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+ -143:sc= 1.28 (180deg=-0.401) USER MOD Set 1.2: B 104 U O2' : rot -27:sc= 0.737 USER MOD Single : A 0 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 120:sc= 0.471 USER MOD Single : A 8 SER OG : rot -160:sc= -0.033 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 -20:sc= -0.0315 USER MOD Single : A 14 ASN : amide:sc= 0.357 K(o=0.36,f=-2.2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 1.01 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 K(o=0,f=-0.59) USER MOD Single : A 37 CYS SG : rot -161:sc= -0.501 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0.722 (180deg=0.722) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0222) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 1.17 (180deg=1.14) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.031 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 101 A O2' : rot -19:sc= 0.281 USER MOD Single : B 101 A O5' : rot 45:sc= 0.762 USER MOD Single : B 102 C O2' : rot 132:sc= 1.13 USER MOD Single : B 103 A O2' : rot 29:sc= 0.0194 USER MOD Single : B 105 C O2' : rot 22:sc= 0.0437 USER MOD Single : B 106 A O2' : rot -26:sc= 0.185 USER MOD Single : B 106 A O3' : rot 180:sc= 0.172 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 16.868 50.760 40.669 1.00 0.00 N ATOM 2 CA GLY A -2 17.718 51.443 39.669 1.00 0.00 C ATOM 3 C GLY A -2 17.213 51.181 38.258 1.00 0.00 C ATOM 4 O GLY A -2 17.010 50.025 37.885 1.00 0.00 O ATOM 0 H1 GLY A -2 17.232 50.953 41.624 1.00 0.00 H new ATOM 0 H2 GLY A -2 15.892 51.111 40.593 1.00 0.00 H new ATOM 0 H3 GLY A -2 16.882 49.735 40.494 1.00 0.00 H new ATOM 0 HA2 GLY A -2 17.725 52.515 39.864 1.00 0.00 H new ATOM 0 HA3 GLY A -2 18.747 51.095 39.762 1.00 0.00 H new ATOM 10 N SER A -1 16.988 52.238 37.468 1.00 0.00 N ATOM 11 CA SER A -1 16.353 52.152 36.138 1.00 0.00 C ATOM 12 C SER A -1 17.231 51.446 35.093 1.00 0.00 C ATOM 13 O SER A -1 16.820 50.430 34.527 1.00 0.00 O ATOM 14 CB SER A -1 15.963 53.550 35.635 1.00 0.00 C ATOM 15 OG SER A -1 15.149 54.212 36.593 1.00 0.00 O ATOM 0 H SER A -1 17.243 53.189 37.733 1.00 0.00 H new ATOM 0 HA SER A -1 15.458 51.543 36.266 1.00 0.00 H new ATOM 0 HB2 SER A -1 16.861 54.138 35.443 1.00 0.00 H new ATOM 0 HB3 SER A -1 15.428 53.467 34.689 1.00 0.00 H new ATOM 0 HG SER A -1 14.910 55.102 36.260 1.00 0.00 H new ATOM 21 N HIS A 0 18.444 51.964 34.846 1.00 0.00 N ATOM 22 CA HIS A 0 19.359 51.505 33.781 1.00 0.00 C ATOM 23 C HIS A 0 20.848 51.485 34.190 1.00 0.00 C ATOM 24 O HIS A 0 21.710 51.280 33.331 1.00 0.00 O ATOM 25 CB HIS A 0 19.151 52.356 32.510 1.00 0.00 C ATOM 26 CG HIS A 0 17.724 52.433 32.010 1.00 0.00 C ATOM 27 ND1 HIS A 0 16.949 53.595 31.940 1.00 0.00 N ATOM 28 CD2 HIS A 0 16.979 51.380 31.566 1.00 0.00 C ATOM 29 CE1 HIS A 0 15.754 53.214 31.454 1.00 0.00 C ATOM 30 NE2 HIS A 0 15.744 51.889 31.223 1.00 0.00 N ATOM 0 H HIS A 0 18.829 52.734 35.394 1.00 0.00 H new ATOM 0 HA HIS A 0 19.102 50.465 33.582 1.00 0.00 H new ATOM 0 HB2 HIS A 0 19.504 53.368 32.708 1.00 0.00 H new ATOM 0 HB3 HIS A 0 19.776 51.950 31.715 1.00 0.00 H new ATOM 0 HD2 HIS A 0 17.295 50.349 31.497 1.00 0.00 H new ATOM 0 HE1 HIS A 0 14.921 53.878 31.275 1.00 0.00 H new ATOM 0 HE2 HIS A 0 14.958 51.352 30.857 1.00 0.00 H new ATOM 38 N MET A 1 21.147 51.677 35.484 1.00 0.00 N ATOM 39 CA MET A 1 22.485 51.851 36.089 1.00 0.00 C ATOM 40 C MET A 1 23.280 53.075 35.580 1.00 0.00 C ATOM 41 O MET A 1 23.009 53.643 34.520 1.00 0.00 O ATOM 42 CB MET A 1 23.308 50.544 36.044 1.00 0.00 C ATOM 43 CG MET A 1 22.905 49.531 37.122 1.00 0.00 C ATOM 44 SD MET A 1 21.260 48.778 36.958 1.00 0.00 S ATOM 45 CE MET A 1 21.302 47.699 38.416 1.00 0.00 C ATOM 0 H MET A 1 20.411 51.718 36.189 1.00 0.00 H new ATOM 0 HA MET A 1 22.291 52.085 37.136 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.192 50.084 35.063 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.365 50.785 36.160 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.646 48.732 37.132 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.958 50.026 38.091 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.365 47.146 38.487 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.131 46.997 38.326 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.435 48.304 39.313 1.00 0.00 H new ATOM 55 N VAL A 2 24.268 53.502 36.383 1.00 0.00 N ATOM 56 CA VAL A 2 25.082 54.720 36.164 1.00 0.00 C ATOM 57 C VAL A 2 26.596 54.449 36.101 1.00 0.00 C ATOM 58 O VAL A 2 27.345 55.268 35.568 1.00 0.00 O ATOM 59 CB VAL A 2 24.699 55.782 37.223 1.00 0.00 C ATOM 60 CG1 VAL A 2 25.117 55.390 38.647 1.00 0.00 C ATOM 61 CG2 VAL A 2 25.272 57.171 36.920 1.00 0.00 C ATOM 0 H VAL A 2 24.534 52.998 37.229 1.00 0.00 H new ATOM 0 HA VAL A 2 24.848 55.111 35.174 1.00 0.00 H new ATOM 0 HB VAL A 2 23.611 55.825 37.167 1.00 0.00 H new ATOM 0 HG11 VAL A 2 24.820 56.175 39.342 1.00 0.00 H new ATOM 0 HG12 VAL A 2 24.629 54.456 38.925 1.00 0.00 H new ATOM 0 HG13 VAL A 2 26.199 55.260 38.686 1.00 0.00 H new ATOM 0 HG21 VAL A 2 24.967 57.869 37.700 1.00 0.00 H new ATOM 0 HG22 VAL A 2 26.360 57.117 36.887 1.00 0.00 H new ATOM 0 HG23 VAL A 2 24.897 57.517 35.957 1.00 0.00 H new ATOM 71 N ILE A 3 27.069 53.301 36.599 1.00 0.00 N ATOM 72 CA ILE A 3 28.487 52.911 36.580 1.00 0.00 C ATOM 73 C ILE A 3 28.897 52.466 35.166 1.00 0.00 C ATOM 74 O ILE A 3 28.257 51.591 34.574 1.00 0.00 O ATOM 75 CB ILE A 3 28.772 51.830 37.657 1.00 0.00 C ATOM 76 CG1 ILE A 3 28.533 52.375 39.089 1.00 0.00 C ATOM 77 CG2 ILE A 3 30.227 51.330 37.560 1.00 0.00 C ATOM 78 CD1 ILE A 3 27.122 52.118 39.632 1.00 0.00 C ATOM 0 H ILE A 3 26.467 52.602 37.035 1.00 0.00 H new ATOM 0 HA ILE A 3 29.102 53.774 36.835 1.00 0.00 H new ATOM 0 HB ILE A 3 28.083 51.007 37.467 1.00 0.00 H new ATOM 0 HG12 ILE A 3 29.258 51.921 39.764 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.722 53.448 39.093 1.00 0.00 H new ATOM 0 HG21 ILE A 3 30.403 50.573 38.324 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.398 50.897 36.574 1.00 0.00 H new ATOM 0 HG23 ILE A 3 30.910 52.166 37.713 1.00 0.00 H new ATOM 0 HD11 ILE A 3 27.038 52.530 40.638 1.00 0.00 H new ATOM 0 HD12 ILE A 3 26.389 52.596 38.982 1.00 0.00 H new ATOM 0 HD13 ILE A 3 26.934 51.045 39.663 1.00 0.00 H new ATOM 90 N ARG A 4 29.971 53.062 34.625 1.00 0.00 N ATOM 91 CA ARG A 4 30.467 52.823 33.250 1.00 0.00 C ATOM 92 C ARG A 4 31.637 51.832 33.145 1.00 0.00 C ATOM 93 O ARG A 4 32.033 51.473 32.037 1.00 0.00 O ATOM 94 CB ARG A 4 30.823 54.165 32.569 1.00 0.00 C ATOM 95 CG ARG A 4 29.635 55.142 32.443 1.00 0.00 C ATOM 96 CD ARG A 4 29.702 56.285 33.465 1.00 0.00 C ATOM 97 NE ARG A 4 28.539 57.184 33.339 1.00 0.00 N ATOM 98 CZ ARG A 4 28.357 58.334 33.962 1.00 0.00 C ATOM 99 NH1 ARG A 4 29.254 58.846 34.757 1.00 0.00 N ATOM 100 NH2 ARG A 4 27.255 59.010 33.791 1.00 0.00 N ATOM 0 H ARG A 4 30.535 53.739 35.138 1.00 0.00 H new ATOM 0 HA ARG A 4 29.643 52.341 32.724 1.00 0.00 H new ATOM 0 HB2 ARG A 4 31.618 54.648 33.136 1.00 0.00 H new ATOM 0 HB3 ARG A 4 31.219 53.961 31.574 1.00 0.00 H new ATOM 0 HG2 ARG A 4 29.618 55.560 31.436 1.00 0.00 H new ATOM 0 HG3 ARG A 4 28.702 54.594 32.577 1.00 0.00 H new ATOM 0 HD2 ARG A 4 29.738 55.873 34.473 1.00 0.00 H new ATOM 0 HD3 ARG A 4 30.621 56.853 33.319 1.00 0.00 H new ATOM 0 HE ARG A 4 27.798 56.886 32.704 1.00 0.00 H new ATOM 0 HH11 ARG A 4 30.134 58.356 34.916 1.00 0.00 H new ATOM 0 HH12 ARG A 4 29.076 59.737 35.220 1.00 0.00 H new ATOM 0 HH21 ARG A 4 26.527 58.651 33.173 1.00 0.00 H new ATOM 0 HH22 ARG A 4 27.121 59.898 34.275 1.00 0.00 H new ATOM 114 N GLU A 5 32.197 51.382 34.271 1.00 0.00 N ATOM 115 CA GLU A 5 33.387 50.515 34.329 1.00 0.00 C ATOM 116 C GLU A 5 33.076 49.181 35.034 1.00 0.00 C ATOM 117 O GLU A 5 32.928 49.128 36.258 1.00 0.00 O ATOM 118 CB GLU A 5 34.548 51.302 34.970 1.00 0.00 C ATOM 119 CG GLU A 5 35.924 50.638 34.804 1.00 0.00 C ATOM 120 CD GLU A 5 36.201 49.511 35.816 1.00 0.00 C ATOM 121 OE1 GLU A 5 36.334 49.794 37.031 1.00 0.00 O ATOM 122 OE2 GLU A 5 36.334 48.337 35.391 1.00 0.00 O ATOM 0 H GLU A 5 31.829 51.614 35.194 1.00 0.00 H new ATOM 0 HA GLU A 5 33.697 50.234 33.322 1.00 0.00 H new ATOM 0 HB2 GLU A 5 34.583 52.299 34.531 1.00 0.00 H new ATOM 0 HB3 GLU A 5 34.344 51.428 36.033 1.00 0.00 H new ATOM 0 HG2 GLU A 5 36.002 50.233 33.795 1.00 0.00 H new ATOM 0 HG3 GLU A 5 36.698 51.399 34.903 1.00 0.00 H new ATOM 129 N SER A 6 32.941 48.107 34.249 1.00 0.00 N ATOM 130 CA SER A 6 32.697 46.722 34.689 1.00 0.00 C ATOM 131 C SER A 6 32.977 45.732 33.538 1.00 0.00 C ATOM 132 O SER A 6 33.252 46.157 32.412 1.00 0.00 O ATOM 133 CB SER A 6 31.246 46.589 35.178 1.00 0.00 C ATOM 134 OG SER A 6 31.017 45.351 35.838 1.00 0.00 O ATOM 0 H SER A 6 33.002 48.181 33.233 1.00 0.00 H new ATOM 0 HA SER A 6 33.372 46.482 35.510 1.00 0.00 H new ATOM 0 HB2 SER A 6 31.016 47.410 35.857 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.568 46.678 34.329 1.00 0.00 H new ATOM 0 HG SER A 6 30.730 45.520 36.760 1.00 0.00 H new ATOM 140 N VAL A 7 32.880 44.422 33.792 1.00 0.00 N ATOM 141 CA VAL A 7 32.923 43.352 32.773 1.00 0.00 C ATOM 142 C VAL A 7 31.722 42.419 32.925 1.00 0.00 C ATOM 143 O VAL A 7 31.390 41.982 34.029 1.00 0.00 O ATOM 144 CB VAL A 7 34.248 42.562 32.772 1.00 0.00 C ATOM 145 CG1 VAL A 7 35.418 43.452 32.334 1.00 0.00 C ATOM 146 CG2 VAL A 7 34.604 41.917 34.121 1.00 0.00 C ATOM 0 H VAL A 7 32.766 44.060 34.739 1.00 0.00 H new ATOM 0 HA VAL A 7 32.869 43.843 31.802 1.00 0.00 H new ATOM 0 HB VAL A 7 34.085 41.753 32.059 1.00 0.00 H new ATOM 0 HG11 VAL A 7 36.340 42.871 32.342 1.00 0.00 H new ATOM 0 HG12 VAL A 7 35.233 43.826 31.327 1.00 0.00 H new ATOM 0 HG13 VAL A 7 35.513 44.293 33.021 1.00 0.00 H new ATOM 0 HG21 VAL A 7 35.549 41.382 34.030 1.00 0.00 H new ATOM 0 HG22 VAL A 7 34.697 42.692 34.882 1.00 0.00 H new ATOM 0 HG23 VAL A 7 33.818 41.219 34.409 1.00 0.00 H new ATOM 156 N SER A 8 31.052 42.119 31.811 1.00 0.00 N ATOM 157 CA SER A 8 29.918 41.191 31.754 1.00 0.00 C ATOM 158 C SER A 8 30.389 39.740 31.591 1.00 0.00 C ATOM 159 O SER A 8 31.542 39.484 31.239 1.00 0.00 O ATOM 160 CB SER A 8 28.983 41.616 30.622 1.00 0.00 C ATOM 161 OG SER A 8 27.846 40.774 30.582 1.00 0.00 O ATOM 0 H SER A 8 31.286 42.522 30.904 1.00 0.00 H new ATOM 0 HA SER A 8 29.372 41.232 32.696 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.673 42.651 30.767 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.511 41.572 29.669 1.00 0.00 H new ATOM 0 HG SER A 8 27.425 40.834 29.699 1.00 0.00 H new ATOM 167 N ARG A 9 29.508 38.766 31.836 1.00 0.00 N ATOM 168 CA ARG A 9 29.802 37.330 31.744 1.00 0.00 C ATOM 169 C ARG A 9 28.608 36.512 31.245 1.00 0.00 C ATOM 170 O ARG A 9 27.470 36.969 31.300 1.00 0.00 O ATOM 171 CB ARG A 9 30.293 36.798 33.109 1.00 0.00 C ATOM 172 CG ARG A 9 31.817 36.829 33.333 1.00 0.00 C ATOM 173 CD ARG A 9 32.365 38.062 34.069 1.00 0.00 C ATOM 174 NE ARG A 9 32.075 38.064 35.518 1.00 0.00 N ATOM 175 CZ ARG A 9 32.694 37.362 36.453 1.00 0.00 C ATOM 176 NH1 ARG A 9 33.550 36.423 36.181 1.00 0.00 N ATOM 177 NH2 ARG A 9 32.480 37.597 37.714 1.00 0.00 N ATOM 0 H ARG A 9 28.545 38.958 32.111 1.00 0.00 H new ATOM 0 HA ARG A 9 30.593 37.212 31.003 1.00 0.00 H new ATOM 0 HB2 ARG A 9 29.817 37.381 33.897 1.00 0.00 H new ATOM 0 HB3 ARG A 9 29.949 35.770 33.222 1.00 0.00 H new ATOM 