USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=25 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 11 TYR OH : rot 139:sc= 0.235 USER MOD Set 1.2: B 101 A O2' : rot 180:sc= 0.4 USER MOD Single : A 0 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.5) USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0622) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0536 USER MOD Single : A 8 SER OG : rot -140:sc= 0 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 14 ASN : amide:sc= 0 X(o=0,f=-0.4) 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=-0.1) 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= 0.727 K(o=0.73,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=-0.0041) USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= 1.04 (180deg=0.214) USER MOD Single : A 37 CYS SG : rot 144:sc= -0.481 USER MOD Single : A 40 LYS NZ :NH3+ 140:sc= 1.52 (180deg=0.378) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 44 SER OG : rot -19:sc= 0.0361 USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0101) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.0325 USER MOD Single : A 74 ASN : amide:sc= 1.12 K(o=1.1,f=-0.032) USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0156) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : B 101 A O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot 173:sc= 0.628 USER MOD Single : B 103 A O2' : rot 122:sc= 0.24 USER MOD Single : B 104 U O2' : rot -0:sc= 1.71 USER MOD Single : B 105 C O2' : rot -27:sc= 0.00944 USER MOD Single : B 106 A O2' : rot -16:sc= 0.11 USER MOD Single : B 106 A O3' : rot 180:sc= 0.118 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 30.698 43.119 41.908 1.00 0.00 N ATOM 2 CA GLY A -2 29.896 41.888 41.738 1.00 0.00 C ATOM 3 C GLY A -2 28.409 42.208 41.707 1.00 0.00 C ATOM 4 O GLY A -2 27.942 42.877 40.784 1.00 0.00 O ATOM 0 H1 GLY A -2 31.709 42.875 41.926 1.00 0.00 H new ATOM 0 H2 GLY A -2 30.512 43.767 41.116 1.00 0.00 H new ATOM 0 H3 GLY A -2 30.438 43.582 42.802 1.00 0.00 H new ATOM 0 HA2 GLY A -2 30.183 41.387 40.814 1.00 0.00 H new ATOM 0 HA3 GLY A -2 30.106 41.197 42.554 1.00 0.00 H new ATOM 10 N SER A -1 27.666 41.743 42.714 1.00 0.00 N ATOM 11 CA SER A -1 26.224 42.004 42.897 1.00 0.00 C ATOM 12 C SER A -1 25.902 43.477 43.216 1.00 0.00 C ATOM 13 O SER A -1 26.793 44.250 43.588 1.00 0.00 O ATOM 14 CB SER A -1 25.684 41.123 44.036 1.00 0.00 C ATOM 15 OG SER A -1 25.995 39.755 43.812 1.00 0.00 O ATOM 0 H SER A -1 28.057 41.156 43.451 1.00 0.00 H new ATOM 0 HA SER A -1 25.744 41.766 41.948 1.00 0.00 H new ATOM 0 HB2 SER A -1 26.112 41.446 44.985 1.00 0.00 H new ATOM 0 HB3 SER A -1 24.604 41.246 44.115 1.00 0.00 H new ATOM 0 HG SER A -1 25.643 39.214 44.550 1.00 0.00 H new ATOM 21 N HIS A 0 24.613 43.839 43.141 1.00 0.00 N ATOM 22 CA HIS A 0 24.049 45.176 43.403 1.00 0.00 C ATOM 23 C HIS A 0 24.501 46.266 42.404 1.00 0.00 C ATOM 24 O HIS A 0 25.286 46.013 41.485 1.00 0.00 O ATOM 25 CB HIS A 0 24.234 45.541 44.893 1.00 0.00 C ATOM 26 CG HIS A 0 23.390 46.702 45.360 1.00 0.00 C ATOM 27 ND1 HIS A 0 21.995 46.752 45.317 1.00 0.00 N ATOM 28 CD2 HIS A 0 23.857 47.887 45.850 1.00 0.00 C ATOM 29 CE1 HIS A 0 21.653 47.964 45.793 1.00 0.00 C ATOM 30 NE2 HIS A 0 22.753 48.664 46.116 1.00 0.00 N ATOM 0 H HIS A 0 23.891 43.167 42.880 1.00 0.00 H new ATOM 0 HA HIS A 0 22.977 45.129 43.213 1.00 0.00 H new ATOM 0 HB2 HIS A 0 23.997 44.668 45.501 1.00 0.00 H new ATOM 0 HB3 HIS A 0 25.284 45.776 45.069 1.00 0.00 H new ATOM 0 HD2 HIS A 0 24.891 48.161 46.000 1.00 0.00 H new ATOM 0 HE1 HIS A 0 20.640 48.322 45.900 1.00 0.00 H new ATOM 0 HE2 HIS A 0 22.767 49.611 46.494 1.00 0.00 H new ATOM 38 N MET A 1 23.961 47.481 42.546 1.00 0.00 N ATOM 39 CA MET A 1 24.222 48.645 41.688 1.00 0.00 C ATOM 40 C MET A 1 25.699 49.088 41.755 1.00 0.00 C ATOM 41 O MET A 1 26.115 49.798 42.674 1.00 0.00 O ATOM 42 CB MET A 1 23.240 49.761 42.092 1.00 0.00 C ATOM 43 CG MET A 1 23.344 51.009 41.210 