USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=23 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 36 LYS NZ :NH3+ 153:sc= 2.43 (180deg=1.98) USER MOD Set 1.2: B 104 U O2' : rot -69:sc= 0.136 USER MOD Single : A 0 HIS : no HD1:sc= -0.042 X(o=-0.042,f=-0.073) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 50:sc= 0.965 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -14:sc= 0.209 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00566 USER MOD Single : A 18 HIS : no HD1:sc= 0.238 K(o=0.24,f=-1.8!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 37 CYS SG : rot 33:sc= -0.692 USER MOD Single : A 40 LYS NZ :NH3+ -149:sc= 2.1 (180deg=-0.503) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.034 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= 0.964 (180deg=0.869) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.0487 USER MOD Single : A 74 ASN : amide:sc= 1.02 K(o=1,f=-0.11) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.233 K(o=0.23,f=-1.8!) USER MOD Single : B 101 A O2' : rot 21:sc= 0.0391 USER MOD Single : B 101 A O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot 27:sc= 0.0237 USER MOD Single : B 103 A O2' : rot 23:sc= 0.0047 USER MOD Single : B 105 C O2' : rot 180:sc= 0 USER MOD Single : B 106 A O2' : rot 180:sc= 0 USER MOD Single : B 106 A O3' : rot 129:sc= 0.0641 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 19.842 38.125 41.830 1.00 0.00 N ATOM 2 CA GLY A -2 21.277 38.239 42.173 1.00 0.00 C ATOM 3 C GLY A -2 21.589 39.622 42.720 1.00 0.00 C ATOM 4 O GLY A -2 21.575 40.594 41.965 1.00 0.00 O ATOM 0 H1 GLY A -2 19.649 37.173 41.458 1.00 0.00 H new ATOM 0 H2 GLY A -2 19.268 38.287 42.682 1.00 0.00 H new ATOM 0 H3 GLY A -2 19.600 38.834 41.109 1.00 0.00 H new ATOM 0 HA2 GLY A -2 21.541 37.482 42.912 1.00 0.00 H new ATOM 0 HA3 GLY A -2 21.884 38.047 41.288 1.00 0.00 H new ATOM 10 N SER A -1 21.872 39.715 44.025 1.00 0.00 N ATOM 11 CA SER A -1 22.102 40.975 44.751 1.00 0.00 C ATOM 12 C SER A -1 23.253 40.815 45.755 1.00 0.00 C ATOM 13 O SER A -1 23.073 40.242 46.833 1.00 0.00 O ATOM 14 CB SER A -1 20.820 41.421 45.476 1.00 0.00 C ATOM 15 OG SER A -1 19.745 41.608 44.564 1.00 0.00 O ATOM 0 H SER A -1 21.950 38.893 44.624 1.00 0.00 H new ATOM 0 HA SER A -1 22.377 41.743 44.027 1.00 0.00 H new ATOM 0 HB2 SER A -1 20.542 40.674 46.219 1.00 0.00 H new ATOM 0 HB3 SER A -1 21.009 42.350 46.013 1.00 0.00 H new ATOM 0 HG SER A -1 18.945 41.889 45.055 1.00 0.00 H new ATOM 21 N HIS A 0 24.438 41.311 45.391 1.00 0.00 N ATOM 22 CA HIS A 0 25.697 41.134 46.139 1.00 0.00 C ATOM 23 C HIS A 0 26.594 42.380 46.068 1.00 0.00 C ATOM 24 O HIS A 0 26.541 43.145 45.100 1.00 0.00 O ATOM 25 CB HIS A 0 26.466 39.909 45.601 1.00 0.00 C ATOM 26 CG HIS A 0 25.722 38.594 45.678 1.00 0.00 C ATOM 27 ND1 HIS A 0 24.866 38.075 44.696 1.00 0.00 N ATOM 28 CD2 HIS A 0 25.779 37.716 46.719 1.00 0.00 C ATOM 29 CE1 HIS A 0 24.436 36.893 45.174 1.00 0.00 C ATOM 30 NE2 HIS A 0 24.965 36.655 46.386 1.00 0.00 N ATOM 0 H HIS A 0 24.557 41.865 44.543 1.00 0.00 H new ATOM 0 HA HIS A 0 25.432 40.975 47.184 1.00 0.00 H new ATOM 0 HB2 HIS A 0 26.733 40.096 44.561 1.00 0.00 H new ATOM 0 HB3 HIS A 0 27.399 39.813 46.157 1.00 0.00 H new ATOM 0 HD2 HIS A 0 26.351 37.830 47.628 1.00 0.00 H new ATOM 0 HE1 HIS A 0 23.760 36.229 44.656 1.00 0.00 H new ATOM 0 HE2 HIS A 0 24.793 35.830 46.961 1.00 0.00 H new ATOM 38 N MET A 1 27.444 42.568 47.082 1.00 0.00 N ATOM 39 CA MET A 1 28.499 43.594 47.097 1.00 0.00 C ATOM 40 C MET A 1 29.654 43.241 46.139 1.00 0.00 C ATOM 41 O MET A 1 29.870 42.070 45.814 1.00 0.00 O ATOM 42 CB MET A 1 29.037 43.782 48.526 1.00 0.00 C ATOM 43 CG MET A 1 27.954 44.258 49.506 1.00 0.00 C ATOM 44 SD MET A 1 28.574 44.557 51.185 1.00 0.00 S ATOM 45 CE MET A 1 27.020 45.030 51.996 1.00 0.00 C ATOM 0 H MET A 1 27.420 42.004 47.931 1.00 0.00 H new ATOM 0 HA MET A 1 28.055 44.528 46.752 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.454 42.839 48.880 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.852 44.505 48.511 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.508 45.176 49.124 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.161 43.512 49.548 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.210 45.252 53.046 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.609 45.913 51.507 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.307 44.209 51.922 1.00 0.00 H new ATOM 55 N VAL A 2 30.422 44.248 45.710 1.00 0.00 N ATOM 56 CA VAL A 2 31.607 44.092 44.845 1.00 0.00 C ATOM 57 C VAL A 2 32.682 45.140 45.173 1.00 0.00 C ATOM 58 O VAL A 2 32.369 46.290 45.481 1.00 0.00 O ATOM 59 CB VAL A 2 31.200 44.081 43.354 1.00 0.00 C ATOM 60 CG1 VAL A 2 30.635 45.417 42.853 1.00 0.00 C ATOM 61 CG2 VAL A 2 32.368 43.678 42.447 1.00 0.00 C ATOM 0 H VAL A 2 30.236 45.220 45.958 1.00 0.00 H new ATOM 0 HA VAL A 2 32.062 43.123 45.050 1.00 0.00 H new ATOM 0 HB VAL A 2 30.405 43.337 43.298 1.00 0.00 H new ATOM 0 HG11 VAL A 2 30.373 45.329 41.799 1.00 0.00 H new ATOM 0 HG12 VAL A 2 29.745 45.674 43.428 1.00 0.00 H new ATOM 0 HG13 VAL A 2 31.385 46.198 42.976 1.00 0.00 H new ATOM 0 HG21 VAL A 2 32.040 43.683 41.408 1.00 0.00 H new ATOM 0 HG22 VAL A 2 33.187 44.386 42.572 1.00 0.00 H new ATOM 0 HG23 VAL A 2 32.709 42.678 42.715 1.00 0.00 H new ATOM 71 N ILE A 3 33.952 44.723 45.132 1.00 0.00 N ATOM 72 CA ILE A 3 35.150 45.492 45.517 1.00 0.00 C ATOM 73 C ILE A 3 36.282 45.215 44.507 1.00 0.00 C ATOM 74 O ILE A 3 36.373 44.107 43.973 1.00 0.00 O ATOM 75 CB ILE A 3 35.566 45.132 46.974 1.00 0.00 C ATOM 76 CG1 ILE A 3 34.509 45.511 48.038 1.00 0.00 C ATOM 77 CG2 ILE A 3 36.929 45.723 47.383 1.00 0.00 C ATOM 78 CD1 ILE A 3 34.269 47.014 48.243 1.00 0.00 C ATOM 0 H ILE A 3 34.190 43.785 44.811 1.00 0.00 H new ATOM 0 HA ILE A 3 34.934 46.560 45.495 1.00 0.00 H new ATOM 0 HB ILE A 3 35.649 44.045 46.952 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.562 45.046 47.762 1.00 0.00 H new ATOM 0 HG13 ILE A 3 34.811 45.078 48.992 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.158 45.434 48.409 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.704 45.344 46.718 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.890 46.810 47.312 1.00 0.00 H new ATOM 0 HD11 ILE A 3 33.509 47.160 49.011 1.00 0.00 H new ATOM 0 HD12 ILE A 3 35.198 47.491 48.556 1.00 0.00 H new ATOM 0 HD13 ILE A 3 33.930 47.459 47.308 1.00 0.00 H new ATOM 90 N ARG A 4 37.157 46.210 44.268 1.00 0.00 N ATOM 91 CA ARG A 4 38.303 46.150 43.329 1.00 0.00 C ATOM 92 C ARG A 4 37.852 45.865 41.885 1.00 0.00 C ATOM 93 O ARG A 4 38.272 44.897 41.252 1.00 0.00 O ATOM 94 CB ARG A 4 39.395 45.212 43.907 1.00 0.00 C ATOM 95 CG ARG A 4 40.844 45.502 43.470 1.00 0.00 C ATOM 96 CD ARG A 4 41.150 45.163 42.007 1.00 0.00 C ATOM 97 NE ARG A 4 42.596 45.216 41.719 1.00 0.00 N ATOM 98 CZ ARG A 4 43.191 44.799 40.614 1.00 0.00 C ATOM 99 NH1 ARG A 4 42.517 44.299 39.614 1.00 0.00 N ATOM 100 NH2 ARG A 4 44.485 44.874 40.491 1.00 0.00 N ATOM 0 H ARG A 4 37.086 47.112 44.738 1.00 0.00 H new ATOM 0 HA ARG A 4 38.775 47.128 43.240 1.00 0.00 H new ATOM 0 HB2 ARG A 4 39.349 45.263 44.995 1.00 0.00 H new ATOM 0 HB3 ARG A 4 39.151 44.188 43.625 1.00 0.00 H new ATOM 0 HG2 ARG A 4 41.055 46.558 43.636 1.00 0.00 H new ATOM 0 HG3 ARG A 4 41.522 44.937 44.110 1.00 0.00 H new ATOM 0 HD2 ARG A 4 40.771 44.167 41.779 1.00 0.00 H new ATOM 0 HD3 ARG A 4 40.625 45.861 41.355 1.00 0.00 H new ATOM 0 HE ARG A 4 43.195 45.613 42.443 1.00 0.00 H new ATOM 0 HH11 ARG A 4 41.502 44.221 39.672 1.00 0.00 H new ATOM 0 HH12 ARG A 4 43.006 43.986 38.775 1.00 0.00 H new ATOM 0 HH21 ARG A 4 45.048 45.257 41.250 1.00 0.00 H new ATOM 0 HH22 ARG A 4 44.936 44.550 39.635 1.00 0.00 H new ATOM 114 N GLU A 5 36.997 46.755 41.371 1.00 0.00 N ATOM 115 CA GLU A 5 36.425 46.743 40.010 1.00 0.00 C ATOM 116 C GLU A 5 35.553 45.495 39.695 1.00 0.00 C ATOM 117 O GLU A 5 35.363 44.614 40.536 1.00 0.00 O ATOM 118 CB GLU A 5 37.553 47.028 38.991 1.00 0.00 C ATOM 119 CG GLU A 5 37.080 47.567 37.630 1.00 0.00 C ATOM 120 CD GLU A 5 38.209 48.278 36.855 1.00 0.00 C ATOM 121 OE1 GLU A 5 39.350 47.759 36.797 1.00 0.00 O ATOM 122 OE2 GLU A 5 37.954 49.363 36.276 1.00 0.00 O ATOM 0 H GLU A 5 36.664 47.548 41.919 1.00 0.00 H new ATOM 0 HA GLU A 5 35.693 47.547 39.930 1.00 0.00 H new ATOM 0 HB2 GLU A 5 38.244 47.748 39.429 1.00 0.00 H new ATOM 0 HB3 GLU A 5 38.113 46.108 38.825 1.00 0.00 H new ATOM 0 HG2 GLU A 5 36.694 46.743 37.030 1.00 0.00 H new ATOM 0 HG3 GLU A 5 36.255 48.262 37.784 1.00 0.00 H new ATOM 129 N SER A 6 34.960 45.437 38.498 1.00 0.00 N ATOM 130 CA SER A 6 34.058 44.363 38.046 1.00 0.00 C ATOM 131 C SER A 6 34.119 44.162 36.521 1.00 0.00 C ATOM 132 O SER A 6 34.597 45.029 35.780 1.00 0.00 O ATOM 133 CB SER A 6 32.618 44.668 38.492 1.00 0.00 C ATOM 134 OG SER A 6 32.115 45.837 37.863 1.00 0.00 O ATOM 0 H SER A 6 35.097 46.159 37.791 1.00 0.00 H new ATOM 0 HA SER A 6 34.390 43.432 38.506 1.00 0.00 H new ATOM 0 HB2 SER A 6 31.975 43.820 38.254 1.00 0.00 H new ATOM 0 HB3 SER A 6 32.590 44.795 39.574 1.00 0.00 H new ATOM 0 HG SER A 6 31.198 46.003 38.166 1.00 0.00 H new ATOM 140 N VAL A 7 33.638 43.009 36.042 1.00 0.00 N ATOM 141 CA VAL A 7 33.528 42.666 34.612 1.00 0.00 C ATOM 142 C VAL A 7 32.354 41.707 34.366 1.00 0.00 C ATOM 143 O VAL A 7 32.059 40.840 35.192 1.00 0.00 O ATOM 144 CB VAL A 7 34.870 42.120 34.068 1.00 0.00 C ATOM 145 CG1 VAL A 7 35.247 40.746 34.635 1.00 0.00 C ATOM 146 CG2 VAL A 7 34.871 42.027 32.538 1.00 0.00 C ATOM 0 H VAL A 7 33.304 42.264 36.653 1.00 0.00 H new ATOM 0 HA VAL A 7 33.311 43.576 34.052 1.00 0.00 H new ATOM 0 HB VAL A 7 35.614 42.844 34.400 1.00 0.00 H new ATOM 0 HG11 VAL A 7 36.198 40.426 34.210 1.00 0.00 H new ATOM 0 HG12 VAL A 7 35.338 40.812 35.719 1.00 0.00 H new ATOM 0 HG13 VAL A 7 34.473 40.022 34.379 1.00 0.00 H new ATOM 0 HG21 VAL A 7 35.831 41.639 32.198 1.00 0.00 H new ATOM 0 HG22 VAL A 7 34.074 41.358 32.214 1.00 0.00 H new ATOM 0 HG23 VAL A 7 34.709 43.018 32.113 1.00 0.00 H new ATOM 156 N SER A 8 31.669 41.866 33.232 1.00 0.00 N ATOM 157 CA SER A 8 30.558 41.001 32.813 1.00 0.00 C ATOM 158 C SER A 8 31.052 39.643 32.297 1.00 0.00 C ATOM 159 O SER A 8 31.902 39.601 31.406 1.00 0.00 O ATOM 160 CB SER A 8 29.755 41.709 31.718 1.00 0.00 C ATOM 161 OG SER A 8 28.744 40.856 31.225 1.00 0.00 O ATOM 0 H SER A 8 31.872 42.611 32.566 1.00 0.00 H new ATOM 0 HA SER A 8 29.929 40.812 33.683 1.00 0.00 H new ATOM 0 HB2 SER A 8 29.309 42.621 32.116 1.00 0.00 H new ATOM 0 HB3 SER A 8 30.418 42.006 30.906 1.00 0.00 H new ATOM 0 HG SER A 8 28.242 40.476 31.976 1.00 0.00 H new ATOM 167 N ARG A 9 30.485 38.532 32.793 1.00 0.00 N ATOM 168 CA ARG A 9 30.571 37.213 32.140 1.00 0.00 C ATOM 169 C ARG A 9 29.293 36.380 32.282 1.00 0.00 C ATOM 170 O ARG A 9 28.675 36.364 33.346 1.00 0.00 O ATOM 171 CB ARG A 9 31.846 36.422 32.529 1.00 0.00 C ATOM 172 CG ARG A 9 32.037 36.075 34.019 1.00 0.00 C ATOM 173 CD ARG A 9 32.829 37.127 34.812 1.00 0.00 C ATOM 174 NE ARG A 9 34.259 37.177 34.425 1.00 0.00 N ATOM 175 CZ ARG A 9 35.314 37.045 35.211 1.00 0.00 C ATOM 176 NH1 ARG A 9 35.231 36.633 36.443 1.00 0.00 N ATOM 177 NH2 ARG A 9 36.498 37.332 34.769 1.00 0.00 N ATOM 0 H ARG A 9 29.951 38.522 33.662 1.00 0.00 H new ATOM 0 HA ARG A 9 30.666 37.429 31.076 1.00 0.00 H new ATOM 0 HB2 ARG A 9 31.851 35.491 31.963 1.00 0.00 H new