0 HG2 ARG A 9 32.100 35.939 33.896 1.00 0.00 H new ATOM 0 HG3 ARG A 9 32.308 36.762 32.362 1.00 0.00 H new ATOM 0 HD2 ARG A 9 33.444 38.112 33.923 1.00 0.00 H new ATOM 0 HD3 ARG A 9 31.941 38.960 33.621 1.00 0.00 H new ATOM 0 HE ARG A 9 31.317 38.671 35.830 1.00 0.00 H new ATOM 0 HH11 ARG A 9 33.771 36.199 35.211 1.00 0.00 H new ATOM 0 HH12 ARG A 9 34.001 35.910 36.938 1.00 0.00 H new ATOM 0 HH21 ARG A 9 31.828 38.330 37.993 1.00 0.00 H new ATOM 0 HH22 ARG A 9 32.964 37.048 38.424 1.00 0.00 H new ATOM 191 N ILE A 10 28.858 35.267 30.838 1.00 0.00 N ATOM 192 CA ILE A 10 27.846 34.202 30.795 1.00 0.00 C ATOM 193 C ILE A 10 28.303 33.046 31.690 1.00 0.00 C ATOM 194 O ILE A 10 29.415 32.535 31.524 1.00 0.00 O ATOM 195 CB ILE A 10 27.541 33.693 29.364 1.00 0.00 C ATOM 196 CG1 ILE A 10 27.436 34.797 28.282 1.00 0.00 C ATOM 197 CG2 ILE A 10 26.228 32.887 29.395 1.00 0.00 C ATOM 198 CD1 ILE A 10 28.765 34.968 27.534 1.00 0.00 C ATOM 0 H ILE A 10 29.780 34.962 30.524 1.00 0.00 H new ATOM 0 HA ILE A 10 26.911 34.626 31.162 1.00 0.00 H new ATOM 0 HB ILE A 10 28.395 33.081 29.074 1.00 0.00 H new ATOM 0 HG12 ILE A 10 26.647 34.542 27.574 1.00 0.00 H new ATOM 0 HG13 ILE A 10 27.154 35.741 28.748 1.00 0.00 H new ATOM 0 HG21 ILE A 10 26.001 32.522 28.393 1.00 0.00 H new ATOM 0 HG22 ILE A 10 26.337 32.041 30.073 1.00 0.00 H new ATOM 0 HG23 ILE A 10 25.416 33.527 29.741 1.00 0.00 H new ATOM 0 HD11 ILE A 10 28.661 35.749 26.781 1.00 0.00 H new ATOM 0 HD12 ILE A 10 29.547 35.247 28.240 1.00 0.00 H new ATOM 0 HD13 ILE A 10 29.033 34.030 27.048 1.00 0.00 H new ATOM 210 N TYR A 11 27.443 32.616 32.615 1.00 0.00 N ATOM 211 CA TYR A 11 27.538 31.302 33.251 1.00 0.00 C ATOM 212 C TYR A 11 26.744 30.275 32.431 1.00 0.00 C ATOM 213 O TYR A 11 25.554 30.480 32.176 1.00 0.00 O ATOM 214 CB TYR A 11 27.002 31.360 34.688 1.00 0.00 C ATOM 215 CG TYR A 11 26.880 29.993 35.342 1.00 0.00 C ATOM 216 CD1 TYR A 11 28.031 29.230 35.619 1.00 0.00 C ATOM 217 CD2 TYR A 11 25.606 29.462 35.618 1.00 0.00 C ATOM 218 CE1 TYR A 11 27.909 27.937 36.164 1.00 0.00 C ATOM 219 CE2 TYR A 11 25.483 28.184 36.186 1.00 0.00 C ATOM 220 CZ TYR A 11 26.628 27.409 36.446 1.00 0.00 C ATOM 221 OH TYR A 11 26.482 26.162 36.968 1.00 0.00 O ATOM 0 H TYR A 11 26.656 33.174 32.946 1.00 0.00 H new ATOM 0 HA TYR A 11 28.585 31.002 33.288 1.00 0.00 H new ATOM 0 HB2 TYR A 11 27.662 31.985 35.289 1.00 0.00 H new ATOM 0 HB3 TYR A 11 26.024 31.841 34.684 1.00 0.00 H new ATOM 0 HD1 TYR A 11 29.010 29.637 35.413 1.00 0.00 H new ATOM 0 HD2 TYR A 11 24.721 30.039 35.392 1.00 0.00 H new ATOM 0 HE1 TYR A 11 28.793 27.350 36.366 1.00 0.00 H new ATOM 0 HE2 TYR A 11 24.505 27.794 36.425 1.00 0.00 H new ATOM 0 HH TYR A 11 27.294 25.640 36.800 1.00 0.00 H new ATOM 231 N VAL A 12 27.375 29.157 32.068 1.00 0.00 N ATOM 232 CA VAL A 12 26.682 27.979 31.528 1.00 0.00 C ATOM 233 C VAL A 12 27.249 26.694 32.143 1.00 0.00 C ATOM 234 O VAL A 12 28.457 26.458 32.135 1.00 0.00 O ATOM 235 CB VAL A 12 26.632 27.980 29.985 1.00 0.00 C ATOM 236 CG1 VAL A 12 28.011 27.966 29.320 1.00 0.00 C ATOM 237 CG2 VAL A 12 25.843 26.784 29.435 1.00 0.00 C ATOM 0 H VAL A 12 28.386 29.040 32.139 1.00 0.00 H new ATOM 0 HA VAL A 12 25.635 28.025 31.827 1.00 0.00 H new ATOM 0 HB VAL A 12 26.134 28.918 29.739 1.00 0.00 H new ATOM 0 HG11 VAL A 12 27.892 27.968 28.236 1.00 0.00 H new ATOM 0 HG12 VAL A 12 28.571 28.850 29.625 1.00 0.00 H new ATOM 0 HG13 VAL A 12 28.553 27.070 29.624 1.00 0.00 H new ATOM 0 HG21 VAL A 12 25.833 26.824 28.346 1.00 0.00 H new ATOM 0 HG22 VAL A 12 26.315 25.857 29.760 1.00 0.00 H new ATOM 0 HG23 VAL A 12 24.820 26.820 29.809 1.00 0.00 H new ATOM 247 N GLY A 13 26.361 25.879 32.704 1.00 0.00 N ATOM 248 CA GLY A 13 26.667 24.652 33.438 1.00 0.00 C ATOM 249 C GLY A 13 25.881 23.444 32.938 1.00 0.00 C ATOM 250 O GLY A 13 24.968 23.571 32.115 1.00 0.00 O ATOM 0 H GLY A 13 25.359 26.064 32.658 1.00 0.00 H new ATOM 0 HA2 GLY A 13 27.734 24.443 33.356 1.00 0.00 H new ATOM 0 HA3 GLY A 13 26.452 24.805 34.496 1.00 0.00 H new ATOM 254 N ASN A 14 26.258 22.260 33.432 1.00 0.00 N ATOM 255 CA ASN A 14 25.696 20.968 33.017 1.00 0.00 C ATOM 256 C ASN A 14 25.707 20.782 31.476 1.00 0.00 C ATOM 257 O ASN A 14 24.790 20.185 30.915 1.00 0.00 O ATOM 258 CB ASN A 14 24.300 20.765 33.660 1.00 0.00 C ATOM 259 CG ASN A 14 24.267 20.951 35.170 1.00 0.00 C ATOM 260 OD1 ASN A 14 23.591 21.822 35.705 1.00 0.00 O ATOM 261 ND2 ASN A 14 24.988 20.143 35.914 1.00 0.00 N ATOM 0 H ASN A 14 26.979 22.170 34.148 1.00 0.00 H new ATOM 0 HA ASN A 14 26.342 20.173 33.390 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.599 21.465 33.205 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.947 19.761 33.423 1.00 0.00 H new ATOM 0 HD21 ASN A 14 24.982 20.243 36.929 1.00 0.00 H new ATOM 0 HD22 ASN A 14 25.553 19.415 35.477 1.00 0.00 H new ATOM 268 N LEU A 15 26.710 21.357 30.797 1.00 0.00 N ATOM 269 CA LEU A 15 26.744 21.562 29.338 1.00 0.00 C ATOM 270 C LEU A 15 26.812 20.246 28.525 1.00 0.00 C ATOM 271 O LEU A 15 27.295 19.232 29.043 1.00 0.00 O ATOM 272 CB LEU A 15 27.871 22.572 29.016 1.00 0.00 C ATOM 273 CG LEU A 15 29.315 22.119 29.317 1.00 0.00 C ATOM 274 CD1 LEU A 15 29.957 21.314 28.184 1.00 0.00 C ATOM 275 CD2 LEU A 15 30.189 23.352 29.551 1.00 0.00 C ATOM 0 H LEU A 15 27.549 21.704 31.262 1.00 0.00 H new ATOM 0 HA LEU A 15 25.795 21.988 29.013 1.00 0.00 H new ATOM 0 HB2 LEU A 15 27.808 22.826 27.958 1.00 0.00 H new ATOM 0 HB3 LEU A 15 27.678 23.487 29.576 1.00 0.00 H new ATOM 0 HG LEU A 15 29.253 21.475 30.194 1.00 0.00 H new ATOM 0 HD11 LEU A 15 30.971 21.031 28.468 1.00 0.00 H new ATOM 0 HD12 LEU A 15 29.368 20.416 27.997 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.990 21.921 27.280 1.00 0.00 H new ATOM 0 HD21 LEU A 15 31.211 23.038 29.764 1.00 0.00 H new ATOM 0 HD22 LEU A 15 30.180 23.979 28.659 1.00 0.00 H new ATOM 0 HD23 LEU A 15 29.799 23.919 30.397 1.00 0.00 H new ATOM 287 N PRO A 16 26.341 20.229 27.260 1.00 0.00 N ATOM 288 CA PRO A 16 26.286 19.014 26.446 1.00 0.00 C ATOM 289 C PRO A 16 27.675 18.602 25.934 1.00 0.00 C ATOM 290 O PRO A 16 28.467 19.447 25.506 1.00 0.00 O ATOM 291 CB PRO A 16 25.323 19.338 25.300 1.00 0.00 C ATOM 292 CG PRO A 16 25.519 20.838 25.093 1.00 0.00 C ATOM 293 CD PRO A 16 25.806 21.358 26.502 1.00 0.00 C ATOM 0 HA PRO A 16 25.940 18.159 27.027 1.00 0.00 H new ATOM 0 HB2 PRO A 16 25.564 18.772 24.400 1.00 0.00 H new ATOM 0 HB3 PRO A 16 24.292 19.099 25.561 1.00 0.00 H new ATOM 0 HG2 PRO A 16 26.345 21.045 24.413 1.00 0.00 H new ATOM 0 HG3 PRO A 16 24.631 21.304 24.666 1.00 0.00 H new ATOM 0 HD2 PRO A 16 26.521 22.180 26.474 1.00 0.00 H new ATOM 0 HD3 PRO A 16 24.898 21.742 26.967 1.00 0.00 H new ATOM 301 N SER A 17 27.962 17.295 25.952 1.00 0.00 N ATOM 302 CA SER A 17 29.247 16.699 25.540 1.00 0.00 C ATOM 303 C SER A 17 30.446 17.426 26.187 1.00 0.00 C ATOM 304 O SER A 17 30.579 17.401 27.413 1.00 0.00 O ATOM 305 CB SER A 17 29.331 16.574 24.008 1.00 0.00 C ATOM 306 OG SER A 17 28.257 15.779 23.514 1.00 0.00 O ATOM 0 H SER A 17 27.287 16.597 26.263 1.00 0.00 H new ATOM 0 HA SER A 17 29.299 15.679 25.922 1.00 0.00 H new ATOM 0 HB2 SER A 17 29.297 17.564 23.554 1.00 0.00 H new ATOM 0 HB3 SER A 17 30.283 16.126 23.725 1.00 0.00 H new ATOM 0 HG SER A 17 28.323 15.710 22.539 1.00 0.00 H new ATOM 312 N HIS A 18 31.290 18.109 25.400 1.00 0.00 N ATOM 313 CA HIS A 18 32.256 19.104 25.884 1.00 0.00 C ATOM 314 C HIS A 18 32.486 20.171 24.803 1.00 0.00 C ATOM 315 O HIS A 18 32.968 19.856 23.713 1.00 0.00 O ATOM 316 CB HIS A 18 33.568 18.416 26.289 1.00 0.00 C ATOM 317 CG HIS A 18 34.501 19.343 27.023 1.00 0.00 C ATOM 318 ND1 HIS A 18 34.398 19.683 28.377 1.00 0.00 N ATOM 319 CD2 HIS A 18 35.552 20.017 26.475 1.00 0.00 C ATOM 320 CE1 HIS A 18 35.405 20.540 28.615 1.00 0.00 C ATOM 321 NE2 HIS A 18 36.110 20.758 27.493 1.00 0.00 N ATOM 0 H HIS A 18 31.320 17.982 24.388 1.00 0.00 H new ATOM 0 HA HIS A 18 31.858 19.600 26.769 1.00 0.00 H new ATOM 0 HB2 HIS A 18 33.344 17.556 26.920 1.00 0.00 H new ATOM 0 HB3 HIS A 18 34.066 18.036 25.397 1.00 0.00 H new ATOM 0 HD2 HIS A 18 35.881 19.978 25.447 1.00 0.00 H new ATOM 0 HE1 HIS A 18 35.618 20.990 29.573 1.00 0.00 H new ATOM 0 HE2 HIS A 18 36.922 21.369 27.409 1.00 0.00 H new ATOM 329 N VAL A 19 32.106 21.424 25.077 1.00 0.00 N ATOM 330 CA VAL A 19 32.167 22.526 24.094 1.00 0.00 C ATOM 331 C VAL A 19 33.580 23.109 23.955 1.00 0.00 C ATOM 332 O VAL A 19 34.271 23.337 24.947 1.00 0.00 O ATOM 333 CB VAL A 19 31.141 23.639 24.398 1.00 0.00 C ATOM 334 CG1 VAL A 19 29.705 23.108 24.282 1.00 0.00 C ATOM 335 CG2 VAL A 19 31.325 24.309 25.767 1.00 0.00 C ATOM 0 H VAL A 19 31.746 21.709 25.988 1.00 0.00 H new ATOM 0 HA VAL A 19 31.900 22.084 23.134 1.00 0.00 H new ATOM 0 HB VAL A 19 31.324 24.405 23.645 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.001 23.911 24.501 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.533 22.741 23.270 1.00 0.00 H new ATOM 0 HG13 VAL A 19 29.559 22.294 24.993 1.00 0.00 H new ATOM 0 HG21 VAL A 19 30.564 25.078 25.901 1.00 0.00 H new ATOM 0 HG22 VAL A 19 31.227 23.561 26.554 1.00 0.00 H new ATOM 0 HG23 VAL A 19 32.314 24.764 25.819 1.00 0.00 H new ATOM 345 N SER A 20 34.000 23.393 22.720 1.00 0.00 N ATOM 346 CA SER A 20 35.225 24.151 22.424 1.00 0.00 C ATOM 347 C SER A 20 34.985 25.654 22.585 1.00 0.00 C ATOM 348 O SER A 20 33.999 26.184 22.066 1.00 0.00 O ATOM 349 CB SER A 20 35.719 23.863 21.002 1.00 0.00 C ATOM 350 OG SER A 20 36.047 22.487 20.862 1.00 0.00 O ATOM 0 H SER A 20 33.494 23.100 21.884 1.00 0.00 H new ATOM 0 HA SER A 20 35.988 23.832 23.134 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.949 24.135 20.280 1.00 0.00 H new ATOM 0 HB3 SER A 20 36.593 24.476 20.782 1.00 0.00 H new ATOM 0 HG SER A 20 36.359 22.316 19.949 1.00 0.00 H new ATOM 356 N SER A 21 35.895 26.365 23.259 1.00 0.00 N ATOM 357 CA SER A 21 35.725 27.787 23.615 1.00 0.00 C ATOM 358 C SER A 21 35.478 28.704 22.404 1.00 0.00 C ATOM 359 O SER A 21 34.681 29.640 22.498 1.00 0.00 O ATOM 360 CB SER A 21 36.944 28.278 24.407 1.00 0.00 C ATOM 361 OG SER A 21 38.146 28.146 23.662 1.00 0.00 O ATOM 0 H SER A 21 36.780 25.971 23.578 1.00 0.00 H new ATOM 0 HA SER A 21 34.826 27.844 24.229 1.00 0.00 H new ATOM 0 HB2 SER A 21 36.801 29.323 24.684 1.00 0.00 H new ATOM 0 HB3 SER A 21 37.027 27.711 25.334 1.00 0.00 H new ATOM 0 HG SER A 21 38.900 28.470 24.198 1.00 0.00 H new ATOM 367 N ARG A 22 36.095 28.398 21.252 1.00 0.00 N ATOM 368 CA ARG A 22 35.950 29.158 19.996 1.00 0.00 C ATOM 369 C ARG A 22 34.543 29.060 19.394 1.00 0.00 C ATOM 370 O ARG A 22 34.054 30.018 18.800 1.00 0.00 O ATOM 371 CB ARG A 22 36.971 28.684 18.944 1.00 0.00 C ATOM 372 CG ARG A 22 38.445 28.590 19.388 1.00 0.00 C ATOM 373 CD ARG A 22 38.918 27.160 19.712 1.00 0.00 C ATOM 374 NE ARG A 22 38.892 26.839 21.154 1.00 0.00 N ATOM 375 CZ ARG A 22 39.247 25.690 21.704 1.00 0.00 C ATOM 376 NH1 ARG A 22 39.570 24.644 21.001 1.00 0.00 N ATOM 377 NH2 ARG A 22 39.274 25.581 22.999 1.00 0.00 N ATOM 0 H ARG A 22 36.722 27.599 21.164 1.00 0.00 H new ATOM 0 HA ARG A 22 36.134 30.200 20.259 1.00 0.00 H new ATOM 0 HB2 ARG A 22 36.661 27.701 18.591 1.00 0.00 H new ATOM 0 HB3 ARG A 22 36.917 29.361 18.091 1.00 0.00 H new ATOM 0 HG2 ARG A 22 39.077 29.000 18.600 1.00 0.00 H new ATOM 0 HG3 ARG A 22 38.588 29.216 20.269 1.00 