1.00 0.00 C ATOM 44 SD MET A 1 22.085 52.261 41.586 1.00 0.00 S ATOM 45 CE MET A 1 22.485 53.504 40.326 1.00 0.00 C ATOM 0 H MET A 1 23.301 47.691 43.295 1.00 0.00 H new ATOM 0 HA MET A 1 24.055 48.387 40.642 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.222 49.374 42.044 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.426 50.041 43.129 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.333 51.450 41.332 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.253 50.715 40.164 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.737 54.297 40.347 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.468 53.927 40.532 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.490 53.036 39.342 1.00 0.00 H new ATOM 55 N VAL A 2 26.499 48.641 40.779 1.00 0.00 N ATOM 56 CA VAL A 2 27.969 48.803 40.749 1.00 0.00 C ATOM 57 C VAL A 2 28.434 50.202 40.306 1.00 0.00 C ATOM 58 O VAL A 2 29.478 50.670 40.759 1.00 0.00 O ATOM 59 CB VAL A 2 28.582 47.674 39.889 1.00 0.00 C ATOM 60 CG1 VAL A 2 28.280 47.816 38.390 1.00 0.00 C ATOM 61 CG2 VAL A 2 30.099 47.554 40.077 1.00 0.00 C ATOM 0 H VAL A 2 26.139 48.143 39.965 1.00 0.00 H new ATOM 0 HA VAL A 2 28.336 48.717 41.772 1.00 0.00 H new ATOM 0 HB VAL A 2 28.099 46.766 40.251 1.00 0.00 H new ATOM 0 HG11 VAL A 2 28.740 46.991 37.846 1.00 0.00 H new ATOM 0 HG12 VAL A 2 27.202 47.798 38.233 1.00 0.00 H new ATOM 0 HG13 VAL A 2 28.684 48.760 38.025 1.00 0.00 H new ATOM 0 HG21 VAL A 2 30.480 46.747 39.451 1.00 0.00 H new ATOM 0 HG22 VAL A 2 30.576 48.491 39.791 1.00 0.00 H new ATOM 0 HG23 VAL A 2 30.320 47.338 41.122 1.00 0.00 H new ATOM 71 N ILE A 3 27.636 50.887 39.472 1.00 0.00 N ATOM 72 CA ILE A 3 27.904 52.215 38.879 1.00 0.00 C ATOM 73 C ILE A 3 29.227 52.232 38.080 1.00 0.00 C ATOM 74 O ILE A 3 30.265 52.703 38.559 1.00 0.00 O ATOM 75 CB ILE A 3 27.777 53.366 39.916 1.00 0.00 C ATOM 76 CG1 ILE A 3 26.482 53.228 40.755 1.00 0.00 C ATOM 77 CG2 ILE A 3 27.806 54.726 39.187 1.00 0.00 C ATOM 78 CD1 ILE A 3 26.241 54.350 41.772 1.00 0.00 C ATOM 0 H ILE A 3 26.735 50.512 39.174 1.00 0.00 H new ATOM 0 HA ILE A 3 27.118 52.409 38.149 1.00 0.00 H new ATOM 0 HB ILE A 3 28.622 53.307 40.603 1.00 0.00 H new ATOM 0 HG12 ILE A 3 25.631 53.186 40.076 1.00 0.00 H new ATOM 0 HG13 ILE A 3 26.512 52.277 41.287 1.00 0.00 H new ATOM 0 HG21 ILE A 3 27.717 55.532 39.916 1.00 0.00 H new ATOM 0 HG22 ILE A 3 28.747 54.829 38.646 1.00 0.00 H new ATOM 0 HG23 ILE A 3 26.975 54.780 38.484 1.00 0.00 H new ATOM 0 HD11 ILE A 3 25.311 54.162 42.308 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.068 54.382 42.481 1.00 0.00 H new ATOM 0 HD13 ILE A 3 26.173 55.305 41.251 1.00 0.00 H new ATOM 90 N ARG A 4 29.171 51.717 36.840 1.00 0.00 N ATOM 91 CA ARG A 4 30.319 51.509 35.928 1.00 0.00 C ATOM 92 C ARG A 4 31.393 50.572 36.519 1.00 0.00 C ATOM 93 O ARG A 4 31.173 49.942 37.554 1.00 0.00 O ATOM 94 CB ARG A 4 30.868 52.884 35.468 1.00 0.00 C ATOM 95 CG ARG A 4 31.191 52.972 33.968 1.00 0.00 C ATOM 96 CD ARG A 4 29.920 53.062 33.109 1.00 0.00 C ATOM 97 NE ARG A 4 30.247 53.244 31.681 1.00 0.00 N ATOM 98 CZ ARG A 4 29.434 53.676 30.731 1.00 0.00 C ATOM 99 NH1 ARG A 4 28.186 53.980 30.965 1.00 0.00 N ATOM 100 NH2 ARG A 4 29.865 53.817 29.510 1.00 0.00 N ATOM 0 H ARG A 4 28.288 51.420 36.424 1.00 0.00 H new ATOM 0 HA ARG A 4 29.972 50.979 35.041 1.00 0.00 H new ATOM 0 HB2 ARG A 4 30.137 53.654 35.715 1.00 0.00 H new ATOM 0 HB3 ARG A 4 31.771 53.108 36.035 1.00 0.00 H new ATOM 0 HG2 ARG A 4 31.816 53.845 33.783 1.00 0.00 H new ATOM 0 HG3 ARG A 4 31.769 52.097 33.670 1.00 0.00 H new ATOM 0 HD2 ARG A 4 29.328 52.155 33.236 1.00 0.00 H new ATOM 0 HD3 ARG A 4 29.305 53.894 33.452 1.00 0.00 H new ATOM 0 HE ARG A 4 31.199 53.013 31.397 1.00 0.00 H new ATOM 0 HH11 ARG A 4 27.807 53.888 31.907 1.00 0.00 H new ATOM 0 HH12 ARG A 4 27.590 54.310 30.206 1.00 0.00 H new ATOM 0 HH21 ARG A 4 30.834 53.594 29.282 1.00 0.00 H new ATOM 0 HH22 ARG A 4 29.234 54.150 28.782 