ATOM 0 HB3 ARG A 9 32.712 36.998 32.203 1.00 0.00 H new ATOM 0 HG2 ARG A 9 31.057 35.950 34.480 1.00 0.00 H new ATOM 0 HG3 ARG A 9 32.550 35.116 34.095 1.00 0.00 H new ATOM 0 HD2 ARG A 9 32.380 38.108 34.656 1.00 0.00 H new ATOM 0 HD3 ARG A 9 32.752 36.907 35.877 1.00 0.00 H new ATOM 0 HE ARG A 9 34.452 37.331 33.435 1.00 0.00 H new ATOM 0 HH11 ARG A 9 34.322 36.396 36.841 1.00 0.00 H new ATOM 0 HH12 ARG A 9 36.075 36.547 37.010 1.00 0.00 H new ATOM 0 HH21 ARG A 9 36.619 37.661 33.811 1.00 0.00 H new ATOM 0 HH22 ARG A 9 37.309 37.229 35.379 1.00 0.00 H new ATOM 191 N ILE A 10 28.891 35.699 31.207 1.00 0.00 N ATOM 192 CA ILE A 10 27.790 34.713 31.186 1.00 0.00 C ATOM 193 C ILE A 10 28.239 33.413 31.870 1.00 0.00 C ATOM 194 O ILE A 10 29.418 33.058 31.820 1.00 0.00 O ATOM 195 CB ILE A 10 27.290 34.487 29.731 1.00 0.00 C ATOM 196 CG1 ILE A 10 26.413 35.697 29.325 1.00 0.00 C ATOM 197 CG2 ILE A 10 26.527 33.163 29.521 1.00 0.00 C ATOM 198 CD1 ILE A 10 25.827 35.645 27.907 1.00 0.00 C ATOM 0 H ILE A 10 29.332 35.817 30.295 1.00 0.00 H new ATOM 0 HA ILE A 10 26.941 35.098 31.751 1.00 0.00 H new ATOM 0 HB ILE A 10 28.169 34.406 29.092 1.00 0.00 H new ATOM 0 HG12 ILE A 10 25.591 35.782 30.036 1.00 0.00 H new ATOM 0 HG13 ILE A 10 27.010 36.604 29.419 1.00 0.00 H new ATOM 0 HG21 ILE A 10 26.214 33.085 28.480 1.00 0.00 H new ATOM 0 HG22 ILE A 10 27.178 32.325 29.768 1.00 0.00 H new ATOM 0 HG23 ILE A 10 25.649 33.143 30.166 1.00 0.00 H new ATOM 0 HD11 ILE A 10 25.231 36.539 27.727 1.00 0.00 H new ATOM 0 HD12 ILE A 10 26.638 35.597 27.180 1.00 0.00 H new ATOM 0 HD13 ILE A 10 25.196 34.762 27.806 1.00 0.00 H new ATOM 210 N TYR A 11 27.281 32.691 32.461 1.00 0.00 N ATOM 211 CA TYR A 11 27.455 31.361 33.051 1.00 0.00 C ATOM 212 C TYR A 11 26.369 30.375 32.573 1.00 0.00 C ATOM 213 O TYR A 11 25.193 30.726 32.437 1.00 0.00 O ATOM 214 CB TYR A 11 27.479 31.496 34.582 1.00 0.00 C ATOM 215 CG TYR A 11 27.273 30.190 35.323 1.00 0.00 C ATOM 216 CD1 TYR A 11 28.344 29.293 35.479 1.00 0.00 C ATOM 217 CD2 TYR A 11 25.996 29.853 35.813 1.00 0.00 C ATOM 218 CE1 TYR A 11 28.144 28.070 36.147 1.00 0.00 C ATOM 219 CE2 TYR A 11 25.791 28.632 36.479 1.00 0.00 C ATOM 220 CZ TYR A 11 26.871 27.740 36.659 1.00 0.00 C ATOM 221 OH TYR A 11 26.693 26.577 37.341 1.00 0.00 O ATOM 0 H TYR A 11 26.323 33.032 32.544 1.00 0.00 H new ATOM 0 HA TYR A 11 28.404 30.942 32.717 1.00 0.00 H new ATOM 0 HB2 TYR A 11 28.435 31.925 34.883 1.00 0.00 H new ATOM 0 HB3 TYR A 11 26.704 32.200 34.886 1.00 0.00 H new ATOM 0 HD1 TYR A 11 29.319 29.542 35.087 1.00 0.00 H new ATOM 0 HD2 TYR A 11 25.171 30.536 35.676 1.00 0.00 H new ATOM 0 HE1 TYR A 11 28.968 27.382 36.268 1.00 0.00 H new ATOM 0 HE2 TYR A 11 24.810 28.377 36.852 1.00 0.00 H new ATOM 0 HH TYR A 11 27.466 25.992 37.197 1.00 0.00 H new ATOM 231 N VAL A 12 26.763 29.116 32.356 1.00 0.00 N ATOM 232 CA VAL A 12 25.877 27.957 32.151 1.00 0.00 C ATOM 233 C VAL A 12 26.563 26.702 32.696 1.00 0.00 C ATOM 234 O VAL A 12 27.759 26.510 32.482 1.00 0.00 O ATOM 235 CB VAL A 12 25.445 27.814 30.673 1.00 0.00 C ATOM 236 CG1 VAL A 12 26.615 27.716 29.688 1.00 0.00 C ATOM 237 CG2 VAL A 12 24.546 26.592 30.439 1.00 0.00 C ATOM 0 H VAL A 12 27.750 28.862 32.316 1.00 0.00 H new ATOM 0 HA VAL A 12 24.950 28.108 32.705 1.00 0.00 H new ATOM 0 HB VAL A 12 24.896 28.736 30.480 1.00 0.00 H new ATOM 0 HG11 VAL A 12 26.229 27.618 28.673 1.00 0.00 H new ATOM 0 HG12 VAL A 12 27.226 28.616 29.758 1.00 0.00 H new ATOM 0 HG13 VAL A 12 27.223 26.844 29.931 1.00 0.00 H new ATOM 0 HG21 VAL A 12 24.272 26.539 29.385 1.00 0.00 H new ATOM 0 HG22 VAL A 12 25.083 25.686 30.721 1.00 0.00 H new ATOM 0 HG23 VAL A 12 23.644 26.682 31.045 1.00 0.00 H new ATOM 247 N GLY A 13 25.817 25.856 33.412 1.00 0.00 N ATOM 248 CA GLY A 13 26.318 24.684 34.139 1.00 0.00 C ATOM 249 C GLY A 13 25.480 23.427 33.915 1.00 0.00 C ATOM 250 O GLY A 13 24.280 23.505 33.655 1.00 0.00 O ATOM 0 H GLY A 13 24.808 25.972 33.505 1.00 0.00 H new ATOM 0 HA2 GLY A 13 27.345 24.487 33.831 1.00 0.00 H new ATOM 0 HA3 GLY A 13 26.342 24.910 35.205 1.00 0.00 H new ATOM 254 N ASN A 14 26.115 22.253 34.000 1.00 0.00 N ATOM 255 CA ASN A 14 25.559 20.995 33.469 1.00 0.00 C ATOM 256 C ASN A 14 25.197 21.140 31.968 1.00 0.00 C ATOM 257 O ASN A 14 24.162 20.652 31.515 1.00 0.00 O ATOM 258 CB ASN A 14 24.387 20.471 34.333 1.00 0.00 C ATOM 259 CG ASN A 14 24.633 20.477 35.832 1.00 0.00 C ATOM 260 OD1 ASN A 14 25.116 19.515 36.409 1.00 0.00 O ATOM 261 ND2 ASN A 14 24.273 21.538 36.515 1.00 0.00 N ATOM 0 H ASN A 14 27.030 22.144 34.438 1.00 0.00 H new ATOM 0 HA ASN A 14 26.332 20.229 33.531 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.504 21.075 34.124 1.00 0.00 H new ATOM 0 HB3 ASN A 14 24.156 19.452 34.023 1.00 0.00 H new ATOM 0 HD21 ASN A 14 24.397 21.559 37.527 1.00 0.00 H new ATOM 0 HD22 ASN A 14 23.870 22.342 36.034 1.00 0.00 H new ATOM 268 N LEU A 15 26.012 21.899 31.221 1.00 0.00 N ATOM 269 CA LEU A 15 25.688 22.384 29.871 1.00 0.00 C ATOM 270 C LEU A 15 25.478 21.229 28.859 1.00 0.00 C ATOM 271 O LEU A 15 26.081 20.162 29.017 1.00 0.00 O ATOM 272 CB LEU A 15 26.754 23.421 29.452 1.00 0.00 C ATOM 273 CG LEU A 15 28.100 22.843 28.972 1.00 0.00 C ATOM 274 CD1 LEU A 15 28.167 22.750 27.446 1.00 0.00 C ATOM 275 CD2 LEU A 15 29.243 23.759 29.406 1.00 0.00 C ATOM 0 H LEU A 15 26.932 22.199 31.544 1.00 0.00 H new ATOM 0 HA LEU A 15 24.721 22.888 29.879 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.340 24.038 28.654 1.00 0.00 H new ATOM 0 HB3 LEU A 15 26.945 24.081 30.299 1.00 0.00 H new ATOM 0 HG LEU A 15 28.188 21.848 29.409 1.00 0.00 H new ATOM 0 HD11 LEU A 15 29.131 22.338 27.149 1.00 0.00 H new ATOM 0 HD12 LEU A 15 27.369 22.101 27.086 1.00 0.00 H new ATOM 0 HD13 LEU A 15 28.049 23.744 27.015 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.191 23.345 29.064 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.101 24.749 28.971 1.00 0.00 H new ATOM 0 HD23 LEU A 15 29.253 23.838 30.493 1.00 0.00 H new ATOM 287 N PRO A 16 24.625 21.405 27.828 1.00 0.00 N ATOM 288 CA PRO A 16 24.230 20.325 26.919 1.00 0.00 C ATOM 289 C PRO A 16 25.412 19.817 26.077 1.00 0.00 C ATOM 290 O PRO A 16 26.070 20.588 25.375 1.00 0.00 O ATOM 291 CB PRO A 16 23.098 20.906 26.060 1.00 0.00 C ATOM 292 CG PRO A 16 23.358 22.412 26.082 1.00 0.00 C ATOM 293 CD PRO A 16 23.928 22.638 27.480 1.00 0.00 C ATOM 0 HA PRO A 16 23.892 19.444 27.465 1.00 0.00 H new ATOM 0 HB2 PRO A 16 23.123 20.511 25.045 1.00 0.00 H new ATOM 0 HB3 PRO A 16 22.119 20.663 26.472 1.00 0.00 H new ATOM 0 HG2 PRO A 16 24.061 22.712 25.305 1.00 0.00 H new ATOM 0 HG3 PRO A 16 22.443 22.983 25.921 1.00 0.00 H new ATOM 0 HD2 PRO A 16 24.609 23.489 27.492 1.00 0.00 H new ATOM 0 HD3 PRO A 16 23.135 22.854 28.196 1.00 0.00 H new ATOM 301 N SER A 17 25.670 18.503 26.135 1.00 0.00 N ATOM 302 CA SER A 17 26.852 17.849 25.541 1.00 0.00 C ATOM 303 C SER A 17 28.165 18.509 26.013 1.00 0.00 C ATOM 304 O SER A 17 28.428 18.551 27.222 1.00 0.00 O ATOM 305 CB SER A 17 26.677 17.725 24.015 1.00 0.00 C ATOM 306 OG SER A 17 27.725 16.957 23.446 1.00 0.00 O ATOM 0 H SER A 17 25.049 17.846 26.607 1.00 0.00 H new ATOM 0 HA SER A 17 26.935 16.825 25.906 1.00 0.00 H new ATOM 0 HB2 SER A 17 25.717 17.259 23.792 1.00 0.00 H new ATOM 0 HB3 SER A 17 26.662 18.718 23.565 1.00 0.00 H new ATOM 0 HG SER A 17 27.593 16.890 22.477 1.00 0.00 H new ATOM 312 N HIS A 18 28.988 19.046 25.109 1.00 0.00 N ATOM 313 CA HIS A 18 30.161 19.886 25.402 1.00 0.00 C ATOM 314 C HIS A 18 30.390 20.907 24.273 1.00 0.00 C ATOM 315 O HIS A 18 29.789 20.792 23.198 1.00 0.00 O ATOM 316 CB HIS A 18 31.390 18.997 25.666 1.00 0.00 C ATOM 317 CG HIS A 18 32.401 19.649 26.580 1.00 0.00 C ATOM 318 ND1 HIS A 18 33.348 20.605 26.203 1.00 0.00 N ATOM 319 CD2 HIS A 18 32.489 19.450 27.927 1.00 0.00 C ATOM 320 CE1 HIS A 18 33.997 20.948 27.330 1.00 0.00 C ATOM 321 NE2 HIS A 18 33.501 20.269 28.380 1.00 0.00 N ATOM 0 H HIS A 18 28.853 18.903 24.108 1.00 0.00 H new ATOM 0 HA HIS A 18 29.982 20.464 26.309 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.063 18.055 26.107 1.00 0.00 H new ATOM 0 HB3 HIS A 18 31.868 18.756 24.717 1.00 0.00 H new ATOM 0 HD2 HIS A 18 31.884 18.782 28.522 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.802 21.666 27.384 1.00 0.00 H new ATOM 0 HE2 HIS A 18 33.819 20.347 29.346 1.00 0.00 H new ATOM 329 N VAL A 19 31.232 21.923 24.498 1.00 0.00 N ATOM 330 CA VAL A 19 31.450 23.042 23.561 1.00 0.00 C ATOM 331 C VAL A 19 32.886 23.585 23.634 1.00 0.00 C ATOM 332 O VAL A 19 33.449 23.745 24.719 1.00 0.00 O ATOM 333 CB VAL A 19 30.372 24.130 23.780 1.00 0.00 C ATOM 334 CG1 VAL A 19 30.507 24.897 25.104 1.00 0.00 C ATOM 335 CG2 VAL A 19 30.367 25.148 22.639 1.00 0.00 C ATOM 0 H VAL A 19 31.791 21.996 25.348 1.00 0.00 H new ATOM 0 HA VAL A 19 31.339 22.673 22.541 1.00 0.00 H new ATOM 0 HB VAL A 19 29.434 23.576 23.811 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.713 25.640 25.177 1.00 0.00 H new ATOM 0 HG12 VAL A 19 30.429 24.200 25.938 1.00 0.00 H new ATOM 0 HG13 VAL A 19 31.475 25.397 25.138 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.598 25.898 22.824 1.00 0.00 H new ATOM 0 HG22 VAL A 19 31.341 25.633 22.580 1.00 0.00 H new ATOM 0 HG23 VAL A 19 30.158 24.639 21.698 1.00 0.00 H new ATOM 345 N SER A 20 33.494 23.863 22.476 1.00 0.00 N ATOM 346 CA SER A 20 34.852 24.419 22.363 1.00 0.00 C ATOM 347 C SER A 20 34.870 25.949 22.490 1.00 0.00 C ATOM 348 O SER A 20 33.902 26.620 22.133 1.00 0.00 O ATOM 349 CB SER A 20 35.487 24.015 21.026 1.00 0.00 C ATOM 350 OG SER A 20 35.585 22.602 20.924 1.00 0.00 O ATOM 0 H SER A 20 33.049 23.706 21.572 1.00 0.00 H new ATOM 0 HA SER A 20 35.430 24.006 23.190 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.889 24.404 20.202 1.00 0.00 H new ATOM 0 HB3 SER A 20 36.478 24.461 20.939 1.00 0.00 H new ATOM 0 HG SER A 20 35.991 22.363 20.064 1.00 0.00 H new ATOM 356 N SER A 21 36.005 26.522 22.913 1.00 0.00 N ATOM 357 CA SER A 21 36.227 27.982 22.973 1.00 0.00 C ATOM 358 C SER A 21 35.995 28.669 21.616 1.00 0.00 C ATOM 359 O SER A 21 35.344 29.709 21.547 1.00 0.00 O ATOM 360 CB SER A 21 37.649 28.265 23.472 1.00 0.00 C ATOM 361 OG SER A 21 38.610 27.620 22.645 1.00 0.00 O ATOM 0 H SER A 21 36.810 25.980 23.229 1.00 0.00 H new ATOM 0 HA SER A 21 35.498 28.397 23.668 1.00 0.00 H new ATOM 0 HB2 SER A 21 37.830 29.340 23.478 1.00 0.00 H new ATOM 0 HB3 SER A 21 37.755 27.918 24.500 1.00 0.00 H new ATOM 0 HG SER A 21 39.511 27.814 22.978 1.00 0.00 H new ATOM 367 N ARG A 22 36.435 28.034 20.518 1.00 0.00 N ATOM 368 CA ARG A 22 36.184 28.441 19.122 1.00 0.00 C ATOM 369 C ARG A 22 34.693 28.577 18.797 1.00 0.00 C ATOM 370 O ARG A 22 34.306 29.504 18.085 1.00 0.00 O ATOM 371 CB ARG A 22 36.910 27.421 18.219 1.00 0.00 C ATOM 372 CG ARG A 22 36.727 27.557 16.694 1.00 0.00 C ATOM 373 CD ARG A 22 35.420 26.929 16.179 1.00 0.00 C ATOM 374 NE ARG A 22 35.531 26.481 14.775 1.00 0.00 N ATOM 375 CZ ARG A 22 35.351 27.192 13.677 1.00 0.00 C ATOM 376 NH1 ARG A 22 35.076 28.467 13.710 1.00 0.00 N ATOM 377 NH2 ARG A 22 35.439 26.623 12.510 1.00 0.00 N ATOM 0 H ARG A 22 37.000 27.187 20.579 1.00 0.00 H new ATOM 0 HA ARG A 22 36.577 29.442 18.946 1.00 0.00 H new ATOM 0 HB2 ARG A 22 37.977 27.481 18.436 1.00 0.00 H new ATOM 0 HB3 ARG A 22 36.581 26.423 18.509 1.00 0.00 H new ATOM 0 HG2 ARG A 22 36.745 