0.00 H new ATOM 0 HD2 ARG A 22 38.287 26.449 19.179 1.00 0.00 H new ATOM 0 HD3 ARG A 22 39.933 27.029 19.338 1.00 0.00 H new ATOM 0 HE ARG A 22 38.570 27.573 21.785 1.00 0.00 H new ATOM 0 HH11 ARG A 22 39.556 24.690 19.982 1.00 0.00 H new ATOM 0 HH12 ARG A 22 39.838 23.778 21.469 1.00 0.00 H new ATOM 0 HH21 ARG A 22 39.022 26.378 23.583 1.00 0.00 H new ATOM 0 HH22 ARG A 22 39.547 24.698 23.431 1.00 0.00 H new ATOM 391 N ASP A 23 33.884 27.912 19.554 1.00 0.00 N ATOM 392 CA ASP A 23 32.560 27.648 18.977 1.00 0.00 C ATOM 393 C ASP A 23 31.452 28.381 19.745 1.00 0.00 C ATOM 394 O ASP A 23 30.542 28.942 19.131 1.00 0.00 O ATOM 395 CB ASP A 23 32.277 26.135 18.935 1.00 0.00 C ATOM 396 CG ASP A 23 33.230 25.310 18.050 1.00 0.00 C ATOM 397 OD1 ASP A 23 34.020 25.878 17.257 1.00 0.00 O ATOM 398 OD2 ASP A 23 33.168 24.060 18.128 1.00 0.00 O ATOM 0 H ASP A 23 34.256 27.130 20.093 1.00 0.00 H new ATOM 0 HA ASP A 23 32.565 28.031 17.957 1.00 0.00 H new ATOM 0 HB2 ASP A 23 32.324 25.745 19.952 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.257 25.983 18.582 1.00 0.00 H new ATOM 403 N VAL A 24 31.543 28.436 21.079 1.00 0.00 N ATOM 404 CA VAL A 24 30.592 29.205 21.904 1.00 0.00 C ATOM 405 C VAL A 24 30.842 30.714 21.778 1.00 0.00 C ATOM 406 O VAL A 24 29.893 31.497 21.741 1.00 0.00 O ATOM 407 CB VAL A 24 30.588 28.783 23.389 1.00 0.00 C ATOM 408 CG1 VAL A 24 29.173 28.963 23.951 1.00 0.00 C ATOM 409 CG2 VAL A 24 30.982 27.324 23.646 1.00 0.00 C ATOM 0 H VAL A 24 32.266 27.957 21.615 1.00 0.00 H new ATOM 0 HA VAL A 24 29.603 28.973 21.510 1.00 0.00 H new ATOM 0 HB VAL A 24 31.335 29.414 23.870 1.00 0.00 H new ATOM 0 HG11 VAL A 24 29.158 28.668 25.000 1.00 0.00 H new ATOM 0 HG12 VAL A 24 28.877 30.008 23.864 1.00 0.00 H new ATOM 0 HG13 VAL A 24 28.476 28.341 23.389 1.00 0.00 H new ATOM 0 HG21 VAL A 24 30.950 27.122 24.717 1.00 0.00 H new ATOM 0 HG22 VAL A 24 30.285 26.663 23.131 1.00 0.00 H new ATOM 0 HG23 VAL A 24 31.991 27.149 23.274 1.00 0.00 H new ATOM 419 N GLU A 25 32.099 31.140 21.606 1.00 0.00 N ATOM 420 CA GLU A 25 32.438 32.515 21.211 1.00 0.00 C ATOM 421 C GLU A 25 31.745 32.912 19.894 1.00 0.00 C ATOM 422 O GLU A 25 31.178 34.000 19.814 1.00 0.00 O ATOM 423 CB GLU A 25 33.970 32.666 21.127 1.00 0.00 C ATOM 424 CG GLU A 25 34.423 33.859 20.268 1.00 0.00 C ATOM 425 CD GLU A 25 35.940 34.117 20.264 1.00 0.00 C ATOM 426 OE1 GLU A 25 36.726 33.396 20.926 1.00 0.00 O ATOM 427 OE2 GLU A 25 36.345 35.060 19.542 1.00 0.00 O ATOM 0 H GLU A 25 32.913 30.540 21.737 1.00 0.00 H new ATOM 0 HA GLU A 25 32.067 33.202 21.971 1.00 0.00 H new ATOM 0 HB2 GLU A 25 34.372 32.780 22.134 1.00 0.00 H new ATOM 0 HB3 GLU A 25 34.395 31.750 20.716 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.095 33.694 19.242 1.00 0.00 H new ATOM 0 HG3 GLU A 25 33.918 34.757 20.624 1.00 0.00 H new ATOM 434 N ASN A 26 31.753 32.043 18.877 1.00 0.00 N ATOM 435 CA ASN A 26 31.127 32.316 17.578 1.00 0.00 C ATOM 436 C ASN A 26 29.591 32.480 17.673 1.00 0.00 C ATOM 437 O ASN A 26 29.007 33.246 16.906 1.00 0.00 O ATOM 438 CB ASN A 26 31.528 31.202 16.598 1.00 0.00 C ATOM 439 CG ASN A 26 31.112 31.524 15.172 1.00 0.00 C ATOM 440 OD1 ASN A 26 31.502 32.532 14.596 1.00 0.00 O ATOM 441 ND2 ASN A 26 30.315 30.684 14.550 1.00 0.00 N ATOM 0 H ASN A 26 32.196 31.126 18.932 1.00 0.00 H new ATOM 0 HA ASN A 26 31.491 33.275 17.210 1.00 0.00 H new ATOM 0 HB2 ASN A 26 32.607 31.056 16.637 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.068 30.264 16.907 1.00 0.00 H new ATOM 0 HD21 ASN A 26 30.023 30.873 13.591 1.00 0.00 H new ATOM 0 HD22 ASN A 26 29.988 29.843 15.026 1.00 0.00 H new ATOM 448 N GLU A 27 28.938 31.806 18.624 1.00 0.00 N ATOM 449 CA GLU A 27 27.523 32.021 18.968 1.00 0.00 C ATOM 450 C GLU A 27 27.308 33.375 19.673 1.00 0.00 C ATOM 451 O GLU A 27 26.434 34.154 19.283 1.00 0.00 O ATOM 452 CB GLU A 27 27.033 30.839 19.832 1.00 0.00 C ATOM 453 CG GLU A 27 25.637 30.966 20.474 1.00 0.00 C ATOM 454 CD GLU A 27 24.443 30.751 19.519 1.00 0.00 C ATOM 455 OE1 GLU A 27 24.584 30.875 18.277 1.00 0.00 O ATOM 456 OE2 GLU A 27 23.339 30.449 20.033 1.00 0.00 O ATOM 0 H GLU A 27 29.383 31.082 19.188 1.00 0.00 H new ATOM 0 HA GLU A 27 26.933 32.060 18.052 1.00 0.00 H new ATOM 0 HB2 GLU A 27 27.039 29.942 19.212 1.00 0.00 H new ATOM 0 HB3 GLU A 27 27.758 30.680 20.630 1.00 0.00 H new ATOM 0 HG2 GLU A 27 25.564 30.244 21.287 1.00 0.00 H new ATOM 0 HG3 GLU A 27 25.550 31.957 20.919 1.00 0.00 H new ATOM 463 N PHE A 28 28.107 33.682 20.704 1.00 0.00 N ATOM 464 CA PHE A 28 27.922 34.872 21.544 1.00 0.00 C ATOM 465 C PHE A 28 28.316 36.202 20.878 1.00 0.00 C ATOM 466 O PHE A 28 27.655 37.212 21.130 1.00 0.00 O ATOM 467 CB PHE A 28 28.692 34.693 22.866 1.00 0.00 C ATOM 468 CG PHE A 28 28.074 33.723 23.860 1.00 0.00 C ATOM 469 CD1 PHE A 28 26.708 33.818 24.211 1.00 0.00 C ATOM 470 CD2 PHE A 28 28.878 32.757 24.493 1.00 0.00 C ATOM 471 CE1 PHE A 28 26.148 32.926 25.142 1.00 0.00 C ATOM 472 CE2 PHE A 28 28.322 31.883 25.445 1.00 0.00 C ATOM 473 CZ PHE A 28 26.955 31.954 25.757 1.00 0.00 C ATOM 0 H PHE A 28 28.904 33.108 20.980 1.00 0.00 H new ATOM 0 HA PHE A 28 26.849 34.948 21.722 1.00 0.00 H new ATOM 0 HB2 PHE A 28 29.702 34.354 22.634 1.00 0.00 H new ATOM 0 HB3 PHE A 28 28.785 35.667 23.346 1.00 0.00 H new ATOM 0 HD1 PHE A 28 26.090 34.581 23.761 1.00 0.00 H new ATOM 0 HD2 PHE A 28 29.927 32.686 24.247 1.00 0.00 H new ATOM 0 HE1 PHE A 28 25.097 32.988 25.385 1.00 0.00 H new ATOM 0 HE2 PHE A 28 28.949 31.155 25.938 1.00 0.00 H new ATOM 0 HZ PHE A 28 26.525 31.264 26.468 1.00 0.00 H new ATOM 483 N ARG A 29 29.353 36.235 20.025 1.00 0.00 N ATOM 484 CA ARG A 29 29.977 37.488 19.537 1.00 0.00 C ATOM 485 C ARG A 29 29.040 38.467 18.807 1.00 0.00 C ATOM 486 O ARG A 29 29.352 39.656 18.736 1.00 0.00 O ATOM 487 CB ARG A 29 31.234 37.185 18.697 1.00 0.00 C ATOM 488 CG ARG A 29 30.962 36.375 17.416 1.00 0.00 C ATOM 489 CD ARG A 29 32.131 36.378 16.422 1.00 0.00 C ATOM 490 NE ARG A 29 33.412 35.898 16.987 1.00 0.00 N ATOM 491 CZ ARG A 29 34.526 35.708 16.295 1.00 0.00 C ATOM 492 NH1 ARG A 29 34.563 35.842 14.997 1.00 0.00 N ATOM 493 NH2 ARG A 29 35.645 35.387 16.875 1.00 0.00 N ATOM 0 H ARG A 29 29.788 35.392 19.650 1.00 0.00 H new ATOM 0 HA ARG A 29 30.259 38.022 20.445 1.00 0.00 H new ATOM 0 HB2 ARG A 29 31.709 38.127 18.423 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.946 36.637 19.315 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.733 35.345 17.690 1.00 0.00 H new ATOM 0 HG3 ARG A 29 30.077 36.778 16.923 1.00 0.00 H new ATOM 0 HD2 ARG A 29 31.868 35.754 15.568 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.270 37.392 16.046 1.00 0.00 H new ATOM 0 HE ARG A 29 33.439 35.698 17.987 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.718 36.100 14.487 1.00 0.00 H new ATOM 0 HH12 ARG A 29 35.437 35.689 14.493 1.00 0.00 H new ATOM 0 HH21 ARG A 29 35.681 35.275 17.888 1.00 0.00 H new ATOM 0 HH22 ARG A 29 36.487 35.247 16.317 1.00 0.00 H new ATOM 507 N LYS A 30 27.887 38.011 18.295 1.00 0.00 N ATOM 508 CA LYS A 30 26.887 38.876 17.636 1.00 0.00 C ATOM 509 C LYS A 30 26.175 39.829 18.618 1.00 0.00 C ATOM 510 O LYS A 30 25.803 40.937 18.230 1.00 0.00 O ATOM 511 CB LYS A 30 25.929 38.016 16.777 1.00 0.00 C ATOM 512 CG LYS A 30 24.654 37.503 17.477 1.00 0.00 C ATOM 513 CD LYS A 30 23.468 38.469 17.279 1.00 0.00 C ATOM 514 CE LYS A 30 22.332 38.160 18.256 1.00 0.00 C ATOM 515 NZ LYS A 30 21.205 39.118 18.100 1.00 0.00 N ATOM 0 H LYS A 30 27.617 37.028 18.325 1.00 0.00 H new ATOM 0 HA LYS A 30 27.407 39.551 16.956 1.00 0.00 H new ATOM 0 HB2 LYS A 30 25.629 38.602 15.908 1.00 0.00 H new ATOM 0 HB3 LYS A 30 26.484 37.155 16.404 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.393 36.520 17.084 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.848 37.379 18.542 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.805 39.496 17.422 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.101 38.393 16.255 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.973 37.144 18.090 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.708 38.202 19.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.452 38.881 18.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.543 40.084 18.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.831 39.060 17.131 1.00 0.00 H new ATOM 529 N TYR A 31 26.007 39.421 19.882 1.00 0.00 N ATOM 530 CA TYR A 31 25.381 40.227 20.949 1.00 0.00 C ATOM 531 C TYR A 31 26.316 41.307 21.526 1.00 0.00 C ATOM 532 O TYR A 31 25.852 42.269 22.142 1.00 0.00 O ATOM 533 CB TYR A 31 24.926 39.293 22.077 1.00 0.00 C ATOM 534 CG TYR A 31 23.760 38.386 21.725 1.00 0.00 C ATOM 535 CD1 TYR A 31 22.442 38.873 21.855 1.00 0.00 C ATOM 536 CD2 TYR A 31 23.981 37.056 21.317 1.00 0.00 C ATOM 537 CE1 TYR A 31 21.348 38.028 21.587 1.00 0.00 C ATOM 538 CE2 TYR A 31 22.888 36.209 21.047 1.00 0.00 C ATOM 539 CZ TYR A 31 21.568 36.692 21.188 1.00 0.00 C ATOM 540 OH TYR A 31 20.500 35.896 20.916 1.00 0.00 O ATOM 0 H TYR A 31 26.308 38.501 20.203 1.00 0.00 H new ATOM 0 HA TYR A 31 24.535 40.750 20.503 1.00 0.00 H new ATOM 0 HB2 TYR A 31 25.771 38.674 22.379 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.649 39.898 22.940 1.00 0.00 H new ATOM 0 HD1 TYR A 31 22.272 39.895 22.160 1.00 0.00 H new ATOM 0 HD2 TYR A 31 24.990 36.685 21.211 1.00 0.00 H new ATOM 0 HE1 TYR A 31 20.340 38.402 21.687 1.00 0.00 H new ATOM 0 HE2 TYR A 31 23.059 35.190 20.732 1.00 0.00 H new ATOM 0 HH TYR A 31 20.814 35.005 20.654 1.00 0.00 H new ATOM 550 N GLY A 32 27.626 41.148 21.333 1.00 0.00 N ATOM 551 CA GLY A 32 28.684 42.036 21.818 1.00 0.00 C ATOM 552 C GLY A 32 30.036 41.316 21.810 1.00 0.00 C ATOM 553 O GLY A 32 30.085 40.084 21.801 1.00 0.00 O ATOM 0 H GLY A 32 27.997 40.356 20.808 1.00 0.00 H new ATOM 0 HA2 GLY A 32 28.736 42.926 21.191 1.00 0.00 H new ATOM 0 HA3 GLY A 32 28.450 42.372 22.828 1.00 0.00 H new ATOM 557 N ASN A 33 31.141 42.062 21.809 1.00 0.00 N ATOM 558 CA ASN A 33 32.475 41.448 21.815 1.00 0.00 C ATOM 559 C ASN A 33 32.727 40.667 23.115 1.00 0.00 C ATOM 560 O ASN A 33 32.378 41.113 24.214 1.00 0.00 O ATOM 561 CB ASN A 33 33.566 42.503 21.563 1.00 0.00 C ATOM 562 CG ASN A 33 33.572 43.083 20.154 1.00 0.00 C ATOM 563 OD1 ASN A 33 32.921 42.607 19.232 1.00 0.00 O ATOM 564 ND2 ASN A 33 34.338 44.125 19.928 1.00 0.00 N ATOM 0 H ASN A 33 31.143 43.082 21.804 1.00 0.00 H new ATOM 0 HA ASN A 33 32.518 40.729 20.997 1.00 0.00 H new ATOM 0 HB2 ASN A 33 33.438 43.317 22.277 1.00 0.00 H new ATOM 0 HB3 ASN A 33 34.540 42.055 21.762 1.00 0.00 H new ATOM 0 HD21 ASN A 33 34.386 44.529 18.993 1.00 0.00 H new ATOM 0 HD22 ASN A 33 34.885 44.530 20.688 1.00 0.00 H new ATOM 571 N ILE A 34 33.355 39.501 22.974 1.00 0.00 N ATOM 572 CA ILE A 34 33.858 38.667 24.073 1.00 0.00 C ATOM 573 C ILE A 34 35.360 38.928 24.259 1.00 0.00 C ATOM 574 O ILE A 34 36.118 38.983 23.286 1.00 0.00 O ATOM 575 CB ILE A 34 33.426 37.182 23.918 1.00 0.00 C ATOM 576 CG1 ILE A 34 34.315 36.137 24.635 1.00 0.00 C ATOM 577 CG2 ILE A 34 33.133 36.741 22.470 1.00 0.00 C ATOM 578 CD1 ILE A 34 35.579 35.656 23.906 1.00 0.00 C ATOM 0 H ILE A 34 33.536 39.092 22.057 1.00 0.00 H new ATOM 0 HA ILE A 34 33.393 38.950 25.018 1.00 0.00 H new ATOM 0 HB ILE A 34 32.478 37.190 24.457 1.00 0.00 H new ATOM 0 HG12 ILE A 34 34.620 36.557 25.594 1.00 