USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 751 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 -1 SER OG : rot 179:sc= 0.723 USER MOD Set 1.2: A -2 GLY N :NH3+ -119:sc= 0.87 (180deg=0.108) USER MOD Set 2.1: A 0 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.025) USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 59:sc= 1.21 USER MOD Single : A 11 TYR OH : rot 15:sc= -0.301 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -59:sc= 0.123 USER MOD Single : A 18 HIS : no HD1:sc=-0.00509 X(o=-0.0051,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= 1.06 (180deg=0.81) USER MOD Single : A 31 TYR OH : rot 130:sc=-0.00808 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= 0.753 (180deg=0.339) USER MOD Single : A 37 CYS SG : rot 104:sc= 0.211 USER MOD Single : A 40 LYS NZ :NH3+ 175:sc= 0.427 (180deg=0.335) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 132:sc= 0.15 USER MOD Single : A 44 SER OG : rot -32:sc= 0.0641 USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= -0.056 (180deg=-0.46) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.105 USER MOD Single : A 74 ASN : amide:sc= 0.987 K(o=0.99,f=-0.28) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.015) USER MOD Single : A 83 ASN : amide:sc=-0.00297 X(o=-0.003,f=0) USER MOD Single : B 101 A O2' : rot -36:sc= 1.22 USER MOD Single : B 101 A O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot 166:sc= 1.28 USER MOD Single : B 103 A O2' : rot -9:sc= 0.438 USER MOD Single : B 104 U O2' : rot -109:sc= 1.24 USER MOD Single : B 105 C O2' : rot 25:sc= 0.0247 USER MOD Single : B 106 A O2' : rot -20:sc= 0.478 USER MOD Single : B 106 A O3' : rot 180:sc= 0.271 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 36.330 33.676 41.443 1.00 0.00 N ATOM 2 CA GLY A -2 36.638 34.510 42.623 1.00 0.00 C ATOM 3 C GLY A -2 37.826 35.392 42.306 1.00 0.00 C ATOM 4 O GLY A -2 38.896 35.193 42.873 1.00 0.00 O ATOM 0 H1 GLY A -2 35.368 33.888 41.110 1.00 0.00 H new ATOM 0 H2 GLY A -2 37.012 33.882 40.685 1.00 0.00 H new ATOM 0 H3 GLY A -2 36.393 32.671 41.702 1.00 0.00 H new ATOM 0 HA2 GLY A -2 35.775 35.121 42.888 1.00 0.00 H new ATOM 0 HA3 GLY A -2 36.857 33.878 43.484 1.00 0.00 H new ATOM 10 N SER A -1 37.676 36.276 41.319 1.00 0.00 N ATOM 11 CA SER A -1 38.759 36.563 40.364 1.00 0.00 C ATOM 12 C SER A -1 38.690 38.006 39.857 1.00 0.00 C ATOM 13 O SER A -1 38.340 38.271 38.705 1.00 0.00 O ATOM 14 CB SER A -1 38.683 35.547 39.212 1.00 0.00 C ATOM 15 OG SER A -1 38.718 34.232 39.745 1.00 0.00 O ATOM 0 H SER A -1 36.820 36.807 41.156 1.00 0.00 H new ATOM 0 HA SER A -1 39.722 36.462 40.865 1.00 0.00 H new ATOM 0 HB2 SER A -1 37.767 35.696 38.640 1.00 0.00 H new ATOM 0 HB3 SER A -1 39.516 35.696 38.525 1.00 0.00 H new ATOM 0 HG SER A -1 38.648 33.581 39.016 1.00 0.00 H new ATOM 21 N HIS A 0 38.951 38.944 40.767 1.00 0.00 N ATOM 22 CA HIS A 0 38.738 40.387 40.598 1.00 0.00 C ATOM 23 C HIS A 0 39.636 41.126 41.596 1.00 0.00 C ATOM 24 O HIS A 0 39.557 40.838 42.788 1.00 0.00 O ATOM 25 CB HIS A 0 37.243 40.640 40.869 1.00 0.00 C ATOM 26 CG HIS A 0 36.710 42.040 40.694 1.00 0.00 C ATOM 27 ND1 HIS A 0 35.471 42.317 40.110 1.00 0.00 N ATOM 28 CD2 HIS A 0 37.203 43.190 41.248 1.00 0.00 C ATOM 29 CE1 HIS A 0 35.262 43.629 40.297 1.00 0.00 C ATOM 30 NE2 HIS A 0 36.288 44.176 40.965 1.00 0.00 N ATOM 0 H HIS A 0 39.334 38.712 41.684 1.00 0.00 H new ATOM 0 HA HIS A 0 38.992 40.743 39.600 1.00 0.00 H new ATOM 0 HB2 HIS A 0 36.671 39.983 40.214 1.00 0.00 H new ATOM 0 HB3 HIS A 0 37.034 40.331 41.893 1.00 0.00 H new ATOM 0 HD2 HIS A 0 38.126 43.301 41.798 1.00 0.00 H new ATOM 0 HE1 HIS A 0 34.390 44.169 39.957 1.00 0.00 H new ATOM 0 HE2 HIS A 0 36.375 45.160 41.221 1.00 0.00 H new ATOM 38 N MET A 1 40.508 42.036 41.142 1.00 0.00 N ATOM 39 CA MET A 1 41.408 42.805 42.024 1.00 0.00 C ATOM 40 C MET A 1 41.841 44.147 41.409 1.00 0.00 C ATOM 41 O MET A 1 41.103 45.120 41.527 1.00 0.00 O ATOM 42 CB MET A 1 42.579 41.947 42.560 1.00 0.00 C ATOM 43 CG MET A 1 43.349 41.096 41.536 1.00 0.00 C ATOM 44 SD MET A 1 44.444 39.878 42.315 1.00 0.00 S ATOM 45 CE MET A 1 45.105 39.068 40.834 1.00 0.00 C ATOM 0 H MET A 1 40.612 42.263 40.153 1.00 0.00 H new ATOM 0 HA MET A 1 40.828 43.080 42.905 1.00 0.00 H new ATOM 0 HB2 MET A 1 43.290 42.613 43.050 1.00 0.00 H new ATOM 0 HB3 MET A 1 42.186 41.280 43.327 1.00 0.00 H new ATOM 0 HG2 MET A 1 42.638 40.579 40.892 1.00 0.00 H new ATOM 0 HG3 MET A 1 43.940 41.752 40.896 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.803 38.284 41.129 1.00 0.00 H new ATOM 0 HE2 MET A 1 44.287 38.629 40.263 1.00 0.00 H new ATOM 0 HE3 MET A 1 45.624 39.803 40.218 1.00 0.00 H new ATOM 55 N VAL A 2 43.015 44.228 40.769 1.00 0.00 N ATOM 56 CA VAL A 2 43.579 45.480 40.229 1.00 0.00 C ATOM 57 C VAL A 2 42.873 45.875 38.924 1.00 0.00 C ATOM 58 O VAL A 2 43.324 45.546 37.828 1.00 0.00 O ATOM 59 CB VAL A 2 45.113 45.370 40.060 1.00 0.00 C ATOM 60 CG1 VAL A 2 45.737 46.706 39.627 1.00 0.00 C ATOM 61 CG2 VAL A 2 45.800 44.955 41.371 1.00 0.00 C ATOM 0 H VAL A 2 43.611 43.416 40.608 1.00 0.00 H new ATOM 0 HA VAL A 2 43.398 46.281 40.946 1.00 0.00 H new ATOM 0 HB VAL A 2 45.269 44.613 39.292 1.00 0.00 H new ATOM 0 HG11 VAL A 2 46.815 46.586 39.519 1.00 0.00 H new ATOM 0 HG12 VAL A 2 45.309 47.015 38.673 1.00 0.00 H new ATOM 0 HG13 VAL A 2 45.530 47.466 40.381 1.00 0.00 H new ATOM 0 HG21 VAL A 2 46.876 44.888 41.212 1.00 0.00 H new ATOM 0 HG22 VAL A 2 45.592 45.697 42.142 1.00 0.00 H new ATOM 0 HG23 VAL A 2 45.419 43.985 41.690 1.00 0.00 H new ATOM 71 N ILE A 3 41.731 46.550 39.045 1.00 0.00 N ATOM 72 CA ILE A 3 40.904 47.059 37.939 1.00 0.00 C ATOM 73 C ILE A 3 39.993 48.192 38.448 1.00 0.00 C ATOM 74 O ILE A 3 39.727 48.274 39.649 1.00 0.00 O ATOM 75 CB ILE A 3 40.118 45.889 37.292 1.00 0.00 C ATOM 76 CG1 ILE A 3 39.519 46.328 35.940 1.00 0.00 C ATOM 77 CG2 ILE A 3 39.061 45.296 38.246 1.00 0.00 C ATOM 78 CD1 ILE A 3 38.988 45.174 35.088 1.00 0.00 C ATOM 0 H ILE A 3 41.334 46.770 39.958 1.00 0.00 H new ATOM 0 HA ILE A 3 41.533 47.487 37.159 1.00 0.00 H new ATOM 0 HB ILE A 3 40.820 45.079 37.095 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.708 47.032 36.126 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.281 46.863 35.374 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.538 44.480 37.747 1.00 0.00 H new ATOM 0 HG22 ILE A 3 39.552 44.918 39.143 1.00 0.00 H new ATOM 0 HG23 ILE A 3 38.346 46.070 38.523 1.00 0.00 H new ATOM 0 HD11 ILE A 3 38.584 45.567 34.155 1.00 0.00 H new ATOM 0 HD12 ILE A 3 39.800 44.480 34.869 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.201 44.652 35.632 1.00 0.00 H new ATOM 90 N ARG A 4 39.531 49.084 37.559 1.00 0.00 N ATOM 91 CA ARG A 4 38.659 50.228 37.904 1.00 0.00 C ATOM 92 C ARG A 4 37.202 50.093 37.456 1.00 0.00 C ATOM 93 O ARG A 4 36.337 50.725 38.054 1.00 0.00 O ATOM 94 CB ARG A 4 39.307 51.533 37.396 1.00 0.00 C ATOM 95 CG ARG A 4 39.964 52.319 38.540 1.00 0.00 C ATOM 96 CD ARG A 4 38.892 52.972 39.418 1.00 0.00 C ATOM 97 NE ARG A 4 39.476 53.861 40.435 1.00 0.00 N ATOM 98 CZ ARG A 4 38.811 54.438 41.418 1.00 0.00 C ATOM 99 NH1 ARG A 4 37.556 54.186 41.649 1.00 0.00 N ATOM 100 NH2 ARG A 4 39.393 55.289 42.206 1.00 0.00 N ATOM 0 H ARG A 4 39.753 49.034 36.565 1.00 0.00 H new ATOM 0 HA ARG A 4 38.586 50.248 38.991 1.00 0.00 H new ATOM 0 HB2 ARG A 4 40.055 51.298 36.639 1.00 0.00 H new ATOM 0 HB3 ARG A 4 38.550 52.153 36.915 1.00 0.00 H new ATOM 0 HG2 ARG A 4 40.581 51.652 39.142 1.00 0.00 H new ATOM 0 HG3 ARG A 4 40.626 53.083 38.133 1.00 0.00 H new ATOM 0 HD2 ARG A 4 38.207 53.541 38.790 1.00 0.00 H new ATOM 0 HD3 ARG A 4 38.304 52.196 39.909 1.00 0.00 H new ATOM 0 HE ARG A 4 40.477 54.046 40.375 1.00 0.00 H new ATOM 0 HH11 ARG A 4 37.052 53.522 41.060 1.00 0.00 H new ATOM 0 HH12 ARG A 4 37.076 54.652 42.419 1.00 0.00 H new ATOM 0 HH21 ARG A 4 40.377 55.520 42.070 1.00 0.00 H new ATOM 0 HH22 ARG A 4 38.866 55.727 42.962 1.00 0.00 H new ATOM 114 N GLU A 5 36.916 49.259 36.460 1.00 0.00 N ATOM 115 CA GLU A 5 35.565 48.786 36.126 1.00 0.00 C ATOM 116 C GLU A 5 35.290 47.381 36.718 1.00 0.00 C ATOM 117 O GLU A 5 36.208 46.720 37.195 1.00 0.00 O ATOM 118 CB GLU A 5 35.362 48.850 34.600 1.00 0.00 C ATOM 119 CG GLU A 5 35.247 50.302 34.077 1.00 0.00 C ATOM 120 CD GLU A 5 36.359 50.770 33.119 1.00 0.00 C ATOM 121 OE1 GLU A 5 37.539 50.366 33.262 1.00 0.00 O ATOM 122 OE2 GLU A 5 36.047 51.601 32.230 1.00 0.00 O ATOM 0 H GLU A 5 37.634 48.880 35.842 1.00 0.00 H new ATOM 0 HA GLU A 5 34.828 49.443 36.587 1.00 0.00 H new ATOM 0 HB2 GLU A 5 36.197 48.354 34.105 1.00 0.00 H new ATOM 0 HB3 GLU A 5 34.460 48.299 34.333 1.00 0.00 H new ATOM 0 HG2 GLU A 5 34.289 50.408 33.568 1.00 0.00 H new ATOM 0 HG3 GLU A 5 35.228 50.975 34.935 1.00 0.00 H new ATOM 129 N SER A 6 34.030 46.926 36.753 1.00 0.00 N ATOM 130 CA SER A 6 33.681 45.555 37.183 1.00 0.00 C ATOM 131 C SER A 6 33.664 44.571 36.007 1.00 0.00 C ATOM 132 O SER A 6 33.267 44.936 34.902 1.00 0.00 O ATOM 133 CB SER A 6 32.338 45.523 37.916 1.00 0.00 C ATOM 134 OG SER A 6 32.138 44.239 38.470 1.00 0.00 O ATOM 0 H SER A 6 33.224 47.491 36.486 1.00 0.00 H new ATOM 0 HA SER A 6 34.461 45.239 37.875 1.00 0.00 H new ATOM 0 HB2 SER A 6 32.322 46.277 38.703 1.00 0.00 H new ATOM 0 HB3 SER A 6 31.529 45.764 37.227 1.00 0.00 H new ATOM 0 HG SER A 6 31.279 44.216 38.942 1.00 0.00 H new ATOM 140 N VAL A 7 34.070 43.319 36.243 1.00 0.00 N ATOM 141 CA VAL A 7 34.205 42.286 35.198 1.00 0.00 C ATOM 142 C VAL A 7 32.945 41.416 35.099 1.00 0.00 C ATOM 143 O VAL A 7 32.847 40.349 35.711 1.00 0.00 O ATOM 144 CB VAL A 7 35.485 41.445 35.391 1.00 0.00 C ATOM 145 CG1 VAL A 7 35.722 40.565 34.165 1.00 0.00 C ATOM 146 CG2 VAL A 7 36.732 42.321 35.561 1.00 0.00 C ATOM 0 H VAL A 7 34.318 42.986 37.174 1.00 0.00 H new ATOM 0 HA VAL A 7 34.309 42.798 34.242 1.00 0.00 H new ATOM 0 HB VAL A 7 35.332 40.850 36.291 1.00 0.00 H new ATOM 0 HG11 VAL A 7 36.627 39.975 34.310 1.00 0.00 H new ATOM 0 HG12 VAL A 7 34.872 39.897 34.027 1.00 0.00 H new ATOM 0 HG13 VAL A 7 35.836 41.194 33.282 1.00 0.00 H new ATOM 0 HG21 VAL A 7 37.608 41.686 35.694 1.00 0.00 H new ATOM 0 HG22 VAL A 7 36.865 42.941 34.674 1.00 0.00 H new ATOM 0 HG23 VAL A 7 36.611 42.960 36.436 1.00 0.00 H new ATOM 156 N SER A 8 31.967 41.883 34.320 1.00 0.00 N ATOM 157 CA SER A 8 30.724 41.166 34.014 1.00 0.00 C ATOM 158 C SER A 8 30.954 39.895 33.181 1.00 0.00 C ATOM 159 O SER A 8 31.604 39.926 32.131 1.00 0.00 O ATOM 160 CB SER A 8 29.732 42.103 33.308 1.00 0.00 C ATOM 161 OG SER A 8 30.346 43.010 32.408 1.00 0.00 O ATOM 0 H SER A 8 32.018 42.797 33.871 1.00 0.00 H new ATOM 0 HA SER A 8 30.303 40.840 34.965 1.00 0.00 H new ATOM 0 HB2 SER A 8 29.003 41.502 32.764 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.181 42.668 34.060 1.00 0.00 H new ATOM 0 HG SER A 8 30.831 42.509 31.719 1.00 0.00 H new ATOM 167 N ARG A 9 30.393 38.760 33.630 1.00 0.00 N ATOM 168 CA ARG A 9 30.591 37.435 33.017 1.00 0.00 C ATOM 169 C ARG A 9 29.286 36.638 32.865 1.00 0.00 C ATOM 170 O ARG A 9 28.287 36.913 33.523 1.00 0.00 O ATOM 171 CB ARG A 9 31.684 36.667 33.802 1.00 0.00 C ATOM 172 CG ARG A 9 33.072 37.296 33.578 1.00 0.00 C ATOM 173 CD ARG A 9 34.251 36.550 34.207 1.00 0.00 C ATOM 174 NE ARG A 9 34.617 37.082 35.536 1.00 0.00 N ATOM 175 CZ ARG A 9 35.830 37.445 35.930 1.00 0.00 C ATOM 176 NH1 ARG A 9 36.861 37.453 35.137 1.00 0.00 N ATOM 