28.613 16.426 1.00 0.00 H new ATOM 0 HG3 ARG A 22 37.571 27.086 16.190 1.00 0.00 H new ATOM 0 HD2 ARG A 22 35.154 26.081 16.809 1.00 0.00 H new ATOM 0 HD3 ARG A 22 34.612 27.655 16.264 1.00 0.00 H new ATOM 0 HE ARG A 22 35.777 25.501 14.637 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.993 28.948 14.606 1.00 0.00 H new ATOM 0 HH12 ARG A 22 34.944 28.983 12.840 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.647 25.627 12.443 1.00 0.00 H new ATOM 0 HH22 ARG A 22 35.300 27.173 11.663 1.00 0.00 H new ATOM 391 N ASP A 23 33.855 27.681 19.321 1.00 0.00 N ATOM 392 CA ASP A 23 32.405 27.707 19.101 1.00 0.00 C ATOM 393 C ASP A 23 31.726 28.840 19.883 1.00 0.00 C ATOM 394 O ASP A 23 30.969 29.611 19.296 1.00 0.00 O ATOM 395 CB ASP A 23 31.766 26.358 19.475 1.00 0.00 C ATOM 396 CG ASP A 23 32.303 25.142 18.704 1.00 0.00 C ATOM 397 OD1 ASP A 23 32.720 25.278 17.530 1.00 0.00 O ATOM 398 OD2 ASP A 23 32.266 24.023 19.273 1.00 0.00 O ATOM 0 H ASP A 23 34.164 26.911 19.914 1.00 0.00 H new ATOM 0 HA ASP A 23 32.251 27.891 18.038 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.916 26.187 20.541 1.00 0.00 H new ATOM 0 HB3 ASP A 23 30.691 26.426 19.311 1.00 0.00 H new ATOM 403 N VAL A 24 32.015 28.988 21.186 1.00 0.00 N ATOM 404 CA VAL A 24 31.426 30.074 21.997 1.00 0.00 C ATOM 405 C VAL A 24 31.932 31.462 21.583 1.00 0.00 C ATOM 406 O VAL A 24 31.151 32.410 21.595 1.00 0.00 O ATOM 407 CB VAL A 24 31.564 29.858 23.519 1.00 0.00 C ATOM 408 CG1 VAL A 24 30.630 28.747 24.002 1.00 0.00 C ATOM 409 CG2 VAL A 24 32.978 29.528 23.996 1.00 0.00 C ATOM 0 H VAL A 24 32.648 28.376 21.701 1.00 0.00 H new ATOM 0 HA VAL A 24 30.359 30.035 21.778 1.00 0.00 H new ATOM 0 HB VAL A 24 31.293 30.822 23.950 1.00 0.00 H new ATOM 0 HG11 VAL A 24 30.747 28.615 25.078 1.00 0.00 H new ATOM 0 HG12 VAL A 24 29.598 29.017 23.780 1.00 0.00 H new ATOM 0 HG13 VAL A 24 30.879 27.816 23.493 1.00 0.00 H new ATOM 0 HG21 VAL A 24 32.975 29.394 25.078 1.00 0.00 H new ATOM 0 HG22 VAL A 24 33.318 28.610 23.517 1.00 0.00 H new ATOM 0 HG23 VAL A 24 33.650 30.345 23.734 1.00 0.00 H new ATOM 419 N GLU A 25 33.182 31.598 21.129 1.00 0.00 N ATOM 420 CA GLU A 25 33.686 32.842 20.530 1.00 0.00 C ATOM 421 C GLU A 25 32.857 33.250 19.299 1.00 0.00 C ATOM 422 O GLU A 25 32.395 34.387 19.211 1.00 0.00 O ATOM 423 CB GLU A 25 35.177 32.685 20.169 1.00 0.00 C ATOM 424 CG GLU A 25 35.785 33.963 19.561 1.00 0.00 C ATOM 425 CD GLU A 25 37.266 33.801 19.159 1.00 0.00 C ATOM 426 OE1 GLU A 25 38.032 33.067 19.828 1.00 0.00 O ATOM 427 OE2 GLU A 25 37.688 34.437 18.161 1.00 0.00 O ATOM 0 H GLU A 25 33.874 30.850 21.166 1.00 0.00 H new ATOM 0 HA GLU A 25 33.586 33.642 21.264 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.736 32.414 21.065 1.00 0.00 H new ATOM 0 HB3 GLU A 25 35.290 31.863 19.462 1.00 0.00 H new ATOM 0 HG2 GLU A 25 35.206 34.250 18.683 1.00 0.00 H new ATOM 0 HG3 GLU A 25 35.698 34.777 20.281 1.00 0.00 H new ATOM 434 N ASN A 26 32.629 32.316 18.368 1.00 0.00 N ATOM 435 CA ASN A 26 31.862 32.566 17.146 1.00 0.00 C ATOM 436 C ASN A 26 30.357 32.796 17.415 1.00 0.00 C ATOM 437 O ASN A 26 29.731 33.619 16.744 1.00 0.00 O ATOM 438 CB ASN A 26 32.102 31.384 16.192 1.00 0.00 C ATOM 439 CG ASN A 26 31.491 31.624 14.821 1.00 0.00 C ATOM 440 OD1 ASN A 26 30.433 31.110 14.484 1.00 0.00 O ATOM 441 ND2 ASN A 26 32.132 32.414 13.988 1.00 0.00 N ATOM 0 H ASN A 26 32.975 31.359 18.444 1.00 0.00 H new ATOM 0 HA ASN A 26 32.207 33.494 16.690 1.00 0.00 H new ATOM 0 HB2 ASN A 26 33.174 31.215 16.087 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.678 30.478 16.624 1.00 0.00 H new ATOM 0 HD21 ASN A 26 31.747 32.598 13.061 1.00 0.00 H new ATOM 0 HD22 ASN A 26 33.014 32.843 14.268 1.00 0.00 H new ATOM 448 N GLU A 27 29.781 32.105 18.399 1.00 0.00 N ATOM 449 CA GLU A 27 28.361 32.211 18.768 1.00 0.00 C ATOM 450 C GLU A 27 28.023 33.537 19.471 1.00 0.00 C ATOM 451 O GLU A 27 27.104 34.247 19.054 1.00 0.00 O ATOM 452 CB GLU A 27 27.987 31.003 19.648 1.00 0.00 C ATOM 453 CG GLU A 27 26.535 30.969 20.163 1.00 0.00 C ATOM 454 CD GLU A 27 25.462 30.710 19.080 1.00 0.00 C ATOM 455 OE1 GLU A 27 25.784 30.571 17.875 1.00 0.00 O ATOM 456 OE2 GLU A 27 24.263 30.627 19.444 1.00 0.00 O ATOM 0 H GLU A 27 30.296 31.441 18.977 1.00 0.00 H new ATOM 0 HA GLU A 27 27.769 32.204 17.853 1.00 0.00 H new ATOM 0 HB2 GLU A 27 28.171 30.092 19.078 1.00 0.00 H new ATOM 0 HB3 GLU A 27 28.657 30.983 20.507 1.00 0.00 H new ATOM 0 HG2 GLU A 27 26.454 30.194 20.925 1.00 0.00 H new ATOM 0 HG3 GLU A 27 26.316 31.919 20.650 1.00 0.00 H new ATOM 463 N PHE A 28 28.749 33.884 20.540 1.00 0.00 N ATOM 464 CA PHE A 28 28.389 35.014 21.403 1.00 0.00 C ATOM 465 C PHE A 28 28.806 36.392 20.863 1.00 0.00 C ATOM 466 O PHE A 28 28.212 37.392 21.276 1.00 0.00 O ATOM 467 CB PHE A 28 28.930 34.778 22.819 1.00 0.00 C ATOM 468 CG PHE A 28 28.119 33.786 23.643 1.00 0.00 C ATOM 469 CD1 PHE A 28 26.912 34.192 24.244 1.00 0.00 C ATOM 470 CD2 PHE A 28 28.573 32.468 23.831 1.00 0.00 C ATOM 471 CE1 PHE A 28 26.184 33.296 25.047 1.00 0.00 C ATOM 472 CE2 PHE A 28 27.840 31.567 24.625 1.00 0.00 C ATOM 473 CZ PHE A 28 26.646 31.982 25.236 1.00 0.00 C ATOM 0 H PHE A 28 29.596 33.394 20.829 1.00 0.00 H new ATOM 0 HA PHE A 28 27.300 35.049 21.424 1.00 0.00 H new ATOM 0 HB2 PHE A 28 29.957 34.419 22.748 1.00 0.00 H new ATOM 0 HB3 PHE A 28 28.961 35.731 23.347 1.00 0.00 H new ATOM 0 HD1 PHE A 28 26.544 35.195 24.088 1.00 0.00 H new ATOM 0 HD2 PHE A 28 29.491 32.145 23.362 1.00 0.00 H new ATOM 0 HE1 PHE A 28 25.268 33.618 25.520 1.00 0.00 H new ATOM 0 HE2 PHE A 28 28.196 30.557 24.764 1.00 0.00 H new ATOM 0 HZ PHE A 28 26.084 31.293 25.850 1.00 0.00 H new ATOM 483 N ARG A 29 29.756 36.482 19.917 1.00 0.00 N ATOM 484 CA ARG A 29 30.285 37.766 19.403 1.00 0.00 C ATOM 485 C ARG A 29 29.232 38.737 18.850 1.00 0.00 C ATOM 486 O ARG A 29 29.469 39.946 18.840 1.00 0.00 O ATOM 487 CB ARG A 29 31.396 37.524 18.361 1.00 0.00 C ATOM 488 CG ARG A 29 30.953 36.746 17.101 1.00 0.00 C ATOM 489 CD ARG A 29 31.291 37.467 15.787 1.00 0.00 C ATOM 490 NE ARG A 29 30.484 38.692 15.592 1.00 0.00 N ATOM 491 CZ ARG A 29 30.635 39.590 14.634 1.00 0.00 C ATOM 492 NH1 ARG A 29 31.548 39.476 13.713 1.00 0.00 N ATOM 493 NH2 ARG A 29 29.858 40.634 14.580 1.00 0.00 N ATOM 0 H ARG A 29 30.184 35.664 19.482 1.00 0.00 H new ATOM 0 HA ARG A 29 30.696 38.265 20.281 1.00 0.00 H new ATOM 0 HB2 ARG A 29 31.799 38.488 18.051 1.00 0.00 H new ATOM 0 HB3 ARG A 29 32.209 36.978 18.839 1.00 0.00 H new ATOM 0 HG2 ARG A 29 31.430 35.766 17.102 1.00 0.00 H new ATOM 0 HG3 ARG A 29 29.877 36.577 17.147 1.00 0.00 H new ATOM 0 HD2 ARG A 29 32.349 37.728 15.781 1.00 0.00 H new ATOM 0 HD3 ARG A 29 31.125 36.789 14.950 1.00 0.00 H new ATOM 0 HE ARG A 29 29.736 38.860 16.265 1.00 0.00 H new ATOM 0 HH11 ARG A 29 32.177 38.673 13.715 1.00 0.00 H new ATOM 0 HH12 ARG A 29 31.634 40.190 12.989 1.00 0.00 H new ATOM 0 HH21 ARG A 29 29.127 40.763 15.280 1.00 0.00 H new ATOM 0 HH22 ARG A 29 29.980 41.323 13.838 1.00 0.00 H new ATOM 507 N LYS A 30 28.080 38.245 18.378 1.00 0.00 N ATOM 508 CA LYS A 30 26.975 39.077 17.858 1.00 0.00 C ATOM 509 C LYS A 30 26.171 39.768 18.980 1.00 0.00 C ATOM 510 O LYS A 30 25.638 40.858 18.765 1.00 0.00 O ATOM 511 CB LYS A 30 26.127 38.247 16.860 1.00 0.00 C ATOM 512 CG LYS A 30 24.843 37.608 17.418 1.00 0.00 C ATOM 513 CD LYS A 30 23.629 38.546 17.276 1.00 0.00 C ATOM 514 CE LYS A 30 22.600 38.298 18.382 1.00 0.00 C ATOM 515 NZ LYS A 30 21.480 39.276 18.307 1.00 0.00 N ATOM 0 H LYS A 30 27.881 37.245 18.344 1.00 0.00 H new ATOM 0 HA LYS A 30 27.387 39.916 17.297 1.00 0.00 H new ATOM 0 HB2 LYS A 30 25.852 38.893 16.026 1.00 0.00 H new ATOM 0 HB3 LYS A 30 26.755 37.454 16.455 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.644 36.674 16.893 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.988 37.358 18.469 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.962 39.583 17.313 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.163 38.395 16.302 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.207 37.285 18.296 1.00 0.00 H new ATOM 0 HE3 LYS A 30 23.085 38.371 19.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.799 39.083 19.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.854 40.241 18.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.004 39.189 17.387 1.00 0.00 H new ATOM 529 N TYR A 31 26.111 39.169 20.171 1.00 0.00 N ATOM 530 CA TYR A 31 25.454 39.721 21.368 1.00 0.00 C ATOM 531 C TYR A 31 26.345 40.706 22.150 1.00 0.00 C ATOM 532 O TYR A 31 25.845 41.496 22.950 1.00 0.00 O ATOM 533 CB TYR A 31 25.021 38.569 22.283 1.00 0.00 C ATOM 534 CG TYR A 31 23.983 37.639 21.685 1.00 0.00 C ATOM 535 CD1 TYR A 31 22.615 37.944 21.819 1.00 0.00 C ATOM 536 CD2 TYR A 31 24.375 36.444 21.049 1.00 0.00 C ATOM 537 CE1 TYR A 31 21.637 37.048 21.341 1.00 0.00 C ATOM 538 CE2 TYR A 31 23.400 35.551 20.559 1.00 0.00 C ATOM 539 CZ TYR A 31 22.027 35.845 20.714 1.00 0.00 C ATOM 540 OH TYR A 31 21.093 34.978 20.242 1.00 0.00 O ATOM 0 H TYR A 31 26.531 38.255 20.339 1.00 0.00 H new ATOM 0 HA TYR A 31 24.588 40.289 21.028 1.00 0.00 H new ATOM 0 HB2 TYR A 31 25.902 37.985 22.550 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.624 38.987 23.208 1.00 0.00 H new ATOM 0 HD1 TYR A 31 22.314 38.868 22.290 1.00 0.00 H new ATOM 0 HD2 TYR A 31 25.424 36.212 20.937 1.00 0.00 H new ATOM 0 HE1 TYR A 31 20.589 37.282 21.455 1.00 0.00 H new ATOM 0 HE2 TYR A 31 23.704 34.640 20.064 1.00 0.00 H new ATOM 0 HH TYR A 31 21.539 34.203 19.840 1.00 0.00 H new ATOM 550 N GLY A 32 27.659 40.679 21.919 1.00 0.00 N ATOM 551 CA GLY A 32 28.630 41.628 22.472 1.00 0.00 C ATOM 552 C GLY A 32 30.065 41.182 22.189 1.00 0.00 C ATOM 553 O GLY A 32 30.326 39.987 22.038 1.00 0.00 O ATOM 0 H GLY A 32 28.092 39.974 21.323 1.00 0.00 H new ATOM 0 HA2 GLY A 32 28.462 42.615 22.042 1.00 0.00 H new ATOM 0 HA3 GLY A 32 28.481 41.719 23.548 1.00 0.00 H new ATOM 557 N ASN A 33 31.005 42.128 22.113 1.00 0.00 N ATOM 558 CA ASN A 33 32.409 41.806 21.847 1.00 0.00 C ATOM 559 C ASN A 33 33.023 41.019 23.025 1.00 0.00 C ATOM 560 O ASN A 33 33.129 41.527 24.147 1.00 0.00 O ATOM 561 CB ASN A 33 33.180 43.092 21.515 1.00 0.00 C ATOM 562 CG ASN A 33 34.627 42.819 21.128 1.00 0.00 C ATOM 563 OD1 ASN A 33 34.954 41.815 20.507 1.00 0.00 O ATOM 564 ND2 ASN A 33 35.541 43.695 21.479 1.00 0.00 N ATOM 0 H ASN A 33 30.819 43.124 22.232 1.00 0.00 H new ATOM 0 HA ASN A 33 32.479 41.152 20.978 1.00 0.00 H new ATOM 0 HB2 ASN A 33 32.680 43.611 20.697 1.00 0.00 H new ATOM 0 HB3 ASN A 33 33.157 43.759 22.377 1.00 0.00 H new ATOM 0 HD21 ASN A 33 36.519 43.538 21.234 1.00 0.00 H new ATOM 0 HD22 ASN A 33 35.273 44.532 21.996 1.00 0.00 H new ATOM 571 N ILE A 34 33.399 39.768 22.761 1.00 0.00 N ATOM 572 CA ILE A 34 33.964 38.824 23.731 1.00 0.00 C ATOM 573 C ILE A 34 35.450 39.118 23.997 1.00 0.00 C ATOM 574 O ILE A 34 36.219 39.357 23.062 1.00 0.00 O ATOM 575 CB ILE A 34 33.656 37.359 23.311 1.00 0.00 C ATOM 576 CG1 ILE A 34 34.407 36.282 24.133 1.00 0.00 C ATOM 577 CG2 ILE A 34 33.790 37.092 21.798 1.00 0.00 C ATOM 578 CD1 ILE A 34 35.813 35.893 23.644 1.00 0.00 C ATOM 0 H ILE A 34 33.316 39.366 21.827 1.00 0.00 H new ATOM 0 HA ILE A 34 33.477 38.961 24.696 1.00 0.00 H new ATOM 0 HB ILE A 34 32.599 37.258 23.558 1.00 0.00 H new ATOM 0 HG12 ILE A 34 34.490 36.636 25.161 1.00 0.00 H