0.00 H new ATOM 0 HG13 ILE A 34 33.699 35.264 24.851 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.840 35.691 22.462 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.324 37.347 22.062 1.00 0.00 H new ATOM 0 HG23 ILE A 34 34.028 36.872 21.862 1.00 0.00 H new ATOM 0 HD11 ILE A 34 36.102 34.928 24.526 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.299 35.193 22.960 1.00 0.00 H new ATOM 0 HD13 ILE A 34 36.234 36.506 23.714 1.00 0.00 H new ATOM 590 N LEU A 35 35.783 39.131 25.508 1.00 0.00 N ATOM 591 CA LEU A 35 37.172 39.410 25.886 1.00 0.00 C ATOM 592 C LEU A 35 37.980 38.114 26.032 1.00 0.00 C ATOM 593 O LEU A 35 39.101 38.025 25.521 1.00 0.00 O ATOM 594 CB LEU A 35 37.220 40.221 27.198 1.00 0.00 C ATOM 595 CG LEU A 35 36.686 41.669 27.185 1.00 0.00 C ATOM 596 CD1 LEU A 35 37.266 42.509 26.046 1.00 0.00 C ATOM 597 CD2 LEU A 35 35.163 41.769 27.135 1.00 0.00 C ATOM 0 H LEU A 35 35.151 39.105 26.308 1.00 0.00 H new ATOM 0 HA LEU A 35 37.624 40.001 25.089 1.00 0.00 H new ATOM 0 HB2 LEU A 35 36.660 39.667 27.951 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.257 40.253 27.531 1.00 0.00 H new ATOM 0 HG LEU A 35 37.024 42.071 28.140 1.00 0.00 H new ATOM 0 HD11 LEU A 35 36.853 43.517 26.090 1.00 0.00 H new ATOM 0 HD12 LEU A 35 38.350 42.557 26.145 1.00 0.00 H new ATOM 0 HD13 LEU A 35 37.009 42.053 25.090 1.00 0.00 H new ATOM 0 HD21 LEU A 35 34.867 42.818 27.129 1.00 0.00 H new ATOM 0 HD22 LEU A 35 34.796 41.283 26.231 1.00 0.00 H new ATOM 0 HD23 LEU A 35 34.737 41.277 28.010 1.00 0.00 H new ATOM 609 N LYS A 36 37.405 37.104 26.702 1.00 0.00 N ATOM 610 CA LYS A 36 37.969 35.752 26.848 1.00 0.00 C ATOM 611 C LYS A 36 36.897 34.689 27.120 1.00 0.00 C ATOM 612 O LYS A 36 35.784 35.002 27.546 1.00 0.00 O ATOM 613 CB LYS A 36 39.084 35.748 27.916 1.00 0.00 C ATOM 614 CG LYS A 36 38.604 35.911 29.376 1.00 0.00 C ATOM 615 CD LYS A 36 39.252 34.914 30.352 1.00 0.00 C ATOM 616 CE LYS A 36 38.901 33.457 30.003 1.00 0.00 C ATOM 617 NZ LYS A 36 40.045 32.701 29.421 1.00 0.00 N ATOM 0 H LYS A 36 36.506 37.208 27.172 1.00 0.00 H new ATOM 0 HA LYS A 36 38.415 35.476 25.893 1.00 0.00 H new ATOM 0 HB2 LYS A 36 39.637 34.812 27.836 1.00 0.00 H new ATOM 0 HB3 LYS A 36 39.784 36.553 27.689 1.00 0.00 H new ATOM 0 HG2 LYS A 36 38.820 36.926 29.710 1.00 0.00 H new ATOM 0 HG3 LYS A 36 37.521 35.788 29.410 1.00 0.00 H new ATOM 0 HD2 LYS A 36 40.334 35.041 30.334 1.00 0.00 H new ATOM 0 HD3 LYS A 36 38.922 35.134 31.367 1.00 0.00 H new ATOM 0 HE2 LYS A 36 38.557 32.947 30.903 1.00 0.00 H new ATOM 0 HE3 LYS A 36 38.071 33.449 29.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 39.696 32.058 28.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 40.726 33.368 29.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 40.512 32.149 30.168 1.00 0.00 H new ATOM 631 N CYS A 37 37.257 33.423 26.913 1.00 0.00 N ATOM 632 CA CYS A 37 36.412 32.243 27.132 1.00 0.00 C ATOM 633 C CYS A 37 37.235 31.099 27.765 1.00 0.00 C ATOM 634 O CYS A 37 38.451 31.026 27.559 1.00 0.00 O ATOM 635 CB CYS A 37 35.785 31.878 25.775 1.00 0.00 C ATOM 636 SG CYS A 37 34.621 30.493 25.911 1.00 0.00 S ATOM 0 H CYS A 37 38.187 33.178 26.573 1.00 0.00 H new ATOM 0 HA CYS A 37 35.610 32.442 27.843 1.00 0.00 H new ATOM 0 HB2 CYS A 37 35.267 32.747 25.370 1.00 0.00 H new ATOM 0 HB3 CYS A 37 36.574 31.619 25.069 1.00 0.00 H new ATOM 0 HG CYS A 37 34.426 29.973 24.736 1.00 0.00 H new ATOM 642 N ASP A 38 36.610 30.238 28.569 1.00 0.00 N ATOM 643 CA ASP A 38 37.221 29.041 29.167 1.00 0.00 C ATOM 644 C ASP A 38 36.162 27.980 29.530 1.00 0.00 C ATOM 645 O ASP A 38 34.978 28.295 29.677 1.00 0.00 O ATOM 646 CB ASP A 38 38.021 29.429 30.424 1.00 0.00 C ATOM 647 CG ASP A 38 38.957 28.314 30.928 1.00 0.00 C ATOM 648 OD1 ASP A 38 39.362 27.443 30.123 1.00 0.00 O ATOM 649 OD2 ASP A 38 39.277 28.315 32.135 1.00 0.00 O ATOM 0 H ASP A 38 35.632 30.355 28.833 1.00 0.00 H new ATOM 0 HA ASP A 38 37.891 28.606 28.425 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.613 30.318 30.208 1.00 0.00 H new ATOM 0 HB3 ASP A 38 37.325 29.695 31.220 1.00 0.00 H new ATOM 654 N VAL A 39 36.585 26.728 29.723 1.00 0.00 N ATOM 655 CA VAL A 39 35.723 25.598 30.110 1.00 0.00 C ATOM 656 C VAL A 39 36.432 24.641 31.080 1.00 0.00 C ATOM 657 O VAL A 39 37.609 24.312 30.916 1.00 0.00 O ATOM 658 CB VAL A 39 35.140 24.898 28.864 1.00 0.00 C ATOM 659 CG1 VAL A 39 36.211 24.241 27.986 1.00 0.00 C ATOM 660 CG2 VAL A 39 34.086 23.850 29.240 1.00 0.00 C ATOM 0 H VAL A 39 37.563 26.461 29.612 1.00 0.00 H new ATOM 0 HA VAL A 39 34.873 25.991 30.667 1.00 0.00 H new ATOM 0 HB VAL A 39 34.670 25.693 28.285 1.00 0.00 H new ATOM 0 HG11 VAL A 39 35.736 23.766 27.127 1.00 0.00 H new ATOM 0 HG12 VAL A 39 36.913 24.999 27.640 1.00 0.00 H new ATOM 0 HG13 VAL A 39 36.746 23.489 28.566 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.701 23.381 28.335 1.00 0.00 H new ATOM 0 HG22 VAL A 39 34.539 23.091 29.878 1.00 0.00 H new ATOM 0 HG23 VAL A 39 33.268 24.332 29.775 1.00 0.00 H new ATOM 670 N LYS A 40 35.701 24.209 32.112 1.00 0.00 N ATOM 671 CA LYS A 40 36.156 23.383 33.242 1.00 0.00 C ATOM 672 C LYS A 40 35.316 22.106 33.349 1.00 0.00 C ATOM 673 O LYS A 40 34.191 22.056 32.840 1.00 0.00 O ATOM 674 CB LYS A 40 36.083 24.183 34.562 1.00 0.00 C ATOM 675 CG LYS A 40 36.882 25.501 34.611 1.00 0.00 C ATOM 676 CD LYS A 40 36.093 26.714 34.089 1.00 0.00 C ATOM 677 CE LYS A 40 36.831 28.039 34.317 1.00 0.00 C ATOM 678 NZ LYS A 40 36.775 28.480 35.729 1.00 0.00 N ATOM 0 H LYS A 40 34.711 24.440 32.188 1.00 0.00 H new ATOM 0 HA LYS A 40 37.194 23.101 33.063 1.00 0.00 H new ATOM 0 HB2 LYS A 40 35.037 24.410 34.766 1.00 0.00 H new ATOM 0 HB3 LYS A 40 36.433 23.541 35.370 1.00 0.00 H new ATOM 0 HG2 LYS A 40 37.190 25.692 35.639 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.792 25.388 34.021 1.00 0.00 H new ATOM 0 HD2 LYS A 40 35.902 26.587 33.023 1.00 0.00 H new ATOM 0 HD3 LYS A 40 35.123 26.753 34.585 1.00 0.00 H new ATOM 0 HE2 LYS A 40 37.872 27.928 34.015 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.394 28.809 33.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 37.287 29.379 35.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 35.783 28.612 36.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 37.215 27.759 36.336 1.00 0.00 H new ATOM 692 N LYS A 41 35.838 21.088 34.039 1.00 0.00 N ATOM 693 CA LYS A 41 35.149 19.810 34.315 1.00 0.00 C ATOM 694 C LYS A 41 35.485 19.245 35.699 1.00 0.00 C ATOM 695 O LYS A 41 36.555 19.530 36.242 1.00 0.00 O ATOM 696 CB LYS A 41 35.381 18.793 33.174 1.00 0.00 C ATOM 697 CG LYS A 41 36.710 18.009 33.190 1.00 0.00 C ATOM 698 CD LYS A 41 38.008 18.825 33.076 1.00 0.00 C ATOM 699 CE LYS A 41 38.093 19.614 31.762 1.00 0.00 C ATOM 700 NZ LYS A 41 39.410 20.291 31.617 1.00 0.00 N ATOM 0 H LYS A 41 36.777 21.124 34.435 1.00 0.00 H new ATOM 0 HA LYS A 41 34.079 20.017 34.343 1.00 0.00 H new ATOM 0 HB2 LYS A 41 34.563 18.073 33.192 1.00 0.00 H new ATOM 0 HB3 LYS A 41 35.315 19.327 32.226 1.00 0.00 H new ATOM 0 HG2 LYS A 41 36.752 17.434 34.115 1.00 0.00 H new ATOM 0 HG3 LYS A 41 36.689 17.291 32.370 1.00 0.00 H new ATOM 0 HD2 LYS A 41 38.074 19.516 33.916 1.00 0.00 H new ATOM 0 HD3 LYS A 41 38.863 18.153 33.149 1.00 0.00 H new ATOM 0 HE2 LYS A 41 37.935 18.940 30.920 1.00 0.00 H new ATOM 0 HE3 LYS A 41 37.296 20.356 31.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 39.434 20.815 30.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 39.549 20.952 32.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 40.169 19.580 31.623 1.00 0.00 H new ATOM 714 N THR A 42 34.582 18.444 36.262 1.00 0.00 N ATOM 715 CA THR A 42 34.731 17.791 37.578 1.00 0.00 C ATOM 716 C THR A 42 34.923 16.275 37.448 1.00 0.00 C ATOM 717 O THR A 42 34.606 15.675 36.418 1.00 0.00 O ATOM 718 CB THR A 42 33.532 18.089 38.497 1.00 0.00 C ATOM 719 OG1 THR A 42 32.370 17.435 38.029 1.00 0.00 O ATOM 720 CG2 THR A 42 33.230 19.584 38.619 1.00 0.00 C ATOM 0 H THR A 42 33.697 18.219 35.808 1.00 0.00 H new ATOM 0 HA THR A 42 35.630 18.211 38.030 1.00 0.00 H new ATOM 0 HB THR A 42 33.812 17.716 39.482 1.00 0.00 H new ATOM 0 HG1 THR A 42 31.619 17.635 38.626 1.00 0.00 H new ATOM 0 HG21 THR A 42 32.375 19.730 39.279 1.00 0.00 H new ATOM 0 HG22 THR A 42 34.098 20.098 39.031 1.00 0.00 H new ATOM 0 HG23 THR A 42 33.001 19.991 37.634 1.00 0.00 H new ATOM 728 N VAL A 43 35.402 15.624 38.517 1.00 0.00 N ATOM 729 CA VAL A 43 35.540 14.150 38.591 1.00 0.00 C ATOM 730 C VAL A 43 34.192 13.406 38.564 1.00 0.00 C ATOM 731 O VAL A 43 34.156 12.210 38.275 1.00 0.00 O ATOM 732 CB VAL A 43 36.370 13.717 39.815 1.00 0.00 C ATOM 733 CG1 VAL A 43 37.797 14.283 39.745 1.00 0.00 C ATOM 734 CG2 VAL A 43 35.740 14.116 41.156 1.00 0.00 C ATOM 0 H VAL A 43 35.709 16.102 39.364 1.00 0.00 H new ATOM 0 HA VAL A 43 36.075 13.863 37.686 1.00 0.00 H new ATOM 0 HB VAL A 43 36.395 12.628 39.774 1.00 0.00 H new ATOM 0 HG11 VAL A 43 38.359 13.961 40.621 1.00 0.00 H new ATOM 0 HG12 VAL A 43 38.289 13.918 38.844 1.00 0.00 H new ATOM 0 HG13 VAL A 43 37.756 15.372 39.720 1.00 0.00 H new ATOM 0 HG21 VAL A 43 36.379 13.779 41.973 1.00 0.00 H new ATOM 0 HG22 VAL A 43 35.636 15.200 41.201 1.00 0.00 H new ATOM 0 HG23 VAL A 43 34.758 13.653 41.249 1.00 0.00 H new ATOM 744 N SER A 44 33.079 14.108 38.813 1.00 0.00 N ATOM 745 CA SER A 44 31.707 13.605 38.625 1.00 0.00 C ATOM 746 C SER A 44 31.305 13.494 37.137 1.00 0.00 C ATOM 747 O SER A 44 30.334 12.816 36.790 1.00 0.00 O ATOM 748 CB SER A 44 30.743 14.524 39.392 1.00 0.00 C ATOM 749 OG SER A 44 29.428 13.996 39.440 1.00 0.00 O ATOM 0 H SER A 44 33.106 15.067 39.160 1.00 0.00 H new ATOM 0 HA SER A 44 31.656 12.590 39.018 1.00 0.00 H new ATOM 0 HB2 SER A 44 31.112 14.669 40.407 1.00 0.00 H new ATOM 0 HB3 SER A 44 30.722 15.505 38.917 1.00 0.00 H new ATOM 0 HG SER A 44 28.847 14.609 39.937 1.00 0.00 H new ATOM 755 N GLY A 45 32.062 14.135 36.234 1.00 0.00 N ATOM 756 CA GLY A 45 31.819 14.169 34.787 1.00 0.00 C ATOM 757 C GLY A 45 30.967 15.355 34.308 1.00 0.00 C ATOM 758 O GLY A 45 30.693 15.464 33.111 1.00 0.00 O ATOM 0 H GLY A 45 32.892 14.664 36.504 1.00 0.00 H new ATOM 0 HA2 GLY A 45 32.779 14.197 34.271 1.00 0.00 H new ATOM 0 HA3 GLY A 45 31.326 13.242 34.493 1.00 0.00 H new ATOM 762 N ALA A 46 30.557 16.253 35.212 1.00 0.00 N ATOM 763 CA ALA A 46 29.911 17.521 34.866 1.00 0.00 C ATOM 764 C ALA A 46 30.927 18.534 34.299 1.00 0.00 C ATOM 765 O ALA A 46 32.121 18.476 34.614 1.00 0.00 O ATOM 766 CB ALA A 46 29.190 18.064 36.103 1.00 0.00 C ATOM 0 H ALA A 46 30.667 16.116 36.217 1.00 0.00 H new ATOM 0 HA ALA A 46 29.178 17.351 34.077 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.705 19.009 35.856 1.00 0.00 H new ATOM 0 HB2 ALA A 46 28.439 17.345 36.431 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.912 18.225 36.904 1.00 0.00 H new ATOM 772 N ALA A 47 30.450 19.481 33.485 1.00 0.00 N ATOM 773 CA ALA A 47 31.268 20.514 32.847 1.00 0.00 C ATOM 774 C ALA A 47 30.574 21.887 32.830 1.00 0.00 C ATOM 775 O ALA A 47 29.341 21.987 32.795 1.00 0.00 O ATOM 776 CB ALA A 47 31.690 20.034 31.452 1.00 0.00 C ATOM 0 H ALA A 47 29.461 19.551 33.247 1.00 0.00 H new ATOM 0 HA ALA A 47 32.169 20.668 33.441 1.00 0.00 H new ATOM 0 HB1 ALA A 47 32.300 20.800 30.973 1.00 0.00 H new ATOM 0 HB2 ALA A 47 32.268 19.115 31.543 1.00 