177 NH2 ARG A 9 36.019 37.835 37.157 1.00 0.00 N ATOM 0 H ARG A 9 29.778 38.737 34.444 1.00 0.00 H new ATOM 0 HA ARG A 9 30.937 37.578 31.993 1.00 0.00 H new ATOM 0 HB2 ARG A 9 31.445 36.674 34.866 1.00 0.00 H new ATOM 0 HB3 ARG A 9 31.698 35.624 33.486 1.00 0.00 H new ATOM 0 HG2 ARG A 9 33.246 37.373 32.505 1.00 0.00 H new ATOM 0 HG3 ARG A 9 33.057 38.312 33.972 1.00 0.00 H new ATOM 0 HD2 ARG A 9 34.000 35.493 34.299 1.00 0.00 H new ATOM 0 HD3 ARG A 9 35.113 36.616 33.543 1.00 0.00 H new ATOM 0 HE ARG A 9 33.863 37.179 36.216 1.00 0.00 H new ATOM 0 HH11 ARG A 9 36.757 37.171 34.162 1.00 0.00 H new ATOM 0 HH12 ARG A 9 37.774 37.741 35.490 1.00 0.00 H new ATOM 0 HH21 ARG A 9 35.236 37.860 37.810 1.00 0.00 H new ATOM 0 HH22 ARG A 9 36.950 38.115 37.465 1.00 0.00 H new ATOM 191 N ILE A 10 29.304 35.652 31.971 1.00 0.00 N ATOM 192 CA ILE A 10 28.226 34.691 31.686 1.00 0.00 C ATOM 193 C ILE A 10 28.687 33.285 32.093 1.00 0.00 C ATOM 194 O ILE A 10 29.870 32.962 31.957 1.00 0.00 O ATOM 195 CB ILE A 10 27.821 34.745 30.190 1.00 0.00 C ATOM 196 CG1 ILE A 10 27.346 36.162 29.799 1.00 0.00 C ATOM 197 CG2 ILE A 10 26.754 33.687 29.850 1.00 0.00 C ATOM 198 CD1 ILE A 10 26.861 36.302 28.350 1.00 0.00 C ATOM 0 H ILE A 10 30.122 35.487 31.385 1.00 0.00 H new ATOM 0 HA ILE A 10 27.341 34.953 32.266 1.00 0.00 H new ATOM 0 HB ILE A 10 28.708 34.510 29.601 1.00 0.00 H new ATOM 0 HG12 ILE A 10 26.537 36.456 30.468 1.00 0.00 H new ATOM 0 HG13 ILE A 10 28.165 36.862 29.962 1.00 0.00 H new ATOM 0 HG21 ILE A 10 26.496 33.757 28.793 1.00 0.00 H new ATOM 0 HG22 ILE A 10 27.147 32.693 30.063 1.00 0.00 H new ATOM 0 HG23 ILE A 10 25.863 33.862 30.453 1.00 0.00 H new ATOM 0 HD11 ILE A 10 26.548 37.330 28.169 1.00 0.00 H new ATOM 0 HD12 ILE A 10 27.672 36.044 27.668 1.00 0.00 H new ATOM 0 HD13 ILE A 10 26.018 35.631 28.182 1.00 0.00 H new ATOM 210 N TYR A 11 27.754 32.446 32.552 1.00 0.00 N ATOM 211 CA TYR A 11 27.997 31.080 33.012 1.00 0.00 C ATOM 212 C TYR A 11 26.927 30.099 32.494 1.00 0.00 C ATOM 213 O TYR A 11 25.745 30.439 32.381 1.00 0.00 O ATOM 214 CB TYR A 11 28.072 31.121 34.548 1.00 0.00 C ATOM 215 CG TYR A 11 27.749 29.827 35.258 1.00 0.00 C ATOM 216 CD1 TYR A 11 26.411 29.541 35.580 1.00 0.00 C ATOM 217 CD2 TYR A 11 28.760 28.918 35.601 1.00 0.00 C ATOM 218 CE1 TYR A 11 26.076 28.358 36.260 1.00 0.00 C ATOM 219 CE2 TYR A 11 28.439 27.749 36.312 1.00 0.00 C ATOM 220 CZ TYR A 11 27.096 27.458 36.632 1.00 0.00 C ATOM 221 OH TYR A 11 26.789 26.307 37.278 1.00 0.00 O ATOM 0 H TYR A 11 26.771 32.712 32.615 1.00 0.00 H new ATOM 0 HA TYR A 11 28.937 30.704 32.609 1.00 0.00 H new ATOM 0 HB2 TYR A 11 29.077 31.430 34.836 1.00 0.00 H new ATOM 0 HB3 TYR A 11 27.388 31.890 34.906 1.00 0.00 H new ATOM 0 HD1 TYR A 11 25.633 30.237 35.302 1.00 0.00 H new ATOM 0 HD2 TYR A 11 29.784 29.116 35.319 1.00 0.00 H new ATOM 0 HE1 TYR A 11 25.045 28.140 36.496 1.00 0.00 H new ATOM 0 HE2 TYR A 11 29.223 27.071 36.615 1.00 0.00 H new ATOM 0 HH TYR A 11 25.827 26.135 37.200 1.00 0.00 H new ATOM 231 N VAL A 12 27.322 28.852 32.208 1.00 0.00 N ATOM 232 CA VAL A 12 26.384 27.750 31.929 1.00 0.00 C ATOM 233 C VAL A 12 26.801 26.479 32.665 1.00 0.00 C ATOM 234 O VAL A 12 27.812 25.859 32.333 1.00 0.00 O ATOM 235 CB VAL A 12 26.212 27.472 30.419 1.00 0.00 C ATOM 236 CG1 VAL A 12 25.072 26.468 30.202 1.00 0.00 C ATOM 237 CG2 VAL A 12 25.890 28.731 29.602 1.00 0.00 C ATOM 0 H VAL A 12 28.303 28.575 32.163 1.00 0.00 H new ATOM 0 HA VAL A 12 25.412 28.072 32.302 1.00 0.00 H new ATOM 0 HB VAL A 12 27.168 27.079 30.074 1.00 0.00 H new ATOM 0 HG11 VAL A 12 24.955 26.275 29.136 1.00 0.00 H new ATOM 0 HG12 VAL A 12 25.306 25.535 30.716 1.00 0.00 H new ATOM 0 HG13 VAL A 12 24.144 26.879 30.600 1.00 0.00 H new ATOM 0 HG21 VAL A 12 25.782 28.465 28.551 1.00 0.00 H new ATOM 0 HG22 VAL A 12 24.960 29.171 29.962 1.00 0.00 H new ATOM 0 HG23 VAL A 12 26.699 29.453 29.712 1.00 0.00 H new ATOM 247 N GLY A 13 25.990 26.079 33.645 1.00 0.00 N ATOM 248 CA GLY A 13 26.147 24.858 34.430 1.00 0.00 C ATOM 249 C GLY A 13 25.671 23.592 33.720 1.00 0.00 C ATOM 250 O GLY A 13 24.602 23.592 33.103 1.00 0.00 O ATOM 0 H GLY A 13 25.172 26.621 33.924 1.00 0.00 H new ATOM 0 HA2 GLY A 13 27.198 24.741 34.692 1.00 0.00 H new ATOM 0 HA3 GLY A 13 25.596 24.966 35.364 1.00 0.00 H new ATOM 254 N ASN A 14 26.455 22.517 33.871 1.00 0.00 N ATOM 255 CA ASN A 14 26.205 21.178 33.324 1.00 0.00 C ATOM 256 C ASN A 14 26.126 21.136 31.783 1.00 0.00 C ATOM 257 O ASN A 14 25.402 20.322 31.208 1.00 0.00 O ATOM 258 CB ASN A 14 25.019 20.507 34.050 1.00 0.00 C ATOM 259 CG ASN A 14 25.209 20.432 35.555 1.00 0.00 C ATOM 260 OD1 ASN A 14 24.947 21.364 36.296 1.00 0.00 O ATOM 261 ND2 ASN A 14 25.675 19.314 36.062 1.00 0.00 N ATOM 0 H ASN A 14 27.323 22.560 34.404 1.00 0.00 H new ATOM 0 HA ASN A 14 27.084 20.568 33.534 1.00 0.00 H new ATOM 0 HB2 ASN A 14 24.106 21.061 33.832 1.00 0.00 H new ATOM 0 HB3 ASN A 14 24.882 19.500 33.656 1.00 0.00 H new ATOM 0 HD21 ASN A 14 25.815 19.230 37.069 1.00 0.00 H new ATOM 0 HD22 ASN A 14 25.897 18.529 35.449 1.00 0.00 H new ATOM 268 N LEU A 15 26.885 22.005 31.113 1.00 0.00 N ATOM 269 CA LEU A 15 26.986 22.083 29.657 1.00 0.00 C ATOM 270 C LEU A 15 27.744 20.862 29.081 1.00 0.00 C ATOM 271 O LEU A 15 28.900 20.661 29.450 1.00 0.00 O ATOM 272 CB LEU A 15 27.677 23.417 29.316 1.00 0.00 C ATOM 273 CG LEU A 15 27.929 23.632 27.807 1.00 0.00 C ATOM 274 CD1 LEU A 15 27.410 25.000 27.358 1.00 0.00 C ATOM 275 CD2 LEU A 15 29.423 23.561 27.487 1.00 0.00 C ATOM 0 H LEU A 15 27.466 22.697 31.587 1.00 0.00 H new ATOM 0 HA LEU A 15 25.997 22.056 29.199 1.00 0.00 H new ATOM 0 HB2 LEU A 15 27.064 24.237 29.691 1.00 0.00 H new ATOM 0 HB3 LEU A 15 28.630 23.465 29.843 1.00 0.00 H new ATOM 0 HG LEU A 15 27.399 22.841 27.277 1.00 0.00 H new ATOM 0 HD11 LEU A 15 27.599 25.129 26.292 1.00 0.00 H new ATOM 0 HD12 LEU A 15 26.338 25.063 27.547 1.00 0.00 H new ATOM 0 HD13 LEU A 15 27.923 25.784 27.915 1.00 0.00 H new ATOM 0 HD21 LEU A 15 29.574 23.715 26.419 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.952 24.335 28.044 1.00 0.00 H new ATOM 0 HD23 LEU A 15 29.810 22.582 27.770 1.00 0.00 H new ATOM 287 N PRO A 16 27.149 20.059 28.175 1.00 0.00 N ATOM 288 CA PRO A 16 27.865 19.016 27.433 1.00 0.00 C ATOM 289 C PRO A 16 28.767 19.612 26.335 1.00 0.00 C ATOM 290 O PRO A 16 28.663 20.801 26.026 1.00 0.00 O ATOM 291 CB PRO A 16 26.759 18.141 26.837 1.00 0.00 C ATOM 292 CG PRO A 16 25.632 19.137 26.575 1.00 0.00 C ATOM 293 CD PRO A 16 25.756 20.111 27.747 1.00 0.00 C ATOM 0 HA PRO A 16 28.539 18.449 28.075 1.00 0.00 H new ATOM 0 HB2 PRO A 16 27.084 17.650 25.920 1.00 0.00 H new ATOM 0 HB3 PRO A 16 26.450 17.356 27.527 1.00 0.00 H new ATOM 0 HG2 PRO A 16 25.754 19.641 25.616 1.00 0.00 H new ATOM 0 HG3 PRO A 16 24.658 18.649 26.557 1.00 0.00 H new ATOM 0 HD2 PRO A 16 25.479 21.121 27.444 1.00 0.00 H new ATOM 0 HD3 PRO A 16 25.088 19.828 28.561 1.00 0.00 H new ATOM 301 N SER A 17 29.588 18.789 25.671 1.00 0.00 N ATOM 302 CA SER A 17 30.463 19.194 24.545 1.00 0.00 C ATOM 303 C SER A 17 29.700 19.501 23.233 1.00 0.00 C ATOM 304 O SER A 17 30.048 19.054 22.142 1.00 0.00 O ATOM 305 CB SER A 17 31.601 18.179 24.364 1.00 0.00 C ATOM 306 OG SER A 17 32.584 18.694 23.486 1.00 0.00 O ATOM 0 H SER A 17 29.670 17.799 25.901 1.00 0.00 H new ATOM 0 HA SER A 17 30.908 20.152 24.813 1.00 0.00 H new ATOM 0 HB2 SER A 17 32.051 17.951 25.330 1.00 0.00 H new ATOM 0 HB3 SER A 17 31.204 17.244 23.968 1.00 0.00 H new ATOM 0 HG SER A 17 32.175 18.895 22.618 1.00 0.00 H new ATOM 312 N HIS A 18 28.620 20.276 23.326 1.00 0.00 N ATOM 313 CA HIS A 18 27.935 20.906 22.190 1.00 0.00 C ATOM 314 C HIS A 18 28.772 22.048 21.589 1.00 0.00 C ATOM 315 O HIS A 18 28.708 22.287 20.383 1.00 0.00 O ATOM 316 CB HIS A 18 26.554 21.371 22.684 1.00 0.00 C ATOM 317 CG HIS A 18 25.801 22.301 21.760 1.00 0.00 C ATOM 318 ND1 HIS A 18 25.417 22.030 20.443 1.00 0.00 N ATOM 319 CD2 HIS A 18 25.323 23.529 22.117 1.00 0.00 C ATOM 320 CE1 HIS A 18 24.751 23.125 20.030 1.00 0.00 C ATOM 321 NE2 HIS A 18 24.666 24.029 21.016 1.00 0.00 N ATOM 0 H HIS A 18 28.181 20.492 24.221 1.00 0.00 H new ATOM 0 HA HIS A 18 27.804 20.194 21.375 1.00 0.00 H new ATOM 0 HB2 HIS A 18 25.938 20.490 22.862 1.00 0.00 H new ATOM 0 HB3 HIS A 18 26.682 21.870 23.645 1.00 0.00 H new ATOM 0 HD2 HIS A 18 25.438 24.013 23.076 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.341 23.257 19.039 1.00 0.00 H new ATOM 0 HE2 HIS A 18 24.195 24.932 20.960 1.00 0.00 H new ATOM 329 N VAL A 19 29.614 22.704 22.396 1.00 0.00 N ATOM 330 CA VAL A 19 30.524 23.788 21.988 1.00 0.00 C ATOM 331 C VAL A 19 31.903 23.610 22.637 1.00 0.00 C ATOM 332 O VAL A 19 31.997 23.307 23.825 1.00 0.00 O ATOM 333 CB VAL A 19 29.931 25.183 22.298 1.00 0.00 C ATOM 334 CG1 VAL A 19 28.651 25.447 21.495 1.00 0.00 C ATOM 335 CG2 VAL A 19 29.592 25.404 23.778 1.00 0.00 C ATOM 0 H VAL A 19 29.685 22.488 23.390 1.00 0.00 H new ATOM 0 HA VAL A 19 30.647 23.728 20.907 1.00 0.00 H new ATOM 0 HB VAL A 19 30.724 25.874 22.014 1.00 0.00 H new ATOM 0 HG11 VAL A 19 28.265 26.436 21.740 1.00 0.00 H new ATOM 0 HG12 VAL A 19 28.874 25.399 20.429 1.00 0.00 H new ATOM 0 HG13 VAL A 19 27.903 24.694 21.744 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.182 26.405 23.912 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.857 24.665 24.097 1.00 0.00 H new ATOM 0 HG23 VAL A 19 30.496 25.299 24.378 1.00 0.00 H new ATOM 345 N SER A 20 32.976 23.789 21.861 1.00 0.00 N ATOM 346 CA SER A 20 34.363 23.800 22.357 1.00 0.00 C ATOM 347 C SER A 20 34.804 25.216 22.758 1.00 0.00 C ATOM 348 O SER A 20 34.117 26.192 22.456 1.00 0.00 O ATOM 349 CB SER A 20 35.294 23.219 21.282 1.00 0.00 C ATOM 350 OG SER A 20 35.353 24.048 20.134 1.00 0.00 O ATOM 0 H SER A 20 32.908 23.933 20.853 1.00 0.00 H new ATOM 0 HA SER A 20 34.419 23.181 23.252 1.00 0.00 H new ATOM 0 HB2 SER A 20 36.295 23.098 21.695 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.945 22.227 20.996 1.00 0.00 H new ATOM 0 HG SER A 20 35.955 23.648 19.472 1.00 0.00 H new ATOM 356 N SER A 21 35.976 25.369 23.389 1.00 0.00 N ATOM 357 CA SER A 21 36.515 26.697 23.748 1.00 0.00 C ATOM 358 C SER A 21 36.761 27.615 22.539 1.00 0.00 C ATOM 359 O SER A 21 36.689 28.832 22.692 1.00 0.00 O ATOM 360 CB SER A 21 37.780 26.557 24.601 1.00 0.00 C ATOM 361 OG SER A 21 38.803 25.796 23.978 1.00 0.00 O ATOM 0 H SER A 21 36.574 24.590 23.664 1.00 0.00 H new ATOM 0 HA SER A 21 35.740 27.188 24.337 1.00 0.00 H new ATOM 0 HB2 SER A 21 38.166 27.550 24.830 1.00 0.00 H new ATOM 0 HB3 SER A 21 37.518 26.090 25.551 1.00 0.00 H new ATOM 0 HG SER A 21 39.581 25.746 24.572 1.00 0.00 H new ATOM 367 N ARG A 22 36.944 27.047 21.334 1.00 0.00 N ATOM 368 CA ARG A 22 36.834 27.755 20.044 1.00 0.00 C ATOM 369 C ARG A 22 35.402 28.201 19.771 1.00 0.00 C ATOM 370 O ARG A 22 35.163 29.372 19.499 1.00 0.00 O ATOM 371 CB ARG A 22 37.390 26.855 18.916 1.00 0.00 C ATOM 372 CG ARG A 22 37.080 27.263 17.456 1.00 0.00 C ATOM 373 CD ARG A 22 35.668 26.871 16.962 1.00 0.00 C ATOM 374 NE ARG A 22 35.651 26.397 15.568 1.00 0.00 N ATOM 375 CZ ARG A 22 34.589 26.130 14.824 1.00 0.00 C ATOM 376 NH1 ARG A 22 33.342 26.310 15.161 1.00 0.00 N ATOM 377 NH2 ARG A 22 34.757 25.646 13.636 1.00 0.00 N ATOM 0 H ARG A 22 37.178 26.060 21.226 1.00 0.00 H new ATOM 0 HA ARG A 22 37.432 28.665 20.085 1.00 0.00 H new ATOM 0 HB2 ARG A 22 38.473 26.806 