new ATOM 0 HG13 ILE A 34 33.793 35.381 24.154 1.00 0.00 H new ATOM 0 HG21 ILE A 34 33.558 36.047 21.591 1.00 0.00 H new ATOM 0 HG22 ILE A 34 33.097 37.733 21.253 1.00 0.00 H new ATOM 0 HG23 ILE A 34 34.810 37.307 21.479 1.00 0.00 H new ATOM 0 HD11 ILE A 34 36.230 35.132 24.304 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.749 35.499 22.630 1.00 0.00 H new ATOM 0 HD13 ILE A 34 36.457 36.772 23.652 1.00 0.00 H new ATOM 590 N LEU A 35 35.860 39.084 25.271 1.00 0.00 N ATOM 591 CA LEU A 35 37.260 39.245 25.695 1.00 0.00 C ATOM 592 C LEU A 35 37.977 37.899 25.929 1.00 0.00 C ATOM 593 O LEU A 35 39.127 37.735 25.523 1.00 0.00 O ATOM 594 CB LEU A 35 37.340 40.122 26.957 1.00 0.00 C ATOM 595 CG LEU A 35 36.865 41.572 26.733 1.00 0.00 C ATOM 596 CD1 LEU A 35 35.441 41.780 27.239 1.00 0.00 C ATOM 597 CD2 LEU A 35 37.763 42.567 27.467 1.00 0.00 C ATOM 0 H LEU A 35 35.218 38.941 26.051 1.00 0.00 H new ATOM 0 HA LEU A 35 37.781 39.739 24.875 1.00 0.00 H new ATOM 0 HB2 LEU A 35 36.737 39.668 27.743 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.370 40.137 27.314 1.00 0.00 H new ATOM 0 HG LEU A 35 36.908 41.744 25.657 1.00 0.00 H new ATOM 0 HD11 LEU A 35 35.140 42.813 27.065 1.00 0.00 H new ATOM 0 HD12 LEU A 35 34.765 41.110 26.708 1.00 0.00 H new ATOM 0 HD13 LEU A 35 35.399 41.565 28.307 1.00 0.00 H new ATOM 0 HD21 LEU A 35 37.403 43.581 27.290 1.00 0.00 H new ATOM 0 HD22 LEU A 35 37.742 42.356 28.536 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.785 42.475 27.099 1.00 0.00 H new ATOM 609 N LYS A 36 37.291 36.937 26.566 1.00 0.00 N ATOM 610 CA LYS A 36 37.784 35.584 26.883 1.00 0.00 C ATOM 611 C LYS A 36 36.610 34.619 27.060 1.00 0.00 C ATOM 612 O LYS A 36 35.573 35.007 27.604 1.00 0.00 O ATOM 613 CB LYS A 36 38.667 35.658 28.148 1.00 0.00 C ATOM 614 CG LYS A 36 39.253 34.308 28.594 1.00 0.00 C ATOM 615 CD LYS A 36 40.351 34.529 29.649 1.00 0.00 C ATOM 616 CE LYS A 36 40.789 33.255 30.379 1.00 0.00 C ATOM 617 NZ LYS A 36 41.380 32.224 29.486 1.00 0.00 N ATOM 0 H LYS A 36 36.335 37.086 26.889 1.00 0.00 H new ATOM 0 HA LYS A 36 38.389 35.202 26.061 1.00 0.00 H new ATOM 0 HB2 LYS A 36 39.486 36.353 27.964 1.00 0.00 H new ATOM 0 HB3 LYS A 36 38.076 36.071 28.965 1.00 0.00 H new ATOM 0 HG2 LYS A 36 38.464 33.679 29.006 1.00 0.00 H new ATOM 0 HG3 LYS A 36 39.665 33.780 27.734 1.00 0.00 H new ATOM 0 HD2 LYS A 36 41.220 34.973 29.164 1.00 0.00 H new ATOM 0 HD3 LYS A 36 39.993 35.250 30.384 1.00 0.00 H new ATOM 0 HE2 LYS A 36 41.518 33.519 31.145 1.00 0.00 H new ATOM 0 HE3 LYS A 36 39.928 32.827 30.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 42.041 31.633 30.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 40.623 31.628 29.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 41.890 32.689 28.708 1.00 0.00 H new ATOM 631 N CYS A 37 36.754 33.375 26.609 1.00 0.00 N ATOM 632 CA CYS A 37 35.730 32.340 26.740 1.00 0.00 C ATOM 633 C CYS A 37 36.347 30.930 26.782 1.00 0.00 C ATOM 634 O CYS A 37 37.137 30.546 25.920 1.00 0.00 O ATOM 635 CB CYS A 37 34.682 32.501 25.626 1.00 0.00 C ATOM 636 SG CYS A 37 35.421 32.431 23.967 1.00 0.00 S ATOM 0 H CYS A 37 37.598 33.052 26.135 1.00 0.00 H new ATOM 0 HA CYS A 37 35.220 32.465 27.695 1.00 0.00 H new ATOM 0 HB2 CYS A 37 33.932 31.716 25.720 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.165 33.453 25.751 1.00 0.00 H new ATOM 0 HG CYS A 37 36.442 31.626 23.980 1.00 0.00 H new ATOM 642 N ASP A 38 35.984 30.159 27.810 1.00 0.00 N ATOM 643 CA ASP A 38 36.535 28.830 28.125 1.00 0.00 C ATOM 644 C ASP A 38 35.537 28.000 28.960 1.00 0.00 C ATOM 645 O ASP A 38 34.561 28.533 29.499 1.00 0.00 O ATOM 646 CB ASP A 38 37.875 28.963 28.877 1.00 0.00 C ATOM 647 CG ASP A 38 39.022 29.551 28.042 1.00 0.00 C ATOM 648 OD1 ASP A 38 39.584 28.811 27.196 1.00 0.00 O ATOM 649 OD2 ASP A 38 39.395 30.730 28.263 1.00 0.00 O ATOM 0 H ASP A 38 35.269 30.452 28.476 1.00 0.00 H new ATOM 0 HA ASP A 38 36.711 28.309 27.184 1.00 0.00 H new ATOM 0 HB2 ASP A 38 37.723 29.591 29.755 1.00 0.00 H new ATOM 0 HB3 ASP A 38 38.173 27.979 29.238 1.00 0.00 H new ATOM 654 N VAL A 39 35.786 26.689 29.079 1.00 0.00 N ATOM 655 CA VAL A 39 34.890 25.723 29.740 1.00 0.00 C ATOM 656 C VAL A 39 35.639 24.906 30.801 1.00 0.00 C ATOM 657 O VAL A 39 36.672 24.295 30.508 1.00 0.00 O ATOM 658 CB VAL A 39 34.199 24.809 28.704 1.00 0.00 C ATOM 659 CG1 VAL A 39 33.145 23.899 29.347 1.00 0.00 C ATOM 660 CG2 VAL A 39 33.504 25.625 27.603 1.00 0.00 C ATOM 0 H VAL A 39 36.634 26.258 28.711 1.00 0.00 H new ATOM 0 HA VAL A 39 34.111 26.286 30.254 1.00 0.00 H new ATOM 0 HB VAL A 39 34.995 24.200 28.275 1.00 0.00 H new ATOM 0 HG11 VAL A 39 32.686 23.275 28.580 1.00 0.00 H new ATOM 0 HG12 VAL A 39 33.620 23.264 30.095 1.00 0.00 H new ATOM 0 HG13 VAL A 39 32.379 24.510 29.824 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.029 24.948 26.893 1.00 0.00 H new ATOM 0 HG22 VAL A 39 32.748 26.270 28.051 1.00 0.00 H new ATOM 0 HG23 VAL A 39 34.241 26.237 27.083 1.00 0.00 H new ATOM 670 N LYS A 40 35.113 24.887 32.030 1.00 0.00 N ATOM 671 CA LYS A 40 35.614 24.106 33.181 1.00 0.00 C ATOM 672 C LYS A 40 34.777 22.833 33.390 1.00 0.00 C ATOM 673 O LYS A 40 33.701 22.694 32.806 1.00 0.00 O ATOM 674 CB LYS A 40 35.615 24.978 34.455 1.00 0.00 C ATOM 675 CG LYS A 40 36.395 26.307 34.324 1.00 0.00 C ATOM 676 CD LYS A 40 35.498 27.547 34.504 1.00 0.00 C ATOM 677 CE LYS A 40 35.400 28.110 35.936 1.00 0.00 C ATOM 678 NZ LYS A 40 35.154 27.078 36.980 1.00 0.00 N ATOM 0 H LYS A 40 34.288 25.439 32.267 1.00 0.00 H new ATOM 0 HA LYS A 40 36.638 23.798 32.969 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.584 25.202 34.727 1.00 0.00 H new ATOM 0 HB3 LYS A 40 36.042 24.400 35.275 1.00 0.00 H new ATOM 0 HG2 LYS A 40 37.192 26.330 35.067 1.00 0.00 H new ATOM 0 HG3 LYS A 40 36.871 26.348 33.345 1.00 0.00 H new ATOM 0 HD2 LYS A 40 35.868 28.336 33.849 1.00 0.00 H new ATOM 0 HD3 LYS A 40 34.493 27.296 34.164 1.00 0.00 H new ATOM 0 HE2 LYS A 40 36.325 28.636 36.172 1.00 0.00 H new ATOM 0 HE3 LYS A 40 34.596 28.846 35.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 34.602 27.495 37.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.624 26.285 36.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 36.063 26.733 37.348 1.00 0.00 H new ATOM 692 N LYS A 41 35.229 21.931 34.267 1.00 0.00 N ATOM 693 CA LYS A 41 34.443 20.783 34.768 1.00 0.00 C ATOM 694 C LYS A 41 34.746 20.449 36.233 1.00 0.00 C ATOM 695 O LYS A 41 35.854 20.704 36.709 1.00 0.00 O ATOM 696 CB LYS A 41 34.567 19.556 33.835 1.00 0.00 C ATOM 697 CG LYS A 41 35.839 18.693 33.968 1.00 0.00 C ATOM 698 CD LYS A 41 37.173 19.370 33.612 1.00 0.00 C ATOM 699 CE LYS A 41 37.212 19.840 32.154 1.00 0.00 C ATOM 700 NZ LYS A 41 38.554 20.364 31.783 1.00 0.00 N ATOM 0 H LYS A 41 36.169 21.973 34.660 1.00 0.00 H new ATOM 0 HA LYS A 41 33.396 21.087 34.750 1.00 0.00 H new ATOM 0 HB2 LYS A 41 33.704 18.913 34.006 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.504 19.907 32.805 1.00 0.00 H new ATOM 0 HG2 LYS A 41 35.902 18.336 34.996 1.00 0.00 H new ATOM 0 HG3 LYS A 41 35.723 17.815 33.332 1.00 0.00 H new ATOM 0 HD2 LYS A 41 37.333 20.223 34.271 1.00 0.00 H new ATOM 0 HD3 LYS A 41 37.991 18.672 33.789 1.00 0.00 H new ATOM 0 HE2 LYS A 41 36.950 19.011 31.497 1.00 0.00 H new ATOM 0 HE3 LYS A 41 36.463 20.617 32.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 38.544 20.673 30.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 38.793 21.171 32.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 39.265 19.615 31.905 1.00 0.00 H new ATOM 714 N THR A 42 33.767 19.881 36.940 1.00 0.00 N ATOM 715 CA THR A 42 33.900 19.404 38.332 1.00 0.00 C ATOM 716 C THR A 42 34.174 17.894 38.403 1.00 0.00 C ATOM 717 O THR A 42 33.911 17.155 37.449 1.00 0.00 O ATOM 718 CB THR A 42 32.680 19.808 39.180 1.00 0.00 C ATOM 719 OG1 THR A 42 32.890 19.461 40.529 1.00 0.00 O ATOM 720 CG2 THR A 42 31.377 19.129 38.750 1.00 0.00 C ATOM 0 H THR A 42 32.833 19.733 36.557 1.00 0.00 H new ATOM 0 HA THR A 42 34.773 19.897 38.760 1.00 0.00 H new ATOM 0 HB THR A 42 32.578 20.884 39.038 1.00 0.00 H new ATOM 0 HG1 THR A 42 32.109 19.724 41.060 1.00 0.00 H new ATOM 0 HG21 THR A 42 30.563 19.463 39.393 1.00 0.00 H new ATOM 0 HG22 THR A 42 31.154 19.392 37.716 1.00 0.00 H new ATOM 0 HG23 THR A 42 31.485 18.048 38.834 1.00 0.00 H new ATOM 728 N VAL A 43 34.662 17.410 39.549 1.00 0.00 N ATOM 729 CA VAL A 43 34.887 15.977 39.836 1.00 0.00 C ATOM 730 C VAL A 43 33.594 15.144 39.801 1.00 0.00 C ATOM 731 O VAL A 43 33.644 13.945 39.521 1.00 0.00 O ATOM 732 CB VAL A 43 35.612 15.781 41.183 1.00 0.00 C ATOM 733 CG1 VAL A 43 37.008 16.420 41.154 1.00 0.00 C ATOM 734 CG2 VAL A 43 34.838 16.336 42.388 1.00 0.00 C ATOM 0 H VAL A 43 34.921 18.015 40.328 1.00 0.00 H new ATOM 0 HA VAL A 43 35.526 15.609 39.033 1.00 0.00 H new ATOM 0 HB VAL A 43 35.689 14.701 41.312 1.00 0.00 H new ATOM 0 HG11 VAL A 43 37.498 16.268 42.116 1.00 0.00 H new ATOM 0 HG12 VAL A 43 37.603 15.958 40.366 1.00 0.00 H new ATOM 0 HG13 VAL A 43 36.915 17.488 40.959 1.00 0.00 H new ATOM 0 HG21 VAL A 43 35.410 16.162 43.299 1.00 0.00 H new ATOM 0 HG22 VAL A 43 34.681 17.407 42.258 1.00 0.00 H new ATOM 0 HG23 VAL A 43 33.873 15.834 42.463 1.00 0.00 H new ATOM 744 N SER A 44 32.430 15.773 40.013 1.00 0.00 N ATOM 745 CA SER A 44 31.094 15.168 39.837 1.00 0.00 C ATOM 746 C SER A 44 30.669 15.000 38.361 1.00 0.00 C ATOM 747 O SER A 44 29.588 14.472 38.088 1.00 0.00 O ATOM 748 CB SER A 44 30.035 15.978 40.600 1.00 0.00 C ATOM 749 OG SER A 44 30.407 16.146 41.960 1.00 0.00 O ATOM 0 H SER A 44 32.386 16.745 40.321 1.00 0.00 H new ATOM 0 HA SER A 44 31.167 14.162 40.249 1.00 0.00 H new ATOM 0 HB2 SER A 44 29.910 16.954 40.130 1.00 0.00 H new ATOM 0 HB3 SER A 44 29.072 15.470 40.542 1.00 0.00 H new ATOM 0 HG SER A 44 29.719 16.666 42.426 1.00 0.00 H new ATOM 755 N GLY A 45 31.497 15.435 37.399 1.00 0.00 N ATOM 756 CA GLY A 45 31.335 15.199 35.956 1.00 0.00 C ATOM 757 C GLY A 45 30.596 16.289 35.165 1.00 0.00 C ATOM 758 O GLY A 45 30.594 16.242 33.932 1.00 0.00 O ATOM 0 H GLY A 45 32.331 15.982 37.613 1.00 0.00 H new ATOM 0 HA2 GLY A 45 32.325 15.070 35.518 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.802 14.258 35.821 1.00 0.00 H new ATOM 762 N ALA A 46 29.988 17.281 35.829 1.00 0.00 N ATOM 763 CA ALA A 46 29.326 18.411 35.167 1.00 0.00 C ATOM 764 C ALA A 46 30.332 19.406 34.550 1.00 0.00 C ATOM 765 O ALA A 46 31.381 19.683 35.138 1.00 0.00 O ATOM 766 CB ALA A 46 28.391 19.097 36.166 1.00 0.00 C ATOM 0 H ALA A 46 29.942 17.321 36.847 1.00 0.00 H new ATOM 0 HA ALA A 46 28.742 18.028 34.331 1.00 0.00 H new ATOM 0 HB1 ALA A 46 27.895 19.938 35.682 1.00 0.00 H new ATOM 0 HB2 ALA A 46 27.642 18.384 36.512 1.00 0.00 H new ATOM 0 HB3 ALA A 46 28.969 19.458 37.017 1.00 0.00 H new ATOM 772 N ALA A 47 29.991 19.963 33.383 1.00 0.00 N ATOM 773 CA ALA A 47 30.755 21.006 32.688 1.00 0.00 C ATOM 774 C ALA A 47 30.110 22.401 32.848 1.00 0.00 C ATOM 775 O ALA A 47 28.886 22.514 32.977 1.00 0.00 O ATOM 776 CB ALA A 47 30.897 20.612 31.213 1.00 0.00 C ATOM 0 H ALA A 47 29.147 19.691 32.879 1.00 0.00 H new ATOM 0 HA ALA A 47 31.745 21.082 33.139 1.00 0.00 H new ATOM 0 HB1 ALA A 47 31.463 21.379 30.684 1.00 0.00 H new ATOM 0 HB2 ALA A 47 31.421 19.659 31.140 1.00 0.00 H new ATOM 0 HB3 ALA A 47 29.908 20.518 30.765 1.00 0.00 H new ATOM 