0.00 H new ATOM 0 HB3 ALA A 47 30.802 19.846 30.848 1.00 0.00 H new ATOM 782 N PHE A 48 31.390 22.944 32.870 1.00 0.00 N ATOM 783 CA PHE A 48 30.979 24.331 33.112 1.00 0.00 C ATOM 784 C PHE A 48 31.860 25.295 32.313 1.00 0.00 C ATOM 785 O PHE A 48 33.086 25.234 32.417 1.00 0.00 O ATOM 786 CB PHE A 48 31.086 24.642 34.620 1.00 0.00 C ATOM 787 CG PHE A 48 30.311 23.697 35.521 1.00 0.00 C ATOM 788 CD1 PHE A 48 28.975 23.981 35.856 1.00 0.00 C ATOM 789 CD2 PHE A 48 30.915 22.518 36.003 1.00 0.00 C ATOM 790 CE1 PHE A 48 28.233 23.077 36.637 1.00 0.00 C ATOM 791 CE2 PHE A 48 30.173 21.612 36.782 1.00 0.00 C ATOM 792 CZ PHE A 48 28.829 21.889 37.095 1.00 0.00 C ATOM 0 H PHE A 48 32.396 22.854 32.729 1.00 0.00 H new ATOM 0 HA PHE A 48 29.946 24.459 32.788 1.00 0.00 H new ATOM 0 HB2 PHE A 48 32.137 24.617 34.908 1.00 0.00 H new ATOM 0 HB3 PHE A 48 30.733 25.658 34.793 1.00 0.00 H new ATOM 0 HD1 PHE A 48 28.517 24.897 35.512 1.00 0.00 H new ATOM 0 HD2 PHE A 48 31.950 22.310 35.774 1.00 0.00 H new ATOM 0 HE1 PHE A 48 27.205 23.296 36.885 1.00 0.00 H new ATOM 0 HE2 PHE A 48 30.635 20.704 37.140 1.00 0.00 H new ATOM 0 HZ PHE A 48 28.256 21.190 37.686 1.00 0.00 H new ATOM 802 N ALA A 49 31.262 26.195 31.529 1.00 0.00 N ATOM 803 CA ALA A 49 31.986 27.212 30.770 1.00 0.00 C ATOM 804 C ALA A 49 31.764 28.622 31.340 1.00 0.00 C ATOM 805 O ALA A 49 30.678 28.970 31.815 1.00 0.00 O ATOM 806 CB ALA A 49 31.677 27.098 29.271 1.00 0.00 C ATOM 0 H ALA A 49 30.251 26.237 31.403 1.00 0.00 H new ATOM 0 HA ALA A 49 33.054 27.025 30.880 1.00 0.00 H new ATOM 0 HB1 ALA A 49 32.227 27.865 28.727 1.00 0.00 H new ATOM 0 HB2 ALA A 49 31.976 26.113 28.912 1.00 0.00 H new ATOM 0 HB3 ALA A 49 30.608 27.234 29.109 1.00 0.00 H new ATOM 812 N PHE A 50 32.830 29.422 31.291 1.00 0.00 N ATOM 813 CA PHE A 50 32.912 30.783 31.816 1.00 0.00 C ATOM 814 C PHE A 50 33.403 31.697 30.690 1.00 0.00 C ATOM 815 O PHE A 50 34.498 31.506 30.154 1.00 0.00 O ATOM 816 CB PHE A 50 33.879 30.836 33.012 1.00 0.00 C ATOM 817 CG PHE A 50 33.442 30.199 34.322 1.00 0.00 C ATOM 818 CD1 PHE A 50 33.282 28.805 34.441 1.00 0.00 C ATOM 819 CD2 PHE A 50 33.292 31.009 35.466 1.00 0.00 C ATOM 820 CE1 PHE A 50 32.972 28.228 35.685 1.00 0.00 C ATOM 821 CE2 PHE A 50 32.994 30.432 36.713 1.00 0.00 C ATOM 822 CZ PHE A 50 32.838 29.043 36.822 1.00 0.00 C ATOM 0 H PHE A 50 33.705 29.121 30.861 1.00 0.00 H new ATOM 0 HA PHE A 50 31.933 31.112 32.164 1.00 0.00 H new ATOM 0 HB2 PHE A 50 34.812 30.362 32.707 1.00 0.00 H new ATOM 0 HB3 PHE A 50 34.105 31.884 33.211 1.00 0.00 H new ATOM 0 HD1 PHE A 50 33.398 28.175 33.571 1.00 0.00 H new ATOM 0 HD2 PHE A 50 33.407 32.080 35.384 1.00 0.00 H new ATOM 0 HE1 PHE A 50 32.837 27.160 35.767 1.00 0.00 H new ATOM 0 HE2 PHE A 50 32.885 31.058 37.586 1.00 0.00 H new ATOM 0 HZ PHE A 50 32.615 28.599 37.781 1.00 0.00 H new ATOM 832 N ILE A 51 32.592 32.687 30.317 1.00 0.00 N ATOM 833 CA ILE A 51 32.797 33.523 29.126 1.00 0.00 C ATOM 834 C ILE A 51 32.601 34.991 29.511 1.00 0.00 C ATOM 835 O ILE A 51 31.652 35.295 30.228 1.00 0.00 O ATOM 836 CB ILE A 51 31.819 33.092 28.007 1.00 0.00 C ATOM 837 CG1 ILE A 51 31.814 31.573 27.701 1.00 0.00 C ATOM 838 CG2 ILE A 51 32.132 33.864 26.716 1.00 0.00 C ATOM 839 CD1 ILE A 51 30.690 30.810 28.415 1.00 0.00 C ATOM 0 H ILE A 51 31.755 32.938 30.843 1.00 0.00 H new ATOM 0 HA ILE A 51 33.810 33.397 28.744 1.00 0.00 H new ATOM 0 HB ILE A 51 30.824 33.330 28.383 1.00 0.00 H new ATOM 0 HG12 ILE A 51 31.715 31.427 26.625 1.00 0.00 H new ATOM 0 HG13 ILE A 51 32.774 31.148 27.994 1.00 0.00 H new ATOM 0 HG21 ILE A 51 31.440 33.557 25.932 1.00 0.00 H new ATOM 0 HG22 ILE A 51 32.024 34.934 26.896 1.00 0.00 H new ATOM 0 HG23 ILE A 51 33.154 33.650 26.403 1.00 0.00 H new ATOM 0 HD11 ILE A 51 30.746 29.753 28.156 1.00 0.00 H new ATOM 0 HD12 ILE A 51 30.800 30.926 29.493 1.00 0.00 H new ATOM 0 HD13 ILE A 51 29.725 31.209 28.104 1.00 0.00 H new ATOM 851 N GLU A 52 33.473 35.900 29.066 1.00 0.00 N ATOM 852 CA GLU A 52 33.478 37.317 29.469 1.00 0.00 C ATOM 853 C GLU A 52 33.037 38.256 28.327 1.00 0.00 C ATOM 854 O GLU A 52 33.747 38.399 27.330 1.00 0.00 O ATOM 855 CB GLU A 52 34.870 37.661 30.029 1.00 0.00 C ATOM 856 CG GLU A 52 34.929 39.042 30.693 1.00 0.00 C ATOM 857 CD GLU A 52 36.308 39.292 31.329 1.00 0.00 C ATOM 858 OE1 GLU A 52 36.532 38.869 32.487 1.00 0.00 O ATOM 859 OE2 GLU A 52 37.175 39.921 30.675 1.00 0.00 O ATOM 0 H GLU A 52 34.212 35.671 28.402 1.00 0.00 H new ATOM 0 HA GLU A 52 32.737 37.473 30.253 1.00 0.00 H new ATOM 0 HB2 GLU A 52 35.160 36.903 30.756 1.00 0.00 H new ATOM 0 HB3 GLU A 52 35.600 37.622 29.220 1.00 0.00 H new ATOM 0 HG2 GLU A 52 34.721 39.814 29.952 1.00 0.00 H new ATOM 0 HG3 GLU A 52 34.154 39.115 31.456 1.00 0.00 H new ATOM 866 N PHE A 53 31.875 38.902 28.467 1.00 0.00 N ATOM 867 CA PHE A 53 31.308 39.893 27.536 1.00 0.00 C ATOM 868 C PHE A 53 31.757 41.337 27.856 1.00 0.00 C ATOM 869 O PHE A 53 32.026 41.690 29.006 1.00 0.00 O ATOM 870 CB PHE A 53 29.765 39.844 27.595 1.00 0.00 C ATOM 871 CG PHE A 53 29.019 38.979 26.590 1.00 0.00 C ATOM 872 CD1 PHE A 53 29.339 39.019 25.219 1.00 0.00 C ATOM 873 CD2 PHE A 53 27.884 38.258 27.014 1.00 0.00 C ATOM 874 CE1 PHE A 53 28.542 38.332 24.287 1.00 0.00 C ATOM 875 CE2 PHE A 53 27.084 37.576 26.080 1.00 0.00 C ATOM 876 CZ PHE A 53 27.413 37.615 24.716 1.00 0.00 C ATOM 0 H PHE A 53 31.271 38.742 29.273 1.00 0.00 H new ATOM 0 HA PHE A 53 31.674 39.633 26.543 1.00 0.00 H new ATOM 0 HB2 PHE A 53 29.484 39.507 28.593 1.00 0.00 H new ATOM 0 HB3 PHE A 53 29.398 40.865 27.488 1.00 0.00 H new ATOM 0 HD1 PHE A 53 30.199 39.579 24.883 1.00 0.00 H new ATOM 0 HD2 PHE A 53 27.627 38.229 28.063 1.00 0.00 H new ATOM 0 HE1 PHE A 53 28.798 38.356 23.238 1.00 0.00 H new ATOM 0 HE2 PHE A 53 26.218 37.023 26.412 1.00 0.00 H new ATOM 0 HZ PHE A 53 26.798 37.094 23.997 1.00 0.00 H new ATOM 886 N GLU A 54 31.745 42.207 26.845 1.00 0.00 N ATOM 887 CA GLU A 54 32.012 43.646 26.995 1.00 0.00 C ATOM 888 C GLU A 54 30.857 44.435 27.655 1.00 0.00 C ATOM 889 O GLU A 54 31.111 45.259 28.533 1.00 0.00 O ATOM 890 CB GLU A 54 32.373 44.219 25.612 1.00 0.00 C ATOM 891 CG GLU A 54 32.781 45.699 25.671 1.00 0.00 C ATOM 892 CD GLU A 54 33.357 46.224 24.337 1.00 0.00 C ATOM 893 OE1 GLU A 54 32.932 45.775 23.244 1.00 0.00 O ATOM 894 OE2 GLU A 54 34.243 47.113 24.377 1.00 0.00 O ATOM 0 H GLU A 54 31.547 41.932 25.883 1.00 0.00 H new ATOM 0 HA GLU A 54 32.848 43.761 27.685 1.00 0.00 H new ATOM 0 HB2 GLU A 54 33.190 43.638 25.185 1.00 0.00 H new ATOM 0 HB3 GLU A 54 31.519 44.108 24.943 1.00 0.00 H new ATOM 0 HG2 GLU A 54 31.913 46.298 25.945 1.00 0.00 H new ATOM 0 HG3 GLU A 54 33.523 45.834 26.458 1.00 0.00 H new ATOM 901 N ASP A 55 29.597 44.182 27.274 1.00 0.00 N ATOM 902 CA ASP A 55 28.425 44.993 27.656 1.00 0.00 C ATOM 903 C ASP A 55 27.248 44.149 28.183 1.00 0.00 C ATOM 904 O ASP A 55 26.564 43.470 27.417 1.00 0.00 O ATOM 905 CB ASP A 55 27.957 45.841 26.458 1.00 0.00 C ATOM 906 CG ASP A 55 28.934 46.958 26.055 1.00 0.00 C ATOM 907 OD1 ASP A 55 29.358 47.746 26.935 1.00 0.00 O ATOM 908 OD2 ASP A 55 29.223 47.099 24.844 1.00 0.00 O ATOM 0 H ASP A 55 29.355 43.390 26.678 1.00 0.00 H new ATOM 0 HA ASP A 55 28.747 45.637 28.474 1.00 0.00 H new ATOM 0 HB2 ASP A 55 27.800 45.185 25.602 1.00 0.00 H new ATOM 0 HB3 ASP A 55 26.992 46.287 26.698 1.00 0.00 H new ATOM 913 N ALA A 56 26.965 44.243 29.489 1.00 0.00 N ATOM 914 CA ALA A 56 25.855 43.523 30.134 1.00 0.00 C ATOM 915 C ALA A 56 24.470 43.975 29.639 1.00 0.00 C ATOM 916 O ALA A 56 23.562 43.154 29.509 1.00 0.00 O ATOM 917 CB ALA A 56 25.972 43.696 31.656 1.00 0.00 C ATOM 0 H ALA A 56 27.502 44.824 30.133 1.00 0.00 H new ATOM 0 HA ALA A 56 25.937 42.470 29.863 1.00 0.00 H new ATOM 0 HB1 ALA A 56 25.155 43.167 32.146 1.00 0.00 H new ATOM 0 HB2 ALA A 56 26.924 43.289 31.996 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.920 44.755 31.907 1.00 0.00 H new ATOM 923 N ARG A 57 24.310 45.272 29.334 1.00 0.00 N ATOM 924 CA ARG A 57 23.054 45.860 28.830 1.00 0.00 C ATOM 925 C ARG A 57 22.708 45.382 27.417 1.00 0.00 C ATOM 926 O ARG A 57 21.555 45.063 27.145 1.00 0.00 O ATOM 927 CB ARG A 57 23.155 47.393 28.928 1.00 0.00 C ATOM 928 CG ARG A 57 21.911 48.116 28.387 1.00 0.00 C ATOM 929 CD ARG A 57 21.958 49.614 28.714 1.00 0.00 C ATOM 930 NE ARG A 57 20.934 50.374 27.966 1.00 0.00 N ATOM 931 CZ ARG A 57 19.632 50.427 28.191 1.00 0.00 C ATOM 932 NH1 ARG A 57 19.061 49.775 29.164 1.00 0.00 N ATOM 933 NH2 ARG A 57 18.864 51.145 27.423 1.00 0.00 N ATOM 0 H ARG A 57 25.061 45.955 29.431 1.00 0.00 H new ATOM 0 HA ARG A 57 22.226 45.518 29.451 1.00 0.00 H new ATOM 0 HB2 ARG A 57 23.307 47.675 29.970 1.00 0.00 H new ATOM 0 HB3 ARG A 57 24.032 47.729 28.375 1.00 0.00 H new ATOM 0 HG2 ARG A 57 21.847 47.978 27.308 1.00 0.00 H new ATOM 0 HG3 ARG A 57 21.013 47.674 28.819 1.00 0.00 H new ATOM 0 HD2 ARG A 57 21.807 49.757 29.784 1.00 0.00 H new ATOM 0 HD3 ARG A 57 22.947 50.007 28.477 1.00 0.00 H new ATOM 0 HE ARG A 57 21.274 50.926 27.179 1.00 0.00 H new ATOM 0 HH11 ARG A 57 19.622 49.195 29.788 1.00 0.00 H new ATOM 0 HH12 ARG A 57 18.053 49.844 29.302 1.00 0.00 H new ATOM 0 HH21 ARG A 57 19.266 51.668 26.645 1.00 0.00 H new ATOM 0 HH22 ARG A 57 17.860 51.184 27.599 1.00 0.00 H new ATOM 947 N ASP A 58 23.700 45.305 26.527 1.00 0.00 N ATOM 948 CA ASP A 58 23.505 44.859 25.137 1.00 0.00 C ATOM 949 C ASP A 58 23.331 43.328 25.052 1.00 0.00 C ATOM 950 O ASP A 58 22.425 42.829 24.381 1.00 0.00 O ATOM 951 CB ASP A 58 24.691 45.355 24.287 1.00 0.00 C ATOM 952 CG ASP A 58 24.413 45.429 22.772 1.00 0.00 C ATOM 953 OD1 ASP A 58 23.265 45.204 22.322 1.00 0.00 O ATOM 954 OD2 ASP A 58 25.348 45.789 22.020 1.00 0.00 O ATOM 0 H ASP A 58 24.666 45.550 26.746 1.00 0.00 H new ATOM 0 HA ASP A 58 22.584 45.288 24.743 1.00 0.00 H new ATOM 0 HB2 ASP A 58 24.983 46.345 24.638 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.542 44.694 24.454 1.00 0.00 H new ATOM 959 N ALA A 59 24.139 42.575 25.807 1.00 0.00 N ATOM 960 CA ALA A 59 24.063 41.115 25.895 1.00 0.00 C ATOM 961 C ALA A 59 22.903 40.570 26.759 1.00 0.00 C ATOM 962 O ALA A 59 22.730 39.352 26.855 1.00 0.00 O ATOM 963 CB ALA A 59 25.416 40.595 26.381 1.00 0.00 C ATOM 0 H ALA A 59 24.879 42.973 26.385 1.00 0.00 H new ATOM 0 HA ALA A 59 23.835 40.743 24.896 1.00 0.00 H new ATOM 0 HB1 ALA A 59 25.383 39.508 26.454 1.00 0.00 H new ATOM 0 HB2 ALA A 59 26.193 40.888 25.675 1.00 0.00 H new ATOM 0 HB3 ALA A 59 25.638 41.018 27.361 1.00 0.00 H new ATOM 969 N ALA A 60 22.079 41.436 27.362 1.00 0.00 N ATOM 970 CA ALA A 60 20.926 41.032 28.171 1.00 0.00 C ATOM 971 C ALA A 60 19.929 40.155 27.386 1.00 0.00 C ATOM 972 O ALA A 60 19.325 39.251 27.961 1.00 0.00 O ATOM 973 CB ALA A 60 20.235 42.293 28.705 1.00 0.00 C ATOM 0 H ALA A 60 22.197 42.447 27.300 1.00 0.00 H new ATOM 0 HA ALA A 60 21.285 40.419 28.997 1.00 0.00 H new ATOM 0 HB1 ALA A 60 19.374 42.008 29.310 1.00 0.00 H new ATOM 0 HB2 ALA A 60 20.936 42.861 29.317 1.00 0.00 H new ATOM 0 HB3 ALA A 60 19.903 42.908 27.868 1.00 0.00 H new ATOM 979 N ASP A 61 19.802 40.366 26.068 1.00 0.00 N ATOM 980 CA ASP A 61 18.975 39.532 25.190 1.00 0.00 C ATOM 981 C ASP A 61 19.452 38.072 25.123 1.00 0.00 C ATOM 982 O ASP A 61 18.619 37.167 25.172 1.00 0.00 O ATOM 983 CB ASP A 61 18.900 40.152 23.782 1.00 0.00 C ATOM 984 CG ASP