19.028 1.00 0.00 H new ATOM 0 HB3 ARG A 22 37.007 25.846 19.071 1.00 0.00 H new ATOM 0 HG2 ARG A 22 37.196 28.343 17.362 1.00 0.00 H new ATOM 0 HG3 ARG A 22 37.820 26.805 16.800 1.00 0.00 H new ATOM 0 HD2 ARG A 22 35.268 26.091 17.609 1.00 0.00 H new ATOM 0 HD3 ARG A 22 35.006 27.732 17.054 1.00 0.00 H new ATOM 0 HE ARG A 22 36.560 26.259 15.126 1.00 0.00 H new ATOM 0 HH11 ARG A 22 33.112 26.692 16.078 1.00 0.00 H new ATOM 0 HH12 ARG A 22 32.597 26.069 14.507 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.699 25.475 13.284 1.00 0.00 H new ATOM 0 HH22 ARG A 22 33.948 25.436 13.052 1.00 0.00 H new ATOM 391 N ASP A 23 34.447 27.272 19.784 1.00 0.00 N ATOM 392 CA ASP A 23 33.115 27.544 19.237 1.00 0.00 C ATOM 393 C ASP A 23 32.268 28.494 20.094 1.00 0.00 C ATOM 394 O ASP A 23 31.439 29.229 19.556 1.00 0.00 O ATOM 395 CB ASP A 23 32.372 26.237 18.952 1.00 0.00 C ATOM 396 CG ASP A 23 31.154 26.557 18.091 1.00 0.00 C ATOM 397 OD1 ASP A 23 31.323 27.180 17.021 1.00 0.00 O ATOM 398 OD2 ASP A 23 30.007 26.347 18.529 1.00 0.00 O ATOM 0 H ASP A 23 34.567 26.333 20.163 1.00 0.00 H new ATOM 0 HA ASP A 23 33.277 28.074 18.298 1.00 0.00 H new ATOM 0 HB2 ASP A 23 33.026 25.533 18.438 1.00 0.00 H new ATOM 0 HB3 ASP A 23 32.064 25.764 19.885 1.00 0.00 H new ATOM 403 N VAL A 24 32.536 28.548 21.404 1.00 0.00 N ATOM 404 CA VAL A 24 31.940 29.533 22.323 1.00 0.00 C ATOM 405 C VAL A 24 32.184 30.975 21.848 1.00 0.00 C ATOM 406 O VAL A 24 31.316 31.817 22.044 1.00 0.00 O ATOM 407 CB VAL A 24 32.463 29.305 23.760 1.00 0.00 C ATOM 408 CG1 VAL A 24 32.001 30.366 24.769 1.00 0.00 C ATOM 409 CG2 VAL A 24 31.964 27.973 24.334 1.00 0.00 C ATOM 0 H VAL A 24 33.179 27.903 21.864 1.00 0.00 H new ATOM 0 HA VAL A 24 30.860 29.387 22.327 1.00 0.00 H new ATOM 0 HB VAL A 24 33.546 29.339 23.645 1.00 0.00 H new ATOM 0 HG11 VAL A 24 32.410 30.135 25.753 1.00 0.00 H new ATOM 0 HG12 VAL A 24 32.352 31.348 24.451 1.00 0.00 H new ATOM 0 HG13 VAL A 24 30.912 30.370 24.820 1.00 0.00 H new ATOM 0 HG21 VAL A 24 32.350 27.845 25.345 1.00 0.00 H new ATOM 0 HG22 VAL A 24 30.874 27.973 24.359 1.00 0.00 H new ATOM 0 HG23 VAL A 24 32.312 27.153 23.706 1.00 0.00 H new ATOM 419 N GLU A 25 33.300 31.273 21.172 1.00 0.00 N ATOM 420 CA GLU A 25 33.568 32.611 20.629 1.00 0.00 C ATOM 421 C GLU A 25 32.584 33.000 19.513 1.00 0.00 C ATOM 422 O GLU A 25 31.895 34.015 19.622 1.00 0.00 O ATOM 423 CB GLU A 25 35.023 32.689 20.145 1.00 0.00 C ATOM 424 CG GLU A 25 35.396 34.080 19.615 1.00 0.00 C ATOM 425 CD GLU A 25 36.910 34.254 19.457 1.00 0.00 C ATOM 426 OE1 GLU A 25 37.696 33.279 19.498 1.00 0.00 O ATOM 427 OE2 GLU A 25 37.389 35.397 19.305 1.00 0.00 O ATOM 0 H GLU A 25 34.040 30.597 20.986 1.00 0.00 H new ATOM 0 HA GLU A 25 33.419 33.335 21.430 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.690 32.427 20.967 1.00 0.00 H new ATOM 0 HB3 GLU A 25 35.180 31.951 19.359 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.911 34.242 18.652 1.00 0.00 H new ATOM 0 HG3 GLU A 25 35.014 34.841 20.296 1.00 0.00 H new ATOM 434 N ASN A 26 32.466 32.177 18.464 1.00 0.00 N ATOM 435 CA ASN A 26 31.487 32.395 17.392 1.00 0.00 C ATOM 436 C ASN A 26 30.042 32.357 17.910 1.00 0.00 C ATOM 437 O ASN A 26 29.193 33.097 17.412 1.00 0.00 O ATOM 438 CB ASN A 26 31.693 31.353 16.279 1.00 0.00 C ATOM 439 CG ASN A 26 32.909 31.663 15.433 1.00 0.00 C ATOM 440 OD1 ASN A 26 34.014 31.240 15.718 1.00 0.00 O ATOM 441 ND2 ASN A 26 32.747 32.423 14.375 1.00 0.00 N ATOM 0 H ASN A 26 33.043 31.346 18.334 1.00 0.00 H new ATOM 0 HA ASN A 26 31.652 33.394 16.988 1.00 0.00 H new ATOM 0 HB2 ASN A 26 31.803 30.364 16.724 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.808 31.320 15.644 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.548 32.660 13.790 1.00 0.00 H new ATOM 0 HD22 ASN A 26 31.820 32.776 14.138 1.00 0.00 H new ATOM 448 N GLU A 27 29.759 31.536 18.922 1.00 0.00 N ATOM 449 CA GLU A 27 28.437 31.463 19.535 1.00 0.00 C ATOM 450 C GLU A 27 28.072 32.753 20.284 1.00 0.00 C ATOM 451 O GLU A 27 27.010 33.329 20.047 1.00 0.00 O ATOM 452 CB GLU A 27 28.369 30.221 20.448 1.00 0.00 C ATOM 453 CG GLU A 27 26.957 29.639 20.574 1.00 0.00 C ATOM 454 CD GLU A 27 26.396 29.161 19.228 1.00 0.00 C ATOM 455 OE1 GLU A 27 27.153 28.893 18.267 1.00 0.00 O ATOM 456 OE2 GLU A 27 25.151 29.138 19.076 1.00 0.00 O ATOM 0 H GLU A 27 30.442 30.903 19.338 1.00 0.00 H new ATOM 0 HA GLU A 27 27.691 31.361 18.747 1.00 0.00 H new ATOM 0 HB2 GLU A 27 29.037 29.454 20.057 1.00 0.00 H new ATOM 0 HB3 GLU A 27 28.735 30.487 21.440 1.00 0.00 H new ATOM 0 HG2 GLU A 27 26.973 28.804 21.274 1.00 0.00 H new ATOM 0 HG3 GLU A 27 26.292 30.394 20.993 1.00 0.00 H new ATOM 463 N PHE A 28 28.966 33.254 21.147 1.00 0.00 N ATOM 464 CA PHE A 28 28.703 34.434 21.970 1.00 0.00 C ATOM 465 C PHE A 28 28.936 35.779 21.264 1.00 0.00 C ATOM 466 O PHE A 28 28.368 36.782 21.699 1.00 0.00 O ATOM 467 CB PHE A 28 29.398 34.310 23.331 1.00 0.00 C ATOM 468 CG PHE A 28 28.567 33.461 24.281 1.00 0.00 C ATOM 469 CD1 PHE A 28 28.693 32.061 24.283 1.00 0.00 C ATOM 470 CD2 PHE A 28 27.574 34.069 25.077 1.00 0.00 C ATOM 471 CE1 PHE A 28 27.860 31.271 25.095 1.00 0.00 C ATOM 472 CE2 PHE A 28 26.730 33.280 25.878 1.00 0.00 C ATOM 473 CZ PHE A 28 26.876 31.882 25.895 1.00 0.00 C ATOM 0 H PHE A 28 29.891 32.850 21.292 1.00 0.00 H new ATOM 0 HA PHE A 28 27.629 34.451 22.154 1.00 0.00 H new ATOM 0 HB2 PHE A 28 30.384 33.863 23.203 1.00 0.00 H new ATOM 0 HB3 PHE A 28 29.551 35.301 23.759 1.00 0.00 H new ATOM 0 HD1 PHE A 28 29.435 31.589 23.656 1.00 0.00 H new ATOM 0 HD2 PHE A 28 27.462 35.143 25.071 1.00 0.00 H new ATOM 0 HE1 PHE A 28 27.975 30.197 25.105 1.00 0.00 H new ATOM 0 HE2 PHE A 28 25.967 33.749 26.482 1.00 0.00 H new ATOM 0 HZ PHE A 28 26.235 31.278 26.520 1.00 0.00 H new ATOM 483 N ARG A 29 29.638 35.825 20.123 1.00 0.00 N ATOM 484 CA ARG A 29 29.770 37.045 19.300 1.00 0.00 C ATOM 485 C ARG A 29 28.441 37.655 18.842 1.00 0.00 C ATOM 486 O ARG A 29 28.366 38.872 18.682 1.00 0.00 O ATOM 487 CB ARG A 29 30.689 36.778 18.091 1.00 0.00 C ATOM 488 CG ARG A 29 32.159 37.108 18.407 1.00 0.00 C ATOM 489 CD ARG A 29 33.002 37.021 17.126 1.00 0.00 C ATOM 490 NE ARG A 29 34.280 37.761 17.213 1.00 0.00 N ATOM 491 CZ ARG A 29 34.421 39.076 17.172 1.00 0.00 C ATOM 492 NH1 ARG A 29 33.419 39.895 17.307 1.00 0.00 N ATOM 493 NH2 ARG A 29 35.579 39.620 16.948 1.00 0.00 N ATOM 0 H ARG A 29 30.132 35.019 19.741 1.00 0.00 H new ATOM 0 HA ARG A 29 30.219 37.792 19.954 1.00 0.00 H new ATOM 0 HB2 ARG A 29 30.607 35.732 17.796 1.00 0.00 H new ATOM 0 HB3 ARG A 29 30.356 37.376 17.242 1.00 0.00 H new ATOM 0 HG2 ARG A 29 32.232 38.108 18.834 1.00 0.00 H new ATOM 0 HG3 ARG A 29 32.544 36.414 19.154 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.211 35.974 16.908 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.421 37.411 16.290 1.00 0.00 H new ATOM 0 HE ARG A 29 35.130 37.207 17.314 1.00 0.00 H new ATOM 0 HH11 ARG A 29 32.478 39.530 17.451 1.00 0.00 H new ATOM 0 HH12 ARG A 29 33.575 40.902 17.269 1.00 0.00 H new ATOM 0 HH21 ARG A 29 36.399 39.032 16.800 1.00 0.00 H new ATOM 0 HH22 ARG A 29 35.668 40.636 16.920 1.00 0.00 H new ATOM 507 N LYS A 30 27.367 36.863 18.686 1.00 0.00 N ATOM 508 CA LYS A 30 26.025 37.412 18.387 1.00 0.00 C ATOM 509 C LYS A 30 25.378 38.117 19.584 1.00 0.00 C ATOM 510 O LYS A 30 24.542 39.000 19.405 1.00 0.00 O ATOM 511 CB LYS A 30 25.132 36.330 17.743 1.00 0.00 C ATOM 512 CG LYS A 30 24.373 35.364 18.673 1.00 0.00 C ATOM 513 CD LYS A 30 23.016 35.909 19.166 1.00 0.00 C ATOM 514 CE LYS A 30 22.161 34.802 19.796 1.00 0.00 C ATOM 515 NZ LYS A 30 20.718 35.128 19.701 1.00 0.00 N ATOM 0 H LYS A 30 27.397 35.846 18.761 1.00 0.00 H new ATOM 0 HA LYS A 30 26.147 38.207 17.652 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.397 36.835 17.116 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.758 35.732 17.081 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.207 34.424 18.147 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.999 35.139 19.537 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.184 36.700 19.896 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.477 36.356 18.331 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.358 33.855 19.293 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.440 34.672 20.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.185 34.547 20.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.574 36.135 19.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.380 34.932 18.737 1.00 0.00 H new ATOM 529 N TYR A 31 25.752 37.741 20.809 1.00 0.00 N ATOM 530 CA TYR A 31 25.150 38.268 22.035 1.00 0.00 C ATOM 531 C TYR A 31 25.569 39.730 22.218 1.00 0.00 C ATOM 532 O TYR A 31 24.697 40.589 22.318 1.00 0.00 O ATOM 533 CB TYR A 31 25.482 37.382 23.261 1.00 0.00 C ATOM 534 CG TYR A 31 24.874 35.980 23.260 1.00 0.00 C ATOM 535 CD1 TYR A 31 25.163 35.071 22.225 1.00 0.00 C ATOM 536 CD2 TYR A 31 24.013 35.570 24.300 1.00 0.00 C ATOM 537 CE1 TYR A 31 24.541 33.812 22.166 1.00 0.00 C ATOM 538 CE2 TYR A 31 23.399 34.298 24.257 1.00 0.00 C ATOM 539 CZ TYR A 31 23.635 33.430 23.172 1.00 0.00 C ATOM 540 OH TYR A 31 22.966 32.253 23.054 1.00 0.00 O ATOM 0 H TYR A 31 26.488 37.056 20.979 1.00 0.00 H new ATOM 0 HA TYR A 31 24.064 38.241 21.946 1.00 0.00 H new ATOM 0 HB2 TYR A 31 26.565 37.286 23.332 1.00 0.00 H new ATOM 0 HB3 TYR A 31 25.148 37.900 24.160 1.00 0.00 H new ATOM 0 HD1 TYR A 31 25.876 35.346 21.462 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.822 36.231 25.132 1.00 0.00 H new ATOM 0 HE1 TYR A 31 24.758 33.139 21.350 1.00 0.00 H new ATOM 0 HE2 TYR A 31 22.746 33.989 25.060 1.00 0.00 H new ATOM 0 HH TYR A 31 23.053 31.742 23.886 1.00 0.00 H new ATOM 550 N GLY A 32 26.872 40.027 22.141 1.00 0.00 N ATOM 551 CA GLY A 32 27.442 41.378 22.219 1.00 0.00 C ATOM 552 C GLY A 32 28.978 41.356 22.177 1.00 0.00 C ATOM 553 O GLY A 32 29.567 40.401 21.668 1.00 0.00 O ATOM 0 H GLY A 32 27.584 39.307 22.018 1.00 0.00 H new ATOM 0 HA2 GLY A 32 27.065 41.979 21.392 1.00 0.00 H new ATOM 0 HA3 GLY A 32 27.111 41.859 23.139 1.00 0.00 H new ATOM 557 N ASN A 33 29.640 42.372 22.742 1.00 0.00 N ATOM 558 CA ASN A 33 31.109 42.408 22.869 1.00 0.00 C ATOM 559 C ASN A 33 31.627 41.411 23.933 1.00 0.00 C ATOM 560 O ASN A 33 31.855 41.769 25.092 1.00 0.00 O ATOM 561 CB ASN A 33 31.598 43.851 23.136 1.00 0.00 C ATOM 562 CG ASN A 33 31.854 44.648 21.871 1.00 0.00 C ATOM 563 OD1 ASN A 33 32.988 44.920 21.507 1.00 0.00 O ATOM 564 ND2 ASN A 33 30.830 45.035 21.147 1.00 0.00 N ATOM 0 H ASN A 33 29.176 43.195 23.126 1.00 0.00 H new ATOM 0 HA ASN A 33 31.533 42.084 21.919 1.00 0.00 H new ATOM 0 HB2 ASN A 33 30.855 44.372 23.740 1.00 0.00 H new ATOM 0 HB3 ASN A 33 32.515 43.812 23.723 1.00 0.00 H new ATOM 0 HD21 ASN A 33 30.983 45.560 20.286 1.00 0.00 H new ATOM 0 HD22 ASN A 33 29.881 44.811 21.445 1.00 0.00 H new ATOM 571 N ILE A 34 31.816 40.160 23.504 1.00 0.00 N ATOM 572 CA ILE A 34 32.621 39.126 24.169 1.00 0.00 C ATOM 573 C ILE A 34 34.114 39.475 24.080 1.00 0.00 C ATOM 574 O ILE A 34 34.600 39.868 23.022 1.00 0.00 O ATOM 575 CB ILE A 34 32.302 37.720 23.588 1.00 0.00 C ATOM 576 CG1 ILE A 34 33.188 36.577 24.146 1.00 0.00 C ATOM 577 CG2 ILE A 34 32.256 37.672 22.049 1.00 0.00 C ATOM 578 CD1 ILE A 34 34.510 36.262 23.425 1.00 0.00 C ATOM 0 H ILE A 34 31.391 39.822 22.640 1.00 0.00 H new ATOM 0 HA ILE A 34 32.359 