1.00 0.00 H new ATOM 114 N GLU A 5 32.539 50.440 35.839 1.00 0.00 N ATOM 115 CA GLU A 5 33.625 49.487 36.149 1.00 0.00 C ATOM 116 C GLU A 5 33.176 48.000 36.147 1.00 0.00 C ATOM 117 O GLU A 5 32.031 47.676 35.815 1.00 0.00 O ATOM 118 CB GLU A 5 34.378 49.925 37.433 1.00 0.00 C ATOM 119 CG GLU A 5 35.449 50.997 37.187 1.00 0.00 C ATOM 120 CD GLU A 5 34.906 52.290 36.550 1.00 0.00 C ATOM 121 OE1 GLU A 5 34.450 53.185 37.301 1.00 0.00 O ATOM 122 OE2 GLU A 5 34.969 52.428 35.303 1.00 0.00 O ATOM 0 H GLU A 5 32.748 51.016 35.023 1.00 0.00 H new ATOM 0 HA GLU A 5 34.342 49.527 35.329 1.00 0.00 H new ATOM 0 HB2 GLU A 5 33.655 50.305 38.155 1.00 0.00 H new ATOM 0 HB3 GLU A 5 34.849 49.051 37.883 1.00 0.00 H new ATOM 0 HG2 GLU A 5 35.926 51.244 38.136 1.00 0.00 H new ATOM 0 HG3 GLU A 5 36.222 50.582 36.540 1.00 0.00 H new ATOM 129 N SER A 6 34.108 47.081 36.446 1.00 0.00 N ATOM 130 CA SER A 6 33.974 45.622 36.263 1.00 0.00 C ATOM 131 C SER A 6 33.749 45.200 34.792 1.00 0.00 C ATOM 132 O SER A 6 33.732 46.036 33.880 1.00 0.00 O ATOM 133 CB SER A 6 32.922 45.059 37.233 1.00 0.00 C ATOM 134 OG SER A 6 33.020 43.646 37.331 1.00 0.00 O ATOM 0 H SER A 6 35.013 47.342 36.838 1.00 0.00 H new ATOM 0 HA SER A 6 34.932 45.169 36.518 1.00 0.00 H new ATOM 0 HB2 SER A 6 33.056 45.505 38.218 1.00 0.00 H new ATOM 0 HB3 SER A 6 31.924 45.334 36.892 1.00 0.00 H new ATOM 0 HG SER A 6 32.341 43.314 37.955 1.00 0.00 H new ATOM 140 N VAL A 7 33.620 43.894 34.539 1.00 0.00 N ATOM 141 CA VAL A 7 33.384 43.306 33.206 1.00 0.00 C ATOM 142 C VAL A 7 32.341 42.190 33.310 1.00 0.00 C ATOM 143 O VAL A 7 32.492 41.258 34.105 1.00 0.00 O ATOM 144 CB VAL A 7 34.680 42.782 32.547 1.00 0.00 C ATOM 145 CG1 VAL A 7 34.432 42.499 31.060 1.00 0.00 C ATOM 146 CG2 VAL A 7 35.859 43.762 32.631 1.00 0.00 C ATOM 0 H VAL A 7 33.678 43.191 35.275 1.00 0.00 H new ATOM 0 HA VAL A 7 33.008 44.100 32.560 1.00 0.00 H new ATOM 0 HB VAL A 7 34.944 41.882 33.102 1.00 0.00 H new ATOM 0 HG11 VAL A 7 35.350 42.130 30.602 1.00 0.00 H new ATOM 0 HG12 VAL A 7 33.648 41.748 30.958 1.00 0.00 H new ATOM 0 HG13 VAL A 7 34.122 43.417 30.562 1.00 0.00 H new ATOM 0 HG21 VAL A 7 36.732 43.324 32.147 1.00 0.00 H new ATOM 0 HG22 VAL A 7 35.595 44.693 32.129 1.00 0.00 H new ATOM 0 HG23 VAL A 7 36.088 43.966 33.677 1.00 0.00 H new ATOM 156 N SER A 8 31.272 42.288 32.516 1.00 0.00 N ATOM 157 CA SER A 8 30.174 41.308 32.496 1.00 0.00 C ATOM 158 C SER A 8 30.600 39.968 31.883 1.00 0.00 C ATOM 159 O SER A 8 31.475 39.926 31.014 1.00 0.00 O ATOM 160 CB SER A 8 28.984 41.890 31.726 1.00 0.00 C ATOM 161 OG SER A 8 27.858 41.039 31.808 1.00 0.00 O ATOM 0 H SER A 8 31.139 43.058 31.860 1.00 0.00 H new ATOM 0 HA SER A 8 29.887 41.108 33.528 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.732 42.871 32.128 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.259 42.035 30.681 1.00 0.00 H new ATOM 0 HG SER A 8 27.404 41.013 30.940 1.00 0.00 H new ATOM 167 N ARG A 9 29.978 38.862 32.316 1.00 0.00 N ATOM 168 CA ARG A 9 30.208 37.508 31.783 1.00 0.00 C ATOM 169 C ARG A 9 28.906 36.694 31.748 1.00 0.00 C ATOM 170 O ARG A 9 27.940 37.024 32.434 1.00 0.00 O ATOM 171 CB ARG A 9 31.326 36.751 32.552 1.00 0.00 C ATOM 172 CG ARG A 9 32.385 37.591 33.294 1.00 0.00 C ATOM 173 CD ARG A 9 33.442 36.718 33.993 1.00 0.00 C ATOM 174 NE ARG A 9 34.431 37.545 34.719 1.00 0.00 N ATOM 175 CZ ARG A 9 35.594 37.153 35.214 1.00 0.00 C ATOM 176 NH1 ARG A 9 35.951 35.907 35.263 1.00 0.00 N ATOM 177 NH2 ARG A 9 36.431 38.018 35.703 1.00 0.00 N ATOM 0 H ARG A 9 29.285 38.883 33.064 1.00 0.00 H new ATOM 0 HA ARG A 9 30.558 37.629 30.758 1.00 0.00 H new ATOM 0 HB2 ARG A 9 30.847 36.097 33.281 1.00 0.00 H new ATOM 0 HB3 ARG A 9 31.846 36.109 31.841 1.00 0.00 H new ATOM 0 HG2 ARG A 9 32.878 38.257 32.586 1.00 0.00 H new ATOM 0 HG3 ARG A 9 31.892 38.222 34.034 1.00 0.00 H new ATOM 0 HD2 ARG A 9 32.952 36.039 34.690 1.00 0.00 H new ATOM 0 HD3 ARG A 9 33.954 36.102 33.254 1.00 0.00 H