A 61 18.063 41.443 23.707 1.00 0.00 C ATOM 985 OD1 ASP A 61 17.189 41.678 24.579 1.00 0.00 O ATOM 986 OD2 ASP A 61 18.239 42.206 22.727 1.00 0.00 O ATOM 0 H ASP A 61 20.275 41.127 25.580 1.00 0.00 H new ATOM 0 HA ASP A 61 17.976 39.506 25.625 1.00 0.00 H new ATOM 0 HB2 ASP A 61 19.911 40.367 23.437 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.478 39.418 23.095 1.00 0.00 H new ATOM 991 N ALA A 62 20.768 37.818 25.097 1.00 0.00 N ATOM 992 CA ALA A 62 21.312 36.459 25.173 1.00 0.00 C ATOM 993 C ALA A 62 21.020 35.819 26.539 1.00 0.00 C ATOM 994 O ALA A 62 20.524 34.695 26.608 1.00 0.00 O ATOM 995 CB ALA A 62 22.821 36.494 24.895 1.00 0.00 C ATOM 0 H ALA A 62 21.479 38.545 25.023 1.00 0.00 H new ATOM 0 HA ALA A 62 20.825 35.844 24.416 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.225 35.483 24.952 1.00 0.00 H new ATOM 0 HB2 ALA A 62 22.998 36.900 23.899 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.313 37.123 25.636 1.00 0.00 H new ATOM 1001 N ILE A 63 21.266 36.552 27.631 1.00 0.00 N ATOM 1002 CA ILE A 63 21.031 36.079 29.003 1.00 0.00 C ATOM 1003 C ILE A 63 19.552 35.707 29.220 1.00 0.00 C ATOM 1004 O ILE A 63 19.273 34.645 29.786 1.00 0.00 O ATOM 1005 CB ILE A 63 21.539 37.134 30.019 1.00 0.00 C ATOM 1006 CG1 ILE A 63 23.084 37.233 30.024 1.00 0.00 C ATOM 1007 CG2 ILE A 63 21.015 36.905 31.449 1.00 0.00 C ATOM 1008 CD1 ILE A 63 23.832 36.031 30.625 1.00 0.00 C ATOM 0 H ILE A 63 21.638 37.501 27.588 1.00 0.00 H new ATOM 0 HA ILE A 63 21.600 35.164 29.168 1.00 0.00 H new ATOM 0 HB ILE A 63 21.129 38.084 29.676 1.00 0.00 H new ATOM 0 HG12 ILE A 63 23.423 37.371 28.997 1.00 0.00 H new ATOM 0 HG13 ILE A 63 23.370 38.128 30.577 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.409 37.678 32.109 1.00 0.00 H new ATOM 0 HG22 ILE A 63 19.926 36.948 31.449 1.00 0.00 H new ATOM 0 HG23 ILE A 63 21.339 35.926 31.803 1.00 0.00 H new ATOM 0 HD11 ILE A 63 24.906 36.209 30.576 1.00 0.00 H new ATOM 0 HD12 ILE A 63 23.533 35.899 31.665 1.00 0.00 H new ATOM 0 HD13 ILE A 63 23.588 35.131 30.061 1.00 0.00 H new ATOM 1020 N LYS A 64 18.604 36.530 28.747 1.00 0.00 N ATOM 1021 CA LYS A 64 17.163 36.285 28.930 1.00 0.00 C ATOM 1022 C LYS A 64 16.553 35.287 27.938 1.00 0.00 C ATOM 1023 O LYS A 64 15.615 34.591 28.313 1.00 0.00 O ATOM 1024 CB LYS A 64 16.393 37.617 29.030 1.00 0.00 C ATOM 1025 CG LYS A 64 16.197 38.400 27.721 1.00 0.00 C ATOM 1026 CD LYS A 64 14.873 38.082 27.002 1.00 0.00 C ATOM 1027 CE LYS A 64 14.665 38.946 25.749 1.00 0.00 C ATOM 1028 NZ LYS A 64 14.407 40.375 26.078 1.00 0.00 N ATOM 0 H LYS A 64 18.813 37.383 28.228 1.00 0.00 H new ATOM 0 HA LYS A 64 17.053 35.772 29.885 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.410 37.411 29.454 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.917 38.261 29.737 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.235 39.468 27.937 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.027 38.181 27.049 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.859 37.029 26.720 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.042 38.239 27.690 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.548 38.877 25.113 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.827 38.552 25.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.207 40.902 25.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.590 40.442 26.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.244 40.781 26.542 1.00 0.00 H new ATOM 1042 N GLU A 65 17.058 35.158 26.705 1.00 0.00 N ATOM 1043 CA GLU A 65 16.529 34.163 25.748 1.00 0.00 C ATOM 1044 C GLU A 65 17.031 32.735 26.042 1.00 0.00 C ATOM 1045 O GLU A 65 16.266 31.772 25.919 1.00 0.00 O ATOM 1046 CB GLU A 65 16.757 34.616 24.289 1.00 0.00 C ATOM 1047 CG GLU A 65 18.163 34.387 23.694 1.00 0.00 C ATOM 1048 CD GLU A 65 18.330 33.087 22.871 1.00 0.00 C ATOM 1049 OE1 GLU A 65 17.471 32.175 22.931 1.00 0.00 O ATOM 1050 OE2 GLU A 65 19.340 32.976 22.138 1.00 0.00 O ATOM 0 H GLU A 65 17.826 35.723 26.343 1.00 0.00 H new ATOM 0 HA GLU A 65 15.449 34.111 25.887 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.034 34.100 23.657 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.532 35.681 24.226 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.412 35.235 23.057 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.887 34.377 24.509 1.00 0.00 H new ATOM 1057 N LYS A 66 18.278 32.592 26.523 1.00 0.00 N ATOM 1058 CA LYS A 66 18.874 31.316 26.965 1.00 0.00 C ATOM 1059 C LYS A 66 18.427 30.873 28.376 1.00 0.00 C ATOM 1060 O LYS A 66 18.926 29.864 28.876 1.00 0.00 O ATOM 1061 CB LYS A 66 20.416 31.420 26.898 1.00 0.00 C ATOM 1062 CG LYS A 66 21.023 31.710 25.511 1.00 0.00 C ATOM 1063 CD LYS A 66 20.915 30.546 24.515 1.00 0.00 C ATOM 1064 CE LYS A 66 21.699 30.908 23.244 1.00 0.00 C ATOM 1065 NZ LYS A 66 21.633 29.841 22.214 1.00 0.00 N ATOM 0 H LYS A 66 18.918 33.381 26.618 1.00 0.00 H new ATOM 0 HA LYS A 66 18.511 30.546 26.284 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.736 32.206 27.582 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.838 30.485 27.267 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.527 32.583 25.086 1.00 0.00 H new ATOM 0 HG3 LYS A 66 22.074 31.970 25.635 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.313 29.633 24.957 1.00 0.00 H new ATOM 0 HD3 LYS A 66 19.870 30.353 24.272 1.00 0.00 H new ATOM 0 HE2 LYS A 66 21.304 31.835 22.829 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.741 31.094 23.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.271 30.078 21.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.923 28.935 22.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.659 29.762 21.858 1.00 0.00 H new ATOM 1079 N ASP A 67 17.537 31.619 29.042 1.00 0.00 N ATOM 1080 CA ASP A 67 17.136 31.379 30.441 1.00 0.00 C ATOM 1081 C ASP A 67 16.317 30.083 30.668 1.00 0.00 C ATOM 1082 O ASP A 67 15.983 29.348 29.732 1.00 0.00 O ATOM 1083 CB ASP A 67 16.426 32.624 31.026 1.00 0.00 C ATOM 1084 CG ASP A 67 14.918 32.797 30.724 1.00 0.00 C ATOM 1085 OD1 ASP A 67 14.331 32.064 29.891 1.00 0.00 O ATOM 1086 OD2 ASP A 67 14.297 33.667 31.380 1.00 0.00 O ATOM 0 H ASP A 67 17.066 32.420 28.621 1.00 0.00 H new ATOM 0 HA ASP A 67 18.062 31.210 30.990 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.552 32.605 32.109 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.946 33.510 30.660 1.00 0.00 H new ATOM 1091 N GLY A 68 15.995 29.804 31.937 1.00 0.00 N ATOM 1092 CA GLY A 68 15.218 28.631 32.353 1.00 0.00 C ATOM 1093 C GLY A 68 16.063 27.355 32.361 1.00 0.00 C ATOM 1094 O GLY A 68 15.966 26.527 31.454 1.00 0.00 O ATOM 0 H GLY A 68 16.273 30.399 32.718 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.810 28.802 33.349 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.371 28.500 31.680 1.00 0.00 H new ATOM 1098 N CYS A 69 16.906 27.209 33.388 1.00 0.00 N ATOM 1099 CA CYS A 69 17.762 26.038 33.578 1.00 0.00 C ATOM 1100 C CYS A 69 16.955 24.727 33.716 1.00 0.00 C ATOM 1101 O CYS A 69 15.829 24.707 34.220 1.00 0.00 O ATOM 1102 CB CYS A 69 18.688 26.279 34.785 1.00 0.00 C ATOM 1103 SG CYS A 69 17.751 26.606 36.310 1.00 0.00 S ATOM 0 H CYS A 69 17.013 27.912 34.120 1.00 0.00 H new ATOM 0 HA CYS A 69 18.371 25.907 32.684 1.00 0.00 H new ATOM 0 HB2 CYS A 69 19.326 25.408 34.932 1.00 0.00 H new ATOM 0 HB3 CYS A 69 19.345 27.123 34.575 1.00 0.00 H new ATOM 0 HG CYS A 69 18.578 26.799 37.294 1.00 0.00 H new ATOM 1109 N ASP A 70 17.546 23.622 33.257 1.00 0.00 N ATOM 1110 CA ASP A 70 16.919 22.301 33.181 1.00 0.00 C ATOM 1111 C ASP A 70 17.936 21.174 33.454 1.00 0.00 C ATOM 1112 O ASP A 70 19.149 21.354 33.294 1.00 0.00 O ATOM 1113 CB ASP A 70 16.238 22.149 31.806 1.00 0.00 C ATOM 1114 CG ASP A 70 15.120 21.092 31.764 1.00 0.00 C ATOM 1115 OD1 ASP A 70 14.795 20.481 32.808 1.00 0.00 O ATOM 1116 OD2 ASP A 70 14.545 20.894 30.669 1.00 0.00 O ATOM 0 H ASP A 70 18.507 23.622 32.916 1.00 0.00 H new ATOM 0 HA ASP A 70 16.161 22.215 33.959 1.00 0.00 H new ATOM 0 HB2 ASP A 70 15.822 23.112 31.512 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.995 21.889 31.066 1.00 0.00 H new ATOM 1121 N PHE A 71 17.447 20.021 33.915 1.00 0.00 N ATOM 1122 CA PHE A 71 18.254 18.907 34.432 1.00 0.00 C ATOM 1123 C PHE A 71 17.481 17.570 34.364 1.00 0.00 C ATOM 1124 O PHE A 71 16.340 17.526 33.903 1.00 0.00 O ATOM 1125 CB PHE A 71 18.698 19.267 35.866 1.00 0.00 C ATOM 1126 CG PHE A 71 19.828 18.426 36.433 1.00 0.00 C ATOM 1127 CD1 PHE A 71 21.075 18.386 35.777 1.00 0.00 C ATOM 1128 CD2 PHE A 71 19.646 17.699 37.625 1.00 0.00 C ATOM 1129 CE1 PHE A 71 22.124 17.606 36.298 1.00 0.00 C ATOM 1130 CE2 PHE A 71 20.695 16.916 38.143 1.00 0.00 C ATOM 1131 CZ PHE A 71 21.931 16.867 37.478 1.00 0.00 C ATOM 0 H PHE A 71 16.446 19.828 33.941 1.00 0.00 H new ATOM 0 HA PHE A 71 19.139 18.760 33.813 1.00 0.00 H new ATOM 0 HB2 PHE A 71 19.005 20.313 35.880 1.00 0.00 H new ATOM 0 HB3 PHE A 71 17.836 19.178 36.527 1.00 0.00 H new ATOM 0 HD1 PHE A 71 21.226 18.956 34.872 1.00 0.00 H new ATOM 0 HD2 PHE A 71 18.699 17.742 38.143 1.00 0.00 H new ATOM 0 HE1 PHE A 71 23.077 17.575 35.791 1.00 0.00 H new ATOM 0 HE2 PHE A 71 20.549 16.352 39.053 1.00 0.00 H new ATOM 0 HZ PHE A 71 22.733 16.262 37.873 1.00 0.00 H new ATOM 1141 N GLU A 72 18.097 16.464 34.801 1.00 0.00 N ATOM 1142 CA GLU A 72 17.509 15.104 34.841 1.00 0.00 C ATOM 1143 C GLU A 72 17.059 14.542 33.467 1.00 0.00 C ATOM 1144 O GLU A 72 16.242 13.619 33.393 1.00 0.00 O ATOM 1145 CB GLU A 72 16.401 14.995 35.912 1.00 0.00 C ATOM 1146 CG GLU A 72 16.827 15.501 37.300 1.00 0.00 C ATOM 1147 CD GLU A 72 15.843 15.075 38.409 1.00 0.00 C ATOM 1148 OE1 GLU A 72 14.606 15.149 38.211 1.00 0.00 O ATOM 1149 OE2 GLU A 72 16.305 14.677 39.507 1.00 0.00 O ATOM 0 H GLU A 72 19.055 16.485 35.151 1.00 0.00 H new ATOM 0 HA GLU A 72 18.331 14.452 35.136 1.00 0.00 H new ATOM 0 HB2 GLU A 72 15.531 15.562 35.580 1.00 0.00 H new ATOM 0 HB3 GLU A 72 16.090 13.954 35.995 1.00 0.00 H new ATOM 0 HG2 GLU A 72 17.821 15.119 37.534 1.00 0.00 H new ATOM 0 HG3 GLU A 72 16.900 16.588 37.281 1.00 0.00 H new ATOM 1156 N GLY A 73 17.595 15.088 32.369 1.00 0.00 N ATOM 1157 CA GLY A 73 17.287 14.674 30.993 1.00 0.00 C ATOM 1158 C GLY A 73 17.783 15.650 29.918 1.00 0.00 C ATOM 1159 O GLY A 73 18.160 15.223 28.825 1.00 0.00 O ATOM 0 H GLY A 73 18.272 15.849 32.413 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.731 13.695 30.812 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.208 14.558 30.893 1.00 0.00 H new ATOM 1163 N ASN A 74 17.854 16.946 30.244 1.00 0.00 N ATOM 1164 CA ASN A 74 18.406 18.006 29.392 1.00 0.00 C ATOM 1165 C ASN A 74 19.689 18.600 30.005 1.00 0.00 C ATOM 1166 O ASN A 74 19.788 18.759 31.223 1.00 0.00 O ATOM 1167 CB ASN A 74 17.326 19.074 29.132 1.00 0.00 C ATOM 1168 CG ASN A 74 16.152 18.533 28.325 1.00 0.00 C ATOM 1169 OD1 ASN A 74 15.282 17.826 28.818 1.00 0.00 O ATOM 1170 ND2 ASN A 74 16.092 18.829 27.044 1.00 0.00 N ATOM 0 H ASN A 74 17.517 17.298 31.140 1.00 0.00 H new ATOM 0 HA ASN A 74 18.696 17.583 28.430 1.00 0.00 H new ATOM 0 HB2 ASN A 74 16.962 19.457 30.085 1.00 0.00 H new ATOM 0 HB3 ASN A 74 17.772 19.915 28.600 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.327 18.470 26.473 1.00 0.00 H new ATOM 0 HD22 ASN A 74 16.811 19.417 26.622 1.00 0.00 H new ATOM 1177 N LYS A 75 20.680 18.902 29.160 1.00 0.00 N ATOM 1178 CA LYS A 75 22.034 19.368 29.524 1.00 0.00 C ATOM 1179 C LYS A 75 22.185 20.883 29.284 1.00 0.00 C ATOM 1180 O LYS A 75 22.992 21.322 28.468 1.00 0.00 O ATOM 1181 CB LYS A 75 23.088 18.507 28.782 1.00 0.00 C ATOM 1182 CG LYS A 75 23.543 17.220 29.501 1.00 0.00 C ATOM 1183 CD LYS A 75 22.448 16.186 29.822 1.00 0.00 C ATOM 1184 CE LYS A 75 21.885 16.302 31.251 1.00 0.00 C ATOM 1185 NZ LYS A 75 22.834 15.787 32.276 1.00 0.00 N ATOM 0 H LYS A 75 20.559 18.826 28.150 1.00 0.00 H new ATOM 0 HA LYS A 75 22.202 19.232 30.592 1.00 0.00 H new ATOM 0 HB2 LYS A 75 22.682 18.231 27.809 1.00 0.00 H new ATOM 0 HB3 LYS A 75 23.967 19.125 28.597 1.00 0.00 H new ATOM 0 HG2 LYS A 75 24.300 16.735 28.885 1.00 0.00 H new ATOM 0 HG3 LYS A 75 24.027 17.505 30.435 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.632 16.302 29.109 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.854 15.184 29.682 1.00 0.00 H new ATOM 0 HE2 LYS A 75 21.654 17.346 31.465 1.00 0.00 H new ATOM 0 HE3 LYS A 75 20.948 15.749 31.