782 N PHE A 48 30.933 23.455 32.795 1.00 0.00 N ATOM 783 CA PHE A 48 30.531 24.850 33.022 1.00 0.00 C ATOM 784 C PHE A 48 31.233 25.809 32.049 1.00 0.00 C ATOM 785 O PHE A 48 32.459 25.943 32.097 1.00 0.00 O ATOM 786 CB PHE A 48 30.843 25.264 34.471 1.00 0.00 C ATOM 787 CG PHE A 48 30.365 24.304 35.538 1.00 0.00 C ATOM 788 CD1 PHE A 48 29.081 24.435 36.090 1.00 0.00 C ATOM 789 CD2 PHE A 48 31.211 23.269 35.978 1.00 0.00 C ATOM 790 CE1 PHE A 48 28.629 23.526 37.061 1.00 0.00 C ATOM 791 CE2 PHE A 48 30.763 22.365 36.950 1.00 0.00 C ATOM 792 CZ PHE A 48 29.473 22.486 37.492 1.00 0.00 C ATOM 0 H PHE A 48 31.927 23.359 32.587 1.00 0.00 H new ATOM 0 HA PHE A 48 29.457 24.914 32.845 1.00 0.00 H new ATOM 0 HB2 PHE A 48 31.922 25.385 34.572 1.00 0.00 H new ATOM 0 HB3 PHE A 48 30.394 26.240 34.657 1.00 0.00 H new ATOM 0 HD1 PHE A 48 28.437 25.239 35.766 1.00 0.00 H new ATOM 0 HD2 PHE A 48 32.205 23.172 35.567 1.00 0.00 H new ATOM 0 HE1 PHE A 48 27.637 23.625 37.475 1.00 0.00 H new ATOM 0 HE2 PHE A 48 31.413 21.570 37.284 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.130 21.783 38.237 1.00 0.00 H new ATOM 802 N ALA A 49 30.483 26.495 31.185 1.00 0.00 N ATOM 803 CA ALA A 49 31.031 27.495 30.261 1.00 0.00 C ATOM 804 C ALA A 49 30.937 28.917 30.834 1.00 0.00 C ATOM 805 O ALA A 49 29.926 29.294 31.438 1.00 0.00 O ATOM 806 CB ALA A 49 30.354 27.389 28.890 1.00 0.00 C ATOM 0 H ALA A 49 29.473 26.374 31.104 1.00 0.00 H new ATOM 0 HA ALA A 49 32.092 27.283 30.130 1.00 0.00 H new ATOM 0 HB1 ALA A 49 30.773 28.138 28.218 1.00 0.00 H new ATOM 0 HB2 ALA A 49 30.524 26.395 28.476 1.00 0.00 H new ATOM 0 HB3 ALA A 49 29.283 27.558 28.999 1.00 0.00 H new ATOM 812 N PHE A 50 31.982 29.710 30.592 1.00 0.00 N ATOM 813 CA PHE A 50 32.095 31.113 30.995 1.00 0.00 C ATOM 814 C PHE A 50 32.560 31.962 29.801 1.00 0.00 C ATOM 815 O PHE A 50 33.512 31.591 29.109 1.00 0.00 O ATOM 816 CB PHE A 50 33.068 31.247 32.175 1.00 0.00 C ATOM 817 CG PHE A 50 32.604 30.717 33.522 1.00 0.00 C ATOM 818 CD1 PHE A 50 32.551 29.332 33.775 1.00 0.00 C ATOM 819 CD2 PHE A 50 32.303 31.619 34.563 1.00 0.00 C ATOM 820 CE1 PHE A 50 32.201 28.856 35.050 1.00 0.00 C ATOM 821 CE2 PHE A 50 31.974 31.144 35.842 1.00 0.00 C ATOM 822 CZ PHE A 50 31.927 29.762 36.090 1.00 0.00 C ATOM 0 H PHE A 50 32.806 29.379 30.090 1.00 0.00 H new ATOM 0 HA PHE A 50 31.119 31.475 31.317 1.00 0.00 H new ATOM 0 HB2 PHE A 50 33.992 30.734 31.910 1.00 0.00 H new ATOM 0 HB3 PHE A 50 33.312 32.303 32.293 1.00 0.00 H new ATOM 0 HD1 PHE A 50 32.781 28.632 32.985 1.00 0.00 H new ATOM 0 HD2 PHE A 50 32.326 32.682 34.375 1.00 0.00 H new ATOM 0 HE1 PHE A 50 32.142 27.793 35.231 1.00 0.00 H new ATOM 0 HE2 PHE A 50 31.757 31.842 36.637 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.681 29.397 37.076 1.00 0.00 H new ATOM 832 N ILE A 51 31.901 33.102 29.564 1.00 0.00 N ATOM 833 CA ILE A 51 32.116 33.979 28.394 1.00 0.00 C ATOM 834 C ILE A 51 32.096 35.446 28.850 1.00 0.00 C ATOM 835 O ILE A 51 31.081 35.901 29.368 1.00 0.00 O ATOM 836 CB ILE A 51 31.033 33.727 27.309 1.00 0.00 C ATOM 837 CG1 ILE A 51 30.930 32.251 26.850 1.00 0.00 C ATOM 838 CG2 ILE A 51 31.292 34.605 26.072 1.00 0.00 C ATOM 839 CD1 ILE A 51 29.845 31.452 27.588 1.00 0.00 C ATOM 0 H ILE A 51 31.182 33.455 30.195 1.00 0.00 H new ATOM 0 HA ILE A 51 33.086 33.753 27.952 1.00 0.00 H new ATOM 0 HB ILE A 51 30.087 33.987 27.785 1.00 0.00 H new ATOM 0 HG12 ILE A 51 30.724 32.225 25.780 1.00 0.00 H new ATOM 0 HG13 ILE A 51 31.894 31.764 27.001 1.00 0.00 H new ATOM 0 HG21 ILE A 51 30.523 34.414 25.323 1.00 0.00 H new ATOM 0 HG22 ILE A 51 31.266 35.656 26.360 1.00 0.00 H new ATOM 0 HG23 ILE A 51 32.271 34.367 25.656 1.00 0.00 H new ATOM 0 HD11 ILE A 51 29.830 30.428 27.215 1.00 0.00 H new ATOM 0 HD12 ILE A 51 30.061 31.446 28.656 1.00 0.00 H new ATOM 0 HD13 ILE A 51 28.873 31.914 27.417 1.00 0.00 H new ATOM 851 N GLU A 52 33.202 36.177 28.688 1.00 0.00 N ATOM 852 CA GLU A 52 33.409 37.543 29.201 1.00 0.00 C ATOM 853 C GLU A 52 33.127 38.643 28.158 1.00 0.00 C ATOM 854 O GLU A 52 33.566 38.530 27.012 1.00 0.00 O ATOM 855 CB GLU A 52 34.843 37.631 29.752 1.00 0.00 C ATOM 856 CG GLU A 52 35.142 38.943 30.481 1.00 0.00 C ATOM 857 CD GLU A 52 36.539 38.907 31.121 1.00 0.00 C ATOM 858 OE1 GLU A 52 36.667 38.332 32.229 1.00 0.00 O ATOM 859 OE2 GLU A 52 37.501 39.454 30.534 1.00 0.00 O ATOM 0 H GLU A 52 34.011 35.824 28.177 1.00 0.00 H new ATOM 0 HA GLU A 52 32.685 37.729 29.994 1.00 0.00 H new ATOM 0 HB2 GLU A 52 35.012 36.799 30.436 1.00 0.00 H new ATOM 0 HB3 GLU A 52 35.547 37.515 28.928 1.00 0.00 H new ATOM 0 HG2 GLU A 52 35.080 39.776 29.780 1.00 0.00 H new ATOM 0 HG3 GLU A 52 34.389 39.116 31.250 1.00 0.00 H new ATOM 866 N PHE A 53 32.440 39.729 28.556 1.00 0.00 N ATOM 867 CA PHE A 53 31.913 40.787 27.673 1.00 0.00 C ATOM 868 C PHE A 53 32.248 42.219 28.128 1.00 0.00 C ATOM 869 O PHE A 53 32.454 42.489 29.312 1.00 0.00 O ATOM 870 CB PHE A 53 30.385 40.672 27.583 1.00 0.00 C ATOM 871 CG PHE A 53 29.864 39.391 26.976 1.00 0.00 C ATOM 872 CD1 PHE A 53 29.645 39.306 25.587 1.00 0.00 C ATOM 873 CD2 PHE A 53 29.559 38.300 27.805 1.00 0.00 C ATOM 874 CE1 PHE A 53 29.098 38.136 25.030 1.00 0.00 C ATOM 875 CE2 PHE A 53 29.033 37.126 27.245 1.00 0.00 C ATOM 876 CZ PHE A 53 28.789 37.050 25.866 1.00 0.00 C ATOM 0 H PHE A 53 32.228 39.901 29.539 1.00 0.00 H new ATOM 0 HA PHE A 53 32.398 40.628 26.710 1.00 0.00 H new ATOM 0 HB2 PHE A 53 29.971 40.773 28.586 1.00 0.00 H new ATOM 0 HB3 PHE A 53 30.009 41.511 26.997 1.00 0.00 H new ATOM 0 HD1 PHE A 53 29.897 40.140 24.949 1.00 0.00 H new ATOM 0 HD2 PHE A 53 29.729 38.364 28.870 1.00 0.00 H new ATOM 0 HE1 PHE A 53 28.917 38.073 23.967 1.00 0.00 H new ATOM 0 HE2 PHE A 53 28.815 36.278 27.878 1.00 0.00 H new ATOM 0 HZ PHE A 53 28.361 36.152 25.445 1.00 0.00 H new ATOM 886 N GLU A 54 32.227 43.159 27.174 1.00 0.00 N ATOM 887 CA GLU A 54 32.404 44.605 27.411 1.00 0.00 C ATOM 888 C GLU A 54 31.100 45.391 27.692 1.00 0.00 C ATOM 889 O GLU A 54 31.171 46.546 28.110 1.00 0.00 O ATOM 890 CB GLU A 54 33.235 45.224 26.270 1.00 0.00 C ATOM 891 CG GLU A 54 32.644 45.117 24.853 1.00 0.00 C ATOM 892 CD GLU A 54 31.680 46.251 24.469 1.00 0.00 C ATOM 893 OE1 GLU A 54 31.966 47.446 24.709 1.00 0.00 O ATOM 894 OE2 GLU A 54 30.629 45.978 23.842 1.00 0.00 O ATOM 0 H GLU A 54 32.083 42.933 26.190 1.00 0.00 H new ATOM 0 HA GLU A 54 32.955 44.697 28.347 1.00 0.00 H new ATOM 0 HB2 GLU A 54 33.391 46.279 26.496 1.00 0.00 H new ATOM 0 HB3 GLU A 54 34.216 44.750 26.267 1.00 0.00 H new ATOM 0 HG2 GLU A 54 33.463 45.096 24.134 1.00 0.00 H new ATOM 0 HG3 GLU A 54 32.118 44.166 24.765 1.00 0.00 H new ATOM 901 N ASP A 55 29.913 44.784 27.524 1.00 0.00 N ATOM 902 CA ASP A 55 28.608 45.359 27.912 1.00 0.00 C ATOM 903 C ASP A 55 27.622 44.283 28.410 1.00 0.00 C ATOM 904 O ASP A 55 27.260 43.358 27.677 1.00 0.00 O ATOM 905 CB ASP A 55 27.973 46.155 26.753 1.00 0.00 C ATOM 906 CG ASP A 55 28.347 47.648 26.733 1.00 0.00 C ATOM 907 OD1 ASP A 55 28.319 48.305 27.800 1.00 0.00 O ATOM 908 OD2 ASP A 55 28.580 48.193 25.627 1.00 0.00 O ATOM 0 H ASP A 55 29.829 43.858 27.105 1.00 0.00 H new ATOM 0 HA ASP A 55 28.809 46.041 28.738 1.00 0.00 H new ATOM 0 HB2 ASP A 55 28.276 45.703 25.808 1.00 0.00 H new ATOM 0 HB3 ASP A 55 26.889 46.064 26.816 1.00 0.00 H new ATOM 913 N ALA A 56 27.150 44.443 29.648 1.00 0.00 N ATOM 914 CA ALA A 56 26.238 43.516 30.324 1.00 0.00 C ATOM 915 C ALA A 56 24.843 43.458 29.672 1.00 0.00 C ATOM 916 O ALA A 56 24.384 42.390 29.269 1.00 0.00 O ATOM 917 CB ALA A 56 26.165 43.933 31.799 1.00 0.00 C ATOM 0 H ALA A 56 27.399 45.246 30.226 1.00 0.00 H new ATOM 0 HA ALA A 56 26.625 42.501 30.234 1.00 0.00 H new ATOM 0 HB1 ALA A 56 25.493 43.262 32.334 1.00 0.00 H new ATOM 0 HB2 ALA A 56 27.159 43.879 32.242 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.791 44.954 31.870 1.00 0.00 H new ATOM 923 N ARG A 57 24.171 44.611 29.515 1.00 0.00 N ATOM 924 CA ARG A 57 22.794 44.667 28.977 1.00 0.00 C ATOM 925 C ARG A 57 22.668 44.308 27.490 1.00 0.00 C ATOM 926 O ARG A 57 21.567 44.026 27.025 1.00 0.00 O ATOM 927 CB ARG A 57 22.106 45.999 29.340 1.00 0.00 C ATOM 928 CG ARG A 57 22.398 47.226 28.456 1.00 0.00 C ATOM 929 CD ARG A 57 23.866 47.671 28.453 1.00 0.00 C ATOM 930 NE ARG A 57 24.018 49.019 27.871 1.00 0.00 N ATOM 931 CZ ARG A 57 24.075 49.353 26.593 1.00 0.00 C ATOM 932 NH1 ARG A 57 24.001 48.471 25.634 1.00 0.00 N ATOM 933 NH2 ARG A 57 24.197 50.601 26.248 1.00 0.00 N ATOM 0 H ARG A 57 24.559 45.524 29.754 1.00 0.00 H new ATOM 0 HA ARG A 57 22.249 43.866 29.477 1.00 0.00 H new ATOM 0 HB2 ARG A 57 21.029 45.831 29.334 1.00 0.00 H new ATOM 0 HB3 ARG A 57 22.384 46.251 30.364 1.00 0.00 H new ATOM 0 HG2 ARG A 57 22.097 47.001 27.433 1.00 0.00 H new ATOM 0 HG3 ARG A 57 21.780 48.058 28.794 1.00 0.00 H new ATOM 0 HD2 ARG A 57 24.251 47.668 29.473 1.00 0.00 H new ATOM 0 HD3 ARG A 57 24.463 46.958 27.884 1.00 0.00 H new ATOM 0 HE ARG A 57 24.088 49.788 28.537 1.00 0.00 H new ATOM 0 HH11 ARG A 57 23.895 47.482 25.858 1.00 0.00 H new ATOM 0 HH12 ARG A 57 24.049 48.771 24.660 1.00 0.00 H new ATOM 0 HH21 ARG A 57 24.249 51.325 26.964 1.00 0.00 H new ATOM 0 HH22 ARG A 57 24.241 50.855 25.261 1.00 0.00 H new ATOM 947 N ASP A 58 23.782 44.289 26.753 1.00 0.00 N ATOM 948 CA ASP A 58 23.842 43.760 25.384 1.00 0.00 C ATOM 949 C ASP A 58 23.941 42.218 25.396 1.00 0.00 C ATOM 950 O ASP A 58 23.120 41.529 24.789 1.00 0.00 O ATOM 951 CB ASP A 58 25.018 44.421 24.639 1.00 0.00 C ATOM 952 CG ASP A 58 24.881 44.447 23.104 1.00 0.00 C ATOM 953 OD1 ASP A 58 23.786 44.169 22.556 1.00 0.00 O ATOM 954 OD2 ASP A 58 25.867 44.844 22.434 1.00 0.00 O ATOM 0 H ASP A 58 24.677 44.643 27.091 1.00 0.00 H new ATOM 0 HA ASP A 58 22.923 44.004 24.851 1.00 0.00 H new ATOM 0 HB2 ASP A 58 25.126 45.445 24.997 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.936 43.894 24.898 1.00 0.00 H new ATOM 959 N ALA A 59 24.871 41.667 26.192 1.00 0.00 N ATOM 960 CA ALA A 59 25.042 40.222 26.387 1.00 0.00 C ATOM 961 C ALA A 59 23.808 39.537 27.018 1.00 0.00 C ATOM 962 O ALA A 59 23.552 38.358 26.759 1.00 0.00 O ATOM 963 CB ALA A 59 26.293 40.006 27.245 1.00 0.00 C ATOM 0 H ALA A 59 25.536 42.225 26.727 1.00 0.00 H new ATOM 0 HA ALA A 59 25.157 39.754 25.409 1.00 0.00 H new ATOM 0 HB1 ALA A 59 26.444 38.939 27.406 1.00 0.00 H new ATOM 0 HB2 ALA A 59 27.161 40.422 26.734 1.00 0.00 H new ATOM 0 HB3 ALA A 59 26.165 40.503 28.207 1.00 0.00 H new ATOM 969 N ALA A 60 23.010 40.274 27.799 1.00 0.00 N ATOM 970 CA ALA A 60 21.763 39.796 28.401 1.00 0.00 C ATOM 971 C ALA A 60 20.762 39.221 27.376 1.00 0.00 C ATOM 972 O ALA A 60 20.023 38.290 27.702 1.00 0.00 O ATOM 973 CB ALA A 60 21.125 40.955 29.176 1.00 0.00 C ATOM 0 H ALA A 60 23.220 41.244 28.035 1.00 0.00 H new ATOM 0 HA ALA A 60 22.012 38.968 29.065 1.00 0.00 H new ATOM 0 HB1 ALA A 60 20.194 40.619 29.632 1.00 0.00 H new ATOM 0 HB2 ALA A 60 21.809 41.293 29.954 1.00 0.00 H new ATOM 0 HB3 ALA A 60 20.917 41.779 28.493 1.00 0.00 H new ATOM 979 N ASP A 61 20.766 39.710 26.131 1.00 0.00 N ATOM 980 CA ASP A 61 19.898 39.196 25.059 1.00 0.00 C ATOM 981 C ASP A 61 20.216 37.743 24.655 1.00 0.00 C ATOM 982 O ASP A 61 19.329 37.060 24.138 1.00 0.00 O ATOM 983 CB ASP A 61 19.943 40.126 23.834 1.00 0.00 C ATOM 984 CG ASP A 61 19.240 41.484 24.024 1.00 0.00 C ATOM 985 OD1 ASP A 61 18.485 41.675 