39.094 25.227 1.00 0.00 H new ATOM 0 HB ILE A 34 31.290 37.536 23.948 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.423 36.815 25.183 1.00 0.00 H new ATOM 0 HG13 ILE A 34 32.589 35.666 24.156 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.028 36.657 21.723 1.00 0.00 H new ATOM 0 HG22 ILE A 34 31.484 38.351 21.687 1.00 0.00 H new ATOM 0 HG23 ILE A 34 33.223 37.973 21.647 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.015 35.440 23.933 1.00 0.00 H new ATOM 0 HD12 ILE A 34 34.303 35.978 22.393 1.00 0.00 H new ATOM 0 HD13 ILE A 34 35.150 37.144 23.437 1.00 0.00 H new ATOM 590 N LEU A 35 34.842 39.304 25.189 1.00 0.00 N ATOM 591 CA LEU A 35 36.287 39.557 25.298 1.00 0.00 C ATOM 592 C LEU A 35 37.118 38.260 25.321 1.00 0.00 C ATOM 593 O LEU A 35 38.130 38.159 24.625 1.00 0.00 O ATOM 594 CB LEU A 35 36.554 40.400 26.563 1.00 0.00 C ATOM 595 CG LEU A 35 35.757 41.717 26.675 1.00 0.00 C ATOM 596 CD1 LEU A 35 36.162 42.441 27.956 1.00 0.00 C ATOM 597 CD2 LEU A 35 36.003 42.658 25.493 1.00 0.00 C ATOM 0 H LEU A 35 34.431 38.976 26.063 1.00 0.00 H new ATOM 0 HA LEU A 35 36.602 40.104 24.409 1.00 0.00 H new ATOM 0 HB2 LEU A 35 36.332 39.788 27.437 1.00 0.00 H new ATOM 0 HB3 LEU A 35 37.617 40.637 26.601 1.00 0.00 H new ATOM 0 HG LEU A 35 34.700 41.452 26.681 1.00 0.00 H new ATOM 0 HD11 LEU A 35 35.602 43.372 28.040 1.00 0.00 H new ATOM 0 HD12 LEU A 35 35.945 41.808 28.816 1.00 0.00 H new ATOM 0 HD13 LEU A 35 37.229 42.661 27.928 1.00 0.00 H new ATOM 0 HD21 LEU A 35 35.417 43.568 25.624 1.00 0.00 H new ATOM 0 HD22 LEU A 35 37.062 42.912 25.444 1.00 0.00 H new ATOM 0 HD23 LEU A 35 35.705 42.165 24.568 1.00 0.00 H new ATOM 609 N LYS A 36 36.675 37.265 26.109 1.00 0.00 N ATOM 610 CA LYS A 36 37.339 35.966 26.337 1.00 0.00 C ATOM 611 C LYS A 36 36.305 34.876 26.644 1.00 0.00 C ATOM 612 O LYS A 36 35.244 35.158 27.199 1.00 0.00 O ATOM 613 CB LYS A 36 38.386 36.128 27.467 1.00 0.00 C ATOM 614 CG LYS A 36 39.295 34.906 27.728 1.00 0.00 C ATOM 615 CD LYS A 36 38.815 34.001 28.880 1.00 0.00 C ATOM 616 CE LYS A 36 39.661 32.722 29.009 1.00 0.00 C ATOM 617 NZ LYS A 36 40.949 32.953 29.710 1.00 0.00 N ATOM 0 H LYS A 36 35.802 37.347 26.630 1.00 0.00 H new ATOM 0 HA LYS A 36 37.861 35.648 25.434 1.00 0.00 H new ATOM 0 HB2 LYS A 36 39.019 36.983 27.229 1.00 0.00 H new ATOM 0 HB3 LYS A 36 37.860 36.369 28.391 1.00 0.00 H new ATOM 0 HG2 LYS A 36 39.359 34.312 26.816 1.00 0.00 H new ATOM 0 HG3 LYS A 36 40.303 35.257 27.951 1.00 0.00 H new ATOM 0 HD2 LYS A 36 38.855 34.557 29.817 1.00 0.00 H new ATOM 0 HD3 LYS A 36 37.772 33.729 28.715 1.00 0.00 H new ATOM 0 HE2 LYS A 36 39.089 31.967 29.548 1.00 0.00 H new ATOM 0 HE3 LYS A 36 39.860 32.322 28.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 41.649 32.253 29.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 41.294 33.910 29.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 40.808 32.858 30.736 1.00 0.00 H new ATOM 631 N CYS A 37 36.628 33.626 26.320 1.00 0.00 N ATOM 632 CA CYS A 37 35.810 32.437 26.580 1.00 0.00 C ATOM 633 C CYS A 37 36.684 31.243 26.999 1.00 0.00 C ATOM 634 O CYS A 37 37.855 31.184 26.629 1.00 0.00 O ATOM 635 CB CYS A 37 34.995 32.119 25.315 1.00 0.00 C ATOM 636 SG CYS A 37 36.044 31.994 23.830 1.00 0.00 S ATOM 0 H CYS A 37 37.504 33.401 25.849 1.00 0.00 H new ATOM 0 HA CYS A 37 35.130 32.633 27.409 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.458 31.181 25.458 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.246 32.896 25.163 1.00 0.00 H new ATOM 0 HG CYS A 37 36.205 30.743 23.516 1.00 0.00 H new ATOM 642 N ASP A 38 36.126 30.297 27.761 1.00 0.00 N ATOM 643 CA ASP A 38 36.690 28.947 27.948 1.00 0.00 C ATOM 644 C ASP A 38 35.655 27.966 28.545 1.00 0.00 C ATOM 645 O ASP A 38 34.568 28.377 28.963 1.00 0.00 O ATOM 646 CB ASP A 38 37.943 28.993 28.849 1.00 0.00 C ATOM 647 CG ASP A 38 38.956 27.880 28.537 1.00 0.00 C ATOM 648 OD1 ASP A 38 38.673 26.989 27.702 1.00 0.00 O ATOM 649 OD2 ASP A 38 40.046 27.902 29.151 1.00 0.00 O ATOM 0 H ASP A 38 35.257 30.445 28.275 1.00 0.00 H new ATOM 0 HA ASP A 38 36.972 28.583 26.960 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.430 29.961 28.733 1.00 0.00 H new ATOM 0 HB3 ASP A 38 37.636 28.913 29.892 1.00 0.00 H new ATOM 654 N VAL A 39 36.011 26.678 28.629 1.00 0.00 N ATOM 655 CA VAL A 39 35.207 25.625 29.278 1.00 0.00 C ATOM 656 C VAL A 39 35.973 24.929 30.416 1.00 0.00 C ATOM 657 O VAL A 39 37.058 24.378 30.215 1.00 0.00 O ATOM 658 CB VAL A 39 34.623 24.620 28.258 1.00 0.00 C ATOM 659 CG1 VAL A 39 33.645 25.311 27.296 1.00 0.00 C ATOM 660 CG2 VAL A 39 35.673 23.883 27.410 1.00 0.00 C ATOM 0 H VAL A 39 36.886 26.327 28.240 1.00 0.00 H new ATOM 0 HA VAL A 39 34.354 26.123 29.739 1.00 0.00 H new ATOM 0 HB VAL A 39 34.117 23.879 28.877 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.251 24.580 26.591 1.00 0.00 H new ATOM 0 HG12 VAL A 39 32.823 25.747 27.864 1.00 0.00 H new ATOM 0 HG13 VAL A 39 34.166 26.097 26.750 1.00 0.00 H new ATOM 0 HG21 VAL A 39 35.172 23.200 26.724 1.00 0.00 H new ATOM 0 HG22 VAL A 39 36.255 24.608 26.840 1.00 0.00 H new ATOM 0 HG23 VAL A 39 36.337 23.318 28.064 1.00 0.00 H new ATOM 670 N LYS A 40 35.394 24.939 31.624 1.00 0.00 N ATOM 671 CA LYS A 40 35.842 24.166 32.803 1.00 0.00 C ATOM 672 C LYS A 40 35.140 22.801 32.865 1.00 0.00 C ATOM 673 O LYS A 40 34.090 22.597 32.259 1.00 0.00 O ATOM 674 CB LYS A 40 35.576 24.958 34.107 1.00 0.00 C ATOM 675 CG LYS A 40 36.679 25.967 34.484 1.00 0.00 C ATOM 676 CD LYS A 40 36.480 26.465 35.932 1.00 0.00 C ATOM 677 CE LYS A 40 37.597 27.423 36.367 1.00 0.00 C ATOM 678 NZ LYS A 40 37.481 27.812 37.796 1.00 0.00 N ATOM 0 H LYS A 40 34.569 25.506 31.820 1.00 0.00 H new ATOM 0 HA LYS A 40 36.915 23.999 32.705 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.632 25.494 34.005 1.00 0.00 H new ATOM 0 HB3 LYS A 40 35.454 24.251 34.927 1.00 0.00 H new ATOM 0 HG2 LYS A 40 37.658 25.499 34.385 1.00 0.00 H new ATOM 0 HG3 LYS A 40 36.659 26.812 33.796 1.00 0.00 H new ATOM 0 HD2 LYS A 40 35.517 26.970 36.013 1.00 0.00 H new ATOM 0 HD3 LYS A 40 36.450 25.611 36.609 1.00 0.00 H new ATOM 0 HE2 LYS A 40 38.564 26.950 36.199 1.00 0.00 H new ATOM 0 HE3 LYS A 40 37.568 28.318 35.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 38.302 28.390 38.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 36.609 28.361 37.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 37.450 26.957 38.387 1.00 0.00 H new ATOM 692 N LYS A 41 35.684 21.883 33.668 1.00 0.00 N ATOM 693 CA LYS A 41 34.989 20.700 34.214 1.00 0.00 C ATOM 694 C LYS A 41 35.544 20.364 35.598 1.00 0.00 C ATOM 695 O LYS A 41 36.596 20.891 35.962 1.00 0.00 O ATOM 696 CB LYS A 41 35.014 19.507 33.231 1.00 0.00 C ATOM 697 CG LYS A 41 36.285 18.638 33.210 1.00 0.00 C ATOM 698 CD LYS A 41 37.579 19.353 32.807 1.00 0.00 C ATOM 699 CE LYS A 41 37.484 19.973 31.407 1.00 0.00 C ATOM 700 NZ LYS A 41 38.815 20.401 30.931 1.00 0.00 N ATOM 0 H LYS A 41 36.656 21.939 33.971 1.00 0.00 H new ATOM 0 HA LYS A 41 33.932 20.937 34.338 1.00 0.00 H new ATOM 0 HB2 LYS A 41 34.167 18.861 33.462 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.854 19.895 32.225 1.00 0.00 H new ATOM 0 HG2 LYS A 41 36.424 18.208 34.202 1.00 0.00 H new ATOM 0 HG3 LYS A 41 36.123 17.808 32.523 1.00 0.00 H new ATOM 0 HD2 LYS A 41 37.803 20.134 33.534 1.00 0.00 H new ATOM 0 HD3 LYS A 41 38.407 18.645 32.834 1.00 0.00 H new ATOM 0 HE2 LYS A 41 37.060 19.249 30.712 1.00 0.00 H new ATOM 0 HE3 LYS A 41 36.808 20.828 31.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 38.727 20.817 29.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 39.206 21.109 31.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 39.450 19.579 30.890 1.00 0.00 H new ATOM 714 N THR A 42 34.860 19.522 36.372 1.00 0.00 N ATOM 715 CA THR A 42 35.293 19.152 37.737 1.00 0.00 C ATOM 716 C THR A 42 35.349 17.638 37.955 1.00 0.00 C ATOM 717 O THR A 42 35.028 16.851 37.065 1.00 0.00 O ATOM 718 CB THR A 42 34.433 19.827 38.825 1.00 0.00 C ATOM 719 OG1 THR A 42 33.216 19.143 38.996 1.00 0.00 O ATOM 720 CG2 THR A 42 34.127 21.305 38.572 1.00 0.00 C ATOM 0 H THR A 42 33.992 19.073 36.080 1.00 0.00 H new ATOM 0 HA THR A 42 36.311 19.529 37.831 1.00 0.00 H new ATOM 0 HB THR A 42 35.044 19.777 39.726 1.00 0.00 H new ATOM 0 HG1 THR A 42 33.059 18.988 39.951 1.00 0.00 H new ATOM 0 HG21 THR A 42 33.518 21.695 39.388 1.00 0.00 H new ATOM 0 HG22 THR A 42 35.060 21.865 38.516 1.00 0.00 H new ATOM 0 HG23 THR A 42 33.584 21.409 37.632 1.00 0.00 H new ATOM 728 N VAL A 43 35.726 17.211 39.166 1.00 0.00 N ATOM 729 CA VAL A 43 35.697 15.799 39.604 1.00 0.00 C ATOM 730 C VAL A 43 34.272 15.197 39.574 1.00 0.00 C ATOM 731 O VAL A 43 34.119 13.977 39.570 1.00 0.00 O ATOM 732 CB VAL A 43 36.357 15.652 40.999 1.00 0.00 C ATOM 733 CG1 VAL A 43 36.500 14.191 41.451 1.00 0.00 C ATOM 734 CG2 VAL A 43 37.769 16.263 41.016 1.00 0.00 C ATOM 0 H VAL A 43 36.068 17.845 39.888 1.00 0.00 H new ATOM 0 HA VAL A 43 36.281 15.221 38.887 1.00 0.00 H new ATOM 0 HB VAL A 43 35.687 16.178 41.680 1.00 0.00 H new ATOM 0 HG11 VAL A 43 36.969 14.159 42.434 1.00 0.00 H new ATOM 0 HG12 VAL A 43 35.515 13.728 41.503 1.00 0.00 H new ATOM 0 HG13 VAL A 43 37.118 13.648 40.736 1.00 0.00 H new ATOM 0 HG21 VAL A 43 38.205 16.144 42.008 1.00 0.00 H new ATOM 0 HG22 VAL A 43 38.394 15.755 40.282 1.00 0.00 H new ATOM 0 HG23 VAL A 43 37.710 17.323 40.771 1.00 0.00 H new ATOM 744 N SER A 44 33.229 16.030 39.470 1.00 0.00 N ATOM 745 CA SER A 44 31.839 15.616 39.204 1.00 0.00 C ATOM 746 C SER A 44 31.613 15.091 37.768 1.00 0.00 C ATOM 747 O SER A 44 30.550 14.561 37.451 1.00 0.00 O ATOM 748 CB SER A 44 30.929 16.823 39.485 1.00 0.00 C ATOM 749 OG SER A 44 29.561 16.473 39.547 1.00 0.00 O ATOM 0 H SER A 44 33.328 17.040 39.571 1.00 0.00 H new ATOM 0 HA SER A 44 31.603 14.777 39.858 1.00 0.00 H new ATOM 0 HB2 SER A 44 31.225 17.284 40.427 1.00 0.00 H new ATOM 0 HB3 SER A 44 31.073 17.571 38.705 1.00 0.00 H new ATOM 0 HG SER A 44 29.386 15.728 38.935 1.00 0.00 H new ATOM 755 N GLY A 45 32.573 15.275 36.851 1.00 0.00 N ATOM 756 CA GLY A 45 32.443 14.948 35.419 1.00 0.00 C ATOM 757 C GLY A 45 31.618 15.962 34.611 1.00 0.00 C ATOM 758 O GLY A 45 31.774 16.064 33.393 1.00 0.00 O ATOM 0 H GLY A 45 33.485 15.665 37.088 1.00 0.00 H new ATOM 0 HA2 GLY A 45 33.439 14.878 34.982 1.00 0.00 H new ATOM 0 HA3 GLY A 45 31.983 13.964 35.323 1.00 0.00 H new ATOM 762 N ALA A 46 30.784 16.757 35.289 1.00 0.00 N ATOM 763 CA ALA A 46 30.072 17.895 34.719 1.00 0.00 C ATOM 764 C ALA A 46 31.040 18.963 34.178 1.00 0.00 C ATOM 765 O ALA A 46 32.025 19.318 34.832 1.00 0.00 O ATOM 766 CB ALA A 46 29.149 18.478 35.797 1.00 0.00 C ATOM 0 H ALA A 46 30.583 16.618 36.279 1.00 0.00 H new ATOM 0 HA ALA A 46 29.481 17.558 33.867 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.607 19.331 35.389 1.00 0.00 H new ATOM 0 HB2 ALA A 46 28.438 17.717 36.118 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.745 18.801 36.651 1.00 0.00 H new ATOM 772 N ALA A 47 30.721 19.491 32.993 1.00 0.00 N ATOM 773 CA ALA A 47 31.426 20.596 32.353 1.00 0.00 C ATOM 774 C ALA A 47 30.595 21.896 32.373 1.00 0.00 C ATOM 775 O ALA A 47 29.390 21.898 32.645 1.00 0.00 O ATOM 776 CB ALA A 47 31.879 20.151 30.958 1.00 0.00 C ATOM 0 H ALA A 47 29.938 19.147 32.437 1.00 0.00 H new ATOM 0 HA ALA A 47 32.322 20.850 32.919 1.00 0.00 H new ATOM 0 HB1 ALA A 47 32.408 20.969 