.00 N ATOM 547 CA VAL A 41 29.625 7.831 -3.947 1.00 0.00 C ATOM 548 C VAL A 41 30.971 8.635 -3.989 1.00 0.00 C ATOM 549 O VAL A 41 30.984 9.862 -4.134 1.00 0.00 O ATOM 550 CB VAL A 41 28.529 8.344 -4.951 1.00 0.00 C ATOM 551 CG1 VAL A 41 29.021 8.461 -6.415 1.00 0.00 C ATOM 552 CG2 VAL A 41 27.271 7.444 -4.988 1.00 0.00 C ATOM 0 H VAL A 41 28.379 8.502 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 41 29.859 6.820 -4.281 1.00 0.00 H new ATOM 0 HB VAL A 41 28.290 9.332 -4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.207 8.821 -7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.855 9.162 -6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.348 7.483 -6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.553 7.852 -5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.553 6.437 -5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 41 26.820 7.409 -3.997 1.00 0.00 H new ATOM 562 N ASP A 42 32.106 7.914 -3.891 1.00 0.00 N ATOM 563 CA ASP A 42 33.466 8.516 -3.972 1.00 0.00 C ATOM 564 C ASP A 42 33.789 9.057 -5.408 1.00 0.00 C ATOM 565 O ASP A 42 33.615 8.357 -6.411 1.00 0.00 O ATOM 566 CB ASP A 42 34.471 7.442 -3.476 1.00 0.00 C ATOM 567 CG ASP A 42 35.896 7.947 -3.238 1.00 0.00 C ATOM 568 OD1 ASP A 42 36.168 9.061 -2.801 1.00 0.00 O ATOM 569 OD2 ASP A 42 36.833 7.014 -3.558 1.00 0.00 O ATOM 0 H ASP A 42 32.114 6.903 -3.754 1.00 0.00 H new ATOM 0 HA ASP A 42 33.536 9.398 -3.336 1.00 0.00 H new ATOM 0 HB2 ASP A 42 34.094 7.015 -2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 42 34.506 6.634 -4.207 1.00 0.00 H new ATOM 574 N GLY A 43 34.195 10.333 -5.490 1.00 0.00 N ATOM 575 CA GLY A 43 34.067 11.128 -6.745 1.00 0.00 C ATOM 576 C GLY A 43 33.186 12.388 -6.591 1.00 0.00 C ATOM 577 O GLY A 43 33.639 13.495 -6.888 1.00 0.00 O ATOM 0 H GLY A 43 34.614 10.844 -4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 43 35.061 11.428 -7.078 1.00 0.00 H new ATOM 0 HA3 GLY A 43 33.647 10.494 -7.526 1.00 0.00 H new ATOM 581 N PHE A 44 31.938 12.226 -6.115 1.00 0.00 N ATOM 582 CA PHE A 44 31.076 13.370 -5.719 1.00 0.00 C ATOM 583 C PHE A 44 31.472 13.901 -4.301 1.00 0.00 C ATOM 584 O PHE A 44 31.314 13.198 -3.297 1.00 0.00 O ATOM 585 CB PHE A 44 29.601 12.880 -5.791 1.00 0.00 C ATOM 586 CG PHE A 44 28.536 13.970 -5.569 1.00 0.00 C ATOM 587 CD1 PHE A 44 28.083 14.746 -6.639 1.00 0.00 C ATOM 588 CD2 PHE A 44 28.000 14.185 -4.296 1.00 0.00 C ATOM 589 CE1 PHE A 44 27.089 15.703 -6.443 1.00 0.00 C ATOM 590 CE2 PHE A 44 27.011 15.145 -4.098 1.00 0.00 C ATOM 591 CZ PHE A 44 26.545 15.892 -5.178 1.00 0.00 C ATOM 0 H PHE A 44 31.497 11.314 -5.993 1.00 0.00 H new ATOM 0 HA PHE A 44 31.207 14.217 -6.393 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.434 12.425 -6.767 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.458 12.098 -5.045 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.505 14.603 -7.623 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.356 13.602 -3.459 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.741 16.298 -7.274 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.606 15.310 -3.110 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.760 16.619 -5.032 1.00 0.00 H new ATOM 601 N ASN A 45 31.941 15.161 -4.211 1.00 0.00 N ATOM 602 CA ASN A 45 32.190 15.819 -2.899 1.00 0.00 C ATOM 603 C ASN A 45 30.851 16.330 -2.270 1.00 0.00 C ATOM 604 O ASN A 45 30.359 17.419 -2.582 1.00 0.00 O ATOM 605 CB ASN A 45 33.265 16.926 -3.067 1.00 0.00 C ATOM 606 CG ASN A 45 33.738 17.532 -1.737 1.00 0.00 C ATOM 607 OD1 ASN A 45 34.448 16.912 -0.952 1.00 0.00 O ATOM 608 ND2 ASN A 45 33.331 18.735 -1.415 1.00 0.00 N ATOM 0 H ASN A 45 32.156 15.745 -5.019 1.00 0.00 H new ATOM 0 HA ASN A 45 32.590 15.096 -2.188 1.00 0.00 H new ATOM 0 HB2 ASN A 45 34.124 16.509 -3.593 1.00 0.00 H new ATOM 0 HB3 ASN A 45 32.861 17.720 -3.695 1.00 0.00 H new ATOM 0 HD21 ASN A 45 33.605 19.144 -0.522 1.00 0.00 H new ATOM 0 HD22 ASN A 45 32.740 19.263 -2.058 1.00 0.00 H new ATOM 615 N TYR A 46 30.310 15.535 -1.338 1.00 0.00 N ATOM 616 CA TYR A 46 29.137 15.915 -0.502 1.00 0.00 C ATOM 617 C TYR A 46 29.437 17.119 0.466 1.00 0.00 C ATOM 618 O TYR A 46 30.600 17.443 0.732 1.00 0.00 O ATOM 619 CB TYR A 46 28.703 14.643 0.293 1.00 0.00 C ATOM 620 CG TYR A 46 28.221 13.411 -0.507 1.00 0.00 C ATOM 621 CD1 TYR A 46 29.145 12.455 -0.948 1.00 0.00 C ATOM 622 CD2 TYR A 46 26.861 13.211 -0.762 1.00 0.00 C ATOM 623 CE1 TYR A 46 28.714 11.321 -1.633 1.00 0.00 C ATOM 624 CE2 TYR A 46 26.431 12.069 -1.432 1.00 0.00 C ATOM 625 CZ TYR A 46 27.355 11.114 -1.853 1.00 0.00 C ATOM 626 OH TYR A 46 26.943 9.945 -2.442 1.00 0.00 O ATOM 0 H TYR A 46 30.667 14.602 -1.133 1.00 0.00 H new ATOM 0 HA TYR A 46 28.333 16.265 -1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 46 29.547 14.331 0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 46 27.902 14.933 0.973 1.00 0.00 H new ATOM 0 HD1 TYR A 46 30.198 12.598 -0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 46 26.140 13.947 -0.437 1.00 0.00 H new ATOM 0 HE1 TYR A 46 29.435 10.602 -1.994 1.00 0.00 H new ATOM 0 HE2 TYR A 46 25.379 11.923 -1.626 1.00 0.00 H new ATOM 0 HH TYR A 46 25.978 9.836 -2.312 1.00 0.00 H new ATOM 636 N SER A 47 28.402 17.791 1.013 1.00 0.00 N ATOM 637 CA SER A 47 28.616 18.880 2.016 1.00 0.00 C ATOM 638 C SER A 47 29.164 18.382 3.400 1.00 0.00 C ATOM 639 O SER A 47 29.020 17.208 3.759 1.00 0.00 O ATOM 640 CB SER A 47 27.325 19.732 2.136 1.00 0.00 C ATOM 641 OG SER A 47 26.314 19.096 2.921 1.00 0.00 O ATOM 0 H SER A 47 27.423 17.611 0.789 1.00 0.00 H new ATOM 0 HA SER A 47 29.419 19.517 1.646 1.00 0.00 H new ATOM 0 HB2 SER A 47 27.571 20.696 2.581 1.00 0.00 H new ATOM 0 HB3 SER A 47 26.933 19.932 1.139 1.00 0.00 H new ATOM 0 HG SER A 47 26.008 19.710 3.620 1.00 0.00 H new ATOM 647 N ASP A 48 29.790 19.279 4.188 1.00 0.00 N ATOM 648 CA ASP A 48 30.385 18.926 5.514 1.00 0.00 C ATOM 649 C ASP A 48 29.425 18.223 6.550 1.00 0.00 C ATOM 650 O ASP A 48 29.830 17.162 7.035 1.00 0.00 O ATOM 651 CB ASP A 48 31.098 20.180 6.087 1.00 0.00 C ATOM 652 CG ASP A 48 32.206 19.859 7.087 1.00 0.00 C ATOM 653 OD1 ASP A 48 33.362 19.608 6.767 1.00 0.00 O ATOM 654 OD2 ASP A 48 31.763 19.874 8.374 1.00 0.00 O ATOM 0 H ASP A 48 29.902 20.261 3.936 1.00 0.00 H new ATOM 0 HA ASP A 48 31.110 18.133 5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 48 31.521 20.754 5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 48 30.358 20.817 6.572 1.00 0.00 H new ATOM 659 N PRO A 49 28.179 18.686 6.884 1.00 0.00 N ATOM 660 CA PRO A 49 27.220 17.882 7.694 1.00 0.00 C ATOM 661 C PRO A 49 26.647 16.576 7.050 1.00 0.00 C ATOM 662 O PRO A 49 26.298 15.660 7.795 1.00 0.00 O ATOM 663 CB PRO A 49 26.155 18.921 8.083 1.00 0.00 C ATOM 664 CG PRO A 49 26.223 20.018 7.022 1.00 0.00 C ATOM 665 CD PRO A 49 27.625 19.971 6.419 1.00 0.00 C ATOM 0 HA PRO A 49 27.723 17.421 8.544 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.163 18.470 8.113 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.351 19.327 9.076 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.467 19.858 6.253 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.026 20.995 7.464 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.592 20.019 5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.232 20.811 6.757 1.00 0.00 H new