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 22.411 15.886 33.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.035 14.784 32.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.719 16.331 32.234 1.00 0.00 H new ATOM 1199 N LEU A 76 21.360 21.693 29.958 1.00 0.00 N ATOM 1200 CA LEU A 76 21.327 23.160 29.816 1.00 0.00 C ATOM 1201 C LEU A 76 20.986 23.860 31.145 1.00 0.00 C ATOM 1202 O LEU A 76 19.821 23.939 31.540 1.00 0.00 O ATOM 1203 CB LEU A 76 20.310 23.558 28.717 1.00 0.00 C ATOM 1204 CG LEU A 76 20.889 23.679 27.294 1.00 0.00 C ATOM 1205 CD1 LEU A 76 19.753 23.787 26.277 1.00 0.00 C ATOM 1206 CD2 LEU A 76 21.768 24.925 27.149 1.00 0.00 C ATOM 0 H LEU A 76 20.680 21.343 30.633 1.00 0.00 H new ATOM 0 HA LEU A 76 22.324 23.491 29.525 1.00 0.00 H new ATOM 0 HB2 LEU A 76 19.508 22.820 28.703 1.00 0.00 H new ATOM 0 HB3 LEU A 76 19.860 24.512 28.990 1.00 0.00 H new ATOM 0 HG LEU A 76 21.491 22.789 27.113 1.00 0.00 H new ATOM 0 HD11 LEU A 76 20.170 23.872 25.273 1.00 0.00 H new ATOM 0 HD12 LEU A 76 19.127 22.897 26.335 1.00 0.00 H new ATOM 0 HD13 LEU A 76 19.151 24.669 26.496 1.00 0.00 H new ATOM 0 HD21 LEU A 76 22.159 24.978 26.133 1.00 0.00 H new ATOM 0 HD22 LEU A 76 21.174 25.815 27.356 1.00 0.00 H new ATOM 0 HD23 LEU A 76 22.597 24.870 27.855 1.00 0.00 H new ATOM 1218 N ARG A 77 22.000 24.448 31.791 1.00 0.00 N ATOM 1219 CA ARG A 77 21.848 25.411 32.897 1.00 0.00 C ATOM 1220 C ARG A 77 22.506 26.738 32.522 1.00 0.00 C ATOM 1221 O ARG A 77 23.692 26.761 32.212 1.00 0.00 O ATOM 1222 CB ARG A 77 22.426 24.789 34.183 1.00 0.00 C ATOM 1223 CG ARG A 77 22.482 25.766 35.368 1.00 0.00 C ATOM 1224 CD ARG A 77 23.084 25.113 36.616 1.00 0.00 C ATOM 1225 NE ARG A 77 22.223 24.041 37.148 1.00 0.00 N ATOM 1226 CZ ARG A 77 21.222 24.173 37.999 1.00 0.00 C ATOM 1227 NH1 ARG A 77 20.895 25.325 38.518 1.00 0.00 N ATOM 1228 NH2 ARG A 77 20.505 23.141 38.341 1.00 0.00 N ATOM 0 H ARG A 77 22.975 24.265 31.556 1.00 0.00 H new ATOM 0 HA ARG A 77 20.796 25.629 33.083 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.822 23.926 34.463 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.431 24.421 33.978 1.00 0.00 H new ATOM 0 HG2 ARG A 77 23.075 26.638 35.092 1.00 0.00 H new ATOM 0 HG3 ARG A 77 21.477 26.122 35.593 1.00 0.00 H new ATOM 0 HD2 ARG A 77 24.065 24.704 36.374 1.00 0.00 H new ATOM 0 HD3 ARG A 77 23.236 25.871 37.384 1.00 0.00 H new ATOM 0 HE ARG A 77 22.422 23.095 36.824 1.00 0.00 H new ATOM 0 HH11 ARG A 77 21.420 26.164 38.269 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.115 25.387 39.172 1.00 0.00 H new ATOM 0 HH21 ARG A 77 20.715 22.222 37.951 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.733 23.251 38.999 1.00 0.00 H new ATOM 1242 N VAL A 78 21.753 27.837 32.577 1.00 0.00 N ATOM 1243 CA VAL A 78 22.207 29.214 32.292 1.00 0.00 C ATOM 1244 C VAL A 78 21.615 30.167 33.333 1.00 0.00 C ATOM 1245 O VAL A 78 20.474 29.986 33.759 1.00 0.00 O ATOM 1246 CB VAL A 78 21.824 29.647 30.858 1.00 0.00 C ATOM 1247 CG1 VAL A 78 22.214 31.101 30.549 1.00 0.00 C ATOM 1248 CG2 VAL A 78 22.496 28.764 29.798 1.00 0.00 C ATOM 0 H VAL A 78 20.766 27.799 32.832 1.00 0.00 H new ATOM 0 HA VAL A 78 23.295 29.248 32.355 1.00 0.00 H new ATOM 0 HB VAL A 78 20.740 29.542 30.817 1.00 0.00 H new ATOM 0 HG11 VAL A 78 21.920 31.348 29.529 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.706 31.769 31.244 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.292 31.219 30.654 1.00 0.00 H new ATOM 0 HG21 VAL A 78 22.201 29.101 28.804 1.00 0.00 H new ATOM 0 HG22 VAL A 78 23.579 28.835 29.899 1.00 0.00 H new ATOM 0 HG23 VAL A 78 22.186 27.728 29.937 1.00 0.00 H new ATOM 1258 N GLU A 79 22.384 31.170 33.765 1.00 0.00 N ATOM 1259 CA GLU A 79 22.000 32.099 34.843 1.00 0.00 C ATOM 1260 C GLU A 79 22.619 33.508 34.646 1.00 0.00 C ATOM 1261 O GLU A 79 23.316 33.754 33.657 1.00 0.00 O ATOM 1262 CB GLU A 79 22.265 31.397 36.204 1.00 0.00 C ATOM 1263 CG GLU A 79 23.415 31.905 37.094 1.00 0.00 C ATOM 1264 CD GLU A 79 22.990 32.951 38.147 1.00 0.00 C ATOM 1265 OE1 GLU A 79 21.790 33.315 38.226 1.00 0.00 O ATOM 1266 OE2 GLU A 79 23.876 33.428 38.896 1.00 0.00 O ATOM 0 H GLU A 79 23.305 31.366 33.373 1.00 0.00 H new ATOM 0 HA GLU A 79 20.933 32.322 34.821 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.347 31.454 36.788 1.00 0.00 H new ATOM 0 HB3 GLU A 79 22.448 30.342 36.000 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.866 31.054 37.605 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.186 32.340 36.458 1.00 0.00 H new ATOM 1273 N VAL A 80 22.328 34.450 35.554 1.00 0.00 N ATOM 1274 CA VAL A 80 22.797 35.855 35.559 1.00 0.00 C ATOM 1275 C VAL A 80 24.326 36.005 35.365 1.00 0.00 C ATOM 1276 O VAL A 80 25.074 35.099 35.745 1.00 0.00 O ATOM 1277 CB VAL A 80 22.290 36.538 36.865 1.00 0.00 C ATOM 1278 CG1 VAL A 80 23.226 37.525 37.584 1.00 0.00 C ATOM 1279 CG2 VAL A 80 20.957 37.246 36.586 1.00 0.00 C ATOM 0 H VAL A 80 21.726 34.247 36.352 1.00 0.00 H new ATOM 0 HA VAL A 80 22.374 36.361 34.691 1.00 0.00 H new ATOM 0 HB VAL A 80 22.208 35.702 37.560 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.730 37.914 38.473 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.142 37.011 37.875 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.469 38.350 36.914 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.601 37.724 37.499 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.101 38.001 35.813 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.221 36.516 36.248 1.00 0.00 H new ATOM 1289 N PRO A 81 24.816 37.144 34.815 1.00 0.00 N ATOM 1290 CA PRO A 81 26.241 37.462 34.577 1.00 0.00 C ATOM 1291 C PRO A 81 27.110 37.644 35.853 1.00 0.00 C ATOM 1292 O PRO A 81 27.873 38.606 35.964 1.00 0.00 O ATOM 1293 CB PRO A 81 26.209 38.722 33.684 1.00 0.00 C ATOM 1294 CG PRO A 81 24.928 39.421 34.111 1.00 0.00 C ATOM 1295 CD PRO A 81 24.000 38.220 34.250 1.00 0.00 C ATOM 0 HA PRO A 81 26.741 36.618 34.102 1.00 0.00 H new ATOM 0 HB2 PRO A 81 27.084 39.352 33.845 1.00 0.00 H new ATOM 0 HB3 PRO A 81 26.193 38.464 32.625 1.00 0.00 H new ATOM 0 HG2 PRO A 81 25.044 39.967 35.047 1.00 0.00 H new ATOM 0 HG3 PRO A 81 24.576 40.135 33.367 1.00 0.00 H new ATOM 0 HD2 PRO A 81 23.156 38.452 34.900 1.00 0.00 H new ATOM 0 HD3 PRO A 81 23.588 37.931 33.283 1.00 0.00 H new ATOM 1303 N PHE A 82 27.002 36.743 36.837 1.00 0.00 N ATOM 1304 CA PHE A 82 27.716 36.749 38.129 1.00 0.00 C ATOM 1305 C PHE A 82 27.561 38.059 38.948 1.00 0.00 C ATOM 1306 O PHE A 82 28.401 38.360 39.799 1.00 0.00 O ATOM 1307 CB PHE A 82 29.195 36.348 37.938 1.00 0.00 C ATOM 1308 CG PHE A 82 29.478 34.991 37.317 1.00 0.00 C ATOM 1309 CD1 PHE A 82 29.447 34.831 35.922 1.00 0.00 C ATOM 1310 CD2 PHE A 82 29.870 33.905 38.127 1.00 0.00 C ATOM 1311 CE1 PHE A 82 29.826 33.611 35.332 1.00 0.00 C ATOM 1312 CE2 PHE A 82 30.236 32.681 37.538 1.00 0.00 C ATOM 1313 CZ PHE A 82 30.221 32.535 36.143 1.00 0.00 C ATOM 0 H PHE A 82 26.378 35.941 36.752 1.00 0.00 H new ATOM 0 HA PHE A 82 27.228 35.993 38.744 1.00 0.00 H new ATOM 0 HB2 PHE A 82 29.672 37.108 37.319 1.00 0.00 H new ATOM 0 HB3 PHE A 82 29.681 36.380 38.913 1.00 0.00 H new ATOM 0 HD1 PHE A 82 29.129 35.652 35.296 1.00 0.00 H new ATOM 0 HD2 PHE A 82 29.889 34.013 39.201 1.00 0.00 H new ATOM 0 HE1 PHE A 82 29.813 33.503 34.258 1.00 0.00 H new ATOM 0 HE2 PHE A 82 30.530 31.850 38.162 1.00 0.00 H new ATOM 0 HZ PHE A 82 30.513 31.597 35.694 1.00 0.00 H new ATOM 1323 N ASN A 83 26.493 38.829 38.691 1.00 0.00 N ATOM 1324 CA ASN A 83 26.255 40.207 39.151 1.00 0.00 C ATOM 1325 C ASN A 83 27.347 41.199 38.671 1.00 0.00 C ATOM 1326 O ASN A 83 28.455 41.252 39.208 1.00 0.00 O ATOM 1327 CB ASN A 83 25.995 40.250 40.671 1.00 0.00 C ATOM 1328 CG ASN A 83 24.916 39.281 41.124 1.00 0.00 C ATOM 1329 OD1 ASN A 83 25.179 38.179 41.586 1.00 0.00 O ATOM 1330 ND2 ASN A 83 23.659 39.649 41.001 1.00 0.00 N ATOM 0 H ASN A 83 25.722 38.484 38.119 1.00 0.00 H new ATOM 0 HA ASN A 83 25.340 40.560 38.674 1.00 0.00 H new ATOM 0 HB2 ASN A 83 26.922 40.023 41.198 1.00 0.00 H new ATOM 0 HB3 ASN A 83 25.707 41.262 40.955 1.00 0.00 H new ATOM 0 HD21 ASN A 83 22.912 39.017 41.290 1.00 0.00 H new ATOM 0 HD22 ASN A 83 23.431 40.566 40.617 1.00 0.00 H new ATOM 1337 N ALA A 84 27.010 42.012 37.661 1.00 0.00 N ATOM 1338 CA ALA A 84 27.919 42.935 36.968 1.00 0.00 C ATOM 1339 C ALA A 84 27.253 44.294 36.653 1.00 0.00 C ATOM 1340 O ALA A 84 26.046 44.467 36.851 1.00 0.00 O ATOM 1341 CB ALA A 84 28.422 42.234 35.697 1.00 0.00 C ATOM 0 H ALA A 84 26.060 42.046 37.290 1.00 0.00 H new ATOM 0 HA ALA A 84 28.760 43.174 37.619 1.00 0.00 H new ATOM 0 HB1 ALA A 84 29.101 42.897 35.160 1.00 0.00 H new ATOM 0 HB2 ALA A 84 28.948 41.319 35.970 1.00 0.00 H new ATOM 0 HB3 ALA A 84 27.574 41.988 35.058 1.00 0.00 H new ATOM 1347 N ARG A 85 28.047 45.258 36.148 1.00 0.00 N ATOM 1348 CA ARG A 85 27.633 46.639 35.808 1.00 0.00 C ATOM 1349 C ARG A 85 27.087 47.437 37.012 1.00 0.00 C ATOM 1350 O ARG A 85 26.243 48.323 36.867 1.00 0.00 O ATOM 1351 CB ARG A 85 26.741 46.609 34.545 1.00 0.00 C ATOM 1352 CG ARG A 85 26.682 47.941 33.779 1.00 0.00 C ATOM 1353 CD ARG A 85 26.005 47.755 32.417 1.00 0.00 C ATOM 1354 NE ARG A 85 25.796 49.052 31.738 1.00 0.00 N ATOM 1355 CZ ARG A 85 24.735 49.834 31.839 1.00 0.00 C ATOM 1356 NH1 ARG A 85 23.671 49.470 32.488 1.00 0.00 N ATOM 1357 NH2 ARG A 85 24.716 51.008 31.281 1.00 0.00 N ATOM 0 H ARG A 85 29.035 45.092 35.957 1.00 0.00 H new ATOM 0 HA ARG A 85 28.513 47.227 35.548 1.00 0.00 H new ATOM 0 HB2 ARG A 85 27.109 45.833 33.873 1.00 0.00 H new ATOM 0 HB3 ARG A 85 25.729 46.326 34.836 1.00 0.00 H new ATOM 0 HG2 ARG A 85 26.134 48.679 34.365 1.00 0.00 H new ATOM 0 HG3 ARG A 85 27.690 48.330 33.639 1.00 0.00 H new ATOM 0 HD2 ARG A 85 26.618 47.108 31.789 1.00 0.00 H new ATOM 0 HD3 ARG A 85 25.046 47.254 32.551 1.00 0.00 H new ATOM 0 HE ARG A 85 26.548 49.376 31.129 1.00 0.00 H new ATOM 0 HH11 ARG A 85 23.637 48.556 32.939 1.00 0.00 H new ATOM 0 HH12 ARG A 85 22.869 50.098 32.547 1.00 0.00 H new ATOM 0 HH21 ARG A 85 25.527 51.337 30.757 1.00 0.00 H new ATOM 0 HH22 ARG A 85 23.890 51.600 31.367 1.00 0.00 H new ATOM 1371 N GLU A 86 27.599 47.129 38.206 1.00 0.00 N ATOM 1372 CA GLU A 86 27.279 47.757 39.504 1.00 0.00 C ATOM 1373 C GLU A 86 28.487 