new ATOM 0 HE ARG A 9 34.189 38.527 34.853 1.00 0.00 H new ATOM 0 HH11 ARG A 9 35.325 35.183 34.911 1.00 0.00 H new ATOM 0 HH12 ARG A 9 36.858 35.651 35.654 1.00 0.00 H new ATOM 0 HH21 ARG A 9 36.194 39.010 35.708 1.00 0.00 H new ATOM 0 HH22 ARG A 9 37.325 37.705 36.082 1.00 0.00 H new ATOM 191 N ILE A 10 28.895 35.612 30.971 1.00 0.00 N ATOM 192 CA ILE A 10 27.890 34.537 31.008 1.00 0.00 C ATOM 193 C ILE A 10 28.493 33.312 31.703 1.00 0.00 C ATOM 194 O ILE A 10 29.659 32.990 31.462 1.00 0.00 O ATOM 195 CB ILE A 10 27.417 34.161 29.579 1.00 0.00 C ATOM 196 CG1 ILE A 10 26.984 35.368 28.720 1.00 0.00 C ATOM 197 CG2 ILE A 10 26.292 33.106 29.622 1.00 0.00 C ATOM 198 CD1 ILE A 10 25.777 36.165 29.226 1.00 0.00 C ATOM 0 H ILE A 10 29.614 35.448 30.267 1.00 0.00 H new ATOM 0 HA ILE A 10 27.020 34.888 31.563 1.00 0.00 H new ATOM 0 HB ILE A 10 28.294 33.737 29.091 1.00 0.00 H new ATOM 0 HG12 ILE A 10 27.831 36.048 28.635 1.00 0.00 H new ATOM 0 HG13 ILE A 10 26.760 35.010 27.715 1.00 0.00 H new ATOM 0 HG21 ILE A 10 25.982 32.863 28.606 1.00 0.00 H new ATOM 0 HG22 ILE A 10 26.657 32.205 30.115 1.00 0.00 H new ATOM 0 HG23 ILE A 10 25.441 33.504 30.176 1.00 0.00 H new ATOM 0 HD11 ILE A 10 25.570 36.986 28.540 1.00 0.00 H new ATOM 0 HD12 ILE A 10 24.907 35.511 29.283 1.00 0.00 H new ATOM 0 HD13 ILE A 10 25.995 36.566 30.216 1.00 0.00 H new ATOM 210 N TYR A 11 27.698 32.599 32.507 1.00 0.00 N ATOM 211 CA TYR A 11 27.975 31.224 32.931 1.00 0.00 C ATOM 212 C TYR A 11 26.910 30.266 32.365 1.00 0.00 C ATOM 213 O TYR A 11 25.704 30.501 32.477 1.00 0.00 O ATOM 214 CB TYR A 11 28.112 31.142 34.465 1.00 0.00 C ATOM 215 CG TYR A 11 27.703 29.811 35.073 1.00 0.00 C ATOM 216 CD1 TYR A 11 28.439 28.638 34.808 1.00 0.00 C ATOM 217 CD2 TYR A 11 26.532 29.738 35.853 1.00 0.00 C ATOM 218 CE1 TYR A 11 27.993 27.401 35.308 1.00 0.00 C ATOM 219 CE2 TYR A 11 26.084 28.500 36.353 1.00 0.00 C ATOM 220 CZ TYR A 11 26.812 27.324 36.074 1.00 0.00 C ATOM 221 OH TYR A 11 26.383 26.120 36.542 1.00 0.00 O ATOM 0 H TYR A 11 26.827 32.969 32.888 1.00 0.00 H new ATOM 0 HA TYR A 11 28.934 30.905 32.522 1.00 0.00 H new ATOM 0 HB2 TYR A 11 29.149 31.345 34.734 1.00 0.00 H new ATOM 0 HB3 TYR A 11 27.507 31.931 34.912 1.00 0.00 H new ATOM 0 HD1 TYR A 11 29.344 28.689 34.222 1.00 0.00 H new ATOM 0 HD2 TYR A 11 25.974 30.637 36.069 1.00 0.00 H new ATOM 0 HE1 TYR A 11 28.559 26.504 35.104 1.00 0.00 H new ATOM 0 HE2 TYR A 11 25.185 28.451 36.949 1.00 0.00 H new ATOM 0 HH TYR A 11 26.058 26.223 37.461 1.00 0.00 H new ATOM 231 N VAL A 12 27.375 29.162 31.781 1.00 0.00 N ATOM 232 CA VAL A 12 26.567 28.004 31.374 1.00 0.00 C ATOM 233 C VAL A 12 27.127 26.742 32.034 1.00 0.00 C ATOM 234 O VAL A 12 28.340 26.547 32.108 1.00 0.00 O ATOM 235 CB VAL A 12 26.448 27.905 29.835 1.00 0.00 C ATOM 236 CG1 VAL A 12 27.800 27.874 29.119 1.00 0.00 C ATOM 237 CG2 VAL A 12 25.677 26.663 29.372 1.00 0.00 C ATOM 0 H VAL A 12 28.365 29.041 31.568 1.00 0.00 H new ATOM 0 HA VAL A 12 25.542 28.127 31.724 1.00 0.00 H new ATOM 0 HB VAL A 12 25.906 28.812 29.568 1.00 0.00 H new ATOM 0 HG11 VAL A 12 27.640 27.804 28.043 1.00 0.00 H new ATOM 0 HG12 VAL A 12 28.353 28.786 29.345 1.00 0.00 H new ATOM 0 HG13 VAL A 12 28.372 27.010 29.458 1.00 0.00 H new ATOM 0 HG21 VAL A 12 25.628 26.650 28.283 1.00 0.00 H new ATOM 0 HG22 VAL A 12 26.188 25.766 29.723 1.00 0.00 H new ATOM 0 HG23 VAL A 12 24.667 26.688 29.781 1.00 0.00 H new ATOM 247 N GLY A 13 26.237 25.888 32.528 1.00 0.00 N ATOM 248 CA GLY A 13 26.537 24.635 33.217 1.00 0.00 C ATOM 249 C GLY A 13 25.604 23.510 32.787 1.00 0.00 C ATOM 250 O GLY A 13 24.663 23.726 32.020 1.00 0.00 O ATOM 0 H GLY A 13 25.234 26.059 32.455 1.00 0.00 H new ATOM 0 HA2 GLY A 13 27.569 24.348 33.014 1.00 0.00 H new ATOM 0 HA3 GLY A 13 26.453 24.784 34.294 1.00 0.00 H new ATOM 254 N ASN A 14 25.891 22.285 33.240 1.00 0.00 N ATOM 255 CA ASN A 14 25.231 21.061 32.760 1.00 0.00 C ATOM 256 C ASN A 14 25.197 21.010 31.211 1.00 0.00 