ATOM 673 N MET A 50 26.583 16.447 5.708 1.00 0.00 N ATOM 674 CA MET A 50 26.386 15.129 5.031 1.00 0.00 C ATOM 675 C MET A 50 27.578 14.126 5.224 1.00 0.00 C ATOM 676 O MET A 50 27.346 12.981 5.620 1.00 0.00 O ATOM 677 CB MET A 50 26.024 15.412 3.546 1.00 0.00 C ATOM 678 CG MET A 50 25.653 14.173 2.704 1.00 0.00 C ATOM 679 SD MET A 50 24.286 13.254 3.439 1.00 0.00 S ATOM 680 CE MET A 50 22.886 14.094 2.683 1.00 0.00 C ATOM 0 H MET A 50 26.664 17.234 5.064 1.00 0.00 H new ATOM 0 HA MET A 50 25.562 14.597 5.506 1.00 0.00 H new ATOM 0 HB2 MET A 50 25.187 16.110 3.521 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.870 15.911 3.073 1.00 0.00 H new ATOM 0 HG2 MET A 50 25.381 14.486 1.696 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.522 13.522 2.612 1.00 0.00 H new ATOM 0 HE1 MET A 50 22.017 14.013 3.336 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.130 15.146 2.533 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.661 13.633 1.721 1.00 0.00 H new ATOM 690 N LYS A 51 28.836 14.558 4.999 1.00 0.00 N ATOM 691 CA LYS A 51 30.055 13.780 5.382 1.00 0.00 C ATOM 692 C LYS A 51 30.197 13.435 6.905 1.00 0.00 C ATOM 693 O LYS A 51 30.513 12.290 7.239 1.00 0.00 O ATOM 694 CB LYS A 51 31.322 14.491 4.822 1.00 0.00 C ATOM 695 CG LYS A 51 31.406 14.593 3.276 1.00 0.00 C ATOM 696 CD LYS A 51 32.730 15.143 2.709 1.00 0.00 C ATOM 697 CE LYS A 51 32.991 16.628 3.019 1.00 0.00 C ATOM 698 NZ LYS A 51 34.169 17.104 2.268 1.00 0.00 N ATOM 0 H LYS A 51 29.046 15.449 4.550 1.00 0.00 H new ATOM 0 HA LYS A 51 29.939 12.799 4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.365 15.498 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 51 32.203 13.960 5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.237 13.601 2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.592 15.229 2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 51 33.554 14.552 3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.732 15.005 1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.117 17.222 2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 51 33.154 16.761 4.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 34.296 18.123 2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 35.016 16.593 2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.026 16.931 1.252 1.00 0.00 H new ATOM 711 N ALA A 52 29.931 14.385 7.820 1.00 0.00 N ATOM 712 CA ALA A 52 29.877 14.116 9.282 1.00 0.00 C ATOM 713 C ALA A 52 28.660 13.312 9.861 1.00 0.00 C ATOM 714 O ALA A 52 28.762 12.848 10.999 1.00 0.00 O ATOM 715 CB ALA A 52 29.982 15.499 9.946 1.00 0.00 C ATOM 0 H ALA A 52 29.747 15.358 7.576 1.00 0.00 H new ATOM 0 HA ALA A 52 30.692 13.426 9.503 1.00 0.00 H new ATOM 0 HB1 ALA A 52 29.949 15.386 11.030 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.922 15.970 9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.149 16.123 9.621 1.00 0.00 H new ATOM 721 N HIS A 53 27.538 13.128 9.131 1.00 0.00 N ATOM 722 CA HIS A 53 26.371 12.324 9.610 1.00 0.00 C ATOM 723 C HIS A 53 26.689 10.808 9.862 1.00 0.00 C ATOM 724 O HIS A 53 26.460 10.320 10.972 1.00 0.00 O ATOM 725 CB HIS A 53 25.189 12.577 8.629 1.00 0.00 C ATOM 726 CG HIS A 53 23.819 12.025 9.041 1.00 0.00 C ATOM 727 ND1 HIS A 53 23.400 10.725 8.795 1.00 0.00 N ATOM 728 CD2 HIS A 53 22.777 12.772 9.614 1.00 0.00 C ATOM 729 CE1 HIS A 53 22.114 10.806 9.260 1.00 0.00 C ATOM 730 NE2 HIS A 53 21.646 11.990 9.765 1.00 0.00 N ATOM 0 H HIS A 53 27.407 13.525 8.200 1.00 0.00 H new ATOM 0 HA HIS A 53 26.089 12.660 10.608 1.00 0.00 H new ATOM 0 HB2 HIS A 53 25.092 13.653 8.484 1.00 0.00 H new ATOM 0 HB3 HIS A 53 25.452 12.147 7.662 1.00 0.00 H new ATOM 0 HD2 HIS A 53 22.849 13.812 9.897 1.00 0.00 H new ATOM 0 HE1 HIS A 53 21.471 9.939 9.228 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.729 12.227 10.143 1.00 0.00 H new ATOM 738 N GLY A 54 27.218 10.080 8.859 1.00 0.00 N ATOM 739 CA GLY A 54 27.630 8.664 9.036 1.00 0.00 C ATOM 740 C GLY A 54 26.507 7.599 9.003 1.00 0.00 C ATOM 741 O GLY A 54 25.317 7.886 8.851 1.00 0.00 O ATOM 0 H GLY A 54 27.372 10.443 7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 54 28.352 8.421 8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 54 28.151 8.579 9.990 1.00 0.00 H new ATOM 745 N GLY A 55 26.920 6.331 9.127 1.00 0.00 N ATOM 746 CA GLY A 55 25.985 5.180 9.000 1.00 0.00 C ATOM 747 C GLY A 55 25.574 4.835 7.549 1.00 0.00 C ATOM 748 O GLY A 55 26.355 5.005 6.609 1.00 0.00 O ATOM 0 H GLY A 55 27.887 6.066 9.314 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.449 4.302 9.450 1.00 0.00 H new ATOM 0 HA3 GLY A 55 25.085 5.396 9.576 1.00 0.00 H new ATOM 752 N ASP A 56 24.348 4.323 7.377 1.00 0.00 N ATOM 753 CA ASP A 56 23.839 3.865 6.051 1.00 0.00 C ATOM 754 C ASP A 56 22.396 4.385 5.770 1.00 0.00 C ATOM 755 O ASP A 56 21.579 4.569 6.681 1.00 0.00 O ATOM 756 CB ASP A 56 23.872 2.314 5.951 1.00 0.00 C ATOM 757 CG ASP A 56 25.250 1.660 6.044 1.00 0.00 C ATOM 758 OD1 ASP A 56 25.975 1.816 4.904 1.00 0.00 O ATOM 759 OD2 ASP A 56 25.659 1.065 7.036 1.00 0.00 O ATOM 0 H ASP A 56 23.677 4.210 8.137 1.00 0.00 H new ATOM 0 HA ASP A 56 24.501 4.285 5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.245 1.906 6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.418 2.022 5.004 1.00 0.00 H new ATOM 764 N TRP A 57 22.053 4.532 4.477 1.00 0.00 N ATOM 765 CA TRP A 57 20.668 4.846 4.035 1.00 0.00 C ATOM 766 C TRP A 57 19.718 3.609 4.099 1.00 0.00 C ATOM 767 O TRP A 57 19.382 2.973 3.096 1.00 0.00 O ATOM 768 CB TRP A 57 20.718 5.493 2.622 1.00 0.00 C ATOM 769 CG TRP A 57 21.196 6.947 2.575 1.00 0.00 C ATOM 770 CD1 TRP A 57 22.362 7.400 1.928 1.00 0.00 C ATOM 771 CD2 TRP A 57 20.650 8.062 3.194 1.00 0.00 C ATOM 772 NE1 TRP A 57 22.548 8.782 2.112 1.00 0.00 N ATOM 773 CE2 TRP A 57 21.490 9.166 2.913 1.00 0.00 C ATOM 774 CE3 TRP A 57 19.544 8.210 4.075 1.00 0.00 C ATOM 775 CZ2 TRP A 57 21.249 10.416 3.522 1.00 0.00 C ATOM 776 CZ3 TRP A 57 19.337 9.448 4.679 1.00 0.00 C ATOM 777 CH2 TRP A 57 20.183 10.532 4.415 1.00 0.00 C ATOM 0 H TRP A 57 22.718 4.439 3.709 1.00 0.00 H new ATOM 0 HA TRP A 57 20.235 5.563 4.732 1.00 0.00 H new ATOM 0 HB2 TRP A 57 21.374 4.893 1.991 1.00 0.00 H new ATOM 0 HB3 TRP A 57 19.721 5.443 2.184 1.00 0.00 H new ATOM 0 HD1 TRP A 57 23.029 6.766 1.362 1.00 0.00 H new ATOM 0 HE1 TRP A 57 23.295 9.368 1.739 1.00 0.00 H new ATOM 0 HE3 TRP A 57 18.880 7.382 4.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.877 11.266 3.