47.744 40.462 1.00 0.00 C ATOM 1374 O GLU A 86 29.081 46.661 40.668 1.00 0.00 O ATOM 1375 CB GLU A 86 26.044 47.069 40.118 1.00 0.00 C ATOM 1376 CG GLU A 86 25.595 47.711 41.443 1.00 0.00 C ATOM 1377 CD GLU A 86 24.375 47.011 42.094 1.00 0.00 C ATOM 1378 OE1 GLU A 86 23.521 46.423 41.385 1.00 0.00 O ATOM 1379 OE2 GLU A 86 24.247 47.062 43.344 1.00 0.00 O ATOM 1380 OXT GLU A 86 28.843 48.822 40.986 1.00 0.00 O ATOM 0 H GLU A 86 28.293 46.388 38.306 1.00 0.00 H new ATOM 0 HA GLU A 86 27.042 48.807 39.336 1.00 0.00 H new ATOM 0 HB2 GLU A 86 25.221 47.108 39.404 1.00 0.00 H new ATOM 0 HB3 GLU A 86 26.269 46.016 40.288 1.00 0.00 H new ATOM 0 HG2 GLU A 86 26.429 47.695 42.145 1.00 0.00 H new ATOM 0 HG3 GLU A 86 25.349 48.758 41.264 1.00 0.00 H new TER 1387 GLU A 86 ATOM 1388 O5' A B 101 23.507 23.439 41.757 1.00 0.00 O ATOM 1389 C5' A B 101 24.085 22.922 40.565 1.00 0.00 C ATOM 1390 C4' A B 101 25.074 23.895 39.902 1.00 0.00 C ATOM 1391 O4' A B 101 24.374 25.063 39.487 1.00 0.00 O ATOM 1392 C3' A B 101 26.235 24.326 40.823 1.00 0.00 C ATOM 1393 O3' A B 101 27.426 24.311 40.043 1.00 0.00 O ATOM 1394 C2' A B 101 25.763 25.731 41.255 1.00 0.00 C ATOM 1395 O2' A B 101 26.766 26.665 41.653 1.00 0.00 O ATOM 1396 C1' A B 101 25.060 26.194 39.984 1.00 0.00 C ATOM 1397 N9 A B 101 24.146 27.339 40.212 1.00 0.00 N ATOM 1398 C8 A B 101 24.236 28.602 39.677 1.00 0.00 C ATOM 1399 N7 A B 101 23.287 29.418 40.058 1.00 0.00 N ATOM 1400 C5 A B 101 22.503 28.620 40.908 1.00 0.00 C ATOM 1401 C6 A B 101 21.329 28.831 41.679 1.00 0.00 C ATOM 1402 N6 A B 101 20.666 29.968 41.766 1.00 0.00 N ATOM 1403 N1 A B 101 20.789 27.849 42.402 1.00 0.00 N ATOM 1404 C2 A B 101 21.386 26.664 42.380 1.00 0.00 C ATOM 1405 N3 A B 101 22.485 26.313 41.717 1.00 0.00 N ATOM 1406 C4 A B 101 23.010 27.349 40.992 1.00 0.00 C ATOM 0 H5' A B 101 23.291 22.683 39.858 1.00 0.00 H new ATOM 0 H5'' A B 101 24.600 21.989 40.793 1.00 0.00 H new ATOM 0 H4' A B 101 25.512 23.360 39.059 1.00 0.00 H new ATOM 0 H3' A B 101 26.457 23.704 41.690 1.00 0.00 H new ATOM 0 H2' A B 101 25.166 25.679 42.165 1.00 0.00 H new ATOM 0 HO2' A B 101 27.587 26.184 41.888 1.00 0.00 H new ATOM 0 HO5' A B 101 23.224 24.365 41.608 1.00 0.00 H new ATOM 0 H1' A B 101 25.786 26.570 39.263 1.00 0.00 H new ATOM 0 H8 A B 101 25.024 28.896 38.999 1.00 0.00 H new ATOM 0 H61 A B 101 19.829 30.027 42.347 1.00 0.00 H new ATOM 0 H62 A B 101 20.990 30.788 41.253 1.00 0.00 H new ATOM 0 H2 A B 101 20.923 25.889 42.973 1.00 0.00 H new ATOM 1419 P C B 102 28.867 24.029 40.702 1.00 0.00 P ATOM 1420 OP1 C B 102 29.186 22.595 40.490 1.00 0.00 O ATOM 1421 OP2 C B 102 28.918 24.555 42.090 1.00 0.00 O ATOM 1422 O5' C B 102 29.875 24.912 39.803 1.00 0.00 O ATOM 1423 C5' C B 102 29.491 26.193 39.329 1.00 0.00 C ATOM 1424 C4' C B 102 30.629 27.220 39.379 1.00 0.00 C ATOM 1425 O4' C B 102 30.097 28.479 38.954 1.00 0.00 O ATOM 1426 C3' C B 102 31.164 27.438 40.802 1.00 0.00 C ATOM 1427 O3' C B 102 32.463 28.022 40.759 1.00 0.00 O ATOM 1428 C2' C B 102 30.156 28.487 41.295 1.00 0.00 C ATOM 1429 O2' C B 102 30.550 29.116 42.512 1.00 0.00 O ATOM 1430 C1' C B 102 30.139 29.392 40.053 1.00 0.00 C ATOM 1431 N1 C B 102 29.031 30.393 40.069 1.00 0.00 N ATOM 1432 C2 C B 102 29.178 31.530 40.882 1.00 0.00 C ATOM 1433 O2 C B 102 30.171 31.691 41.594 1.00 0.00 O ATOM 1434 N3 C B 102 28.231 32.497 40.905 1.00 0.00 N ATOM 1435 C4 C B 102 27.188 32.372 40.114 1.00 0.00 C ATOM 1436 N4 C B 102 26.327 33.344 40.201 1.00 0.00 N ATOM 1437 C5 C B 102 26.995 31.273 39.232 1.00 0.00 C ATOM 1438 C6 C B 102 27.943 30.300 39.232 1.00 0.00 C ATOM 0 H5' C B 102 28.654 26.558 39.924 1.00 0.00 H new ATOM 0 H5'' C B 102 29.136 26.102 38.302 1.00 0.00 H new ATOM 0 H4' C B 102 31.437 26.848 38.749 1.00 0.00 H new ATOM 0 H3' C B 102 31.252 26.535 41.406 1.00 0.00 H new ATOM 0 H2' C B 102 29.174 28.117 41.589 1.00 0.00 H new ATOM 0 HO2' C B 102 30.461 30.088 42.422 1.00 0.00 H new ATOM 0 H1' C B 102 31.017 30.035 39.995 1.00 0.00 H new ATOM 0 H41 C B 102 25.486 33.333 39.625 1.00 0.00 H new ATOM 0 H42 C B 102 26.494 34.117 40.846 1.00 0.00 H new ATOM 0 H5 C B 102 26.130 31.214 38.588 1.00 0.00 H new ATOM 0 H6 C B 102 27.842 29.451 38.573 1.00 0.00 H new ATOM 1450 P A B 103 33.804 27.174 40.877 1.00 0.00 P ATOM 1451 OP1 A B 103 34.241 26.767 39.521 1.00 0.00 O ATOM 1452 OP2 A B 103 33.649 26.147 41.940 1.00 0.00 O ATOM 1453 O5' A B 103 34.755 28.334 41.469 1.00 0.00 O ATOM 1454 C5' A B 103 36.099 28.556 41.068 1.00 0.00 C ATOM 1455 C4' A B 103 36.298 29.127 39.645 1.00 0.00 C ATOM 1456 O4' A B 103 35.300 30.083 39.265 1.00 0.00 O ATOM 1457 C3' A B 103 37.654 29.854 39.567 1.00 0.00 C ATOM 1458 O3' A B 103 38.233 29.694 38.280 1.00 0.00 O ATOM 1459 C2' A B 103 37.206 31.310 39.770 1.00 0.00 C ATOM 1460 O2' A B 103 38.168 32.289 39.376 1.00 0.00 O ATOM 1461 C1' A B 103 35.963 31.281 38.884 1.00 0.00 C ATOM 1462 N9 A B 103 35.098 32.482 38.973 1.00 0.00 N ATOM 1463 C8 A B 103 34.760 33.333 37.947 1.00 0.00 C ATOM 1464 N7 A B 103 33.894 34.264 38.267 1.00 0.00 N ATOM 1465 C5 A B 103 33.637 33.989 39.621 1.00 0.00 C ATOM 1466 C6 A B 103 32.796 34.557 40.614 1.00 0.00 C ATOM 1467 N6 A B 103 31.946 35.549 40.422 1.00 0.00 N ATOM 1468 N1 A B 103 32.793 34.106 41.867 1.00 0.00 N ATOM 1469 C2 A B 103 33.580 33.074 42.152 1.00 0.00 C ATOM 1470 N3 A B 103 34.405 32.425 41.337 1.00 0.00 N ATOM 1471 C4 A B 103 34.388 32.931 40.067 1.00 0.00 C ATOM 0 H5' A B 103 36.638 27.611 41.137 1.00 0.00 H new ATOM 0 H5'' A B 103 36.561 29.240 41.780 1.00 0.00 H new ATOM 0 H4' A B 103 36.237 28.271 38.973 1.00 0.00 H new ATOM 0 H3' A B 103 38.402 29.499 40.275 1.00 0.00 H new ATOM 0 H2' A B 103 37.047 31.605 40.807 1.00 0.00 H new ATOM 0 HO2' A B 103 38.721 31.931 38.651 1.00 0.00 H new ATOM 0 H1' A B 103 36.237 31.297 37.829 1.00 0.00 H new ATOM 0 H8 A B 103 35.176 33.242 36.954 1.00 0.00 H new ATOM 0 H61 A B 103 31.380 35.893 41.198 1.00 0.00 H new ATOM 0 H62 A B 103 31.855 35.971 39.498 1.00 0.00 H new ATOM 0 H2 A B 103 33.545 32.719 43.171 1.00 0.00 H new ATOM 1483 P U B 104 39.200 28.480 37.944 1.00 0.00 P ATOM 1484 OP1 U B 104 38.352 27.280 37.778 1.00 0.00 O ATOM 1485 OP2 U B 104 40.359 28.469 38.868 1.00 0.00 O ATOM 1486 O5' U B 104 39.661 28.929 36.481 1.00 0.00 O ATOM 1487 C5' U B 104 40.350 30.151 36.258 1.00 0.00 C ATOM 1488 C4' U B 104 40.077 30.616 34.826 1.00 0.00 C ATOM 1489 O4' U B 104 38.689 30.867 34.605 1.00 0.00 O ATOM 1490 C3' U B 104 40.769 31.938 34.482 1.00 0.00 C ATOM 1491 O3' U B 104 42.168 31.833 34.253 1.00 0.00 O ATOM 1492 C2' U B 104 39.990 32.309 33.214 1.00 0.00 C ATOM 1493 O2' U B 104 40.548 31.688 32.057 1.00 0.00 O ATOM 1494 C1' U B 104 38.603 31.705 33.459 1.00 0.00 C ATOM 1495 N1 U B 104 37.544 32.756 33.534 1.00 0.00 N ATOM 1496 C2 U B 104 37.534 33.674 34.600 1.00 0.00 C ATOM 1497 O2 U B 104 38.320 33.661 35.543 1.00 0.00 O ATOM 1498 N3 U B 104 36.568 34.660 34.570 1.00 0.00 N ATOM 1499 C4 U B 104 35.607 34.819 33.604 1.00 0.00 C ATOM 1500 O4 U B 104 34.771 35.707 33.714 1.00 0.00 O ATOM 1501 C5 U B 104 35.673 33.848 32.536 1.00 0.00 C ATOM 1502 C6 U B 104 36.597 32.848 32.534 1.00 0.00 C ATOM 0 H5' U B 104 41.420 30.015 36.413 1.00 0.00 H new ATOM 0 H5'' U B 104 40.018 30.907 36.970 1.00 0.00 H new ATOM 0 H4' U B 104 40.456 29.801 34.209 1.00 0.00 H new ATOM 0 H3' U B 104 40.743 32.672 35.288 1.00 0.00 H new ATOM 0 H2' U B 104 39.996 33.385 33.038 1.00 0.00 H new ATOM 0 HO2' U B 104 41.502 31.518 32.205 1.00 0.00 H new ATOM 0 H1' U B 104 38.292 31.089 32.615 1.00 0.00 H new ATOM 0 H3 U B 104 36.569 35.332 35.337 1.00 0.00 H new ATOM 0 H5 U B 104 34.971 33.917 31.718 1.00 0.00 H new ATOM 0 H6 U B 104 36.589 32.117 31.739 1.00 0.00 H new ATOM 1513 P C B 105 43.079 33.146 34.060 1.00 0.00 P ATOM 1514 OP1 C B 105 42.282 34.211 33.407 1.00 0.00 O ATOM 1515 OP2 C B 105 44.343 32.724 33.420 1.00 0.00 O ATOM 1516 O5' C B 105 43.389 33.659 35.554 1.00 0.00 O ATOM 1517 C5' C B 105 44.310 32.997 36.407 1.00 0.00 C ATOM 1518 C4' C B 105 45.163 33.984 37.225 1.00 0.00 C ATOM 1519 O4' C B 105 45.917 34.827 36.348 1.00 0.00 O ATOM 1520 C3' C B 105 44.359 34.914 38.160 1.00 0.00 C ATOM 1521 O3' C B 105 45.102 35.296 39.324 1.00 0.00 O ATOM 1522 C2' C B 105 44.180 36.139 37.250 1.00 0.00 C ATOM 1523 O2' C B 105 43.838 37.349 37.926 1.00 0.00 O ATOM 1524 C1' C B 105 45.567 36.182 36.607 1.00 0.00 C ATOM 1525 N1 C B 105 45.618 37.015 35.370 1.00 0.00 N ATOM 1526 C2 C B 105 46.427 38.161 35.348 1.00 0.00 C ATOM 1527 O2 C B 105 47.128 38.487 36.309 1.00 0.00 O ATOM 1528 N3 C B 105 46.460 38.962 34.249 1.00 0.00 N ATOM 1529 C4 C B 105 45.722 38.634 33.207 1.00 0.00 C ATOM 1530 N4 C B 105 45.793 39.439 32.182 1.00 0.00 N ATOM 1531 C5 C B 105 44.894 37.479 33.163 1.00 0.00 C ATOM 1532 C6 C B 105 44.867 36.690 34.267 1.00 0.00 C ATOM 0 H5' C B 105 44.965 32.364 35.809 1.00 0.00 H new ATOM 0 H5'' C B 105 43.766 32.341 37.086 1.00 0.00 H new ATOM 0 H4' C B 105 45.795 33.349 37.846 1.00 0.00 H new ATOM 0 H3' C B 105 43.446 34.457 38.541 1.00 0.00 H new ATOM 0 H2' C B 105 43.341 36.055 36.559 1.00 0.00 H new ATOM 0 HO2' C B 105 44.114 37.289 38.864 1.00 0.00 H new ATOM 0 H1' C B 105 46.279 36.662 37.278 1.00 0.00 H new ATOM 0 H41 C B 105 45.248 39.245 31.342 1.00 0.00 H new ATOM 0 H42 C B 105 46.394 40.262 32.221 1.00 0.00 H new ATOM 0 H5 C B 105 44.310 37.239 32.287 1.00 0.00 H new ATOM 0 H6 C B 105 44.252 35.802 34.278 1.00 0.00 H new ATOM 1544 P A B 106 45.386 34.308 40.556 1.00 0.00 P ATOM 1545 OP1 A B 106 44.200 33.439 40.749 1.00 0.00 O ATOM 1546 OP2 A B 106 45.867 35.126 41.695 1.00 0.00 O ATOM 1547 O5' A B 106 46.603 33.384 40.062 1.00 0.00 O ATOM 1548 C5' A B 106 47.808 33.954 39.568 1.00 0.00 C ATOM 1549 C4' A B 106 48.701 32.874 38.936 1.00 0.00 C ATOM 1550 O4' A B 106 47.983 32.000 38.077 1.00 0.00 O ATOM 1551 C3' A B 106 49.784 33.458 38.027 1.00 0.00 C ATOM 1552 O3' A B 106 50.898 33.992 38.737 1.00 0.00 O ATOM 1553 C2' A B 106 50.171 32.244 37.161 1.00 0.00 C ATOM 1554 O2' A B 106 51.315 31.557 37.676 1.00 0.00 O ATOM 1555 C1' A B 106 48.942 31.324 37.281 1.00 0.00 C ATOM 1556 N9 A B 106 48.353 30.947 35.975 1.00 0.00 N ATOM 1557 C8 A B 106 47.919 31.756 34.950 1.00 0.00 C ATOM 1558 N7 A B 106 47.478 31.105 33.903 1.00 0.00 N ATOM 1559 C5 A B 106 47.610 29.758 34.283 1.00 0.00 C ATOM 1560 C6 A B 106 47.319 28.506 33.679 1.00 0.00 C ATOM 1561 N6 A B 106 46.787 28.337 32.482 1.00 0.00 N ATOM 1562 N1 A B 106 47.571 27.357 34.306 1.00 0.00 N ATOM 1563 C2 A B 106 48.102 27.418 35.521 1.00 0.00 C ATOM 1564 N3 A B 106 48.425 28.505 36.220 1.00 0.00 N ATOM 1565 C4 A B 106 48.149 29.656 35.540 1.00 0.00 C ATOM 0 H5' A B 106 48.343 34.446 40.380 1.00 0.00 H new ATOM 0 H5'' A B 106 47.577 34.721 38.828 1.00 0.00 H new ATOM 0 H4' A B 106 49.117 32.359 39.802 1.00 0.00 H new ATOM 0 H3' A B 106 49.433 34.316 37.454 1.00 0.00 H new ATOM 0 H2' A B 106 50.425 32.539 36.143 1.00 0.00 H new ATOM 0 HO2' A B 106 51.864 32.180 38.197 1.00 0.00 H new ATOM 0 HO3' A B 106 51.553 34.347 38.100 1.00 0.00 H new ATOM 0 H1' A B 106 49.258 30.386 37.737 1.00 0.00 H new ATOM 0 H8 A B 106 47.940 32.834 35.004 1.00 0.00 H new ATOM 0 H61 A B 106 46.613 27.396 32.129 1.00 0.00 H new ATOM 0 H62 A B 106 46.550 29.148 31.910 1.00 0.00 H new ATOM 0 H2 A B 106 48.296 26.470 36.002 1.00 0.00 H new TER 1578 A B 106