30.469 1.00 0.00 H new ATOM 0 HB2 ALA A 47 32.544 19.292 31.048 1.00 0.00 H new ATOM 0 HB3 ALA A 47 31.008 19.875 30.363 1.00 0.00 H new ATOM 782 N PHE A 48 31.283 23.018 32.153 1.00 0.00 N ATOM 783 CA PHE A 48 30.811 24.370 32.438 1.00 0.00 C ATOM 784 C PHE A 48 31.391 25.366 31.429 1.00 0.00 C ATOM 785 O PHE A 48 32.611 25.423 31.262 1.00 0.00 O ATOM 786 CB PHE A 48 31.262 24.776 33.853 1.00 0.00 C ATOM 787 CG PHE A 48 30.711 23.944 34.995 1.00 0.00 C ATOM 788 CD1 PHE A 48 31.352 22.759 35.410 1.00 0.00 C ATOM 789 CD2 PHE A 48 29.569 24.384 35.679 1.00 0.00 C ATOM 790 CE1 PHE A 48 30.841 22.019 36.492 1.00 0.00 C ATOM 791 CE2 PHE A 48 29.068 23.660 36.774 1.00 0.00 C ATOM 792 CZ PHE A 48 29.707 22.478 37.184 1.00 0.00 C ATOM 0 H PHE A 48 32.222 23.007 31.755 1.00 0.00 H new ATOM 0 HA PHE A 48 29.723 24.383 32.367 1.00 0.00 H new ATOM 0 HB2 PHE A 48 32.350 24.733 33.891 1.00 0.00 H new ATOM 0 HB3 PHE A 48 30.978 25.815 34.018 1.00 0.00 H new ATOM 0 HD1 PHE A 48 32.238 22.418 34.896 1.00 0.00 H new ATOM 0 HD2 PHE A 48 29.070 25.288 35.361 1.00 0.00 H new ATOM 0 HE1 PHE A 48 31.320 21.098 36.791 1.00 0.00 H new ATOM 0 HE2 PHE A 48 28.193 24.012 37.300 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.328 21.923 38.029 1.00 0.00 H new ATOM 802 N ALA A 49 30.556 26.188 30.791 1.00 0.00 N ATOM 803 CA ALA A 49 31.034 27.315 29.981 1.00 0.00 C ATOM 804 C ALA A 49 31.127 28.602 30.810 1.00 0.00 C ATOM 805 O ALA A 49 30.224 28.896 31.596 1.00 0.00 O ATOM 806 CB ALA A 49 30.135 27.508 28.754 1.00 0.00 C ATOM 0 H ALA A 49 29.541 26.095 30.819 1.00 0.00 H new ATOM 0 HA ALA A 49 32.041 27.082 29.635 1.00 0.00 H new ATOM 0 HB1 ALA A 49 30.502 28.347 28.163 1.00 0.00 H new ATOM 0 HB2 ALA A 49 30.149 26.603 28.147 1.00 0.00 H new ATOM 0 HB3 ALA A 49 29.115 27.711 29.079 1.00 0.00 H new ATOM 812 N PHE A 50 32.171 29.400 30.565 1.00 0.00 N ATOM 813 CA PHE A 50 32.318 30.763 31.086 1.00 0.00 C ATOM 814 C PHE A 50 32.755 31.722 29.972 1.00 0.00 C ATOM 815 O PHE A 50 33.624 31.394 29.157 1.00 0.00 O ATOM 816 CB PHE A 50 33.325 30.798 32.242 1.00 0.00 C ATOM 817 CG PHE A 50 32.807 30.366 33.596 1.00 0.00 C ATOM 818 CD1 PHE A 50 32.049 31.272 34.363 1.00 0.00 C ATOM 819 CD2 PHE A 50 33.175 29.120 34.141 1.00 0.00 C ATOM 820 CE1 PHE A 50 31.710 30.961 35.690 1.00 0.00 C ATOM 821 CE2 PHE A 50 32.824 28.806 35.464 1.00 0.00 C ATOM 822 CZ PHE A 50 32.122 29.739 36.245 1.00 0.00 C ATOM 0 H PHE A 50 32.957 29.109 29.984 1.00 0.00 H new ATOM 0 HA PHE A 50 31.348 31.087 31.464 1.00 0.00 H new ATOM 0 HB2 PHE A 50 34.169 30.161 31.980 1.00 0.00 H new ATOM 0 HB3 PHE A 50 33.709 31.814 32.331 1.00 0.00 H new ATOM 0 HD1 PHE A 50 31.728 32.208 33.930 1.00 0.00 H new ATOM 0 HD2 PHE A 50 33.725 28.409 33.543 1.00 0.00 H new ATOM 0 HE1 PHE A 50 31.135 31.659 36.281 1.00 0.00 H new ATOM 0 HE2 PHE A 50 33.094 27.847 35.881 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.898 29.515 37.278 1.00 0.00 H new ATOM 832 N ILE A 51 32.178 32.929 29.959 1.00 0.00 N ATOM 833 CA ILE A 51 32.408 33.953 28.927 1.00 0.00 C ATOM 834 C ILE A 51 32.458 35.354 29.560 1.00 0.00 C ATOM 835 O ILE A 51 31.669 35.650 30.456 1.00 0.00 O ATOM 836 CB ILE A 51 31.333 33.890 27.809 1.00 0.00 C ATOM 837 CG1 ILE A 51 30.930 32.474 27.332 1.00 0.00 C ATOM 838 CG2 ILE A 51 31.850 34.671 26.586 1.00 0.00 C ATOM 839 CD1 ILE A 51 29.752 31.866 28.111 1.00 0.00 C ATOM 0 H ILE A 51 31.523 33.230 30.681 1.00 0.00 H new ATOM 0 HA ILE A 51 33.373 33.747 28.463 1.00 0.00 H new ATOM 0 HB ILE A 51 30.436 34.319 28.255 1.00 0.00 H new ATOM 0 HG12 ILE A 51 30.669 32.518 26.275 1.00 0.00 H new ATOM 0 HG13 ILE A 51 31.792 31.812 27.421 1.00 0.00 H new ATOM 0 HG21 ILE A 51 31.105 34.636 25.791 1.00 0.00 H new ATOM 0 HG22 ILE A 51 32.032 35.708 26.867 1.00 0.00 H new ATOM 0 HG23 ILE A 51 32.779 34.222 26.233 1.00 0.00 H new ATOM 0 HD11 ILE A 51 29.529 30.874 27.718 1.00 0.00 H new ATOM 0 HD12 ILE A 51 30.015 31.788 29.166 1.00 0.00 H new ATOM 0 HD13 ILE A 51 28.875 32.504 28.002 1.00 0.00 H new ATOM 851 N GLU A 52 33.353 36.221 29.095 1.00 0.00 N ATOM 852 CA GLU A 52 33.586 37.569 29.629 1.00 0.00 C ATOM 853 C GLU A 52 33.139 38.679 28.668 1.00 0.00 C ATOM 854 O GLU A 52 33.354 38.563 27.461 1.00 0.00 O ATOM 855 CB GLU A 52 35.064 37.677 30.030 1.00 0.00 C ATOM 856 CG GLU A 52 35.402 38.973 30.773 1.00 0.00 C ATOM 857 CD GLU A 52 36.728 38.849 31.533 1.00 0.00 C ATOM 858 OE1 GLU A 52 36.838 37.989 32.444 1.00 0.00 O ATOM 859 OE2 GLU A 52 37.654 39.637 31.258 1.00 0.00 O ATOM 0 H GLU A 52 33.961 36.000 28.306 1.00 0.00 H new ATOM 0 HA GLU A 52 32.965 37.720 30.512 1.00 0.00 H new ATOM 0 HB2 GLU A 52 35.324 36.827 30.661 1.00 0.00 H new ATOM 0 HB3 GLU A 52 35.681 37.609 29.134 1.00 0.00 H new ATOM 0 HG2 GLU A 52 35.463 39.797 30.062 1.00 0.00 H new ATOM 0 HG3 GLU A 52 34.601 39.214 31.472 1.00 0.00 H new ATOM 866 N PHE A 53 32.513 39.740 29.192 1.00 0.00 N ATOM 867 CA PHE A 53 31.821 40.780 28.417 1.00 0.00 C ATOM 868 C PHE A 53 32.005 42.178 29.020 1.00 0.00 C ATOM 869 O PHE A 53 31.823 42.362 30.222 1.00 0.00 O ATOM 870 CB PHE A 53 30.313 40.471 28.392 1.00 0.00 C ATOM 871 CG PHE A 53 29.861 39.516 27.307 1.00 0.00 C ATOM 872 CD1 PHE A 53 29.953 38.123 27.480 1.00 0.00 C ATOM 873 CD2 PHE A 53 29.310 40.039 26.123 1.00 0.00 C ATOM 874 CE1 PHE A 53 29.497 37.261 26.467 1.00 0.00 C ATOM 875 CE2 PHE A 53 28.851 39.174 25.118 1.00 0.00 C ATOM 876 CZ PHE A 53 28.938 37.787 25.293 1.00 0.00 C ATOM 0 H PHE A 53 32.472 39.904 30.198 1.00 0.00 H new ATOM 0 HA PHE A 53 32.252 40.776 27.416 1.00 0.00 H new ATOM 0 HB2 PHE A 53 30.029 40.056 29.359 1.00 0.00 H new ATOM 0 HB3 PHE A 53 29.770 41.409 28.276 1.00 0.00 H new ATOM 0 HD1 PHE A 53 30.373 37.717 28.388 1.00 0.00 H new ATOM 0 HD2 PHE A 53 29.240 41.108 25.987 1.00 0.00 H new ATOM 0 HE1 PHE A 53 29.577 36.191 26.593 1.00 0.00 H new ATOM 0 HE2 PHE A 53 28.430 39.578 24.209 1.00 0.00 H new ATOM 0 HZ PHE A 53 28.574 37.122 24.523 1.00 0.00 H new ATOM 886 N GLU A 54 32.242 43.190 28.176 1.00 0.00 N ATOM 887 CA GLU A 54 32.172 44.608 28.590 1.00 0.00 C ATOM 888 C GLU A 54 30.730 45.157 28.619 1.00 0.00 C ATOM 889 O GLU A 54 30.405 46.026 29.430 1.00 0.00 O ATOM 890 CB GLU A 54 33.072 45.480 27.685 1.00 0.00 C ATOM 891 CG GLU A 54 32.712 45.441 26.193 1.00 0.00 C ATOM 892 CD GLU A 54 33.488 46.482 25.379 1.00 0.00 C ATOM 893 OE1 GLU A 54 34.660 46.234 25.034 1.00 0.00 O ATOM 894 OE2 GLU A 54 32.901 47.529 25.014 1.00 0.00 O ATOM 0 H GLU A 54 32.486 43.057 27.195 1.00 0.00 H new ATOM 0 HA GLU A 54 32.541 44.655 29.615 1.00 0.00 H new ATOM 0 HB2 GLU A 54 33.020 46.512 28.030 1.00 0.00 H new ATOM 0 HB3 GLU A 54 34.106 45.156 27.804 1.00 0.00 H new ATOM 0 HG2 GLU A 54 32.919 44.446 25.798 1.00 0.00 H new ATOM 0 HG3 GLU A 54 31.642 45.615 26.075 1.00 0.00 H new ATOM 901 N ASP A 55 29.839 44.650 27.758 1.00 0.00 N ATOM 902 CA ASP A 55 28.480 45.173 27.557 1.00 0.00 C ATOM 903 C ASP A 55 27.387 44.245 28.119 1.00 0.00 C ATOM 904 O ASP A 55 26.604 43.639 27.379 1.00 0.00 O ATOM 905 CB ASP A 55 28.239 45.540 26.088 1.00 0.00 C ATOM 906 CG ASP A 55 29.124 46.646 25.514 1.00 0.00 C ATOM 907 OD1 ASP A 55 29.510 47.618 26.205 1.00 0.00 O ATOM 908 OD2 ASP A 55 29.375 46.623 24.288 1.00 0.00 O ATOM 0 H ASP A 55 30.047 43.845 27.167 1.00 0.00 H new ATOM 0 HA ASP A 55 28.406 46.091 28.140 1.00 0.00 H new ATOM 0 HB2 ASP A 55 28.377 44.643 25.484 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.198 45.842 25.977 1.00 0.00 H new ATOM 913 N ALA A 56 27.298 44.163 29.448 1.00 0.00 N ATOM 914 CA ALA A 56 26.281 43.396 30.166 1.00 0.00 C ATOM 915 C ALA A 56 24.848 43.765 29.728 1.00 0.00 C ATOM 916 O ALA A 56 24.067 42.905 29.322 1.00 0.00 O ATOM 917 CB ALA A 56 26.489 43.649 31.666 1.00 0.00 C ATOM 0 H ALA A 56 27.949 44.642 30.070 1.00 0.00 H new ATOM 0 HA ALA A 56 26.392 42.337 29.935 1.00 0.00 H new ATOM 0 HB1 ALA A 56 25.746 43.091 32.236 1.00 0.00 H new ATOM 0 HB2 ALA A 56 27.488 43.322 31.955 1.00 0.00 H new ATOM 0 HB3 ALA A 56 26.381 44.714 31.874 1.00 0.00 H new ATOM 923 N ARG A 57 24.525 45.067 29.725 1.00 0.00 N ATOM 924 CA ARG A 57 23.219 45.625 29.307 1.00 0.00 C ATOM 925 C ARG A 57 22.924 45.587 27.789 1.00 0.00 C ATOM 926 O ARG A 57 21.950 46.175 27.321 1.00 0.00 O ATOM 927 CB ARG A 57 23.010 47.017 29.943 1.00 0.00 C ATOM 928 CG ARG A 57 23.741 48.194 29.274 1.00 0.00 C ATOM 929 CD ARG A 57 25.274 48.161 29.339 1.00 0.00 C ATOM 930 NE ARG A 57 25.809 49.308 28.598 1.00 0.00 N ATOM 931 CZ ARG A 57 27.007 49.466 28.076 1.00 0.00 C ATOM 932 NH1 ARG A 57 28.003 48.671 28.325 1.00 0.00 N ATOM 933 NH2 ARG A 57 27.183 50.463 27.270 1.00 0.00 N ATOM 0 H ARG A 57 25.183 45.788 30.022 1.00 0.00 H new ATOM 0 HA ARG A 57 22.462 44.945 29.698 1.00 0.00 H new ATOM 0 HB2 ARG A 57 21.942 47.235 29.944 1.00 0.00 H new ATOM 0 HB3 ARG A 57 23.326 46.967 30.985 1.00 0.00 H new ATOM 0 HG2 ARG A 57 23.443 48.232 28.226 1.00 0.00 H new ATOM 0 HG3 ARG A 57 23.398 49.119 29.737 1.00 0.00 H new ATOM 0 HD2 ARG A 57 25.607 48.194 30.376 1.00 0.00 H new ATOM 0 HD3 ARG A 57 25.649 47.230 28.913 1.00 0.00 H new ATOM 0 HE ARG A 57 25.166 50.089 28.470 1.00 0.00 H new ATOM 0 HH11 ARG A 57 27.877 47.877 28.953 1.00 0.00 H new ATOM 0 HH12 ARG A 57 28.911 48.840 27.893 1.00 0.00 H new ATOM 0 HH21 ARG A 57 26.408 51.092 27.060 1.00 0.00 H new ATOM 0 HH22 ARG A 57 28.097 50.620 26.845 1.00 0.00 H new ATOM 947 N ASP A 58 23.773 44.909 27.021 1.00 0.00 N ATOM 948 CA ASP A 58 23.612 44.645 25.586 1.00 0.00 C ATOM 949 C ASP A 58 23.397 43.136 25.369 1.00 0.00 C ATOM 950 O ASP A 58 22.344 42.705 24.901 1.00 0.00 O ATOM 951 CB ASP A 58 24.851 45.231 24.881 1.00 0.00 C ATOM 952 CG ASP A 58 24.744 45.431 23.374 1.00 0.00 C ATOM 953 OD1 ASP A 58 24.032 44.657 22.704 1.00 0.00 O ATOM 954 OD2 ASP A 58 25.421 46.362 22.872 1.00 0.00 O ATOM 0 H ASP A 58 24.633 44.508 27.396 1.00 0.00 H new ATOM 0 HA ASP A 58 22.732 45.123 25.155 1.00 0.00 H new ATOM 0 HB2 ASP A 58 25.080 46.194 25.338 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.699 44.575 25.079 1.00 0.00 H new ATOM 959 N ALA A 59 24.317 42.312 25.892 1.00 0.00 N ATOM 960 CA ALA A 59 24.221 40.852 25.859 1.00 0.00 C ATOM 961 C ALA A 59 23.047 40.260 26.677 1.00 0.00 C ATOM 962 O ALA A 59 22.679 39.101 26.458 1.00 0.00 O ATOM 963 CB ALA A 59 25.569 40.297 26.338 1.00 0.00 C ATOM 0 H ALA A 59 25.160 42.650 26.356 1.00 0.00 H new ATOM 0 HA ALA A 59 24.000 40.551 24.835 1.00 0.00 H new ATOM 0 HB1 ALA A 59 25.538 39.207 26.328 1.00 0.00 H new ATOM 0 HB2 ALA A 59 26.362 40.644 25.675 1.00 0.00 H new ATOM 0 HB3 ALA A 59 25.766 40.645 27.352 1.00 0.00 H new ATOM 969 N ALA A 60 22.450 41.020 27.603 1.00 0.00 N ATOM 970 CA ALA A 60 21.365 40.561 28.475 1.00 0.00 C ATOM 971 C ALA A 60 20.148 39.995 27.717 1.00 0.00 C ATOM 972 O ALA A 60 19.695 38.899 28.047 1.00 0.00 O ATOM 973 CB ALA A 60 20.947 41.715 29.397 1.00 0.00 C ATOM 0 H ALA A 60 22.714 41.991 27.769 1.00 0.00 H new ATOM 0 HA ALA A 60 21.751 39.724 29.058 1.00 0.00 H new ATOM 0 HB1 ALA A 60 20.140 41.384 30.051 1.00 0.00 H new ATOM 0 HB2 ALA A 60 21.799 42.025 30.001 1.00 0.00 H new ATOM 0 HB3 ALA A 60 20.605 42.556 28.795 1.00 0.00 H new ATOM 979 N ASP A 61 19.646 40.676 26.678 1.00 0.00 N ATOM 980 CA ASP A 61 18.497 40.184 25.895 1.00 0.00 C ATOM 981 C ASP A 61 18.805 38.858 25.192 1.00 0.00 C ATOM 982 O ASP A 61 17.977 37.945 25.193 1.00 0.00 O ATOM 983 CB ASP A 61 18.038 41.214 24.852 