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 18.510 9.574 5.362 1.00 0.00 H new ATOM 0 HH2 TRP A 57 20.007 11.475 4.911 1.00 0.00 H new ATOM 788 N THR A 58 19.260 3.310 5.320 1.00 0.00 N ATOM 789 CA THR A 58 18.237 2.263 5.591 1.00 0.00 C ATOM 790 C THR A 58 16.790 2.711 5.161 1.00 0.00 C ATOM 791 O THR A 58 16.527 3.921 5.107 1.00 0.00 O ATOM 792 CB THR A 58 18.286 1.871 7.106 1.00 0.00 C ATOM 793 OG1 THR A 58 17.988 2.977 7.950 1.00 0.00 O ATOM 794 CG2 THR A 58 19.618 1.272 7.595 1.00 0.00 C ATOM 0 H THR A 58 19.584 3.785 6.162 1.00 0.00 H new ATOM 0 HA THR A 58 18.474 1.389 4.984 1.00 0.00 H new ATOM 0 HB THR A 58 17.526 1.093 7.175 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.027 2.693 8.887 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.543 1.037 8.657 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.835 0.362 7.036 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.420 1.993 7.439 1.00 0.00 H new ATOM 802 N PRO A 59 15.796 1.809 4.888 1.00 0.00 N ATOM 803 CA PRO A 59 14.391 2.233 4.595 1.00 0.00 C ATOM 804 C PRO A 59 13.639 3.063 5.697 1.00 0.00 C ATOM 805 O PRO A 59 12.827 3.928 5.359 1.00 0.00 O ATOM 806 CB PRO A 59 13.725 0.899 4.204 1.00 0.00 C ATOM 807 CG PRO A 59 14.546 -0.197 4.885 1.00 0.00 C ATOM 808 CD PRO A 59 15.977 0.342 4.908 1.00 0.00 C ATOM 0 HA PRO A 59 14.357 2.989 3.811 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.686 0.870 4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.720 0.768 3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.182 -0.395 5.893 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.486 -1.136 4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.514 0.016 5.799 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.549 -0.003 4.047 1.00 0.00 H new ATOM 816 N GLU A 60 13.971 2.868 6.990 1.00 0.00 N ATOM 817 CA GLU A 60 13.630 3.830 8.074 1.00 0.00 C ATOM 818 C GLU A 60 14.331 5.229 7.943 1.00 0.00 C ATOM 819 O GLU A 60 13.611 6.228 7.904 1.00 0.00 O ATOM 820 CB GLU A 60 13.890 3.131 9.438 1.00 0.00 C ATOM 821 CG GLU A 60 13.340 3.895 10.670 1.00 0.00 C ATOM 822 CD GLU A 60 13.633 3.200 11.997 1.00 0.00 C ATOM 823 OE1 GLU A 60 14.842 3.569 12.514 1.00 0.00 O ATOM 824 OE2 GLU A 60 12.865 2.402 12.526 1.00 0.00 O ATOM 0 H GLU A 60 14.480 2.047 7.317 1.00 0.00 H new ATOM 0 HA GLU A 60 12.574 4.087 7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.442 2.138 9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.964 2.994 9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.772 4.896 10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.262 4.015 10.562 1.00 0.00 H new ATOM 831 N ALA A 61 15.679 5.322 7.873 1.00 0.00 N ATOM 832 CA ALA A 61 16.401 6.621 7.697 1.00 0.00 C ATOM 833 C ALA A 61 16.088 7.452 6.406 1.00 0.00 C ATOM 834 O ALA A 61 15.959 8.679 6.485 1.00 0.00 O ATOM 835 CB ALA A 61 17.909 6.329 7.827 1.00 0.00 C ATOM 0 H ALA A 61 16.298 4.514 7.935 1.00 0.00 H new ATOM 0 HA ALA A 61 16.029 7.283 8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.471 7.255 7.704 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.115 5.908 8.811 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.209 5.618 7.058 1.00 0.00 H new ATOM 841 N LEU A 62 15.910 6.795 5.242 1.00 0.00 N ATOM 842 CA LEU A 62 15.342 7.433 4.019 1.00 0.00 C ATOM 843 C LEU A 62 13.930 8.091 4.179 1.00 0.00 C ATOM 844 O LEU A 62 13.740 9.189 3.654 1.00 0.00 O ATOM 845 CB LEU A 62 15.345 6.394 2.860 1.00 0.00 C ATOM 846 CG LEU A 62 16.729 6.042 2.252 1.00 0.00 C ATOM 847 CD1 LEU A 62 16.638 4.749 1.431 1.00 0.00 C ATOM 848 CD2 LEU A 62 17.271 7.173 1.357 1.00 0.00 C ATOM 0 H LEU A 62 16.152 5.812 5.115 1.00 0.00 H new ATOM 0 HA LEU A 62 15.992 8.279 3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.888 5.474 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.707 6.772 2.061 1.00 0.00 H new ATOM 0 HG LEU A 62 17.418 5.906 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.616 4.515 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.315 3.931 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.918 4.881 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.241 6.884 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.575 7.353 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.380 8.083 1.947 1.00 0.00 H new ATOM 860 N GLN A 63 12.963 7.496 4.914 1.00 0.00 N ATOM 861 CA GLN A 63 11.687 8.194 5.263 1.00 0.00 C ATOM 862 C GLN A 63 11.816 9.555 6.028 1.00 0.00 C ATOM 863 O GLN A 63 11.099 10.497 5.679 1.00 0.00 O ATOM 864 CB GLN A 63 10.698 7.237 5.984 1.00 0.00 C ATOM 865 CG GLN A 63 9.969 6.225 5.058 1.00 0.00 C ATOM 866 CD GLN A 63 8.500 5.983 5.426 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.689 6.907 5.466 1.00 0.00 O ATOM 868 NE2 GLN A 63 8.106 4.761 5.684 1.00 0.00 N ATOM 0 H GLN A 63 13.032 6.545 5.277 1.00 0.00 H new ATOM 0 HA GLN A 63 11.284 8.483 4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.245 6.681 6.746 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.949 7.836 6.503 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.020 6.587 4.031 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.501 5.274 5.087 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.775 3.992 5.652 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.130 4.578 5.917 1.00 0.00 H new ATOM 877 N GLU A 64 12.714 9.692 7.020 1.00 0.00 N ATOM 878 CA GLU A 64 13.017 11.000 7.671 1.00 0.00 C ATOM 879 C GLU A 64 13.651 12.048 6.694 1.00 0.00 C ATOM 880 O GLU A 64 13.098 13.140 6.534 1.00 0.00 O ATOM 881 CB GLU A 64 13.883 10.789 8.943 1.00 0.00 C ATOM 882 CG GLU A 64 13.233 9.998 10.105 1.00 0.00 C ATOM 883 CD GLU A 64 13.418 8.486 10.025 1.00 0.00 C ATOM 884 OE1 GLU A 64 14.421 7.896 10.418 1.00 0.00 O ATOM 885 OE2 GLU A 64 12.377 7.872 9.401 1.00 0.00 O ATOM 0 H GLU A 64 13.252 8.912 7.398 1.00 0.00 H new ATOM 0 HA GLU A 64 12.063 11.432 7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.797 10.273 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.177 11.768 9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.651 10.353 11.047 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.166 10.220 10.126 1.00 0.00 H new ATOM 892 N PHE A 65 14.776 11.714 6.027 1.00 0.00 N ATOM 893 CA PHE A 65 15.409 12.597 5.002 1.00 0.00 C ATOM 894 C PHE A 65 14.522 12.966 3.764 1.00 0.00 C ATOM 895 O PHE A 65 14.524 14.125 3.349 1.00 0.00 O ATOM 896 CB PHE A 65 16.762 11.947 4.605 1.00 0.00 C ATOM 897 CG PHE A 65 17.692 12.835 3.759 1.00 0.00 C ATOM 898 CD1 PHE A 65 18.418 13.870 4.360 1.00 0.00 C ATOM 899 CD2 PHE A 65 17.826 12.613 2.383 1.00 0.00 C ATOM 900 CE1 PHE A 65 19.249 14.681 3.593 1.00 0.00 C ATOM 901 CE2 PHE A 65 18.665 13.422 1.621 1.00 0.00 C ATOM 902 CZ PHE A 65 19.367 14.462 2.222 1.00 0.00 C ATOM 0 H PHE A 65 15.273 10.836 6.175 1.00 0.00 H new ATOM 0 HA PHE A 65 15.559 13.576 5.457 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.289 11.659 5.514 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.558 11.031 4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 65 18.333 14.040 5.423 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.277 11.812 1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 65 19.803 15.481 4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.771 13.242 0.561 1.00 0.00 H new ATOM 0 HZ PHE A 65 20.003 15.099 1.626 1.00 0.00 H new ATOM 912 N LEU A 66 13.752 12.027 3.187 1.00 0.00 N ATOM 913 CA LEU A 66 12.730 12.360 2.152 1.00 0.00 C ATOM 914 C LEU A 66 11.454 13.103 2.674 1.00 0.00 C ATOM 915 O LEU A 66 10.851 13.831 1.887 1.00 0.00 O ATOM 916 CB LEU A 66 12.375 11.104 1.308 1.00 0.00 C ATOM 917 CG LEU A 66 13.539 10.375 0.580 1.00 0.00 C ATOM 918 CD1 LEU A 66 13.008 9.145 -0.175 1.00 0.00 C ATOM 919 CD2 LEU A 66 14.312 11.295 -0.379 1.00 0.00 C ATOM 0 H LEU A 66 13.809 11.034 3.411 1.00 0.00 H new ATOM 0 HA LEU A 66 13.206 13.100 1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.886 10.385 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.642 11.399 0.558 1.00 0.00 H new ATOM 0 HG LEU A 66 14.243 10.057 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.834 8.644 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.544 