C ATOM 257 O ASN A 14 24.195 20.616 30.618 1.00 0.00 O ATOM 258 CB ASN A 14 23.836 20.906 33.415 1.00 0.00 C ATOM 259 CG ASN A 14 23.831 20.880 34.935 1.00 0.00 C ATOM 260 OD1 ASN A 14 24.829 20.638 35.600 1.00 0.00 O ATOM 261 ND2 ASN A 14 22.686 21.104 35.542 1.00 0.00 N ATOM 0 H ASN A 14 26.595 22.111 33.957 1.00 0.00 H new ATOM 0 HA ASN A 14 25.817 20.196 33.069 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.202 21.727 33.080 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.382 19.984 33.051 1.00 0.00 H new ATOM 0 HD21 ASN A 14 22.634 21.075 36.560 1.00 0.00 H new ATOM 0 HD22 ASN A 14 21.850 21.306 34.994 1.00 0.00 H new ATOM 268 N LEU A 15 26.244 21.514 30.548 1.00 0.00 N ATOM 269 CA LEU A 15 26.219 21.821 29.113 1.00 0.00 C ATOM 270 C LEU A 15 26.131 20.555 28.228 1.00 0.00 C ATOM 271 O LEU A 15 26.600 19.488 28.642 1.00 0.00 O ATOM 272 CB LEU A 15 27.380 22.776 28.766 1.00 0.00 C ATOM 273 CG LEU A 15 28.815 22.315 29.088 1.00 0.00 C ATOM 274 CD1 LEU A 15 29.420 21.401 28.024 1.00 0.00 C ATOM 275 CD2 LEU A 15 29.702 23.553 29.201 1.00 0.00 C ATOM 0 H LEU A 15 27.137 21.722 30.994 1.00 0.00 H new ATOM 0 HA LEU A 15 25.295 22.350 28.879 1.00 0.00 H new ATOM 0 HB2 LEU A 15 27.329 22.990 27.698 1.00 0.00 H new ATOM 0 HB3 LEU A 15 27.206 23.717 29.288 1.00 0.00 H new ATOM 0 HG LEU A 15 28.764 21.745 30.015 1.00 0.00 H new ATOM 0 HD11 LEU A 15 30.430 21.118 28.319 1.00 0.00 H new ATOM 0 HD12 LEU A 15 28.807 20.505 27.922 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.455 21.927 27.070 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.724 23.249 29.429 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.688 24.098 28.257 1.00 0.00 H new ATOM 0 HD23 LEU A 15 29.329 24.197 29.998 1.00 0.00 H new ATOM 287 N PRO A 16 25.525 20.638 27.026 1.00 0.00 N ATOM 288 CA PRO A 16 25.352 19.488 26.135 1.00 0.00 C ATOM 289 C PRO A 16 26.704 18.930 25.663 1.00 0.00 C ATOM 290 O PRO A 16 27.530 19.657 25.107 1.00 0.00 O ATOM 291 CB PRO A 16 24.486 19.986 24.972 1.00 0.00 C ATOM 292 CG PRO A 16 24.734 21.495 24.951 1.00 0.00 C ATOM 293 CD PRO A 16 24.917 21.822 26.431 1.00 0.00 C ATOM 0 HA PRO A 16 24.869 18.655 26.645 1.00 0.00 H new ATOM 0 HB2 PRO A 16 24.775 19.520 24.030 1.00 0.00 H new ATOM 0 HB3 PRO A 16 23.432 19.756 25.131 1.00 0.00 H new ATOM 0 HG2 PRO A 16 25.617 21.753 24.367 1.00 0.00 H new ATOM 0 HG3 PRO A 16 23.895 22.038 24.516 1.00 0.00 H new ATOM 0 HD2 PRO A 16 25.554 22.697 26.563 1.00 0.00 H new ATOM 0 HD3 PRO A 16 23.961 22.050 26.902 1.00 0.00 H new ATOM 301 N SER A 17 26.921 17.626 25.886 1.00 0.00 N ATOM 302 CA SER A 17 28.168 16.894 25.604 1.00 0.00 C ATOM 303 C SER A 17 29.412 17.605 26.169 1.00 0.00 C ATOM 304 O SER A 17 29.641 17.571 27.381 1.00 0.00 O ATOM 305 CB SER A 17 28.280 16.529 24.112 1.00 0.00 C ATOM 306 OG SER A 17 27.172 15.738 23.708 1.00 0.00 O ATOM 0 H SER A 17 26.201 17.024 26.286 1.00 0.00 H new ATOM 0 HA SER A 17 28.123 15.947 26.143 1.00 0.00 H new ATOM 0 HB2 SER A 17 28.323 17.438 23.512 1.00 0.00 H new ATOM 0 HB3 SER A 17 29.207 15.984 23.934 1.00 0.00 H new ATOM 0 HG SER A 17 27.258 15.516 22.757 1.00 0.00 H new ATOM 312 N HIS A 18 30.206 18.263 25.318 1.00 0.00 N ATOM 313 CA HIS A 18 31.357 19.097 25.685 1.00 0.00 C ATOM 314 C HIS A 18 31.591 20.154 24.593 1.00 0.00 C ATOM 315 O HIS A 18 31.846 19.821 23.434 1.00 0.00 O ATOM 316 CB HIS A 18 32.603 18.223 25.927 1.00 0.00 C ATOM 317 CG HIS A 18 32.959 17.258 24.812 1.00 0.00 C ATOM 318 ND1 HIS A 18 32.305 16.051 24.537 1.00 0.00 N ATOM 319 CD2 HIS A 18 33.982 17.413 23.923 1.00 0.00 C ATOM 320 CE1 HIS A 18 32.943 15.515 23.480 1.00 0.00 C ATOM 321 NE2 HIS A 18 33.953 16.313 23.093 1.00 0.00 N ATOM 0 H HIS A 18 30.058 18.228 24.309 1.00 0.00 H new ATOM 0 HA HIS A 18 31.151 19.618 26.620 1.00 0.00 H new ATOM 0 HB2 HIS A 18 33.456 18.879 26.100 1.00 0.00 H new ATOM 0 HB3 HIS A 18 32.450 17.651 26.842 1.00 0.00 H new ATOM 0 HD2 HIS A 18 34.679 18.237 23.878 1.00 0.00 