1.00 0.00 C ATOM 984 CG ASP A 61 17.195 42.362 25.413 1.00 0.00 C ATOM 985 OD1 ASP A 61 16.885 42.395 26.623 1.00 0.00 O ATOM 986 OD2 ASP A 61 16.805 43.243 24.607 1.00 0.00 O ATOM 0 H ASP A 61 20.016 41.571 26.357 1.00 0.00 H new ATOM 0 HA ASP A 61 17.692 40.020 26.612 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.918 41.633 24.364 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.461 40.700 24.083 1.00 0.00 H new ATOM 991 N ALA A 62 20.017 38.726 24.649 1.00 0.00 N ATOM 992 CA ALA A 62 20.484 37.501 24.015 1.00 0.00 C ATOM 993 C ALA A 62 20.628 36.334 25.015 1.00 0.00 C ATOM 994 O ALA A 62 20.479 35.178 24.629 1.00 0.00 O ATOM 995 CB ALA A 62 21.791 37.816 23.287 1.00 0.00 C ATOM 0 H ALA A 62 20.706 39.478 24.639 1.00 0.00 H new ATOM 0 HA ALA A 62 19.741 37.156 23.296 1.00 0.00 H new ATOM 0 HB1 ALA A 62 22.164 36.914 22.802 1.00 0.00 H new ATOM 0 HB2 ALA A 62 21.613 38.585 22.535 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.530 38.174 24.004 1.00 0.00 H new ATOM 1001 N ILE A 63 20.863 36.624 26.301 1.00 0.00 N ATOM 1002 CA ILE A 63 20.787 35.638 27.391 1.00 0.00 C ATOM 1003 C ILE A 63 19.339 35.285 27.753 1.00 0.00 C ATOM 1004 O ILE A 63 19.032 34.098 27.865 1.00 0.00 O ATOM 1005 CB ILE A 63 21.626 36.115 28.607 1.00 0.00 C ATOM 1006 CG1 ILE A 63 23.075 35.593 28.477 1.00 0.00 C ATOM 1007 CG2 ILE A 63 21.054 35.751 29.991 1.00 0.00 C ATOM 1008 CD1 ILE A 63 23.252 34.084 28.731 1.00 0.00 C ATOM 0 H ILE A 63 21.114 37.560 26.619 1.00 0.00 H new ATOM 0 HA ILE A 63 21.227 34.704 27.042 1.00 0.00 H new ATOM 0 HB ILE A 63 21.594 37.204 28.569 1.00 0.00 H new ATOM 0 HG12 ILE A 63 23.439 35.822 27.475 1.00 0.00 H new ATOM 0 HG13 ILE A 63 23.706 36.140 29.178 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.716 36.130 30.769 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.066 36.197 30.105 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.975 34.667 30.078 1.00 0.00 H new ATOM 0 HD11 ILE A 63 24.302 33.816 28.616 1.00 0.00 H new ATOM 0 HD12 ILE A 63 22.925 33.845 29.743 1.00 0.00 H new ATOM 0 HD13 ILE A 63 22.654 33.522 28.014 1.00 0.00 H new ATOM 1020 N LYS A 64 18.428 36.254 27.923 1.00 0.00 N ATOM 1021 CA LYS A 64 17.049 35.942 28.360 1.00 0.00 C ATOM 1022 C LYS A 64 16.117 35.399 27.268 1.00 0.00 C ATOM 1023 O LYS A 64 15.052 34.887 27.594 1.00 0.00 O ATOM 1024 CB LYS A 64 16.457 37.026 29.279 1.00 0.00 C ATOM 1025 CG LYS A 64 16.266 38.445 28.730 1.00 0.00 C ATOM 1026 CD LYS A 64 15.264 38.545 27.572 1.00 0.00 C ATOM 1027 CE LYS A 64 14.737 39.975 27.379 1.00 0.00 C ATOM 1028 NZ LYS A 64 13.945 40.430 28.547 1.00 0.00 N ATOM 0 H LYS A 64 18.611 37.246 27.769 1.00 0.00 H new ATOM 0 HA LYS A 64 17.143 35.065 29.000 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.484 36.672 29.621 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.097 37.097 30.158 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.933 39.094 29.540 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.231 38.825 28.394 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.741 38.209 26.652 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.426 37.874 27.760 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.575 40.654 27.221 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.119 40.017 26.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.324 41.214 28.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.366 39.642 28.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.588 40.753 29.298 1.00 0.00 H new ATOM 1042 N GLU A 65 16.538 35.363 26.000 1.00 0.00 N ATOM 1043 CA GLU A 65 15.944 34.461 24.991 1.00 0.00 C ATOM 1044 C GLU A 65 16.349 32.974 25.170 1.00 0.00 C ATOM 1045 O GLU A 65 15.856 32.121 24.434 1.00 0.00 O ATOM 1046 CB GLU A 65 16.212 34.969 23.555 1.00 0.00 C ATOM 1047 CG GLU A 65 17.691 34.925 23.156 1.00 0.00 C ATOM 1048 CD GLU A 65 17.929 35.100 21.651 1.00 0.00 C ATOM 1049 OE1 GLU A 65 17.553 36.142 21.060 1.00 0.00 O ATOM 1050 OE2 GLU A 65 18.510 34.189 21.008 1.00 0.00 O ATOM 0 H GLU A 65 17.291 35.949 25.640 1.00 0.00 H new ATOM 0 HA GLU A 65 14.867 34.486 25.159 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.636 34.367 22.852 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.851 35.994 23.467 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.226 35.708 23.693 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.116 33.973 23.474 1.00 0.00 H new ATOM 1057 N LYS A 66 17.231 32.654 26.136 1.00 0.00 N ATOM 1058 CA LYS A 66 17.709 31.300 26.501 1.00 0.00 C ATOM 1059 C LYS A 66 17.436 30.936 27.974 1.00 0.00 C ATOM 1060 O LYS A 66 18.082 30.036 28.515 1.00 0.00 O ATOM 1061 CB LYS A 66 19.222 31.153 26.203 1.00 0.00 C ATOM 1062 CG LYS A 66 19.707 31.618 24.826 1.00 0.00 C ATOM 1063 CD LYS A 66 19.133 30.802 23.662 1.00 0.00 C ATOM 1064 CE LYS A 66 19.532 31.499 22.362 1.00 0.00 C ATOM 1065 NZ LYS A 66 19.071 30.763 21.163 1.00 0.00 N ATOM 0 H LYS A 66 17.656 33.374 26.719 1.00 0.00 H new ATOM 0 HA LYS A 66 17.140 30.604 25.884 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.773 31.709 26.962 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.490 30.103 26.320 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.438 32.666 24.691 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.795 31.562 24.796 1.00 0.00 H new ATOM 0 HD2 LYS A 66 19.519 29.783 23.683 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.048 30.734 23.742 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.115 32.506 22.350 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.616 31.603 22.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.366 31.275 20.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.489 29.811 21.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.034 30.686 21.181 1.00 0.00 H new ATOM 1079 N ASP A 67 16.541 31.655 28.656 1.00 0.00 N ATOM 1080 CA ASP A 67 16.246 31.422 30.075 1.00 0.00 C ATOM 1081 C ASP A 67 15.396 30.152 30.317 1.00 0.00 C ATOM 1082 O ASP A 67 15.007 29.437 29.384 1.00 0.00 O ATOM 1083 CB ASP A 67 15.644 32.685 30.725 1.00 0.00 C ATOM 1084 CG ASP A 67 14.211 33.052 30.322 1.00 0.00 C ATOM 1085 OD1 ASP A 67 13.586 32.365 29.484 1.00 0.00 O ATOM 1086 OD2 ASP A 67 13.672 34.025 30.891 1.00 0.00 O ATOM 0 H ASP A 67 16.000 32.414 28.242 1.00 0.00 H new ATOM 0 HA ASP A 67 17.194 31.221 30.574 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.670 32.556 31.807 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.291 33.530 30.489 1.00 0.00 H new ATOM 1091 N GLY A 68 15.109 29.857 31.588 1.00 0.00 N ATOM 1092 CA GLY A 68 14.380 28.657 32.013 1.00 0.00 C ATOM 1093 C GLY A 68 15.319 27.468 32.206 1.00 0.00 C ATOM 1094 O GLY A 68 15.501 26.643 31.311 1.00 0.00 O ATOM 0 H GLY A 68 15.382 30.457 32.366 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.854 28.861 32.946 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.624 28.407 31.269 1.00 0.00 H new ATOM 1098 N CYS A 69 15.943 27.389 33.382 1.00 0.00 N ATOM 1099 CA CYS A 69 16.846 26.295 33.738 1.00 0.00 C ATOM 1100 C CYS A 69 16.117 24.940 33.895 1.00 0.00 C ATOM 1101 O CYS A 69 14.887 24.849 33.956 1.00 0.00 O ATOM 1102 CB CYS A 69 17.655 26.707 34.980 1.00 0.00 C ATOM 1103 SG CYS A 69 16.560 27.165 36.353 1.00 0.00 S ATOM 0 H CYS A 69 15.835 28.087 34.118 1.00 0.00 H new ATOM 0 HA CYS A 69 17.541 26.122 32.916 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.302 25.884 35.286 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.304 27.547 34.733 1.00 0.00 H new ATOM 0 HG CYS A 69 17.275 27.504 37.384 1.00 0.00 H new ATOM 1109 N ASP A 70 16.917 23.877 33.937 1.00 0.00 N ATOM 1110 CA ASP A 70 16.508 22.477 33.877 1.00 0.00 C ATOM 1111 C ASP A 70 17.269 21.637 34.910 1.00 0.00 C ATOM 1112 O ASP A 70 18.489 21.763 35.048 1.00 0.00 O ATOM 1113 CB ASP A 70 16.772 21.958 32.459 1.00 0.00 C ATOM 1114 CG ASP A 70 15.617 22.257 31.507 1.00 0.00 C ATOM 1115 OD1 ASP A 70 14.574 21.568 31.579 1.00 0.00 O ATOM 1116 OD2 ASP A 70 15.743 23.170 30.662 1.00 0.00 O ATOM 0 H ASP A 70 17.929 23.977 34.019 1.00 0.00 H new ATOM 0 HA ASP A 70 15.447 22.396 34.112 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.685 22.412 32.073 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.941 20.882 32.494 1.00 0.00 H new ATOM 1121 N PHE A 71 16.542 20.785 35.636 1.00 0.00 N ATOM 1122 CA PHE A 71 17.015 20.093 36.842 1.00 0.00 C ATOM 1123 C PHE A 71 16.211 18.807 37.122 1.00 0.00 C ATOM 1124 O PHE A 71 15.110 18.617 36.605 1.00 0.00 O ATOM 1125 CB PHE A 71 16.966 21.071 38.038 1.00 0.00 C ATOM 1126 CG PHE A 71 15.739 21.972 38.083 1.00 0.00 C ATOM 1127 CD1 PHE A 71 14.547 21.537 38.691 1.00 0.00 C ATOM 1128 CD2 PHE A 71 15.774 23.229 37.449 1.00 0.00 C ATOM 1129 CE1 PHE A 71 13.398 22.345 38.654 1.00 0.00 C ATOM 1130 CE2 PHE A 71 14.615 24.022 37.384 1.00 0.00 C ATOM 1131 CZ PHE A 71 13.427 23.580 37.986 1.00 0.00 C ATOM 0 H PHE A 71 15.579 20.549 35.396 1.00 0.00 H new ATOM 0 HA PHE A 71 18.046 19.775 36.684 1.00 0.00 H new ATOM 0 HB2 PHE A 71 17.008 20.494 38.962 1.00 0.00 H new ATOM 0 HB3 PHE A 71 17.858 21.698 38.012 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.515 20.579 39.188 1.00 0.00 H new ATOM 0 HD2 PHE A 71 16.695 23.585 37.011 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.491 22.016 39.140 1.00 0.00 H new ATOM 0 HE2 PHE A 71 14.639 24.972 36.871 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.536 24.189 37.936 1.00 0.00 H new ATOM 1141 N GLU A 72 16.778 17.923 37.956 1.00 0.00 N ATOM 1142 CA GLU A 72 16.229 16.639 38.457 1.00 0.00 C ATOM 1143 C GLU A 72 15.905 15.536 37.426 1.00 0.00 C ATOM 1144 O GLU A 72 15.787 14.369 37.807 1.00 0.00 O ATOM 1145 CB GLU A 72 15.033 16.878 39.396 1.00 0.00 C ATOM 1146 CG GLU A 72 15.395 17.822 40.548 1.00 0.00 C ATOM 1147 CD GLU A 72 14.445 17.703 41.744 1.00 0.00 C ATOM 1148 OE1 GLU A 72 13.236 17.443 41.549 1.00 0.00 O ATOM 1149 OE2 GLU A 72 14.955 17.857 42.877 1.00 0.00 O ATOM 0 H GLU A 72 17.710 18.095 38.333 1.00 0.00 H new ATOM 0 HA GLU A 72 17.076 16.218 39.000 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.203 17.299 38.828 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.692 15.925 39.800 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.412 17.610 40.877 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.385 18.850 40.185 1.00 0.00 H new ATOM 1156 N GLY A 73 15.835 15.863 36.134 1.00 0.00 N ATOM 1157 CA GLY A 73 15.673 14.913 35.031 1.00 0.00 C ATOM 1158 C GLY A 73 16.371 15.418 33.769 1.00 0.00 C ATOM 1159 O GLY A 73 17.332 14.809 33.291 1.00 0.00 O ATOM 0 H GLY A 73 15.892 16.830 35.816 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.085 13.945 35.316 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.613 14.762 34.829 1.00 0.00 H new ATOM 1163 N ASN A 74 15.963 16.597 33.297 1.00 0.00 N ATOM 1164 CA ASN A 74 16.794 17.444 32.436 1.00 0.00 C ATOM 1165 C ASN A 74 17.937 18.079 33.262 1.00 0.00 C ATOM 1166 O ASN A 74 17.860 18.124 34.494 1.00 0.00 O ATOM 1167 CB ASN A 74 15.925 18.541 31.794 1.00 0.00 C ATOM 1168 CG ASN A 74 14.778 18.072 30.922 1.00 0.00 C ATOM 1169 OD1 ASN A 74 14.654 16.914 30.563 1.00 0.00 O ATOM 1170 ND2 ASN A 74 13.911 18.986 30.557 1.00 0.00 N ATOM 0 H ASN A 74 15.045 16.993 33.501 1.00 0.00 H new ATOM 0 HA ASN A 74 17.233 16.833 31.647 1.00 0.00 H new ATOM 0 HB2 ASN A 74 15.516 19.162 32.591 1.00 0.00 H new ATOM 0 HB3 ASN A 74 16.572 19.180 31.192 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.120 18.731 29.965 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.027 19.951 30.865 1.00 0.00 H new ATOM 1177 N LYS A 75 18.985 18.593 32.600 1.00 0.00 N ATOM 1178 CA LYS A 75 20.051 19.402 33.228 1.00 0.00 C ATOM 1179 C LYS A 75 20.509 20.531 32.304 1.00 0.00 C ATOM 1180 O LYS A 75 20.995 20.250 31.211 1.00 0.00 O ATOM 1181 CB LYS A 75 21.271 18.547 33.632 1.00 0.00 C ATOM 1182 CG LYS A 75 21.071 17.749 34.926 1.00 0.00 C ATOM 1183 CD LYS A 75 20.496 16.341 34.696 1.00 0.00 C ATOM 1184 CE LYS A 75 19.763 15.874 35.954 1.00 0.00 C ATOM 1185 NZ LYS A 75 20.705 15.673 37.076 1.00 0.00 N ATOM 0 H LYS A 75 19.121 18.458 31.598 1.00 0.00 H new ATOM 0 HA LYS A 75 19.617 19.829 34.132 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.501 17.855 32.822 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.136 19.199 33.749 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.027 17.662 35.442 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.402 18.303 35.585 1.00 0.00 H new ATOM 0 HD2 LYS A 75 19.812 16.351 33.847 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.298 15.645 34.451 1.00 0.00 H new ATOM 0 HE2 LYS A 75 19.010 16.611 36.235 1.00 0.00 H new ATOM 0 HE3 LYS A 75 19.236 14.943 35.