8.457 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.270 9.461 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.112 10.731 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.633 11.680 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.739 12.127 0.180 1.00 0.00 H new ATOM 931 N THR A 67 11.059 12.998 3.962 1.00 0.00 N ATOM 932 CA THR A 67 10.079 13.933 4.595 1.00 0.00 C ATOM 933 C THR A 67 10.581 15.421 4.646 1.00 0.00 C ATOM 934 O THR A 67 9.852 16.307 4.197 1.00 0.00 O ATOM 935 CB THR A 67 9.653 13.397 5.999 1.00 0.00 C ATOM 936 OG1 THR A 67 9.176 12.059 5.924 1.00 0.00 O ATOM 937 CG2 THR A 67 8.507 14.182 6.648 1.00 0.00 C ATOM 0 H THR A 67 11.401 12.274 4.593 1.00 0.00 H new ATOM 0 HA THR A 67 9.196 13.960 3.956 1.00 0.00 H new ATOM 0 HB THR A 67 10.562 13.493 6.592 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.855 11.449 6.282 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.272 13.746 7.619 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.807 15.222 6.780 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.626 14.137 6.007 1.00 0.00 H new ATOM 945 N ASN A 68 11.791 15.704 5.176 1.00 0.00 N ATOM 946 CA ASN A 68 12.437 17.042 5.056 1.00 0.00 C ATOM 947 C ASN A 68 14.001 16.857 5.063 1.00 0.00 C ATOM 948 O ASN A 68 14.534 16.456 6.108 1.00 0.00 O ATOM 949 CB ASN A 68 11.931 17.990 6.179 1.00 0.00 C ATOM 950 CG ASN A 68 12.353 19.460 6.019 1.00 0.00 C ATOM 951 OD1 ASN A 68 13.514 19.799 5.813 1.00 0.00 O ATOM 952 ND2 ASN A 68 11.440 20.392 6.136 1.00 0.00 N ATOM 0 H ASN A 68 12.347 15.024 5.695 1.00 0.00 H new ATOM 0 HA ASN A 68 12.164 17.515 4.113 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.843 17.941 6.214 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.298 17.623 7.138 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.701 21.375 6.056 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.468 20.135 6.307 1.00 0.00 H new ATOM 959 N PRO A 69 14.785 17.152 3.981 1.00 0.00 N ATOM 960 CA PRO A 69 16.262 16.944 3.987 1.00 0.00 C ATOM 961 C PRO A 69 17.105 18.002 4.769 1.00 0.00 C ATOM 962 O PRO A 69 17.992 17.630 5.539 1.00 0.00 O ATOM 963 CB PRO A 69 16.559 16.836 2.481 1.00 0.00 C ATOM 964 CG PRO A 69 15.500 17.685 1.779 1.00 0.00 C ATOM 965 CD PRO A 69 14.261 17.605 2.674 1.00 0.00 C ATOM 0 HA PRO A 69 16.566 16.065 4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.562 17.198 2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.511 15.799 2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.836 18.716 1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 69 15.289 17.304 0.780 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.767 18.573 2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.526 16.905 2.275 1.00 0.00 H new ATOM 973 N LYS A 70 16.792 19.298 4.598 1.00 0.00 N ATOM 974 CA LYS A 70 17.333 20.422 5.419 1.00 0.00 C ATOM 975 C LYS A 70 17.144 20.325 6.973 1.00 0.00 C ATOM 976 O LYS A 70 18.086 20.630 7.709 1.00 0.00 O ATOM 977 CB LYS A 70 16.716 21.739 4.851 1.00 0.00 C ATOM 978 CG LYS A 70 17.497 22.458 3.727 1.00 0.00 C ATOM 979 CD LYS A 70 17.755 21.665 2.428 1.00 0.00 C ATOM 980 CE LYS A 70 18.530 22.471 1.368 1.00 0.00 C ATOM 981 NZ LYS A 70 17.646 23.404 0.641 1.00 0.00 N ATOM 0 H LYS A 70 16.145 19.611 3.875 1.00 0.00 H new ATOM 0 HA LYS A 70 18.418 20.386 5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.718 21.510 4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.593 22.439 5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.954 23.366 3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.461 22.768 4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.314 20.760 2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.800 21.348 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.332 23.030 1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.998 21.787 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.201 23.930 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.895 22.868 0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.219 24.072 1.313 1.00 0.00 H new ATOM 994 N ALA A 71 15.965 19.915 7.480 1.00 0.00 N ATOM 995 CA ALA A 71 15.775 19.605 8.925 1.00 0.00 C ATOM 996 C ALA A 71 16.579 18.384 9.487 1.00 0.00 C ATOM 997 O ALA A 71 17.083 18.456 10.610 1.00 0.00 O ATOM 998 CB ALA A 71 14.262 19.437 9.156 1.00 0.00 C ATOM 0 H ALA A 71 15.125 19.788 6.916 1.00 0.00 H new ATOM 0 HA ALA A 71 16.193 20.438 9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 71 14.077 19.208 10.206 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.749 20.361 8.890 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.887 18.623 8.536 1.00 0.00 H new ATOM 1004 N VAL A 72 16.708 17.282 8.722 1.00 0.00 N ATOM 1005 CA VAL A 72 17.531 16.097 9.117 1.00 0.00 C ATOM 1006 C VAL A 72 19.070 16.368 8.989 1.00 0.00 C ATOM 1007 O VAL A 72 19.787 16.222 9.983 1.00 0.00 O ATOM 1008 CB VAL A 72 17.017 14.822 8.358 1.00 0.00 C ATOM 1009 CG1 VAL A 72 17.894 13.559 8.543 1.00 0.00 C ATOM 1010 CG2 VAL A 72 15.583 14.431 8.782 1.00 0.00 C ATOM 0 H VAL A 72 16.252 17.178 7.816 1.00 0.00 H new ATOM 0 HA VAL A 72 17.397 15.901 10.181 1.00 0.00 H new ATOM 0 HB VAL A 72 17.058 15.128 7.313 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.461 12.730 7.983 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.901 13.758 8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.938 13.298 9.600 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.270 13.544 8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.565 14.219 9.851 1.00 0.00 H new ATOM 0 HG23 VAL A 72 14.902 15.253 8.563 1.00 0.00 H new ATOM 1020 N VAL A 73 19.580 16.742 7.799 1.00 0.00 N ATOM 1021 CA VAL A 73 20.999 17.169 7.632 1.00 0.00 C ATOM 1022 C VAL A 73 20.998 18.729 7.529 1.00 0.00 C ATOM 1023 O VAL A 73 20.692 19.298 6.473 1.00 0.00 O ATOM 1024 CB VAL A 73 21.686 16.460 6.415 1.00 0.00 C ATOM 1025 CG1 VAL A 73 23.161 16.894 6.249 1.00 0.00 C ATOM 1026 CG2 VAL A 73 21.688 14.914 6.491 1.00 0.00 C ATOM 0 H VAL A 73 19.038 16.760 6.935 1.00 0.00 H new ATOM 0 HA VAL A 73 21.601 16.865 8.488 1.00 0.00 H new ATOM 0 HB VAL A 73 21.076 16.773 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.598 16.378 5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 73 23.207 17.971 6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 73 23.719 16.639 7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.183 14.507 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.221 14.594 7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.661 14.550 6.531 1.00 0.00 H new ATOM 1036 N LYS A 74 21.379 19.416 8.624 1.00 0.00 N ATOM 1037 CA LYS A 74 21.406 20.906 8.676 1.00 0.00 C ATOM 1038 C LYS A 74 22.624 21.490 7.880 1.00 0.00 C ATOM 1039 O LYS A 74 23.727 21.655 8.409 1.00 0.00 O ATOM 1040 CB LYS A 74 21.348 21.313 10.173 1.00 0.00 C ATOM 1041 CG LYS A 74 21.119 22.822 10.419 1.00 0.00 C ATOM 1042 CD LYS A 74 21.037 23.169 11.922 1.00 0.00 C ATOM 1043 CE LYS A 74 20.763 24.653 12.224 1.00 0.00 C ATOM 1044 NZ LYS A 74 21.939 25.504 11.947 1.00 0.00 N ATOM 0 H LYS A 74 21.675 18.968 9.491 1.00 0.00 H new ATOM 0 HA LYS A 74 20.544 21.342 8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.548 20.753 10.658 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.281 21.017 10.653 1.00 0.00 H new ATOM 0 HG2 LYS A 74 21.930 23.389 9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.197 23.132 9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.250 22.568 12.378 1.00 0.00 H new ATOM 0 HD3 LYS A 74 21.974 22.882 12.399 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.920 24.995 11.624 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.475 24.762 13.