H new ATOM 0 HE1 HIS A 18 32.681 14.578 23.010 1.00 0.00 H new ATOM 0 HE2 HIS A 18 34.590 16.135 22.317 1.00 0.00 H new ATOM 329 N VAL A 19 31.485 21.436 24.953 1.00 0.00 N ATOM 330 CA VAL A 19 31.761 22.566 24.046 1.00 0.00 C ATOM 331 C VAL A 19 33.251 22.924 24.027 1.00 0.00 C ATOM 332 O VAL A 19 33.938 22.819 25.048 1.00 0.00 O ATOM 333 CB VAL A 19 30.916 23.815 24.382 1.00 0.00 C ATOM 334 CG1 VAL A 19 29.415 23.535 24.250 1.00 0.00 C ATOM 335 CG2 VAL A 19 31.207 24.406 25.768 1.00 0.00 C ATOM 0 H VAL A 19 31.203 21.727 25.889 1.00 0.00 H new ATOM 0 HA VAL A 19 31.472 22.231 23.050 1.00 0.00 H new ATOM 0 HB VAL A 19 31.215 24.560 23.645 1.00 0.00 H new ATOM 0 HG11 VAL A 19 28.854 24.437 24.494 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.190 23.233 23.227 1.00 0.00 H new ATOM 0 HG13 VAL A 19 29.132 22.735 24.935 1.00 0.00 H new ATOM 0 HG21 VAL A 19 30.576 25.279 25.931 1.00 0.00 H new ATOM 0 HG22 VAL A 19 30.997 23.659 26.533 1.00 0.00 H new ATOM 0 HG23 VAL A 19 32.255 24.700 25.825 1.00 0.00 H new ATOM 345 N SER A 20 33.738 23.405 22.883 1.00 0.00 N ATOM 346 CA SER A 20 35.001 24.155 22.791 1.00 0.00 C ATOM 347 C SER A 20 34.730 25.651 22.971 1.00 0.00 C ATOM 348 O SER A 20 33.780 26.182 22.397 1.00 0.00 O ATOM 349 CB SER A 20 35.685 23.910 21.441 1.00 0.00 C ATOM 350 OG SER A 20 36.071 22.552 21.318 1.00 0.00 O ATOM 0 H SER A 20 33.268 23.287 21.986 1.00 0.00 H new ATOM 0 HA SER A 20 35.666 23.808 23.582 1.00 0.00 H new ATOM 0 HB2 SER A 20 35.007 24.176 20.630 1.00 0.00 H new ATOM 0 HB3 SER A 20 36.561 24.553 21.349 1.00 0.00 H new ATOM 0 HG SER A 20 36.504 22.412 20.450 1.00 0.00 H new ATOM 356 N SER A 21 35.585 26.352 23.717 1.00 0.00 N ATOM 357 CA SER A 21 35.450 27.796 24.002 1.00 0.00 C ATOM 358 C SER A 21 35.350 28.658 22.731 1.00 0.00 C ATOM 359 O SER A 21 34.558 29.601 22.677 1.00 0.00 O ATOM 360 CB SER A 21 36.645 28.237 24.854 1.00 0.00 C ATOM 361 OG SER A 21 37.866 27.935 24.194 1.00 0.00 O ATOM 0 H SER A 21 36.407 25.933 24.151 1.00 0.00 H new ATOM 0 HA SER A 21 34.514 27.946 24.539 1.00 0.00 H new ATOM 0 HB2 SER A 21 36.585 29.308 25.048 1.00 0.00 H new ATOM 0 HB3 SER A 21 36.614 27.736 25.821 1.00 0.00 H new ATOM 0 HG SER A 21 38.619 28.224 24.750 1.00 0.00 H new ATOM 367 N ARG A 22 36.084 28.277 21.674 1.00 0.00 N ATOM 368 CA ARG A 22 36.075 28.920 20.349 1.00 0.00 C ATOM 369 C ARG A 22 34.734 28.771 19.613 1.00 0.00 C ATOM 370 O ARG A 22 34.327 29.678 18.886 1.00 0.00 O ATOM 371 CB ARG A 22 37.206 28.350 19.466 1.00 0.00 C ATOM 372 CG ARG A 22 38.636 28.497 20.031 1.00 0.00 C ATOM 373 CD ARG A 22 39.126 27.317 20.888 1.00 0.00 C ATOM 374 NE ARG A 22 39.191 26.057 20.117 1.00 0.00 N ATOM 375 CZ ARG A 22 39.330 24.834 20.599 1.00 0.00 C ATOM 376 NH1 ARG A 22 39.450 24.598 21.876 1.00 0.00 N ATOM 377 NH2 ARG A 22 39.340 23.810 19.797 1.00 0.00 N ATOM 0 H ARG A 22 36.724 27.484 21.719 1.00 0.00 H new ATOM 0 HA ARG A 22 36.233 29.984 20.527 1.00 0.00 H new ATOM 0 HB2 ARG A 22 37.010 27.292 19.295 1.00 0.00 H new ATOM 0 HB3 ARG A 22 37.167 28.843 18.494 1.00 0.00 H new ATOM 0 HG2 ARG A 22 39.326 28.632 19.198 1.00 0.00 H new ATOM 0 HG3 ARG A 22 38.680 29.405 20.632 1.00 0.00 H new ATOM 0 HD2 ARG A 22 40.113 27.547 21.290 1.00 0.00 H new ATOM 0 HD3 ARG A 22 38.458 27.186 21.739 1.00 0.00 H new ATOM 0 HE ARG A 22 39.121 26.141 19.103 1.00 0.00 H new ATOM 0 HH11 ARG A 22 39.438 25.371 22.541 1.00 0.00 H new ATOM 0 HH12 ARG A 22 39.555 23.640 22.210 1.00 0.00 H new ATOM 0 HH21 ARG A 22 39.240 23.949 18.791 1.00 0.00 H new ATOM 0 HH22 ARG A 22 39.448 22.868 20.174 1.00 0.00 H new ATOM 391 N ASP A 23 34.031 27.655 19.807 1.00 0.00 N ATOM 392 CA ASP A 23 32.741 27.390 19.151 1.00 0.00 C ATOM 393 C ASP A 23 31.616 28.246 19.745 1.00 0.00 C ATOM 394 O ASP A 23 30.811 28.808 18.999 1.00 0.00 O ATOM 395 CB ASP A 23 32.365 25.899 19.236 1.00 0.00 C ATOM 396 CG ASP A 23 33.311 24.928 18.503 1.00 0.00 C ATOM 397 OD1 ASP A 23 34.213 25.361 17.745 1.00 0.00 