25.009 1.00 0.00 O ATOM 986 OD2 ASP A 61 19.392 42.356 23.135 1.00 0.00 O ATOM 0 H ASP A 61 21.372 40.475 25.835 1.00 0.00 H new ATOM 0 HA ASP A 61 18.886 39.183 25.464 1.00 0.00 H new ATOM 0 HB2 ASP A 61 20.985 40.307 23.571 1.00 0.00 H new ATOM 0 HB3 ASP A 61 19.486 39.612 22.989 1.00 0.00 H new ATOM 991 N ALA A 62 21.427 37.240 24.925 1.00 0.00 N ATOM 992 CA ALA A 62 21.741 35.814 24.816 1.00 0.00 C ATOM 993 C ALA A 62 21.227 35.031 26.033 1.00 0.00 C ATOM 994 O ALA A 62 20.522 34.033 25.886 1.00 0.00 O ATOM 995 CB ALA A 62 23.253 35.625 24.661 1.00 0.00 C ATOM 0 H ALA A 62 22.216 37.813 25.225 1.00 0.00 H new ATOM 0 HA ALA A 62 21.236 35.421 23.933 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.480 34.562 24.580 1.00 0.00 H new ATOM 0 HB2 ALA A 62 23.594 36.138 23.762 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.763 36.040 25.531 1.00 0.00 H new ATOM 1001 N ILE A 63 21.552 35.491 27.249 1.00 0.00 N ATOM 1002 CA ILE A 63 21.264 34.759 28.494 1.00 0.00 C ATOM 1003 C ILE A 63 19.752 34.617 28.746 1.00 0.00 C ATOM 1004 O ILE A 63 19.302 33.566 29.207 1.00 0.00 O ATOM 1005 CB ILE A 63 22.055 35.396 29.669 1.00 0.00 C ATOM 1006 CG1 ILE A 63 22.806 34.335 30.504 1.00 0.00 C ATOM 1007 CG2 ILE A 63 21.229 36.345 30.555 1.00 0.00 C ATOM 1008 CD1 ILE A 63 21.948 33.343 31.302 1.00 0.00 C ATOM 0 H ILE A 63 22.023 36.383 27.399 1.00 0.00 H new ATOM 0 HA ILE A 63 21.614 33.731 28.400 1.00 0.00 H new ATOM 0 HB ILE A 63 22.799 36.034 29.191 1.00 0.00 H new ATOM 0 HG12 ILE A 63 23.446 33.765 29.831 1.00 0.00 H new ATOM 0 HG13 ILE A 63 23.461 34.855 31.203 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.861 36.743 31.349 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.846 37.166 29.950 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.395 35.798 30.995 1.00 0.00 H new ATOM 0 HD11 ILE A 63 22.597 32.654 31.843 1.00 0.00 H new ATOM 0 HD12 ILE A 63 21.326 33.889 32.012 1.00 0.00 H new ATOM 0 HD13 ILE A 63 21.311 32.781 30.619 1.00 0.00 H new ATOM 1020 N LYS A 64 18.941 35.614 28.358 1.00 0.00 N ATOM 1021 CA LYS A 64 17.468 35.539 28.409 1.00 0.00 C ATOM 1022 C LYS A 64 16.865 34.584 27.368 1.00 0.00 C ATOM 1023 O LYS A 64 15.768 34.075 27.561 1.00 0.00 O ATOM 1024 CB LYS A 64 16.868 36.958 28.349 1.00 0.00 C ATOM 1025 CG LYS A 64 16.932 37.654 26.977 1.00 0.00 C ATOM 1026 CD LYS A 64 15.651 37.476 26.149 1.00 0.00 C ATOM 1027 CE LYS A 64 15.768 38.244 24.828 1.00 0.00 C ATOM 1028 NZ LYS A 64 14.505 38.169 24.045 1.00 0.00 N ATOM 0 H LYS A 64 19.289 36.502 27.997 1.00 0.00 H new ATOM 0 HA LYS A 64 17.193 35.094 29.365 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.825 36.905 28.660 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.386 37.582 29.077 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.117 38.718 27.125 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.778 37.259 26.415 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.481 36.418 25.950 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.791 37.836 26.713 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.011 39.287 25.032 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.589 37.835 24.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.615 38.698 23.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.288 37.175 23.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.728 38.582 24.599 1.00 0.00 H new ATOM 1042 N GLU A 65 17.587 34.303 26.282 1.00 0.00 N ATOM 1043 CA GLU A 65 17.246 33.282 25.275 1.00 0.00 C ATOM 1044 C GLU A 65 17.691 31.867 25.722 1.00 0.00 C ATOM 1045 O GLU A 65 17.025 30.884 25.395 1.00 0.00 O ATOM 1046 CB GLU A 65 17.796 33.755 23.903 1.00 0.00 C ATOM 1047 CG GLU A 65 18.553 32.756 23.015 1.00 0.00 C ATOM 1048 CD GLU A 65 17.716 31.606 22.417 1.00 0.00 C ATOM 1049 OE1 GLU A 65 16.498 31.777 22.175 1.00 0.00 O ATOM 1050 OE2 GLU A 65 18.309 30.532 22.143 1.00 0.00 O ATOM 0 H GLU A 65 18.455 34.793 26.067 1.00 0.00 H new ATOM 0 HA GLU A 65 16.166 33.178 25.167 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.954 34.135 23.325 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.461 34.598 24.089 1.00 0.00 H new ATOM 0 HG2 GLU A 65 19.013 33.307 22.195 1.00 0.00 H new ATOM 0 HG3 GLU A 65 19.363 32.322 23.601 1.00 0.00 H new ATOM 1057 N LYS A 66 18.756 31.753 26.533 1.00 0.00 N ATOM 1058 CA LYS A 66 19.159 30.501 27.217 1.00 0.00 C ATOM 1059 C LYS A 66 18.294 30.149 28.446 1.00 0.00 C ATOM 1060 O LYS A 66 18.514 29.090 29.036 1.00 0.00 O ATOM 1061 CB LYS A 66 20.647 30.566 27.636 1.00 0.00 C ATOM 1062 CG LYS A 66 21.711 30.751 26.538 1.00 0.00 C ATOM 1063 CD LYS A 66 21.680 29.717 25.397 1.00 0.00 C ATOM 1064 CE LYS A 66 20.699 30.164 24.308 1.00 0.00 C ATOM 1065 NZ LYS A 66 20.578 29.207 23.183 1.00 0.00 N ATOM 0 H LYS A 66 19.375 32.538 26.739 1.00 0.00 H new ATOM 0 HA LYS A 66 19.003 29.707 26.487 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.756 31.386 28.345 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.881 29.647 28.173 1.00 0.00 H new ATOM 0 HG2 LYS A 66 21.592 31.745 26.106 1.00 0.00 H new ATOM 0 HG3 LYS A 66 22.696 30.722 27.004 1.00 0.00 H new ATOM 0 HD2 LYS A 66 22.678 29.601 24.973 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.384 28.743 25.786 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.716 30.311 24.755 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.019 31.130 23.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.772 29.476 22.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.451 29.224 22.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.426 28.249 23.557 1.00 0.00 H new ATOM 1079 N ASP A 67 17.364 31.010 28.864 1.00 0.00 N ATOM 1080 CA ASP A 67 16.703 30.949 30.181 1.00 0.00 C ATOM 1081 C ASP A 67 15.833 29.694 30.450 1.00 0.00 C ATOM 1082 O ASP A 67 15.526 28.897 29.557 1.00 0.00 O ATOM 1083 CB ASP A 67 15.928 32.253 30.472 1.00 0.00 C ATOM 1084 CG ASP A 67 14.519 32.391 29.858 1.00 0.00 C ATOM 1085 OD1 ASP A 67 14.105 31.592 28.983 1.00 0.00 O ATOM 1086 OD2 ASP A 67 13.780 33.305 30.297 1.00 0.00 O ATOM 0 H ASP A 67 17.039 31.787 28.289 1.00 0.00 H new ATOM 0 HA ASP A 67 17.524 30.847 30.891 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.836 32.357 31.553 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.532 33.090 30.121 1.00 0.00 H new ATOM 1091 N GLY A 68 15.423 29.541 31.717 1.00 0.00 N ATOM 1092 CA GLY A 68 14.656 28.396 32.220 1.00 0.00 C ATOM 1093 C GLY A 68 15.570 27.252 32.665 1.00 0.00 C ATOM 1094 O GLY A 68 15.823 26.312 31.908 1.00 0.00 O ATOM 0 H GLY A 68 15.623 30.232 32.440 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.036 28.714 33.059 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.981 28.040 31.442 1.00 0.00 H new ATOM 1098 N CYS A 69 16.075 27.341 33.898 1.00 0.00 N ATOM 1099 CA CYS A 69 16.906 26.306 34.516 1.00 0.00 C ATOM 1100 C CYS A 69 16.133 24.988 34.750 1.00 0.00 C ATOM 1101 O CYS A 69 14.910 24.974 34.912 1.00 0.00 O ATOM 1102 CB CYS A 69 17.546 26.867 35.799 1.00 0.00 C ATOM 1103 SG CYS A 69 16.285 27.463 36.967 1.00 0.00 S ATOM 0 H CYS A 69 15.915 28.146 34.504 1.00 0.00 H new ATOM 0 HA CYS A 69 17.706 26.038 33.826 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.148 26.093 36.275 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.221 27.683 35.543 1.00 0.00 H new ATOM 0 HG CYS A 69 16.866 27.925 38.034 1.00 0.00 H new ATOM 1109 N ASP A 70 16.864 23.870 34.750 1.00 0.00 N ATOM 1110 CA ASP A 70 16.322 22.508 34.701 1.00 0.00 C ATOM 1111 C ASP A 70 17.097 21.553 35.624 1.00 0.00 C ATOM 1112 O ASP A 70 18.334 21.525 35.625 1.00 0.00 O ATOM 1113 CB ASP A 70 16.327 22.019 33.236 1.00 0.00 C ATOM 1114 CG ASP A 70 14.935 21.648 32.698 1.00 0.00 C ATOM 1115 OD1 ASP A 70 14.072 21.179 33.478 1.00 0.00 O ATOM 1116 OD2 ASP A 70 14.721 21.760 31.469 1.00 0.00 O ATOM 0 H ASP A 70 17.883 23.888 34.785 1.00 0.00 H new ATOM 0 HA ASP A 70 15.296 22.519 35.069 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.754 22.798 32.605 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.980 21.150 33.156 1.00 0.00 H new ATOM 1121 N PHE A 71 16.348 20.786 36.421 1.00 0.00 N ATOM 1122 CA PHE A 71 16.818 20.026 37.587 1.00 0.00 C ATOM 1123 C PHE A 71 15.866 18.859 37.936 1.00 0.00 C ATOM 1124 O PHE A 71 14.815 18.693 37.313 1.00 0.00 O ATOM 1125 CB PHE A 71 16.987 21.006 38.772 1.00 0.00 C ATOM 1126 CG PHE A 71 15.857 22.011 38.974 1.00 0.00 C ATOM 1127 CD1 PHE A 71 14.596 21.593 39.440 1.00 0.00 C ATOM 1128 CD2 PHE A 71 16.072 23.374 38.689 1.00 0.00 C ATOM 1129 CE1 PHE A 71 13.561 22.525 39.625 1.00 0.00 C ATOM 1130 CE2 PHE A 71 15.038 24.308 38.878 1.00 0.00 C ATOM 1131 CZ PHE A 71 13.782 23.886 39.346 1.00 0.00 C ATOM 0 H PHE A 71 15.347 20.671 36.264 1.00 0.00 H new ATOM 0 HA PHE A 71 17.779 19.566 37.357 1.00 0.00 H new ATOM 0 HB2 PHE A 71 17.097 20.424 39.687 1.00 0.00 H new ATOM 0 HB3 PHE A 71 17.917 21.558 38.632 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.423 20.549 39.657 1.00 0.00 H new ATOM 0 HD2 PHE A 71 17.034 23.702 38.324 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.596 22.197 39.981 1.00 0.00 H new ATOM 0 HE2 PHE A 71 15.210 25.352 38.663 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.989 24.604 39.491 1.00 0.00 H new ATOM 1141 N GLU A 72 16.229 18.046 38.941 1.00 0.00 N ATOM 1142 CA GLU A 72 15.430 16.926 39.495 1.00 0.00 C ATOM 1143 C GLU A 72 15.025 15.833 38.474 1.00 0.00 C ATOM 1144 O GLU A 72 14.062 15.086 38.672 1.00 0.00 O ATOM 1145 CB GLU A 72 14.248 17.450 40.340 1.00 0.00 C ATOM 1146 CG GLU A 72 14.712 18.239 41.576 1.00 0.00 C ATOM 1147 CD GLU A 72 13.547 18.624 42.511 1.00 0.00 C ATOM 1148 OE1 GLU A 72 12.426 18.931 42.032 1.00 0.00 O ATOM 1149 OE2 GLU A 72 13.749 18.638 43.751 1.00 0.00 O ATOM 0 H GLU A 72 17.126 18.151 39.415 1.00 0.00 H new ATOM 0 HA GLU A 72 16.103 16.390 40.164 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.618 18.088 39.721 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.633 16.609 40.660 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.436 17.643 42.131 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.226 19.144 41.252 1.00 0.00 H new ATOM 1156 N GLY A 73 15.778 15.722 37.375 1.00 0.00 N ATOM 1157 CA GLY A 73 15.597 14.731 36.307 1.00 0.00 C ATOM 1158 C GLY A 73 16.227 15.203 34.997 1.00 0.00 C ATOM 1159 O GLY A 73 17.001 14.476 34.369 1.00 0.00 O ATOM 0 H GLY A 73 16.564 16.347 37.197 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.045 13.784 36.608 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.533 14.547 36.156 1.00 0.00 H new ATOM 1163 N ASN A 74 15.970 16.465 34.641 1.00 0.00 N ATOM 1164 CA ASN A 74 16.735 17.211 33.638 1.00 0.00 C ATOM 1165 C ASN A 74 18.027 17.791 34.253 1.00 0.00 C ATOM 1166 O ASN A 74 18.116 17.967 35.471 1.00 0.00 O ATOM 1167 CB ASN A 74 15.849 18.320 33.048 1.00 0.00 C ATOM 1168 CG ASN A 74 14.566 17.819 32.402 1.00 0.00 C ATOM 1169 OD1 ASN A 74 14.494 16.740 31.825 1.00 0.00 O ATOM 1170 ND2 ASN A 74 13.505 18.590 32.469 1.00 0.00 N ATOM 0 H ASN A 74 15.209 17.007 35.050 1.00 0.00 H new ATOM 0 HA ASN A 74 17.035 16.536 32.836 1.00 0.00 H new ATOM 0 HB2 ASN A 74 15.592 19.024 33.840 1.00 0.00 H new ATOM 0 HB3 ASN A 74 16.425 18.872 32.305 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.628 18.290 32.043 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.557 19.489 32.948 1.00 0.00 H new ATOM 1177 N LYS A 75 19.013 18.117 33.408 1.00 0.00 N ATOM 1178 CA LYS A 75 20.278 18.782 33.776 1.00 0.00 C ATOM 1179 C LYS A 75 20.560 19.932 32.800 1.00 0.00 C ATOM 1180 O LYS A 75 21.002 19.690 31.678 1.00 0.00 O ATOM 1181 CB LYS A 75 21.444 17.761 33.795 1.00 0.00 C ATOM 1182 CG LYS A 75 21.797 17.232 35.196 1.00 0.00 C ATOM 1183 CD LYS A 75 20.845 16.145 35.731 1.00 0.00 C ATOM 1184 CE LYS A 75 20.341 16.452 37.149 1.00 0.00 C ATOM 1185 NZ LYS A 75 21.427 16.381 38.163 1.00 0.00 N ATOM 0 H LYS A 75 18.953 17.919 32.409 1.00 0.00 H new ATOM 0 HA LYS A 75 20.187 19.196 34.780 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.184 16.918 33.155 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.328 18.228 33.362 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.810 16.830 35.173 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.802 18.068 35.895 1.00 0.00 H new ATOM 0 HD2 LYS A 75 19.993 16.050 35.058 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.359 15.184 35.732 1.00 0.00 H new ATOM 0 HE2 LYS A 75 19.896 17.447 37.166 1.00 0.00 H new ATOM 0 HE3 LYS A 75 19.554 15.746 37.