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.709 26.495 12.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 22.737 25.196 12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.199 25.421 10.943 1.00 0.00 H new ATOM 1057 N GLY A 75 22.396 21.759 6.585 1.00 0.00 N ATOM 1058 CA GLY A 75 23.482 22.043 5.602 1.00 0.00 C ATOM 1059 C GLY A 75 23.756 20.990 4.493 1.00 0.00 C ATOM 1060 O GLY A 75 24.881 20.926 3.988 1.00 0.00 O ATOM 0 H GLY A 75 21.461 21.788 6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.251 22.990 5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.407 22.189 6.160 1.00 0.00 H new ATOM 1064 N THR A 76 22.755 20.206 4.058 1.00 0.00 N ATOM 1065 CA THR A 76 22.820 19.445 2.777 1.00 0.00 C ATOM 1066 C THR A 76 22.600 20.379 1.548 1.00 0.00 C ATOM 1067 O THR A 76 21.661 21.180 1.512 1.00 0.00 O ATOM 1068 CB THR A 76 21.856 18.219 2.787 1.00 0.00 C ATOM 1069 OG1 THR A 76 21.998 17.460 1.589 1.00 0.00 O ATOM 1070 CG2 THR A 76 20.352 18.506 2.932 1.00 0.00 C ATOM 0 H THR A 76 21.883 20.076 4.570 1.00 0.00 H new ATOM 0 HA THR A 76 23.827 19.040 2.680 1.00 0.00 H new ATOM 0 HB THR A 76 22.168 17.692 3.689 1.00 0.00 H new ATOM 0 HG1 THR A 76 22.920 17.135 1.515 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.800 17.566 2.924 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.170 19.026 3.873 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.019 19.130 2.102 1.00 0.00 H new ATOM 1078 N LYS A 77 23.434 20.224 0.507 1.00 0.00 N ATOM 1079 CA LYS A 77 23.207 20.912 -0.806 1.00 0.00 C ATOM 1080 C LYS A 77 22.091 20.308 -1.750 1.00 0.00 C ATOM 1081 O LYS A 77 22.074 20.585 -2.953 1.00 0.00 O ATOM 1082 CB LYS A 77 24.595 21.123 -1.479 1.00 0.00 C ATOM 1083 CG LYS A 77 25.310 19.863 -2.017 1.00 0.00 C ATOM 1084 CD LYS A 77 26.674 20.154 -2.669 1.00 0.00 C ATOM 1085 CE LYS A 77 27.179 18.941 -3.462 1.00 0.00 C ATOM 1086 NZ LYS A 77 28.520 19.197 -4.019 1.00 0.00 N ATOM 0 H LYS A 77 24.268 19.637 0.533 1.00 0.00 H new ATOM 0 HA LYS A 77 22.746 21.877 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 77 24.468 21.821 -2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 77 25.253 21.604 -0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 77 25.452 19.159 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.665 19.375 -2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 77 26.587 21.015 -3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 77 27.400 20.416 -1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 77 27.211 18.066 -2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.483 18.714 -4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 28.517 18.992 -5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 28.775 20.194 -3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 29.215 18.586 -3.545 1.00 0.00 H new ATOM 1099 N MET A 78 21.128 19.538 -1.206 1.00 0.00 N ATOM 1100 CA MET A 78 19.950 19.028 -1.947 1.00 0.00 C ATOM 1101 C MET A 78 18.778 20.057 -1.901 1.00 0.00 C ATOM 1102 O MET A 78 18.040 20.129 -0.912 1.00 0.00 O ATOM 1103 CB MET A 78 19.592 17.638 -1.345 1.00 0.00 C ATOM 1104 CG MET A 78 18.322 17.003 -1.944 1.00 0.00 C ATOM 1105 SD MET A 78 18.437 15.174 -2.049 1.00 0.00 S ATOM 1106 CE MET A 78 16.931 14.832 -1.069 1.00 0.00 C ATOM 0 H MET A 78 21.144 19.248 -0.228 1.00 0.00 H new ATOM 0 HA MET A 78 20.166 18.900 -3.008 1.00 0.00 H new ATOM 0 HB2 MET A 78 20.432 16.960 -1.498 1.00 0.00 H new ATOM 0 HB3 MET A 78 19.460 17.743 -0.268 1.00 0.00 H new ATOM 0 HG2 MET A 78 17.461 17.276 -1.334 1.00 0.00 H new ATOM 0 HG3 MET A 78 18.150 17.411 -2.940 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.785 13.755 -0.991 1.00 0.00 H new ATOM 0 HE2 MET A 78 17.042 15.257 -0.071 1.00 0.00 H new ATOM 0 HE3 MET A 78 16.068 15.281 -1.560 1.00 0.00 H new ATOM 1116 N ALA A 79 18.564 20.804 -3.001 1.00 0.00 N ATOM 1117 CA ALA A 79 17.435 21.771 -3.105 1.00 0.00 C ATOM 1118 C ALA A 79 16.033 21.105 -3.355 1.00 0.00 C ATOM 1119 O ALA A 79 15.421 21.225 -4.420 1.00 0.00 O ATOM 1120 CB ALA A 79 17.854 22.797 -4.178 1.00 0.00 C ATOM 0 H ALA A 79 19.153 20.762 -3.833 1.00 0.00 H new ATOM 0 HA ALA A 79 17.268 22.267 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 79 17.064 23.537 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.772 23.295 -3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 79 18.023 22.285 -5.125 1.00 0.00 H new ATOM 1126 N PHE A 80 15.533 20.410 -2.322 1.00 0.00 N ATOM 1127 CA PHE A 80 14.237 19.686 -2.346 1.00 0.00 C ATOM 1128 C PHE A 80 13.479 19.976 -1.011 1.00 0.00 C ATOM 1129 O PHE A 80 14.038 19.843 0.082 1.00 0.00 O ATOM 1130 CB PHE A 80 14.531 18.171 -2.566 1.00 0.00 C ATOM 1131 CG PHE A 80 13.293 17.271 -2.720 1.00 0.00 C ATOM 1132 CD1 PHE A 80 12.526 17.316 -3.889 1.00 0.00 C ATOM 1133 CD2 PHE A 80 12.895 16.432 -1.672 1.00 0.00 C ATOM 1134 CE1 PHE A 80 11.366 16.553 -4.000 1.00 0.00 C ATOM 1135 CE2 PHE A 80 11.736 15.670 -1.785 1.00 0.00 C ATOM 1136 CZ PHE A 80 10.965 15.741 -2.943 1.00 0.00 C ATOM 0 H PHE A 80 16.019 20.329 -1.429 1.00 0.00 H new ATOM 0 HA PHE A 80 13.594 20.019 -3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 80 15.149 18.065 -3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 80 15.120 17.807 -1.724 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.835 17.946 -4.710 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.490 16.376 -0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.778 16.591 -4.905 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.434 15.023 -0.974 1.00 0.00 H new ATOM 0 HZ PHE A 80 10.055 15.165 -3.021 1.00 0.00 H new ATOM 1146 N ALA A 81 12.187 20.339 -1.098 1.00 0.00 N ATOM 1147 CA ALA A 81 11.347 20.587 0.106 1.00 0.00 C ATOM 1148 C ALA A 81 10.962 19.315 0.933 1.00 0.00 C ATOM 1149 O ALA A 81 11.228 19.276 2.138 1.00 0.00 O ATOM 1150 CB ALA A 81 10.128 21.410 -0.358 1.00 0.00 C ATOM 0 H ALA A 81 11.696 20.469 -1.982 1.00 0.00 H new ATOM 0 HA ALA A 81 11.938 21.144 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.482 21.616 0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.468 22.351 -0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.572 20.846 -1.106 1.00 0.00 H new ATOM 1156 N GLY A 82 10.341 18.295 0.310 1.00 0.00 N ATOM 1157 CA GLY A 82 9.890 17.083 1.037 1.00 0.00 C ATOM 1158 C GLY A 82 8.737 16.295 0.378 1.00 0.00 C ATOM 1159 O GLY A 82 7.896 16.837 -0.344 1.00 0.00 O ATOM 0 H GLY A 82 10.139 18.282 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.742 16.414 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.577 17.378 2.039 1.00 0.00 H new ATOM 1163 N LEU A 83 8.668 15.001 0.712 1.00 0.00 N ATOM 1164 CA LEU A 83 7.506 14.127 0.404 1.00 0.00 C ATOM 1165 C LEU A 83 6.622 13.971 1.698 1.00 0.00 C ATOM 1166 O LEU A 83 6.957 13.121 2.537 1.00 0.00 O ATOM 1167 CB LEU A 83 8.004 12.743 -0.112 1.00 0.00 C ATOM 1168 CG LEU A 83 8.731 12.667 -1.479 