O ATOM 398 OD2 ASP A 23 33.125 23.700 18.669 1.00 0.00 O ATOM 0 H ASP A 23 34.338 26.904 20.425 1.00 0.00 H new ATOM 0 HA ASP A 23 32.860 27.661 18.102 1.00 0.00 H new ATOM 0 HB2 ASP A 23 32.324 25.613 20.287 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.361 25.773 18.832 1.00 0.00 H new ATOM 403 N VAL A 24 31.569 28.391 21.077 1.00 0.00 N ATOM 404 CA VAL A 24 30.554 29.231 21.745 1.00 0.00 C ATOM 405 C VAL A 24 30.845 30.725 21.560 1.00 0.00 C ATOM 406 O VAL A 24 29.913 31.517 21.416 1.00 0.00 O ATOM 407 CB VAL A 24 30.365 28.901 23.242 1.00 0.00 C ATOM 408 CG1 VAL A 24 28.882 29.051 23.603 1.00 0.00 C ATOM 409 CG2 VAL A 24 30.773 27.483 23.656 1.00 0.00 C ATOM 0 H VAL A 24 32.221 27.938 21.717 1.00 0.00 H new ATOM 0 HA VAL A 24 29.613 28.991 21.251 1.00 0.00 H new ATOM 0 HB VAL A 24 31.020 29.596 23.767 1.00 0.00 H new ATOM 0 HG11 VAL A 24 28.739 28.820 24.659 1.00 0.00 H new ATOM 0 HG12 VAL A 24 28.562 30.075 23.409 1.00 0.00 H new ATOM 0 HG13 VAL A 24 28.289 28.365 22.998 1.00 0.00 H new ATOM 0 HG21 VAL A 24 30.602 27.352 24.725 1.00 0.00 H new ATOM 0 HG22 VAL A 24 30.178 26.757 23.102 1.00 0.00 H new ATOM 0 HG23 VAL A 24 31.830 27.330 23.437 1.00 0.00 H new ATOM 419 N GLU A 25 32.121 31.123 21.465 1.00 0.00 N ATOM 420 CA GLU A 25 32.529 32.476 21.051 1.00 0.00 C ATOM 421 C GLU A 25 31.941 32.856 19.679 1.00 0.00 C ATOM 422 O GLU A 25 31.418 33.960 19.519 1.00 0.00 O ATOM 423 CB GLU A 25 34.068 32.565 21.078 1.00 0.00 C ATOM 424 CG GLU A 25 34.681 33.807 20.403 1.00 0.00 C ATOM 425 CD GLU A 25 35.127 33.553 18.945 1.00 0.00 C ATOM 426 OE1 GLU A 25 36.161 32.869 18.739 1.00 0.00 O ATOM 427 OE2 GLU A 25 34.484 34.088 18.008 1.00 0.00 O ATOM 0 H GLU A 25 32.908 30.510 21.675 1.00 0.00 H new ATOM 0 HA GLU A 25 32.126 33.205 21.754 1.00 0.00 H new ATOM 0 HB2 GLU A 25 34.396 32.541 22.117 1.00 0.00 H new ATOM 0 HB3 GLU A 25 34.473 31.676 20.595 1.00 0.00 H new ATOM 0 HG2 GLU A 25 33.951 34.617 20.417 1.00 0.00 H new ATOM 0 HG3 GLU A 25 35.540 34.142 20.985 1.00 0.00 H new ATOM 434 N ASN A 26 31.930 31.918 18.722 1.00 0.00 N ATOM 435 CA ASN A 26 31.354 32.121 17.390 1.00 0.00 C ATOM 436 C ASN A 26 29.829 32.390 17.428 1.00 0.00 C ATOM 437 O ASN A 26 29.296 32.997 16.497 1.00 0.00 O ATOM 438 CB ASN A 26 31.713 30.904 16.510 1.00 0.00 C ATOM 439 CG ASN A 26 31.836 31.211 15.019 1.00 0.00 C ATOM 440 OD1 ASN A 26 32.737 30.732 14.344 1.00 0.00 O ATOM 441 ND2 ASN A 26 30.973 32.018 14.444 1.00 0.00 N ATOM 0 H ASN A 26 32.326 30.987 18.855 1.00 0.00 H new ATOM 0 HA ASN A 26 31.784 33.023 16.954 1.00 0.00 H new ATOM 0 HB2 ASN A 26 32.656 30.485 16.860 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.952 30.136 16.648 1.00 0.00 H new ATOM 0 HD21 ASN A 26 31.061 32.235 13.451 1.00 0.00 H new ATOM 0 HD22 ASN A 26 30.215 32.427 14.990 1.00 0.00 H new ATOM 448 N GLU A 27 29.124 31.970 18.485 1.00 0.00 N ATOM 449 CA GLU A 27 27.702 32.270 18.706 1.00 0.00 C ATOM 450 C GLU A 27 27.494 33.576 19.496 1.00 0.00 C ATOM 451 O GLU A 27 26.734 34.448 19.068 1.00 0.00 O ATOM 452 CB GLU A 27 27.036 31.063 19.391 1.00 0.00 C ATOM 453 CG GLU A 27 25.538 31.282 19.654 1.00 0.00 C ATOM 454 CD GLU A 27 24.788 29.978 20.007 1.00 0.00 C ATOM 455 OE1 GLU A 27 25.386 29.047 20.601 1.00 0.00 O ATOM 456 OE2 GLU A 27 23.573 29.885 19.708 1.00 0.00 O ATOM 0 H GLU A 27 29.533 31.401 19.226 1.00 0.00 H new ATOM 0 HA GLU A 27 27.224 32.438 17.741 1.00 0.00 H new ATOM 0 HB2 GLU A 27 27.166 30.179 18.767 1.00 0.00 H new ATOM 0 HB3 GLU A 27 27.541 30.863 20.336 1.00 0.00 H new ATOM 0 HG2 GLU A 27 25.419 31.995 20.470 1.00 0.00 H new ATOM 0 HG3 GLU A 27 25.082 31.729 18.771 1.00 0.00 H new ATOM 463 N PHE A 28 28.185 33.745 20.630 1.00 0.00 N ATOM 464 CA PHE A 28 28.015 34.899 21.525 1.00 0.00 C ATOM 465 C PHE A 28 28.487 36.238 20.926 1.00 0.00 C ATOM 466 O PHE A 28 27.915 37.277 21.262 1.00 0.00 O ATOM 467 CB PHE A 28 28.718 34.621 22.865 1.00 0.00 C ATOM 468 CG PHE A 28 27.897 33.810 23.856 1.00 