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 20.198 15.260 37.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 21.466 15.029 36.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 21.114 16.588 37.354 1.00 0.00 H new ATOM 1199 N LEU A 76 20.387 21.775 32.766 1.00 0.00 N ATOM 1200 CA LEU A 76 21.043 22.975 32.220 1.00 0.00 C ATOM 1201 C LEU A 76 20.812 24.156 33.177 1.00 0.00 C ATOM 1202 O LEU A 76 19.664 24.510 33.448 1.00 0.00 O ATOM 1203 CB LEU A 76 20.469 23.324 30.821 1.00 0.00 C ATOM 1204 CG LEU A 76 21.458 23.105 29.659 1.00 0.00 C ATOM 1205 CD1 LEU A 76 20.730 23.287 28.326 1.00 0.00 C ATOM 1206 CD2 LEU A 76 22.614 24.109 29.703 1.00 0.00 C ATOM 0 H LEU A 76 19.800 21.990 33.572 1.00 0.00 H new ATOM 0 HA LEU A 76 22.110 22.778 32.119 1.00 0.00 H new ATOM 0 HB2 LEU A 76 19.579 22.719 30.645 1.00 0.00 H new ATOM 0 HB3 LEU A 76 20.151 24.367 30.821 1.00 0.00 H new ATOM 0 HG LEU A 76 21.858 22.096 29.757 1.00 0.00 H new ATOM 0 HD11 LEU A 76 21.430 23.132 27.505 1.00 0.00 H new ATOM 0 HD12 LEU A 76 19.919 22.563 28.253 1.00 0.00 H new ATOM 0 HD13 LEU A 76 20.322 24.296 28.269 1.00 0.00 H new ATOM 0 HD21 LEU A 76 23.290 23.923 28.868 1.00 0.00 H new ATOM 0 HD22 LEU A 76 22.219 25.122 29.631 1.00 0.00 H new ATOM 0 HD23 LEU A 76 23.157 23.997 30.641 1.00 0.00 H new ATOM 1218 N ARG A 77 21.877 24.819 33.642 1.00 0.00 N ATOM 1219 CA ARG A 77 21.770 26.054 34.450 1.00 0.00 C ATOM 1220 C ARG A 77 22.518 27.211 33.785 1.00 0.00 C ATOM 1221 O ARG A 77 23.628 27.552 34.184 1.00 0.00 O ATOM 1222 CB ARG A 77 22.163 25.785 35.921 1.00 0.00 C ATOM 1223 CG ARG A 77 21.895 27.007 36.825 1.00 0.00 C ATOM 1224 CD ARG A 77 22.160 26.736 38.313 1.00 0.00 C ATOM 1225 NE ARG A 77 21.010 26.108 38.990 1.00 0.00 N ATOM 1226 CZ ARG A 77 21.003 25.048 39.779 1.00 0.00 C ATOM 1227 NH1 ARG A 77 22.052 24.335 40.071 1.00 0.00 N ATOM 1228 NH2 ARG A 77 19.892 24.682 40.334 1.00 0.00 N ATOM 0 H ARG A 77 22.838 24.521 33.473 1.00 0.00 H new ATOM 0 HA ARG A 77 20.729 26.376 34.487 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.603 24.928 36.295 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.220 25.522 35.971 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.522 27.836 36.497 1.00 0.00 H new ATOM 0 HG3 ARG A 77 20.859 27.322 36.700 1.00 0.00 H new ATOM 0 HD2 ARG A 77 23.032 26.089 38.411 1.00 0.00 H new ATOM 0 HD3 ARG A 77 22.402 27.675 38.812 1.00 0.00 H new ATOM 0 HE ARG A 77 20.104 26.548 38.829 1.00 0.00 H new ATOM 0 HH11 ARG A 77 22.961 24.582 39.681 1.00 0.00 H new ATOM 0 HH12 ARG A 77 21.965 23.529 40.690 1.00 0.00 H new ATOM 0 HH21 ARG A 77 19.037 25.210 40.160 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.872 23.866 40.945 1.00 0.00 H new ATOM 1242 N VAL A 78 21.901 27.808 32.766 1.00 0.00 N ATOM 1243 CA VAL A 78 22.292 29.129 32.240 1.00 0.00 C ATOM 1244 C VAL A 78 22.048 30.170 33.337 1.00 0.00 C ATOM 1245 O VAL A 78 20.933 30.250 33.856 1.00 0.00 O ATOM 1246 CB VAL A 78 21.482 29.495 30.977 1.00 0.00 C ATOM 1247 CG1 VAL A 78 21.858 30.878 30.427 1.00 0.00 C ATOM 1248 CG2 VAL A 78 21.672 28.471 29.851 1.00 0.00 C ATOM 0 H VAL A 78 21.110 27.392 32.275 1.00 0.00 H new ATOM 0 HA VAL A 78 23.344 29.106 31.957 1.00 0.00 H new ATOM 0 HB VAL A 78 20.440 29.499 31.297 1.00 0.00 H new ATOM 0 HG11 VAL A 78 21.262 31.091 29.539 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.663 31.636 31.185 1.00 0.00 H new ATOM 0 HG13 VAL A 78 22.916 30.890 30.165 1.00 0.00 H new ATOM 0 HG21 VAL A 78 21.083 28.770 28.984 1.00 0.00 H new ATOM 0 HG22 VAL A 78 22.726 28.424 29.576 1.00 0.00 H new ATOM 0 HG23 VAL A 78 21.342 27.490 30.192 1.00 0.00 H new ATOM 1258 N GLU A 79 23.062 30.950 33.700 1.00 0.00 N ATOM 1259 CA GLU A 79 23.007 31.939 34.788 1.00 0.00 C ATOM 1260 C GLU A 79 24.044 33.054 34.533 1.00 0.00 C ATOM 1261 O GLU A 79 25.037 32.859 33.829 1.00 0.00 O ATOM 1262 CB GLU A 79 23.124 31.202 36.143 1.00 0.00 C ATOM 1263 CG GLU A 79 23.862 31.903 37.294 1.00 0.00 C ATOM 1264 CD GLU A 79 23.101 33.071 37.936 1.00 0.00 C ATOM 1265 OE1 GLU A 79 22.163 33.621 37.303 1.00 0.00 O ATOM 1266 OE2 GLU A 79 23.482 33.441 39.070 1.00 0.00 O ATOM 0 H GLU A 79 23.971 30.916 33.238 1.00 0.00 H new ATOM 0 HA GLU A 79 22.050 32.459 34.823 1.00 0.00 H new ATOM 0 HB2 GLU A 79 22.115 30.974 36.486 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.621 30.249 35.961 1.00 0.00 H new ATOM 0 HG2 GLU A 79 24.084 31.166 38.066 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.817 32.272 36.922 1.00 0.00 H new ATOM 1273 N VAL A 80 23.782 34.261 35.037 1.00 0.00 N ATOM 1274 CA VAL A 80 24.375 35.499 34.510 1.00 0.00 C ATOM 1275 C VAL A 80 25.009 36.368 35.614 1.00 0.00 C ATOM 1276 O VAL A 80 24.384 37.311 36.114 1.00 0.00 O ATOM 1277 CB VAL A 80 23.364 36.200 33.578 1.00 0.00 C ATOM 1278 CG1 VAL A 80 22.014 36.561 34.214 1.00 0.00 C ATOM 1279 CG2 VAL A 80 23.968 37.442 32.925 1.00 0.00 C ATOM 0 H VAL A 80 23.151 34.412 35.824 1.00 0.00 H new ATOM 0 HA VAL A 80 25.236 35.265 33.884 1.00 0.00 H new ATOM 0 HB VAL A 80 23.146 35.443 32.825 1.00 0.00 H new ATOM 0 HG11 VAL A 80 21.381 37.048 33.472 1.00 0.00 H new ATOM 0 HG12 VAL A 80 21.525 35.654 34.569 1.00 0.00 H new ATOM 0 HG13 VAL A 80 22.176 37.238 35.053 1.00 0.00 H new ATOM 0 HG21 VAL A 80 23.227 37.909 32.276 1.00 0.00 H new ATOM 0 HG22 VAL A 80 24.270 38.149 33.698 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.838 37.156 32.335 1.00 0.00 H new ATOM 1289 N PRO A 81 26.272 36.089 36.007 1.00 0.00 N ATOM 1290 CA PRO A 81 27.063 36.921 36.922 1.00 0.00 C ATOM 1291 C PRO A 81 27.523 38.260 36.291 1.00 0.00 C ATOM 1292 O PRO A 81 28.710 38.582 36.208 1.00 0.00 O ATOM 1293 CB PRO A 81 28.194 36.011 37.422 1.00 0.00 C ATOM 1294 CG PRO A 81 28.410 35.027 36.273 1.00 0.00 C ATOM 1295 CD PRO A 81 27.015 34.879 35.667 1.00 0.00 C ATOM 0 HA PRO A 81 26.471 37.275 37.766 1.00 0.00 H new ATOM 0 HB2 PRO A 81 29.099 36.580 37.636 1.00 0.00 H new ATOM 0 HB3 PRO A 81 27.916 35.496 38.342 1.00 0.00 H new ATOM 0 HG2 PRO A 81 29.126 35.410 35.545 1.00 0.00 H new ATOM 0 HG3 PRO A 81 28.797 34.072 36.629 1.00 0.00 H new ATOM 0 HD2 PRO A 81 27.075 34.754 34.586 1.00 0.00 H new ATOM 0 HD3 PRO A 81 26.514 33.995 36.062 1.00 0.00 H new ATOM 1303 N PHE A 82 26.553 39.076 35.872 1.00 0.00 N ATOM 1304 CA PHE A 82 26.712 40.507 35.581 1.00 0.00 C ATOM 1305 C PHE A 82 26.583 41.391 36.835 1.00 0.00 C ATOM 1306 O PHE A 82 26.913 42.570 36.761 1.00 0.00 O ATOM 1307 CB PHE A 82 25.663 40.932 34.533 1.00 0.00 C ATOM 1308 CG PHE A 82 25.796 40.394 33.114 1.00 0.00 C ATOM 1309 CD1 PHE A 82 26.963 39.745 32.663 1.00 0.00 C ATOM 1310 CD2 PHE A 82 24.740 40.607 32.204 1.00 0.00 C ATOM 1311 CE1 PHE A 82 27.088 39.350 31.320 1.00 0.00 C ATOM 1312 CE2 PHE A 82 24.851 40.184 30.867 1.00 0.00 C ATOM 1313 CZ PHE A 82 26.030 39.565 30.422 1.00 0.00 C ATOM 0 H PHE A 82 25.599 38.748 35.720 1.00 0.00 H new ATOM 0 HA PHE A 82 27.721 40.651 35.195 1.00 0.00 H new ATOM 0 HB2 PHE A 82 24.682 40.640 34.908 1.00 0.00 H new ATOM 0 HB3 PHE A 82 25.672 42.021 34.477 1.00 0.00 H new ATOM 0 HD1 PHE A 82 27.768 39.549 33.356 1.00 0.00 H new ATOM 0 HD2 PHE A 82 23.838 41.099 32.536 1.00 0.00 H new ATOM 0 HE1 PHE A 82 27.999 38.881 30.978 1.00 0.00 H new ATOM 0 HE2 PHE A 82 24.029 40.335 30.183 1.00 0.00 H new ATOM 0 HZ PHE A 82 26.123 39.255 29.392 1.00 0.00 H new ATOM 1323 N ASN A 83 26.095 40.853 37.964 1.00 0.00 N ATOM 1324 CA ASN A 83 25.836 41.578 39.224 1.00 0.00 C ATOM 1325 C ASN A 83 24.833 42.759 39.093 1.00 0.00 C ATOM 1326 O ASN A 83 24.812 43.666 39.930 1.00 0.00 O ATOM 1327 CB ASN A 83 27.176 41.987 39.878 1.00 0.00 C ATOM 1328 CG ASN A 83 28.181 40.869 40.102 1.00 0.00 C ATOM 1329 OD1 ASN A 83 29.372 41.021 39.889 1.00 0.00 O ATOM 1330 ND2 ASN A 83 27.772 39.710 40.563 1.00 0.00 N ATOM 0 H ASN A 83 25.860 39.863 38.030 1.00 0.00 H new ATOM 0 HA ASN A 83 25.321 40.887 39.891 1.00 0.00 H new ATOM 0 HB2 ASN A 83 27.644 42.748 39.254 1.00 0.00 H new ATOM 0 HB3 ASN A 83 26.960 42.452 40.840 1.00 0.00 H new ATOM 0 HD21 ASN A 83 28.445 38.963 40.734 1.00 0.00 H new ATOM 0 HD22 ASN A 83 26.781 39.556 40.750 1.00 0.00 H new ATOM 1337 N ALA A 84 24.029 42.750 38.018 1.00 0.00 N ATOM 1338 CA ALA A 84 23.256 43.885 37.502 1.00 0.00 C ATOM 1339 C ALA A 84 24.093 45.174 37.272 1.00 0.00 C ATOM 1340 O ALA A 84 25.231 45.314 37.733 1.00 0.00 O ATOM 1341 CB ALA A 84 21.992 44.074 38.358 1.00 0.00 C ATOM 0 H ALA A 84 23.896 41.907 37.459 1.00 0.00 H new ATOM 0 HA ALA A 84 22.931 43.647 36.489 1.00 0.00 H new ATOM 0 HB1 ALA A 84 21.416 44.917 37.976 1.00 0.00 H new ATOM 0 HB2 ALA A 84 21.384 43.170 38.314 1.00 0.00 H new ATOM 0 HB3 ALA A 84 22.278 44.269 39.392 1.00 0.00 H new ATOM 1347 N ARG A 85 23.551 46.132 36.508 1.00 0.00 N ATOM 1348 CA ARG A 85 24.291 47.326 36.070 1.00 0.00 C ATOM 1349 C ARG A 85 23.389 48.564 36.079 1.00 0.00 C ATOM 1350 O ARG A 85 22.491 48.665 35.245 1.00 0.00 O ATOM 1351 CB ARG A 85 24.930 47.035 34.686 1.00 0.00 C ATOM 1352 CG ARG A 85 26.297 47.696 34.438 1.00 0.00 C ATOM 1353 CD ARG A 85 26.263 49.217 34.601 1.00 0.00 C ATOM 1354 NE ARG A 85 27.545 49.852 34.240 1.00 0.00 N ATOM 1355 CZ ARG A 85 28.098 50.906 34.815 1.00 0.00 C ATOM 1356 NH1 ARG A 85 27.589 51.477 35.866 1.00 0.00 N ATOM 1357 NH2 ARG A 85 29.202 51.408 34.350 1.00 0.00 N ATOM 0 H ARG A 85 22.587 46.102 36.176 1.00 0.00 H new ATOM 0 HA ARG A 85 25.097 47.552 36.768 1.00 0.00 H new ATOM 0 HB2 ARG A 85 25.042 45.956 34.576 1.00 0.00 H new ATOM 0 HB3 ARG A 85 24.240 47.365 33.910 1.00 0.00 H new ATOM 0 HG2 ARG A 85 27.028 47.278 35.130 1.00 0.00 H new ATOM 0 HG3 ARG A 85 26.636 47.451 33.431 1.00 0.00 H new ATOM 0 HD2 ARG A 85 25.469 49.628 33.978 1.00 0.00 H new ATOM 0 HD3 ARG A 85 26.017 49.463 35.634 1.00 0.00 H new ATOM 0 HE ARG A 85 28.059 49.433 33.465 1.00 0.00 H new ATOM 0 HH11 ARG A 85 26.730 51.113 36.278 1.00 0.00 H new ATOM 0 HH12 ARG A 85 28.049 52.289 36.278 1.00 0.00 H new ATOM 0 HH21 ARG A 85 29.649 50.989 33.535 1.00 0.00 H new ATOM 0 HH22 ARG A 85 29.622 52.221 34.800 1.00 0.00 H new ATOM 1371 N GLU A 86 23.679 49.492 36.999 1.00 0.00 N ATOM 1372 CA GLU A 86 22.907 