1.00 0.00 C ATOM 1169 CD1 LEU A 83 9.193 11.223 -1.750 1.00 0.00 C ATOM 1170 CD2 LEU A 83 7.863 13.137 -2.658 1.00 0.00 C ATOM 0 H LEU A 83 9.417 14.518 1.207 1.00 0.00 H new ATOM 0 HA LEU A 83 6.898 14.576 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.677 12.334 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.140 12.080 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 83 9.583 13.344 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.703 11.179 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.876 10.906 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.327 10.561 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.433 13.058 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.972 12.512 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.568 14.174 -2.501 1.00 0.00 H new ATOM 1182 N PRO A 84 5.495 14.716 1.921 1.00 0.00 N ATOM 1183 CA PRO A 84 4.640 14.543 3.136 1.00 0.00 C ATOM 1184 C PRO A 84 3.822 13.211 3.255 1.00 0.00 C ATOM 1185 O PRO A 84 3.683 12.681 4.361 1.00 0.00 O ATOM 1186 CB PRO A 84 3.772 15.817 3.108 1.00 0.00 C ATOM 1187 CG PRO A 84 3.695 16.223 1.635 1.00 0.00 C ATOM 1188 CD PRO A 84 5.063 15.844 1.066 1.00 0.00 C ATOM 0 HA PRO A 84 5.250 14.433 4.033 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.779 15.625 3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.216 16.609 3.711 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.891 15.698 1.119 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.501 17.290 1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.994 15.550 0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.764 16.677 1.118 1.00 0.00 H new ATOM 1196 N LYS A 85 3.331 12.650 2.135 1.00 0.00 N ATOM 1197 CA LYS A 85 2.624 11.342 2.110 1.00 0.00 C ATOM 1198 C LYS A 85 3.577 10.128 2.361 1.00 0.00 C ATOM 1199 O LYS A 85 4.588 9.953 1.668 1.00 0.00 O ATOM 1200 CB LYS A 85 1.932 11.165 0.729 1.00 0.00 C ATOM 1201 CG LYS A 85 0.756 12.116 0.412 1.00 0.00 C ATOM 1202 CD LYS A 85 0.135 11.813 -0.966 1.00 0.00 C ATOM 1203 CE LYS A 85 -1.026 12.758 -1.305 1.00 0.00 C ATOM 1204 NZ LYS A 85 -1.595 12.397 -2.619 1.00 0.00 N ATOM 0 H LYS A 85 3.410 13.086 1.216 1.00 0.00 H new ATOM 0 HA LYS A 85 1.895 11.354 2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.687 11.288 -0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.568 10.140 0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.007 12.021 1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.106 13.148 0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.904 11.896 -1.734 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.222 10.783 -0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.795 12.695 -0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.675 13.790 -1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.381 13.039 -2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.860 12.479 -3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.945 11.418 -2.589 1.00 0.00 H new ATOM 1217 N ILE A 86 3.199 9.237 3.299 1.00 0.00 N ATOM 1218 CA ILE A 86 3.843 7.894 3.451 1.00 0.00 C ATOM 1219 C ILE A 86 3.807 6.979 2.180 1.00 0.00 C ATOM 1220 O ILE A 86 4.842 6.388 1.869 1.00 0.00 O ATOM 1221 CB ILE A 86 3.370 7.173 4.764 1.00 0.00 C ATOM 1222 CG1 ILE A 86 4.241 5.914 5.058 1.00 0.00 C ATOM 1223 CG2 ILE A 86 1.858 6.823 4.785 1.00 0.00 C ATOM 1224 CD1 ILE A 86 4.147 5.324 6.471 1.00 0.00 C ATOM 0 H ILE A 86 2.451 9.413 3.969 1.00 0.00 H new ATOM 0 HA ILE A 86 4.908 8.100 3.560 1.00 0.00 H new ATOM 0 HB ILE A 86 3.514 7.898 5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.966 5.136 4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.283 6.169 4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.612 6.328 5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.272 7.737 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.627 6.158 3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.799 4.454 6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.456 6.073 7.200 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.118 5.025 6.673 1.00 0.00 H new ATOM 1236 N GLU A 87 2.684 6.880 1.437 1.00 0.00 N ATOM 1237 CA GLU A 87 2.639 6.154 0.133 1.00 0.00 C ATOM 1238 C GLU A 87 3.706 6.594 -0.922 1.00 0.00 C ATOM 1239 O GLU A 87 4.440 5.734 -1.399 1.00 0.00 O ATOM 1240 CB GLU A 87 1.187 6.092 -0.418 1.00 0.00 C ATOM 1241 CG GLU A 87 0.523 7.426 -0.853 1.00 0.00 C ATOM 1242 CD GLU A 87 -0.920 7.263 -1.321 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -1.009 7.013 -2.656 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -1.891 7.351 -0.576 1.00 0.00 O ATOM 0 H GLU A 87 1.792 7.291 1.711 1.00 0.00 H new ATOM 0 HA GLU A 87 2.950 5.133 0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.182 5.420 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.557 5.638 0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.549 8.125 -0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.110 7.869 -1.658 1.00 0.00 H new ATOM 1251 N ASP A 88 3.890 7.900 -1.198 1.00 0.00 N ATOM 1252 CA ASP A 88 5.026 8.398 -2.039 1.00 0.00 C ATOM 1253 C ASP A 88 6.456 7.965 -1.565 1.00 0.00 C ATOM 1254 O ASP A 88 7.246 7.502 -2.388 1.00 0.00 O ATOM 1255 CB ASP A 88 4.947 9.946 -2.180 1.00 0.00 C ATOM 1256 CG ASP A 88 3.747 10.522 -2.939 1.00 0.00 C ATOM 1257 OD1 ASP A 88 2.974 9.856 -3.621 1.00 0.00 O ATOM 1258 OD2 ASP A 88 3.650 11.874 -2.772 1.00 0.00 O ATOM 0 H ASP A 88 3.274 8.638 -0.857 1.00 0.00 H new ATOM 0 HA ASP A 88 4.896 7.914 -3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.951 10.377 -1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.855 10.286 -2.677 1.00 0.00 H new ATOM 1263 N ARG A 89 6.771 8.069 -0.260 1.00 0.00 N ATOM 1264 CA ARG A 89 8.041 7.534 0.315 1.00 0.00 C ATOM 1265 C ARG A 89 8.155 5.969 0.280 1.00 0.00 C ATOM 1266 O ARG A 89 9.128 5.450 -0.268 1.00 0.00 O ATOM 1267 CB ARG A 89 8.259 8.088 1.752 1.00 0.00 C ATOM 1268 CG ARG A 89 8.208 9.630 1.926 1.00 0.00 C ATOM 1269 CD ARG A 89 8.629 10.169 3.307 1.00 0.00 C ATOM 1270 NE ARG A 89 7.816 9.592 4.418 1.00 0.00 N ATOM 1271 CZ ARG A 89 6.750 10.152 4.982 1.00 0.00 C ATOM 1272 NH1 ARG A 89 6.271 11.322 4.647 1.00 0.00 N ATOM 1273 NH2 ARG A 89 6.147 9.484 5.918 1.00 0.00 N ATOM 0 H ARG A 89 6.166 8.519 0.427 1.00 0.00 H new ATOM 0 HA ARG A 89 8.842 7.889 -0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.504 7.648 2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.229 7.739 2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.850 10.082 1.170 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.191 9.965 1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.682 9.943 3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.531 11.255 3.315 1.00 0.00 H new ATOM 0 HE ARG A 89 8.105 8.683 4.778 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.721 11.865 3.910 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.448 11.691 5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.495 8.566 6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.325 9.877 6.377 1.00 0.00 H new ATOM 1287 N ALA A 90 7.172 5.226 0.827 1.00 0.00 N ATOM 1288 CA ALA A 90 7.108 3.740 0.754 1.00 0.00 C ATOM 1289 C ALA A 90 7.083 3.093 -0.672 1.00 0.00 C ATOM 1290 O ALA A 90 7.824 2.136 -0.914 1.00 0.00 O ATOM 1291 CB ALA A 