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 21.038 16.596 39.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 21.836 15.425 38.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.167 17.073 37.928 1.00 0.00 H new ATOM 1199 N LEU A 76 20.265 21.167 33.213 1.00 0.00 N ATOM 1200 CA LEU A 76 20.549 22.395 32.450 1.00 0.00 C ATOM 1201 C LEU A 76 20.419 23.627 33.374 1.00 0.00 C ATOM 1202 O LEU A 76 19.356 24.242 33.468 1.00 0.00 O ATOM 1203 CB LEU A 76 19.601 22.459 31.217 1.00 0.00 C ATOM 1204 CG LEU A 76 20.365 22.617 29.889 1.00 0.00 C ATOM 1205 CD1 LEU A 76 19.435 22.321 28.711 1.00 0.00 C ATOM 1206 CD2 LEU A 76 20.910 24.039 29.736 1.00 0.00 C ATOM 0 H LEU A 76 19.811 21.350 34.108 1.00 0.00 H new ATOM 0 HA LEU A 76 21.573 22.389 32.076 1.00 0.00 H new ATOM 0 HB2 LEU A 76 18.998 21.551 31.179 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.911 23.295 31.337 1.00 0.00 H new ATOM 0 HG LEU A 76 21.197 21.913 29.898 1.00 0.00 H new ATOM 0 HD11 LEU A 76 19.984 22.435 27.776 1.00 0.00 H new ATOM 0 HD12 LEU A 76 19.061 21.300 28.790 1.00 0.00 H new ATOM 0 HD13 LEU A 76 18.596 23.016 28.726 1.00 0.00 H new ATOM 0 HD21 LEU A 76 21.445 24.124 28.790 1.00 0.00 H new ATOM 0 HD22 LEU A 76 20.083 24.749 29.750 1.00 0.00 H new ATOM 0 HD23 LEU A 76 21.590 24.258 30.559 1.00 0.00 H new ATOM 1218 N ARG A 77 21.482 23.990 34.101 1.00 0.00 N ATOM 1219 CA ARG A 77 21.491 25.172 34.982 1.00 0.00 C ATOM 1220 C ARG A 77 21.947 26.417 34.217 1.00 0.00 C ATOM 1221 O ARG A 77 23.011 26.424 33.605 1.00 0.00 O ATOM 1222 CB ARG A 77 22.333 24.908 36.243 1.00 0.00 C ATOM 1223 CG ARG A 77 22.260 26.098 37.221 1.00 0.00 C ATOM 1224 CD ARG A 77 22.898 25.800 38.583 1.00 0.00 C ATOM 1225 NE ARG A 77 22.040 24.932 39.417 1.00 0.00 N ATOM 1226 CZ ARG A 77 22.028 24.882 40.740 1.00 0.00 C ATOM 1227 NH1 ARG A 77 22.843 25.594 41.457 1.00 0.00 N ATOM 1228 NH2 ARG A 77 21.198 24.103 41.368 1.00 0.00 N ATOM 0 H ARG A 77 22.362 23.475 34.098 1.00 0.00 H new ATOM 0 HA ARG A 77 20.473 25.366 35.319 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.978 24.004 36.738 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.370 24.729 35.960 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.758 26.958 36.774 1.00 0.00 H new ATOM 0 HG3 ARG A 77 21.216 26.375 37.369 1.00 0.00 H new ATOM 0 HD2 ARG A 77 23.864 25.319 38.433 1.00 0.00 H new ATOM 0 HD3 ARG A 77 23.086 26.736 39.108 1.00 0.00 H new ATOM 0 HE ARG A 77 21.395 24.312 38.926 1.00 0.00 H new ATOM 0 HH11 ARG A 77 23.515 26.212 41.003 1.00 0.00 H new ATOM 0 HH12 ARG A 77 22.811 25.535 42.475 1.00 0.00 H new ATOM 0 HH21 ARG A 77 20.546 23.521 40.841 1.00 0.00 H new ATOM 0 HH22 ARG A 77 21.198 24.073 42.388 1.00 0.00 H new ATOM 1242 N VAL A 78 21.170 27.491 34.316 1.00 0.00 N ATOM 1243 CA VAL A 78 21.452 28.807 33.720 1.00 0.00 C ATOM 1244 C VAL A 78 21.182 29.909 34.742 1.00 0.00 C ATOM 1245 O VAL A 78 20.147 29.916 35.411 1.00 0.00 O ATOM 1246 CB VAL A 78 20.659 29.053 32.422 1.00 0.00 C ATOM 1247 CG1 VAL A 78 21.280 28.271 31.259 1.00 0.00 C ATOM 1248 CG2 VAL A 78 19.171 28.688 32.525 1.00 0.00 C ATOM 0 H VAL A 78 20.290 27.475 34.832 1.00 0.00 H new ATOM 0 HA VAL A 78 22.506 28.822 33.443 1.00 0.00 H new ATOM 0 HB VAL A 78 20.717 30.127 32.244 1.00 0.00 H new ATOM 0 HG11 VAL A 78 20.708 28.456 30.350 1.00 0.00 H new ATOM 0 HG12 VAL A 78 22.310 28.595 31.112 1.00 0.00 H new ATOM 0 HG13 VAL A 78 21.264 27.205 31.487 1.00 0.00 H new ATOM 0 HG21 VAL A 78 18.680 28.889 31.573 1.00 0.00 H new ATOM 0 HG22 VAL A 78 19.072 27.630 32.768 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.703 29.286 33.307 1.00 0.00 H new ATOM 1258 N GLU A 79 22.130 30.831 34.875 1.00 0.00 N ATOM 1259 CA GLU A 79 22.076 31.974 35.789 1.00 0.00 C ATOM 1260 C GLU A 79 23.056 33.059 35.314 1.00 0.00 C ATOM 1261 O GLU A 79 24.043 32.754 34.642 1.00 0.00 O ATOM 1262 CB GLU A 79 22.389 31.514 37.229 1.00 0.00 C ATOM 1263 CG GLU A 79 22.130 32.608 38.271 1.00 0.00 C ATOM 1264 CD GLU A 79 22.262 32.063 39.702 1.00 0.00 C ATOM 1265 OE1 GLU A 79 21.375 31.303 40.158 1.00 0.00 O ATOM 1266 OE2 GLU A 79 23.259 32.415 40.371 1.00 0.00 O ATOM 0 H GLU A 79 22.991 30.804 34.329 1.00 0.00 H new ATOM 0 HA GLU A 79 21.073 32.400 35.789 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.781 30.641 37.467 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.432 31.202 37.288 1.00 0.00 H new ATOM 0 HG2 GLU A 79 22.836 33.426 38.125 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.131 33.020 38.128 1.00 0.00 H new ATOM 1273 N VAL A 80 22.800 34.324 35.653 1.00 0.00 N ATOM 1274 CA VAL A 80 23.625 35.467 35.240 1.00 0.00 C ATOM 1275 C VAL A 80 24.086 36.291 36.461 1.00 0.00 C ATOM 1276 O VAL A 80 23.249 36.667 37.285 1.00 0.00 O ATOM 1277 CB VAL A 80 22.885 36.279 34.159 1.00 0.00 C ATOM 1278 CG1 VAL A 80 21.574 36.930 34.616 1.00 0.00 C ATOM 1279 CG2 VAL A 80 23.801 37.351 33.574 1.00 0.00 C ATOM 0 H VAL A 80 22.002 34.590 36.231 1.00 0.00 H new ATOM 0 HA VAL A 80 24.548 35.116 34.779 1.00 0.00 H new ATOM 0 HB VAL A 80 22.609 35.543 33.403 1.00 0.00 H new ATOM 0 HG11 VAL A 80 21.131 37.478 33.784 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.882 36.158 34.952 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.776 37.618 35.437 1.00 0.00 H new ATOM 0 HG21 VAL A 80 23.262 37.914 32.812 1.00 0.00 H new ATOM 0 HG22 VAL A 80 24.122 38.027 34.366 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.674 36.878 33.125 1.00 0.00 H new ATOM 1289 N PRO A 81 25.403 36.559 36.627 1.00 0.00 N ATOM 1290 CA PRO A 81 25.917 37.364 37.738 1.00 0.00 C ATOM 1291 C PRO A 81 25.719 38.876 37.521 1.00 0.00 C ATOM 1292 O PRO A 81 25.540 39.620 38.487 1.00 0.00 O ATOM 1293 CB PRO A 81 27.400 36.992 37.841 1.00 0.00 C ATOM 1294 CG PRO A 81 27.785 36.652 36.403 1.00 0.00 C ATOM 1295 CD PRO A 81 26.511 36.022 35.841 1.00 0.00 C ATOM 0 HA PRO A 81 25.376 37.154 38.660 1.00 0.00 H new ATOM 0 HB2 PRO A 81 27.995 37.818 38.231 1.00 0.00 H new ATOM 0 HB3 PRO A 81 27.555 36.145 38.509 1.00 0.00 H new ATOM 0 HG2 PRO A 81 28.076 37.541 35.843 1.00 0.00 H new ATOM 0 HG3 PRO A 81 28.627 35.961 36.364 1.00 0.00 H new ATOM 0 HD2 PRO A 81 26.391 36.264 34.785 1.00 0.00 H new ATOM 0 HD3 PRO A 81 26.549 34.935 35.916 1.00 0.00 H new ATOM 1303 N PHE A 82 25.735 39.336 36.263 1.00 0.00 N ATOM 1304 CA PHE A 82 25.379 40.700 35.862 1.00 0.00 C ATOM 1305 C PHE A 82 23.853 40.886 35.714 1.00 0.00 C ATOM 1306 O PHE A 82 23.070 39.948 35.897 1.00 0.00 O ATOM 1307 CB PHE A 82 26.155 41.073 34.585 1.00 0.00 C ATOM 1308 CG PHE A 82 25.827 40.283 33.327 1.00 0.00 C ATOM 1309 CD1 PHE A 82 24.730 40.644 32.517 1.00 0.00 C ATOM 1310 CD2 PHE A 82 26.656 39.219 32.927 1.00 0.00 C ATOM 1311 CE1 PHE A 82 24.481 39.959 31.316 1.00 0.00 C ATOM 1312 CE2 PHE A 82 26.412 38.543 31.718 1.00 0.00 C ATOM 1313 CZ PHE A 82 25.324 38.913 30.907 1.00 0.00 C ATOM 0 H PHE A 82 26.005 38.750 35.473 1.00 0.00 H new ATOM 0 HA PHE A 82 25.672 41.390 36.653 1.00 0.00 H new ATOM 0 HB2 PHE A 82 25.981 42.129 34.378 1.00 0.00 H new ATOM 0 HB3 PHE A 82 27.220 40.960 34.789 1.00 0.00 H new ATOM 0 HD1 PHE A 82 24.079 41.450 32.821 1.00 0.00 H new ATOM 0 HD2 PHE A 82 27.484 38.920 33.552 1.00 0.00 H new ATOM 0 HE1 PHE A 82 23.636 40.238 30.704 1.00 0.00 H new ATOM 0 HE2 PHE A 82 27.062 37.737 31.411 1.00 0.00 H new ATOM 0 HZ PHE A 82 25.138 38.397 29.977 1.00 0.00 H new ATOM 1323 N ASN A 83 23.416 42.104 35.384 1.00 0.00 N ATOM 1324 CA ASN A 83 22.015 42.441 35.107 1.00 0.00 C ATOM 1325 C ASN A 83 21.924 43.588 34.072 1.00 0.00 C ATOM 1326 O ASN A 83 22.916 43.916 33.417 1.00 0.00 O ATOM 1327 CB ASN A 83 21.327 42.764 36.453 1.00 0.00 C ATOM 1328 CG ASN A 83 19.850 42.427 36.423 1.00 0.00 C ATOM 1329 OD1 ASN A 83 19.010 43.249 36.089 1.00 0.00 O ATOM 1330 ND2 ASN A 83 19.489 41.201 36.719 1.00 0.00 N ATOM 0 H ASN A 83 24.042 42.905 35.300 1.00 0.00 H new ATOM 0 HA ASN A 83 21.490 41.602 34.652 1.00 0.00 H new ATOM 0 HB2 ASN A 83 21.812 42.204 37.253 1.00 0.00 H new ATOM 0 HB3 ASN A 83 21.454 43.822 36.682 1.00 0.00 H new ATOM 0 HD21 ASN A 83 18.506 40.933 36.670 1.00 0.00 H new ATOM 0 HD22 ASN A 83 20.191 40.516 36.998 1.00 0.00 H new ATOM 1337 N ALA A 84 20.750 44.212 33.919 1.00 0.00 N ATOM 1338 CA ALA A 84 20.593 45.451 33.155 1.00 0.00 C ATOM 1339 C ALA A 84 21.503 46.575 33.710 1.00 0.00 C ATOM 1340 O ALA A 84 21.782 46.625 34.915 1.00 0.00 O ATOM 1341 CB ALA A 84 19.115 45.853 33.163 1.00 0.00 C ATOM 0 H ALA A 84 19.879 43.868 34.324 1.00 0.00 H new ATOM 0 HA ALA A 84 20.908 45.286 32.124 1.00 0.00 H new ATOM 0 HB1 ALA A 84 18.986 46.775 32.597 1.00 0.00 H new ATOM 0 HB2 ALA A 84 18.520 45.061 32.708 1.00 0.00 H new ATOM 0 HB3 ALA A 84 18.786 46.009 34.190 1.00 0.00 H new ATOM 1347 N ARG A 85 21.965 47.474 32.833 1.00 0.00 N ATOM 1348 CA ARG A 85 23.002 48.481 33.131 1.00 0.00 C ATOM 1349 C ARG A 85 22.627 49.852 32.562 1.00 0.00 C ATOM 1350 O ARG A 85 22.208 49.964 31.407 1.00 0.00 O ATOM 1351 CB ARG A 85 24.371 47.987 32.606 1.00 0.00 C ATOM 1352 CG ARG A 85 25.544 48.162 33.584 1.00 0.00 C ATOM 1353 CD ARG A 85 25.829 49.618 33.983 1.00 0.00 C ATOM 1354 NE ARG A 85 27.095 49.725 34.734 1.00 0.00 N ATOM 1355 CZ ARG A 85 27.580 50.804 35.322 1.00 0.00 C ATOM 1356 NH1 ARG A 85 26.948 51.943 35.359 1.00 0.00 N ATOM 1357 NH2 ARG A 85 28.745 50.754 35.906 1.00 0.00 N ATOM 0 H ARG A 85 21.623 47.527 31.873 1.00 0.00 H new ATOM 0 HA ARG A 85 23.076 48.607 34.211 1.00 0.00 H new ATOM 0 HB2 ARG A 85 24.285 46.931 32.350 1.00 0.00 H new ATOM 0 HB3 ARG A 85 24.604 48.520 31.684 1.00 0.00 H new ATOM 0 HG2 ARG A 85 25.338 47.585 34.486 1.00 0.00 H new ATOM 0 HG3 ARG A 85 26.442 47.740 33.134 1.00 0.00 H new ATOM 0 HD2 ARG A 85 25.879 50.240 33.089 1.00 0.00 H new ATOM 0 HD3 ARG A 85 25.009 49.999 34.591 1.00 0.00 H new ATOM 0 HE ARG A 85 27.655 48.876 34.807 1.00 0.00 H new ATOM 0 HH11 ARG A 85 26.032 52.032 34.920 1.00 0.00 H new ATOM 0 HH12 ARG A 85 27.370 52.745 35.827 1.00 0.00 H new ATOM 0 HH21 ARG A 85 29.278 49.884 35.908 1.00 0.00 H new ATOM 0 HH22 ARG A 85 29.123 51.585 36.361 1.00 0.00 H new ATOM 1371 N GLU A 86 22.804 50.881 33.384 1.00 0.00 N ATOM 1372 CA GLU A 86 22.531 52.307 33.121 1.00 0.00 C ATOM 1373 C GLU A 86 