50.721 37.299 1.00 0.00 C ATOM 1373 C GLU A 86 21.475 50.487 37.805 1.00 0.00 C ATOM 1374 O GLU A 86 20.775 51.506 38.008 1.00 0.00 O ATOM 1375 CB GLU A 86 22.894 51.695 36.103 1.00 0.00 C ATOM 1376 CG GLU A 86 24.236 52.110 35.487 1.00 0.00 C ATOM 1377 CD GLU A 86 24.101 52.504 33.998 1.00 0.00 C ATOM 1378 OE1 GLU A 86 23.116 53.184 33.603 1.00 0.00 O ATOM 1379 OE2 GLU A 86 24.978 52.118 33.193 1.00 0.00 O ATOM 1380 OXT GLU A 86 21.008 49.331 37.885 1.00 0.00 O ATOM 0 H GLU A 86 24.504 49.408 37.592 1.00 0.00 H new ATOM 0 HA GLU A 86 23.446 51.171 38.133 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.292 51.244 35.314 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.379 52.602 36.419 1.00 0.00 H new ATOM 0 HG2 GLU A 86 24.646 52.950 36.047 1.00 0.00 H new ATOM 0 HG3 GLU A 86 24.946 51.288 35.580 1.00 0.00 H new TER 1387 GLU A 86 ATOM 1388 O5' A B 101 24.280 22.437 41.048 1.00 0.00 O ATOM 1389 C5' A B 101 24.975 22.462 39.809 1.00 0.00 C ATOM 1390 C4' A B 101 25.857 23.710 39.626 1.00 0.00 C ATOM 1391 O4' A B 101 25.096 24.915 39.475 1.00 0.00 O ATOM 1392 C3' A B 101 26.867 23.935 40.776 1.00 0.00 C ATOM 1393 O3' A B 101 28.128 24.157 40.139 1.00 0.00 O ATOM 1394 C2' A B 101 26.252 25.171 41.459 1.00 0.00 C ATOM 1395 O2' A B 101 27.119 25.967 42.249 1.00 0.00 O ATOM 1396 C1' A B 101 25.798 25.908 40.215 1.00 0.00 C ATOM 1397 N9 A B 101 25.008 27.138 40.467 1.00 0.00 N ATOM 1398 C8 A B 101 25.245 28.386 39.946 1.00 0.00 C ATOM 1399 N7 A B 101 24.369 29.289 40.289 1.00 0.00 N ATOM 1400 C5 A B 101 23.524 28.594 41.164 1.00 0.00 C ATOM 1401 C6 A B 101 22.387 28.938 41.933 1.00 0.00 C ATOM 1402 N6 A B 101 21.843 30.139 41.976 1.00 0.00 N ATOM 1403 N1 A B 101 21.746 28.032 42.670 1.00 0.00 N ATOM 1404 C2 A B 101 22.233 26.797 42.683 1.00 0.00 C ATOM 1405 N3 A B 101 23.275 26.326 42.012 1.00 0.00 N ATOM 1406 C4 A B 101 23.900 27.283 41.274 1.00 0.00 C ATOM 0 H5' A B 101 24.252 22.415 38.995 1.00 0.00 H new ATOM 0 H5'' A B 101 25.599 21.571 39.733 1.00 0.00 H new ATOM 0 H4' A B 101 26.404 23.497 38.708 1.00 0.00 H new ATOM 0 H3' A B 101 27.034 23.141 41.504 1.00 0.00 H new ATOM 0 H2' A B 101 25.501 24.912 42.205 1.00 0.00 H new ATOM 0 HO2' A B 101 27.765 25.390 42.708 1.00 0.00 H new ATOM 0 HO5' A B 101 23.738 21.623 41.103 1.00 0.00 H new ATOM 0 H1' A B 101 26.644 26.321 39.666 1.00 0.00 H new ATOM 0 H8 A B 101 26.087 28.602 39.305 1.00 0.00 H new ATOM 0 H61 A B 101 21.022 30.306 42.557 1.00 0.00 H new ATOM 0 H62 A B 101 22.244 30.900 41.428 1.00 0.00 H new ATOM 0 H2 A B 101 21.718 26.090 43.317 1.00 0.00 H new ATOM 1419 P C B 102 29.483 24.361 40.945 1.00 0.00 P ATOM 1420 OP1 C B 102 30.488 23.380 40.481 1.00 0.00 O ATOM 1421 OP2 C B 102 29.187 24.371 42.390 1.00 0.00 O ATOM 1422 O5' C B 102 29.999 25.815 40.554 1.00 0.00 O ATOM 1423 C5' C B 102 30.525 26.068 39.261 1.00 0.00 C ATOM 1424 C4' C B 102 31.061 27.498 39.089 1.00 0.00 C ATOM 1425 O4' C B 102 30.017 28.466 39.041 1.00 0.00 O ATOM 1426 C3' C B 102 32.022 27.935 40.204 1.00 0.00 C ATOM 1427 O3' C B 102 33.124 28.648 39.649 1.00 0.00 O ATOM 1428 C2' C B 102 31.112 28.884 41.008 1.00 0.00 C ATOM 1429 O2' C B 102 31.845 29.777 41.831 1.00 0.00 O ATOM 1430 C1' C B 102 30.353 29.579 39.868 1.00 0.00 C ATOM 1431 N1 C B 102 29.107 30.390 40.135 1.00 0.00 N ATOM 1432 C2 C B 102 28.952 31.216 41.270 1.00 0.00 C ATOM 1433 O2 C B 102 29.781 31.281 42.176 1.00 0.00 O ATOM 1434 N3 C B 102 27.878 32.035 41.400 1.00 0.00 N ATOM 1435 C4 C B 102 26.960 32.046 40.453 1.00 0.00 C ATOM 1436 N4 C B 102 25.956 32.858 40.642 1.00 0.00 N ATOM 1437 C5 C B 102 27.083 31.289 39.260 1.00 0.00 C ATOM 1438 C6 C B 102 28.163 30.481 39.135 1.00 0.00 C ATOM 0 H5' C B 102 29.747 25.888 38.519 1.00 0.00 H new ATOM 0 H5'' C B 102 31.329 25.360 39.059 1.00 0.00 H new ATOM 0 H4' C B 102 31.598 27.458 38.141 1.00 0.00 H new ATOM 0 H3' C B 102 32.456 27.121 40.785 1.00 0.00 H new ATOM 0 H2' C B 102 30.463 28.391 41.732 1.00 0.00 H new ATOM 0 HO2' C B 102 31.255 30.495 42.141 1.00 0.00 H new ATOM 0 H1' C B 102 30.997 30.370 39.482 1.00 0.00 H new ATOM 0 H41 C B 102 25.210 32.917 39.949 1.00 0.00 H new ATOM 0 H42 C B 102 25.917 33.434 41.483 1.00 0.00 H new ATOM 0 H5 C B 102 26.341 31.355 38.478 1.00 0.00 H new ATOM 0 H6 C B 102 28.287 29.897 38.235 1.00 0.00 H new ATOM 1450 P A B 103 34.357 27.902 38.959 1.00 0.00 P ATOM 1451 OP1 A B 103 33.885 26.696 38.258 1.00 0.00 O ATOM 1452 OP2 A B 103 35.477 27.782 39.911 1.00 0.00 O ATOM 1453 O5' A B 103 34.855 28.942 37.844 1.00 0.00 O ATOM 1454 C5' A B 103 35.113 30.284 38.218 1.00 0.00 C ATOM 1455 C4' A B 103 35.849 31.134 37.163 1.00 0.00 C ATOM 1456 O4' A B 103 34.931 31.749 36.265 1.00 0.00 O ATOM 1457 C3' A B 103 36.668 32.261 37.833 1.00 0.00 C ATOM 1458 O3' A B 103 38.071 32.211 37.600 1.00 0.00 O ATOM 1459 C2' A B 103 36.112 33.570 37.258 1.00 0.00 C ATOM 1460 O2' A B 103 37.032 34.163 36.358 1.00 0.00 O ATOM 1461 C1' A B 103 34.871 33.151 36.480 1.00 0.00 C ATOM 1462 N9 A B 103 33.600 33.562 37.135 1.00 0.00 N ATOM 1463 C8 A B 103 32.523 34.142 36.508 1.00 0.00 C ATOM 1464 N7 A B 103 31.492 34.353 37.275 1.00 0.00 N ATOM 1465 C5 A B 103 31.915 33.860 38.517 1.00 0.00 C ATOM 1466 C6 A B 103 31.302 33.709 39.784 1.00 0.00 C ATOM 1467 N6 A B 103 30.064 34.049 40.078 1.00 0.00 N ATOM 1468 N1 A B 103 31.945 33.132 40.794 1.00 0.00 N ATOM 1469 C2 A B 103 33.189 32.744 40.586 1.00 0.00 C ATOM 1470 N3 A B 103 33.934 32.895 39.498 1.00 0.00 N ATOM 1471 C4 A B 103 33.212 33.418 38.456 1.00 0.00 C ATOM 0 H5' A B 103 35.704 30.281 39.134 1.00 0.00 H new ATOM 0 H5'' A B 103 34.164 30.767 38.452 1.00 0.00 H new ATOM 0 H4' A B 103 36.508 30.456 36.621 1.00 0.00 H new ATOM 0 H3' A B 103 36.564 32.162 38.913 1.00 0.00 H new ATOM 0 H2' A B 103 35.911 34.296 38.046 1.00 0.00 H new ATOM 0 HO2' A B 103 37.888 33.689 36.406 1.00 0.00 H new ATOM 0 H1' A B 103 34.868 33.673 35.523 1.00 0.00 H new ATOM 0 H8 A B 103 32.531 34.403 35.460 1.00 0.00 H new ATOM 0 H61 A B 103 29.705 33.903 41.022 1.00 0.00 H new ATOM 0 H62 A B 103 29.464 34.458 39.362 1.00 0.00 H new ATOM 0 H2 A B 103 33.665 32.236 41.412 1.00 0.00 H new ATOM 1483 P U B 104 38.951 30.990 38.093 1.00 0.00 P ATOM 1484 OP1 U B 104 38.200 30.218 39.090 1.00 0.00 O ATOM 1485 OP2 U B 104 40.299 31.470 38.448 1.00 0.00 O ATOM 1486 O5' U B 104 39.012 30.091 36.798 1.00 0.00 O ATOM 1487 C5' U B 104 39.917 30.374 35.750 1.00 0.00 C ATOM 1488 C4' U B 104 39.537 29.552 34.515 1.00 0.00 C ATOM 1489 O4' U B 104 38.373 30.130 33.945 1.00 0.00 O ATOM 1490 C3' U B 104 40.644 29.512 33.456 1.00 0.00 C ATOM 1491 O3' U B 104 41.559 28.408 33.494 1.00 0.00 O ATOM 1492 C2' U B 104 39.811 29.453 32.158 1.00 0.00 C ATOM 1493 O2' U B 104 39.540 28.125 31.718 1.00 0.00 O ATOM 1494 C1' U B 104 38.430 30.001 32.540 1.00 0.00 C ATOM 1495 N1 U B 104 38.013 31.293 31.929 1.00 0.00 N ATOM 1496 C2 U B 104 38.692 32.471 32.279 1.00 0.00 C ATOM 1497 O2 U B 104 39.912 32.540 32.404 1.00 0.00 O ATOM 1498 N3 U B 104 37.936 33.624 32.352 1.00 0.00 N ATOM 1499 C4 U B 104 36.644 33.745 31.907 1.00 0.00 C ATOM 1500 O4 U B 104 36.030 34.787 32.054 1.00 0.00 O ATOM 1501 C5 U B 104 36.125 32.562 31.265 1.00 0.00 C ATOM 1502 C6 U B 104 36.785 31.377 31.311 1.00 0.00 C ATOM 0 H5' U B 104 40.935 30.137 36.059 1.00 0.00 H new ATOM 0 H5'' U B 104 39.896 31.438 35.513 1.00 0.00 H new ATOM 0 H4' U B 104 39.369 28.524 34.836 1.00 0.00 H new ATOM 0 H3' U B 104 41.319 30.357 33.590 1.00 0.00 H new ATOM 0 H2' U B 104 40.359 29.987 31.381 1.00 0.00 H new ATOM 0 HO2' U B 104 40.063 27.934 30.912 1.00 0.00 H new ATOM 0 H1' U B 104 37.728 29.272 32.134 1.00 0.00 H new ATOM 0 H3 U B 104 38.371 34.448 32.768 1.00 0.00 H new ATOM 0 H5 U B 104 35.187 32.621 30.734 1.00 0.00 H new ATOM 0 H6 U B 104 36.346 30.498 30.862 1.00 0.00 H new ATOM 1513 P C B 105 42.137 27.722 34.832 1.00 0.00 P ATOM 1514 OP1 C B 105 43.139 26.715 34.424 1.00 0.00 O ATOM 1515 OP2 C B 105 41.016 27.297 35.695 1.00 0.00 O ATOM 1516 O5' C B 105 42.943 28.881 35.602 1.00 0.00 O ATOM 1517 C5' C B 105 43.219 28.738 36.986 1.00 0.00 C ATOM 1518 C4' C B 105 44.453 29.497 37.511 1.00 0.00 C ATOM 1519 O4' C B 105 45.637 29.008 36.885 1.00 0.00 O ATOM 1520 C3' C B 105 44.448 31.026 37.338 1.00 0.00 C ATOM 1521 O3' C B 105 45.186 31.676 38.383 1.00 0.00 O ATOM 1522 C2' C B 105 45.158 31.133 35.977 1.00 0.00 C ATOM 1523 O2' C B 105 45.719 32.411 35.711 1.00 0.00 O ATOM 1524 C1' C B 105 46.230 30.051 36.121 1.00 0.00 C ATOM 1525 N1 C B 105 46.739 29.501 34.829 1.00 0.00 N ATOM 1526 C2 C B 105 48.087 29.683 34.492 1.00 0.00 C ATOM 1527 O2 C B 105 48.836 30.393 35.169 1.00 0.00 O ATOM 1528 N3 C B 105 48.628 29.042 33.416 1.00 0.00 N ATOM 1529 C4 C B 105 47.848 28.262 32.696 1.00 0.00 C ATOM 1530 N4 C B 105 48.425 27.613 31.719 1.00 0.00 N ATOM 1531 C5 C B 105 46.472 28.056 32.969 1.00 0.00 C ATOM 1532 C6 C B 105 45.953 28.691 34.047 1.00 0.00 C ATOM 0 H5' C B 105 43.350 27.678 37.202 1.00 0.00 H new ATOM 0 H5'' C B 105 42.346 29.072 37.547 1.00 0.00 H new ATOM 0 H4' C B 105 44.421 29.307 38.584 1.00 0.00 H new ATOM 0 H3' C B 105 43.467 31.498 37.382 1.00 0.00 H new ATOM 0 H2' C B 105 44.481 31.002 35.133 1.00 0.00 H new ATOM 0 HO2' C B 105 45.909 32.867 36.557 1.00 0.00 H new ATOM 0 H1' C B 105 47.105 30.495 36.596 1.00 0.00 H new ATOM 0 H41 C B 105 47.876 26.993 31.124 1.00 0.00 H new ATOM 0 H42 C B 105 49.425 27.727 31.551 1.00 0.00 H new ATOM 0 H5 C B 105 45.863 27.420 32.344 1.00 0.00 H new ATOM 0 H6 C B 105 44.910 28.559 34.294 1.00 0.00 H new ATOM 1544 P A B 106 44.712 31.667 39.907 1.00 0.00 P ATOM 1545 OP1 A B 106 43.236 31.547 39.936 1.00 0.00 O ATOM 1546 OP2 A B 106 45.331 32.787 40.650 1.00 0.00 O ATOM 1547 O5' A B 106 45.298 30.305 40.501 1.00 0.00 O ATOM 1548 C5' A B 106 45.028 29.914 41.836 1.00 0.00 C ATOM 1549 C4' A B 106 45.419 28.453 42.098 1.00 0.00 C ATOM 1550 O4' A B 106 44.678 27.543 41.298 1.00 0.00 O ATOM 1551 C3' A B 106 46.879 28.110 41.798 1.00 0.00 C ATOM 1552 O3' A B 106 47.751 28.413 42.871 1.00 0.00 O ATOM 1553 C2' A B 106 46.830 26.578 41.674 1.00 0.00 C ATOM 1554 O2' A B 106 47.163 25.966 42.927 1.00 0.00 O ATOM 1555 C1' A B 106 45.363 26.298 41.314 1.00 0.00 C ATOM 1556 N9 A B 106 45.266 25.620 40.003 1.00 0.00 N ATOM 1557 C8 A B 106 45.345 26.164 38.742 1.00 0.00 C ATOM 1558 N7 A B 106 45.304 25.287 37.772 1.00 0.00 N ATOM 1559 C5 A B 106 45.200 24.069 38.457 1.00 0.00 C ATOM 1560 C6 A B 106 45.146 22.710 38.064 1.00 0.00 C ATOM 1561 N6 A B 106 45.152 22.281 36.821 1.00 0.00 N ATOM 1562 N1 A B 106 45.129 21.726 38.965 1.00 0.00 N ATOM 1563 C2 A B 106 45.105 22.071 40.246 1.00 0.00 C ATOM 1564 N3 A B 106 45.132 23.293 40.774 1.00 0.00 N ATOM 1565 C4 A B 106 45.185 24.259 39.811 1.00 0.00 C ATOM 0 H5' A B 106 43.967 30.048 42.045 1.00 0.00 H new ATOM 0 H5'' A B 106 45.573 30.563 42.521 1.00 0.00 H new ATOM 0 H4' A B 106 45.215 28.353 43.164 1.00 0.00 H new ATOM 0 H3' A B 106 47.246 28.662 40.933 1.00 0.00 H new ATOM 0 H2' A B 106 47.533 26.184 40.941 1.00 0.00 H new ATOM 0 HO2' A B 106 47.648 26.608 43.486 1.00 0.00 H new ATOM 0 HO3' A B 106 48.669 28.172 42.625 1.00 0.00 H new ATOM 0 H1' A B 106 44.911 25.633 42.050 1.00 0.00 H new ATOM 0 H8 A B 106 45.433 27.226 38.567 1.00 0.00 H new ATOM 0 H61 A B 106 45.110 21.281 36.627 1.00 0.00 H new ATOM 0 H62 A B 106 45.198 22.949 36.051 1.00 0.00 H new ATOM 0 H2 A B 106 45.057 21.255 40.952 1.00 0.00 H new TER 1578 A B 106