90 5.876 3.337 1.588 1.00 0.00 C ATOM 0 H ALA A 90 6.391 5.637 1.338 1.00 0.00 H new ATOM 0 HA ALA A 90 8.047 3.347 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.768 2.252 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.004 3.679 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.983 3.794 1.162 1.00 0.00 H new ATOM 1297 N ASN A 91 6.285 3.629 -1.620 1.00 0.00 N ATOM 1298 CA ASN A 91 6.350 3.246 -3.057 1.00 0.00 C ATOM 1299 C ASN A 91 7.755 3.503 -3.718 1.00 0.00 C ATOM 1300 O ASN A 91 8.342 2.586 -4.300 1.00 0.00 O ATOM 1301 CB ASN A 91 5.232 3.979 -3.864 1.00 0.00 C ATOM 1302 CG ASN A 91 3.727 3.854 -3.581 1.00 0.00 C ATOM 1303 OD1 ASN A 91 2.941 4.683 -4.024 1.00 0.00 O ATOM 1304 ND2 ASN A 91 3.226 2.867 -2.891 1.00 0.00 N ATOM 0 H ASN A 91 5.579 4.337 -1.418 1.00 0.00 H new ATOM 0 HA ASN A 91 6.189 2.169 -3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.463 5.042 -3.801 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.369 3.684 -4.904 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.219 2.810 -2.740 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.841 2.152 -2.502 1.00 0.00 H new ATOM 1311 N LEU A 92 8.300 4.734 -3.605 1.00 0.00 N ATOM 1312 CA LEU A 92 9.678 5.080 -4.058 1.00 0.00 C ATOM 1313 C LEU A 92 10.843 4.256 -3.418 1.00 0.00 C ATOM 1314 O LEU A 92 11.703 3.772 -4.155 1.00 0.00 O ATOM 1315 CB LEU A 92 9.827 6.613 -3.866 1.00 0.00 C ATOM 1316 CG LEU A 92 11.127 7.275 -4.385 1.00 0.00 C ATOM 1317 CD1 LEU A 92 11.285 7.144 -5.907 1.00 0.00 C ATOM 1318 CD2 LEU A 92 11.137 8.759 -3.995 1.00 0.00 C ATOM 0 H LEU A 92 7.800 5.523 -3.196 1.00 0.00 H new ATOM 0 HA LEU A 92 9.782 4.794 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.983 7.097 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.742 6.829 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 92 11.966 6.753 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.212 7.625 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.313 6.089 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.442 7.625 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.052 9.225 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.274 9.257 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.092 8.850 -2.910 1.00 0.00 H new ATOM 1330 N ILE A 93 10.867 4.059 -2.086 1.00 0.00 N ATOM 1331 CA ILE A 93 11.848 3.151 -1.408 1.00 0.00 C ATOM 1332 C ILE A 93 11.726 1.653 -1.880 1.00 0.00 C ATOM 1333 O ILE A 93 12.767 1.056 -2.155 1.00 0.00 O ATOM 1334 CB ILE A 93 11.818 3.382 0.149 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.250 4.828 0.564 1.00 0.00 C ATOM 1336 CG2 ILE A 93 12.696 2.374 0.936 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.807 5.266 1.972 1.00 0.00 C ATOM 0 H ILE A 93 10.219 4.514 -1.443 1.00 0.00 H new ATOM 0 HA ILE A 93 12.856 3.417 -1.726 1.00 0.00 H new ATOM 0 HB ILE A 93 10.772 3.227 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.336 4.897 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.846 5.533 -0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.630 2.589 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.343 1.360 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.733 2.463 0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.155 6.281 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.719 5.237 2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.233 4.590 2.714 1.00 0.00 H new ATOM 1349 N ALA A 94 10.521 1.060 -2.054 1.00 0.00 N ATOM 1350 CA ALA A 94 10.358 -0.224 -2.804 1.00 0.00 C ATOM 1351 C ALA A 94 10.928 -0.269 -4.263 1.00 0.00 C ATOM 1352 O ALA A 94 11.610 -1.235 -4.618 1.00 0.00 O ATOM 1353 CB ALA A 94 8.867 -0.607 -2.780 1.00 0.00 C ATOM 0 H ALA A 94 9.648 1.442 -1.690 1.00 0.00 H new ATOM 0 HA ALA A 94 10.980 -0.953 -2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.723 -1.542 -3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.540 -0.732 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.281 0.181 -3.254 1.00 0.00 H new ATOM 1359 N TYR A 95 10.700 0.774 -5.088 1.00 0.00 N ATOM 1360 CA TYR A 95 11.420 0.956 -6.383 1.00 0.00 C ATOM 1361 C TYR A 95 12.979 1.047 -6.269 1.00 0.00 C ATOM 1362 O TYR A 95 13.672 0.300 -6.961 1.00 0.00 O ATOM 1363 CB TYR A 95 10.762 2.153 -7.126 1.00 0.00 C ATOM 1364 CG TYR A 95 11.287 2.436 -8.543 1.00 0.00 C ATOM 1365 CD1 TYR A 95 11.134 1.482 -9.555 1.00 0.00 C ATOM 1366 CD2 TYR A 95 11.947 3.637 -8.825 1.00 0.00 C ATOM 1367 CE1 TYR A 95 11.669 1.710 -10.820 1.00 0.00 C ATOM 1368 CE2 TYR A 95 12.462 3.871 -10.098 1.00 0.00 C ATOM 1369 CZ TYR A 95 12.333 2.902 -11.089 1.00 0.00 C ATOM 1370 OH TYR A 95 12.937 3.073 -12.305 1.00 0.00 O ATOM 0 H TYR A 95 10.022 1.509 -4.887 1.00 0.00 H new ATOM 0 HA TYR A 95 11.304 0.049 -6.977 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.689 1.972 -7.187 1.00 0.00 H new ATOM 0 HB3 TYR A 95 10.900 3.050 -6.523 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.599 0.566 -9.354 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.057 4.385 -8.054 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.568 0.962 -11.592 1.00 0.00 H new ATOM 0 HE2 TYR A 95 12.961 4.804 -10.316 1.00 0.00 H new ATOM 0 HH TYR A 95 13.346 2.229 -12.589 1.00 0.00 H new ATOM 1380 N LEU A 96 13.528 1.903 -5.393 1.00 0.00 N ATOM 1381 CA LEU A 96 14.995 1.965 -5.125 1.00 0.00 C ATOM 1382 C LEU A 96 15.644 0.718 -4.418 1.00 0.00 C ATOM 1383 O LEU A 96 16.833 0.475 -4.621 1.00 0.00 O ATOM 1384 CB LEU A 96 15.283 3.297 -4.379 1.00 0.00 C ATOM 1385 CG LEU A 96 14.884 4.628 -5.085 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.200 5.831 -4.183 1.00 0.00 C ATOM 1387 CD2 LEU A 96 15.544 4.802 -6.465 1.00 0.00 C ATOM 0 H LEU A 96 12.983 2.571 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 96 15.493 1.935 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.769 3.261 -3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.351 3.338 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 96 13.809 4.577 -5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.915 6.752 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.642 5.744 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.268 5.852 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.226 5.748 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.628 4.801 -6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.246 3.981 -7.117 1.00 0.00 H new ATOM 1399 N GLU A 97 14.892 -0.099 -3.652 1.00 0.00 N ATOM 1400 CA GLU A 97 15.273 -1.510 -3.323 1.00 0.00 C ATOM 1401 C GLU A 97 15.400 -2.471 -4.557 1.00 0.00 C ATOM 1402 O GLU A 97 16.372 -3.228 -4.626 1.00 0.00 O ATOM 1403 CB GLU A 97 14.270 -2.100 -2.287 1.00 0.00 C ATOM 1404 CG GLU A 97 14.396 -1.540 -0.853 1.00 0.00 C ATOM 1405 CD GLU A 97 13.368 -2.085 0.134 1.00 0.00 C ATOM 1406 OE1 GLU A 97 12.182 -1.419 0.072 1.00 0.00 O ATOM 1407 OE2 GLU A 97 13.588 -3.010 0.909 1.00 0.00 O ATOM 0 H GLU A 97 14.004 0.189 -3.240 1.00 0.00 H new ATOM 0 HA GLU A 97 16.277 -1.449 -2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.256 -1.917 -2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.405 -3.181 -2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.395 -1.762 -0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.304 -0.455 -0.891 1.00 0.00 H new ATOM 1414 N GLY A 98 14.449 -2.446 -5.513 