23.475 53.225 33.932 1.00 0.00 C ATOM 1374 O GLU A 86 23.378 54.465 33.789 1.00 0.00 O ATOM 1375 CB GLU A 86 21.039 52.597 33.394 1.00 0.00 C ATOM 1376 CG GLU A 86 20.592 52.353 34.849 1.00 0.00 C ATOM 1377 CD GLU A 86 19.072 52.576 35.039 1.00 0.00 C ATOM 1378 OE1 GLU A 86 18.560 53.682 34.734 1.00 0.00 O ATOM 1379 OE2 GLU A 86 18.372 51.648 35.519 1.00 0.00 O ATOM 1380 OXT GLU A 86 24.337 52.692 34.673 1.00 0.00 O ATOM 0 H GLU A 86 23.170 50.739 34.326 1.00 0.00 H new ATOM 0 HA GLU A 86 22.734 52.527 32.073 1.00 0.00 H new ATOM 0 HB2 GLU A 86 20.831 53.635 33.133 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.435 51.975 32.733 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.847 51.334 35.140 1.00 0.00 H new ATOM 0 HG3 GLU A 86 21.141 53.021 35.513 1.00 0.00 H new TER 1387 GLU A 86 ATOM 1388 O5' A B 101 24.842 23.571 42.685 1.00 0.00 O ATOM 1389 C5' A B 101 25.566 23.718 41.465 1.00 0.00 C ATOM 1390 C4' A B 101 26.464 24.967 41.448 1.00 0.00 C ATOM 1391 O4' A B 101 25.711 26.183 41.463 1.00 0.00 O ATOM 1392 C3' A B 101 27.433 24.991 42.655 1.00 0.00 C ATOM 1393 O3' A B 101 28.752 25.345 42.251 1.00 0.00 O ATOM 1394 C2' A B 101 26.799 26.099 43.512 1.00 0.00 C ATOM 1395 O2' A B 101 27.686 26.723 44.448 1.00 0.00 O ATOM 1396 C1' A B 101 26.344 27.039 42.400 1.00 0.00 C ATOM 1397 N9 A B 101 25.484 28.166 42.844 1.00 0.00 N ATOM 1398 C8 A B 101 25.715 29.505 42.630 1.00 0.00 C ATOM 1399 N7 A B 101 24.809 30.301 43.130 1.00 0.00 N ATOM 1400 C5 A B 101 23.894 29.410 43.714 1.00 0.00 C ATOM 1401 C6 A B 101 22.673 29.560 44.423 1.00 0.00 C ATOM 1402 N6 A B 101 22.083 30.712 44.688 1.00 0.00 N ATOM 1403 N1 A B 101 22.010 28.505 44.897 1.00 0.00 N ATOM 1404 C2 A B 101 22.528 27.304 44.673 1.00 0.00 C ATOM 1405 N3 A B 101 23.646 27.000 44.017 1.00 0.00 N ATOM 1406 C4 A B 101 24.299 28.109 43.553 1.00 0.00 C ATOM 0 H5' A B 101 24.862 23.772 40.635 1.00 0.00 H new ATOM 0 H5'' A B 101 26.181 22.832 41.304 1.00 0.00 H new ATOM 0 H4' A B 101 27.027 24.905 40.517 1.00 0.00 H new ATOM 0 H3' A B 101 27.546 24.033 43.163 1.00 0.00 H new ATOM 0 H2' A B 101 26.018 25.746 44.186 1.00 0.00 H new ATOM 0 HO2' A B 101 28.613 26.583 44.163 1.00 0.00 H new ATOM 0 HO5' A B 101 24.287 22.764 42.641 1.00 0.00 H new ATOM 0 H1' A B 101 27.191 27.576 41.972 1.00 0.00 H new ATOM 0 H8 A B 101 26.577 29.869 42.091 1.00 0.00 H new ATOM 0 H61 A B 101 21.204 30.728 45.205 1.00 0.00 H new ATOM 0 H62 A B 101 22.507 31.586 44.376 1.00 0.00 H new ATOM 0 H2 A B 101 21.973 26.468 45.073 1.00 0.00 H new ATOM 1419 P C B 102 29.721 24.296 41.514 1.00 0.00 P ATOM 1420 OP1 C B 102 28.920 23.367 40.686 1.00 0.00 O ATOM 1421 OP2 C B 102 30.651 23.743 42.530 1.00 0.00 O ATOM 1422 O5' C B 102 30.547 25.283 40.550 1.00 0.00 O ATOM 1423 C5' C B 102 29.891 26.115 39.600 1.00 0.00 C ATOM 1424 C4' C B 102 30.676 27.420 39.400 1.00 0.00 C ATOM 1425 O4' C B 102 29.867 28.330 38.648 1.00 0.00 O ATOM 1426 C3' C B 102 31.010 28.131 40.733 1.00 0.00 C ATOM 1427 O3' C B 102 32.233 28.848 40.648 1.00 0.00 O ATOM 1428 C2' C B 102 29.844 29.123 40.821 1.00 0.00 C ATOM 1429 O2' C B 102 30.030 30.198 41.742 1.00 0.00 O ATOM 1430 C1' C B 102 29.806 29.557 39.358 1.00 0.00 C ATOM 1431 N1 C B 102 28.618 30.394 39.031 1.00 0.00 N ATOM 1432 C2 C B 102 28.819 31.745 38.699 1.00 0.00 C ATOM 1433 O2 C B 102 29.941 32.200 38.477 1.00 0.00 O ATOM 1434 N3 C B 102 27.771 32.606 38.658 1.00 0.00 N ATOM 1435 C4 C B 102 26.570 32.146 38.922 1.00 0.00 C ATOM 1436 N4 C B 102 25.629 33.046 38.975 1.00 0.00 N ATOM 1437 C5 C B 102 26.292 30.784 39.220 1.00 0.00 C ATOM 1438 C6 C B 102 27.345 29.928 39.246 1.00 0.00 C ATOM 0 H5' C B 102 28.880 26.340 39.940 1.00 0.00 H new ATOM 0 H5'' C B 102 29.798 25.590 38.650 1.00 0.00 H new ATOM 0 H4' C B 102 31.605 27.155 38.896 1.00 0.00 H new ATOM 0 H3' C B 102 31.123 27.453 41.579 1.00 0.00 H new ATOM 0 H2' C B 102 28.918 28.706 41.217 1.00 0.00 H new ATOM 0 HO2' C B 102 30.988 30.371 41.853 1.00 0.00 H new ATOM 0 H1' C B 102 30.629 30.219 39.089 1.00 0.00 H new ATOM 0 H41 C B 102 24.668 32.768 39.175 1.00 0.00 H new ATOM 0 H42 C B 102 25.853 34.028 38.816 1.00 0.00 H new ATOM 0 H5 C B 102 25.286 30.445 39.417 1.00 0.00 H new ATOM 0 H6 C B 102 27.181 28.878 39.436 1.00 0.00 H new ATOM 1450 P A B 103 33.650 28.133 40.786 1.00 0.00 P ATOM 1451 OP1 A B 103 34.001 27.539 39.472 1.00 0.00 O ATOM 1452 OP2 A B 103 33.668 27.292 42.007 1.00 0.00 O ATOM 1453 O5' A B 103 34.524 29.457 41.079 1.00 0.00 O ATOM 1454 C5' A B 103 35.900 29.586 40.764 1.00 0.00 C ATOM 1455 C4' A B 103 36.194 29.542 39.255 1.00 0.00 C ATOM 1456 O4' A B 103 35.266 30.301 38.476 1.00 0.00 O ATOM 1457 C3' A B 103 37.590 30.074 38.924 1.00 0.00 C ATOM 1458 O3' A B 103 38.060 29.434 37.746 1.00 0.00 O ATOM 1459 C2' A B 103 37.250 31.558 38.688 1.00 0.00 C ATOM 1460 O2' A B 103 38.249 32.281 37.975 1.00 0.00 O ATOM 1461 C1' A B 103 35.934 31.421 37.916 1.00 0.00 C ATOM 1462 N9 A B 103 35.049 32.617 37.943 1.00 0.00 N ATOM 1463 C8 A B 103 34.519 33.287 36.865 1.00 0.00 C ATOM 1464 N7 A B 103 33.648 34.216 37.172 1.00 0.00 N ATOM 1465 C5 A B 103 33.589 34.143 38.572 1.00 0.00 C ATOM 1466 C6 A B 103 32.852 34.814 39.582 1.00 0.00 C ATOM 1467 N6 A B 103 31.946 35.752 39.372 1.00 0.00 N ATOM 1468 N1 A B 103 33.031 34.543 40.874 1.00 0.00 N ATOM 1469 C2 A B 103 33.921 33.610 41.189 1.00 0.00 C ATOM 1470 N3 A B 103 34.682 32.895 40.367 1.00 0.00 N ATOM 1471 C4 A B 103 34.462 33.198 39.055 1.00 0.00 C ATOM 0 H5' A B 103 36.453 28.786 41.257 1.00 0.00 H new ATOM 0 H5'' A B 103 36.270 30.527 41.170 1.00 0.00 H new ATOM 0 H4' A B 103 36.110 28.486 38.999 1.00 0.00 H new ATOM 0 H3' A B 103 38.370 29.914 39.669 1.00 0.00 H new ATOM 0 H2' A B 103 37.182 32.145 39.604 1.00 0.00 H new ATOM 0 HO2' A B 103 38.794 31.657 37.452 1.00 0.00 H new ATOM 0 H1' A B 103 36.172 31.301 36.859 1.00 0.00 H new ATOM 0 H8 A B 103 34.799 33.065 35.846 1.00 0.00 H new ATOM 0 H61 A B 103 31.464 36.181 40.162 1.00 0.00 H new ATOM 0 H62 A B 103 31.729 36.047 38.420 1.00 0.00 H new ATOM 0 H2 A B 103 34.042 33.407 42.243 1.00 0.00 H new ATOM 1483 P U B 104 38.749 27.985 37.780 1.00 0.00 P ATOM 1484 OP1 U B 104 37.718 26.967 38.084 1.00 0.00 O ATOM 1485 OP2 U B 104 39.986 28.051 38.594 1.00 0.00 O ATOM 1486 O5' U B 104 39.133 27.823 36.241 1.00 0.00 O ATOM 1487 C5' U B 104 40.042 28.719 35.626 1.00 0.00 C ATOM 1488 C4' U B 104 39.708 28.871 34.143 1.00 0.00 C ATOM 1489 O4' U B 104 38.397 29.399 33.927 1.00 0.00 O ATOM 1490 C3' U B 104 40.637 29.887 33.485 1.00 0.00 C ATOM 1491 O3' U B 104 41.967 29.444 33.254 1.00 0.00 O ATOM 1492 C2' U B 104 39.852 30.175 32.204 1.00 0.00 C ATOM 1493 O2' U B 104 40.116 29.211 31.190 1.00 0.00 O ATOM 1494 C1' U B 104 38.392 30.031 32.651 1.00 0.00 C ATOM 1495 N1 U B 104 37.646 31.330 32.601 1.00 0.00 N ATOM 1496 C2 U B 104 37.977 32.385 33.474 1.00 0.00 C ATOM 1497 O2 U B 104 38.863 32.339 34.320 1.00 0.00 O ATOM 1498 N3 U B 104 37.262 33.560 33.345 1.00 0.00 N ATOM 1499 C4 U B 104 36.266 33.804 32.431 1.00 0.00 C ATOM 1500 O4 U B 104 35.689 34.884 32.419 1.00 0.00 O ATOM 1501 C5 U B 104 35.988 32.691 31.555 1.00 0.00 C ATOM 1502 C6 U B 104 36.639 31.503 31.672 1.00 0.00 C ATOM 0 H5' U B 104 41.061 28.351 35.741 1.00 0.00 H new ATOM 0 H5'' U B 104 39.996 29.690 36.118 1.00 0.00 H new ATOM 0 H4' U B 104 39.804 27.868 33.727 1.00 0.00 H new ATOM 0 H3' U B 104 40.842 30.756 34.111 1.00 0.00 H new ATOM 0 H2' U B 104 40.109 31.147 31.782 1.00 0.00 H new ATOM 0 HO2' U B 104 41.037 29.315 30.872 1.00 0.00 H new ATOM 0 H1' U B 104 37.835 29.402 31.956 1.00 0.00 H new ATOM 0 H3 U B 104 37.495 34.317 33.988 1.00 0.00 H new ATOM 0 H5 U B 104 35.241 32.805 30.784 1.00 0.00 H new ATOM 0 H6 U B 104 36.364 30.681 31.028 1.00 0.00 H new ATOM 1513 P C B 105 43.049 30.461 32.663 1.00 0.00 P ATOM 1514 OP1 C B 105 42.984 31.704 33.468 1.00 0.00 O ATOM 1515 OP2 C B 105 42.842 30.531 31.196 1.00 0.00 O ATOM 1516 O5' C B 105 44.419 29.675 32.978 1.00 0.00 O ATOM 1517 C5' C B 105 45.580 30.314 33.493 1.00 0.00 C ATOM 1518 C4' C B 105 46.395 31.023 32.398 1.00 0.00 C ATOM 1519 O4' C B 105 45.760 32.192 31.890 1.00 0.00 O ATOM 1520 C3' C B 105 47.758 31.504 32.896 1.00 0.00 C ATOM 1521 O3' C B 105 48.637 30.414 33.158 1.00 0.00 O ATOM 1522 C2' C B 105 48.127 32.465 31.753 1.00 0.00 C ATOM 1523 O2' C B 105 48.532 31.800 30.553 1.00 0.00 O ATOM 1524 C1' C B 105 46.761 33.125 31.482 1.00 0.00 C ATOM 1525 N1 C B 105 46.618 34.425 32.212 1.00 0.00 N ATOM 1526 C2 C B 105 47.059 35.598 31.578 1.00 0.00 C ATOM 1527 O2 C B 105 47.611 35.567 30.476 1.00 0.00 O ATOM 1528 N3 C B 105 46.887 36.809 32.166 1.00 0.00 N ATOM 1529 C4 C B 105 46.307 36.863 33.345 1.00 0.00 C ATOM 1530 N4 C B 105 46.155 38.053 33.856 1.00 0.00 N ATOM 1531 C5 C B 105 45.836 35.714 34.040 1.00 0.00 C ATOM 1532 C6 C B 105 45.997 34.509 33.439 1.00 0.00 C ATOM 0 H5' C B 105 46.209 29.574 33.988 1.00 0.00 H new ATOM 0 H5'' C B 105 45.286 31.040 34.250 1.00 0.00 H new ATOM 0 H4' C B 105 46.490 30.259 31.627 1.00 0.00 H new ATOM 0 H3' C B 105 47.796 32.002 33.865 1.00 0.00 H new ATOM 0 H2' C B 105 48.958 33.117 32.021 1.00 0.00 H new ATOM 0 HO2' C B 105 48.751 32.466 29.868 1.00 0.00 H new ATOM 0 H1' C B 105 46.661 33.363 30.423 1.00 0.00 H new ATOM 0 H41 C B 105 45.712 38.164 34.768 1.00 0.00 H new ATOM 0 H42 C B 105 46.479 38.873 33.344 1.00 0.00 H new ATOM 0 H5 C B 105 45.368 35.798 35.010 1.00 0.00 H new ATOM 0 H6 C B 105 45.638 33.613 33.923 1.00 0.00 H new ATOM 1544 P A B 106 50.159 30.609 33.639 1.00 0.00 P ATOM 1545 OP1 A B 106 50.969 31.082 32.492 1.00 0.00 O ATOM 1546 OP2 A B 106 50.566 29.349 34.311 1.00 0.00 O ATOM 1547 O5' A B 106 50.167 31.779 34.743 1.00 0.00 O ATOM 1548 C5' A B 106 49.484 31.682 35.987 1.00 0.00 C ATOM 1549 C4' A B 106 50.237 32.448 37.097 1.00 0.00 C ATOM 1550 O4' A B 106 50.901 33.604 36.585 1.00 0.00 O ATOM 1551 C3' A B 106 49.285 32.929 38.206 1.00 0.00 C ATOM 1552 O3' A B 106 49.945 32.919 39.472 1.00 0.00 O ATOM 1553 C2' A B 106 48.978 34.358 37.733 1.00 0.00 C ATOM 1554 O2' A B 106 48.521 35.215 38.782 1.00 0.00 O ATOM 1555 C1' A B 106 50.344 34.769 37.174 1.00 0.00 C ATOM 1556 N9 A B 106 50.317 35.861 36.169 1.00 0.00 N ATOM 1557 C8 A B 106 49.373 36.143 35.210 1.00 0.00 C ATOM 1558 N7 A B 106 49.674 37.157 34.437 1.00 0.00 N ATOM 1559 C5 A B 106 50.920 37.577 34.934 1.00 0.00 C ATOM 1560 C6 A B 106 51.848 38.597 34.592 1.00 0.00 C ATOM 1561 N6 A B 106 51.701 39.468 33.611 1.00 0.00 N ATOM 1562 N1 A B 106 52.989 38.751 35.267 1.00 0.00 N ATOM 1563 C2 A B 106 53.230 37.918 36.272 1.00 0.00 C ATOM 1564 N3 A B 106 52.466 36.921 36.710 1.00 0.00 N ATOM 1565 C4 A B 106 51.313 36.797 35.990 1.00 0.00 C ATOM 0 H5' A B 106 49.383 30.634 36.269 1.00 0.00 H new ATOM 0 H5'' A B 106 48.476 32.083 35.884 1.00 0.00 H new ATOM 0 H4' A B 106 50.962 31.740 37.500 1.00 0.00 H new ATOM 0 H3' A B 106 48.397 32.314 38.349 1.00 0.00 H new ATOM 0 H2' A B 106 48.160 34.424 37.016 1.00 0.00 H new ATOM 0 HO2' A B 106 48.344 36.109 38.421 1.00 0.00 H new ATOM 0 HO3' A B 106 49.828 33.788 39.909 1.00 0.00 H new ATOM 0 H1' A B 106 50.931 35.170 38.000 1.00 0.00 H new ATOM 0 H8 A B 106 48.460 35.576 35.103 1.00 0.00 H new ATOM 0 H61 A B 106 52.422 40.168 33.438 1.00 0.00 H new ATOM 0 H62 A B 106 50.866 39.441 33.026 1.00 0.00 H new ATOM 0 H2 A B 106 54.161 38.068 36.799 1.00 0.00 H new TER 1578 A B 106