1.00 0.00 N ATOM 1415 CA GLY A 98 14.606 -3.133 -6.828 1.00 0.00 C ATOM 1416 C GLY A 98 15.688 -2.600 -7.806 1.00 0.00 C ATOM 1417 O GLY A 98 16.382 -3.400 -8.435 1.00 0.00 O ATOM 0 H GLY A 98 13.559 -1.958 -5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.822 -4.183 -6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.645 -3.095 -7.341 1.00 0.00 H new ATOM 1421 N GLN A 99 15.832 -1.272 -7.948 1.00 0.00 N ATOM 1422 CA GLN A 99 16.932 -0.647 -8.738 1.00 0.00 C ATOM 1423 C GLN A 99 18.257 -0.583 -7.903 1.00 0.00 C ATOM 1424 O GLN A 99 18.571 0.443 -7.287 1.00 0.00 O ATOM 1425 CB GLN A 99 16.486 0.766 -9.234 1.00 0.00 C ATOM 1426 CG GLN A 99 15.143 0.928 -10.002 1.00 0.00 C ATOM 1427 CD GLN A 99 15.018 0.399 -11.435 1.00 0.00 C ATOM 1428 OE1 GLN A 99 14.737 1.141 -12.373 1.00 0.00 O ATOM 1429 NE2 GLN A 99 15.119 -0.890 -11.648 1.00 0.00 N ATOM 0 H GLN A 99 15.198 -0.595 -7.524 1.00 0.00 H new ATOM 0 HA GLN A 99 17.140 -1.264 -9.612 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.442 1.418 -8.361 1.00 0.00 H new ATOM 0 HB3 GLN A 99 17.277 1.149 -9.879 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.368 0.444 -9.408 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.908 1.992 -10.026 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.352 -1.517 -10.878 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.965 -1.266 -12.584 1.00 0.00 H new ATOM 1438 N GLN A 100 19.031 -1.684 -7.873 1.00 0.00 N ATOM 1439 CA GLN A 100 20.353 -1.724 -7.193 1.00 0.00 C ATOM 1440 C GLN A 100 21.370 -2.489 -8.072 1.00 0.00 C ATOM 1441 O GLN A 100 21.351 -3.741 -8.106 1.00 0.00 O ATOM 1442 CB GLN A 100 20.269 -2.235 -5.723 1.00 0.00 C ATOM 1443 CG GLN A 100 19.396 -1.384 -4.751 1.00 0.00 C ATOM 1444 CD GLN A 100 19.769 -1.415 -3.272 1.00 0.00 C ATOM 1445 OE1 GLN A 100 20.525 -0.581 -2.787 1.00 0.00 O ATOM 1446 NE2 GLN A 100 19.229 -2.323 -2.497 1.00 0.00 N ATOM 1447 OXT GLN A 100 22.203 -1.823 -8.737 1.00 0.00 O ATOM 0 H GLN A 100 18.767 -2.566 -8.313 1.00 0.00 H new ATOM 0 HA GLN A 100 20.719 -0.703 -7.087 1.00 0.00 H new ATOM 0 HB2 GLN A 100 19.877 -3.252 -5.735 1.00 0.00 H new ATOM 0 HB3 GLN A 100 21.280 -2.288 -5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 100 19.429 -0.347 -5.086 1.00 0.00 H new ATOM 0 HG3 GLN A 100 18.362 -1.717 -4.846 1.00 0.00 H new ATOM 0 HE21 GLN A 100 18.599 -3.021 -2.892 1.00 0.00 H new ATOM 0 HE22 GLN A 100 19.439 -2.332 -1.499 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 18.408 14.263 -3.957 1.00 0.00 FE HETATM 1458 CHA HEC A 101 21.285 13.631 -2.190 1.00 0.00 C HETATM 1459 CHB HEC A 101 17.419 11.226 -2.587 1.00 0.00 C HETATM 1460 CHC HEC A 101 15.396 14.929 -5.084 1.00 0.00 C HETATM 1461 CHD HEC A 101 19.519 16.875 -5.398 1.00 0.00 C HETATM 1462 NA HEC A 101 19.067 12.926 -2.607 1.00 0.00 N HETATM 1463 C1A HEC A 101 20.252 12.801 -2.037 1.00 0.00 C HETATM 1464 C2A HEC A 101 20.470 11.702 -1.267 1.00 0.00 C HETATM 1465 C3A HEC A 101 19.333 11.034 -1.343 1.00 0.00 C HETATM 1466 C4A HEC A 101 18.581 11.762 -2.209 1.00 0.00 C HETATM 1467 CMA HEC A 101 19.024 9.713 -0.606 1.00 0.00 C HETATM 1468 CAA HEC A 101 21.738 11.178 -0.545 1.00 0.00 C HETATM 1469 CBA HEC A 101 22.515 10.213 -1.481 1.00 0.00 C HETATM 1470 CGA HEC A 101 23.883 9.699 -1.029 1.00 0.00 C HETATM 1471 O1A HEC A 101 24.527 8.998 -1.845 1.00 0.00 O HETATM 1472 O2A HEC A 101 24.353 10.012 0.088 1.00 0.00 O HETATM 1473 NB HEC A 101 16.835 13.256 -3.898 1.00 0.00 N HETATM 1474 C1B HEC A 101 16.497 11.941 -3.464 1.00 0.00 C HETATM 1475 C2B HEC A 101 15.234 11.496 -3.840 1.00 0.00 C HETATM 1476 C3B HEC A 101 14.604 12.580 -4.417 1.00 0.00 C HETATM 1477 C4B HEC A 101 15.559 13.618 -4.419 1.00 0.00 C HETATM 1478 CMB HEC A 101 14.664 10.077 -3.692 1.00 0.00 C HETATM 1479 CAB HEC A 101 13.199 12.575 -5.064 1.00 0.00 C HETATM 1480 CBB HEC A 101 12.092 12.479 -4.001 1.00 0.00 C HETATM 1481 NC HEC A 101 17.584 15.701 -4.815 1.00 0.00 N HETATM 1482 C1C HEC A 101 16.386 15.806 -5.291 1.00 0.00 C HETATM 1483 C2C HEC A 101 16.194 16.864 -6.115 1.00 0.00 C HETATM 1484 C3C HEC A 101 17.407 17.399 -6.270 1.00 0.00 C HETATM 1485 C4C HEC A 101 18.198 16.642 -5.466 1.00 0.00 C HETATM 1486 CMC HEC A 101 14.931 17.367 -6.835 1.00 0.00 C HETATM 1487 CAC HEC A 101 17.788 18.523 -7.278 1.00 0.00 C HETATM 1488 CBC HEC A 101 17.077 19.868 -7.063 1.00 0.00 C HETATM 1489 ND HEC A 101 20.103 14.943 -3.948 1.00 0.00 N HETATM 1490 C1D HEC A 101 20.499 16.127 -4.591 1.00 0.00 C HETATM 1491 C2D HEC A 101 21.784 16.578 -4.252 1.00 0.00 C HETATM 1492 C3D HEC A 101 22.274 15.685 -3.320 1.00 0.00 C HETATM 1493 C4D HEC A 101 21.258 14.738 -3.145 1.00 0.00 C HETATM 1494 CMD HEC A 101 22.499 17.831 -4.771 1.00 0.00 C HETATM 1495 CAD HEC A 101 23.602 15.792 -2.544 1.00 0.00 C HETATM 1496 CBD HEC A 101 23.394 16.435 -1.152 1.00 0.00 C HETATM 1497 CGD HEC A 101 24.625 16.658 -0.274 1.00 0.00 C HETATM 1498 O1D HEC A 101 24.424 17.073 0.890 1.00 0.00 O HETATM 1499 O2D HEC A 101 25.776 16.463 -0.721 1.00 0.00 O HETATM 0 HMD3 HEC A 101 22.603 17.768 -5.854 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 21.917 18.715 -4.513 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 23.487 17.901 -4.315 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 14.558 16.589 -7.502 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 14.165 17.611 -6.099 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 15.173 18.257 -7.415 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 15.284 9.376 -4.250 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 14.656 9.796 -2.639 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 13.646 10.051 -4.082 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 19.737 8.949 -0.915 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 19.103 9.869 0.470 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 18.013 9.387 -0.852 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 22.909 17.400 -1.299 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 22.696 15.809 -0.596 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 16.000 19.728 -7.150 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 17.314 20.250 -6.070 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 17.412 20.581 -7.816 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 12.213 11.558 -3.431 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 12.159 13.333 -3.328 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 11.118 12.478 -4.490 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 21.880 9.346 -1.664 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 22.650 10.717 -2.438 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 24.037 14.800 -2.426 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 24.313 16.386 -3.118 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 22.376 12.014 -0.259 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 21.458 10.662 0.373 1.00 0.00 H new HETATM 0 HHD HEC A 101 19.904 17.699 -5.999 1.00 0.00 H new HETATM 0 HHC HEC A 101 14.399 15.200 -5.430 1.00 0.00 H new HETATM 0 HHB HEC A 101 17.152 10.230 -2.232 1.00 0.00 H new HETATM 0 HHA HEC A 101 22.178 13.479 -1.584 1.00 0.00 H new HETATM 0 H2D HEC A 101 26.326 16.034 -0.033 1.00 0.00 H new HETATM 0 H2A HEC A 101 25.066 10.674 -0.031 1.00 0.00 H new