0.00 C ATOM 469 CD1 PHE A 28 26.656 34.298 24.319 1.00 0.00 C ATOM 470 CD2 PHE A 28 28.387 32.592 24.357 1.00 0.00 C ATOM 471 CE1 PHE A 28 25.911 33.563 25.260 1.00 0.00 C ATOM 472 CE2 PHE A 28 27.640 31.859 25.298 1.00 0.00 C ATOM 473 CZ PHE A 28 26.401 32.342 25.748 1.00 0.00 C ATOM 0 H PHE A 28 28.885 33.079 20.956 1.00 0.00 H new ATOM 0 HA PHE A 28 26.942 35.017 21.679 1.00 0.00 H new ATOM 0 HB2 PHE A 28 29.651 34.092 22.668 1.00 0.00 H new ATOM 0 HB3 PHE A 28 28.982 35.573 23.326 1.00 0.00 H new ATOM 0 HD1 PHE A 28 26.277 35.239 23.950 1.00 0.00 H new ATOM 0 HD2 PHE A 28 29.341 32.217 24.018 1.00 0.00 H new ATOM 0 HE1 PHE A 28 24.960 33.940 25.607 1.00 0.00 H new ATOM 0 HE2 PHE A 28 28.021 30.922 25.675 1.00 0.00 H new ATOM 0 HZ PHE A 28 25.827 31.776 26.467 1.00 0.00 H new ATOM 483 N ARG A 29 29.464 36.239 20.005 1.00 0.00 N ATOM 484 CA ARG A 29 30.054 37.458 19.405 1.00 0.00 C ATOM 485 C ARG A 29 29.050 38.441 18.780 1.00 0.00 C ATOM 486 O ARG A 29 29.342 39.633 18.697 1.00 0.00 O ATOM 487 CB ARG A 29 31.144 37.067 18.388 1.00 0.00 C ATOM 488 CG ARG A 29 30.604 36.287 17.173 1.00 0.00 C ATOM 489 CD ARG A 29 31.734 35.714 16.312 1.00 0.00 C ATOM 490 NE ARG A 29 32.475 36.759 15.583 1.00 0.00 N ATOM 491 CZ ARG A 29 33.783 36.925 15.510 1.00 0.00 C ATOM 492 NH1 ARG A 29 34.638 36.180 16.152 1.00 0.00 N ATOM 493 NH2 ARG A 29 34.272 37.874 14.763 1.00 0.00 N ATOM 0 H ARG A 29 29.878 35.378 19.646 1.00 0.00 H new ATOM 0 HA ARG A 29 30.488 38.010 20.239 1.00 0.00 H new ATOM 0 HB2 ARG A 29 31.642 37.971 18.037 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.898 36.462 18.891 1.00 0.00 H new ATOM 0 HG2 ARG A 29 29.964 35.475 17.518 1.00 0.00 H new ATOM 0 HG3 ARG A 29 29.983 36.946 16.566 1.00 0.00 H new ATOM 0 HD2 ARG A 29 32.425 35.160 16.947 1.00 0.00 H new ATOM 0 HD3 ARG A 29 31.318 35.003 15.598 1.00 0.00 H new ATOM 0 HE ARG A 29 31.908 37.436 15.073 1.00 0.00 H new ATOM 0 HH11 ARG A 29 34.307 35.422 16.749 1.00 0.00 H new ATOM 0 HH12 ARG A 29 35.638 36.355 16.058 1.00 0.00 H new ATOM 0 HH21 ARG A 29 33.645 38.484 14.238 1.00 0.00 H new ATOM 0 HH22 ARG A 29 35.282 38.007 14.703 1.00 0.00 H new ATOM 507 N LYS A 30 27.858 37.981 18.361 1.00 0.00 N ATOM 508 CA LYS A 30 26.814 38.847 17.777 1.00 0.00 C ATOM 509 C LYS A 30 26.186 39.816 18.797 1.00 0.00 C ATOM 510 O LYS A 30 25.752 40.900 18.417 1.00 0.00 O ATOM 511 CB LYS A 30 25.792 37.985 16.998 1.00 0.00 C ATOM 512 CG LYS A 30 24.565 37.493 17.786 1.00 0.00 C ATOM 513 CD LYS A 30 23.361 38.438 17.621 1.00 0.00 C ATOM 514 CE LYS A 30 22.229 38.075 18.580 1.00 0.00 C ATOM 515 NZ LYS A 30 21.061 38.986 18.428 1.00 0.00 N ATOM 0 H LYS A 30 27.590 36.999 18.417 1.00 0.00 H new ATOM 0 HA LYS A 30 27.284 39.516 17.056 1.00 0.00 H new ATOM 0 HB2 LYS A 30 25.439 38.563 16.144 1.00 0.00 H new ATOM 0 HB3 LYS A 30 26.313 37.114 16.600 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.292 36.494 17.446 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.821 37.412 18.842 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.676 39.466 17.801 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.998 38.391 16.594 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.914 37.047 18.398 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.594 38.120 19.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.314 38.707 19.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.355 39.964 18.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.697 38.924 17.456 1.00 0.00 H new ATOM 529 N TYR A 31 26.175 39.453 20.086 1.00 0.00 N ATOM 530 CA TYR A 31 25.676 40.288 21.195 1.00 0.00 C ATOM 531 C TYR A 31 26.709 41.322 21.707 1.00 0.00 C ATOM 532 O TYR A 31 26.399 42.111 22.600 1.00 0.00 O ATOM 533 CB TYR A 31 25.213 39.385 22.351 1.00 0.00 C ATOM 534 CG TYR A 31 24.048 38.462 22.038 1.00 0.00 C ATOM 535 CD1 TYR A 31 22.728 38.915 22.228 1.00 0.00 C ATOM 536 CD2 TYR A 31 24.283 37.142 21.607 1.00 0.00 C ATOM 537 CE1 TYR A 31 21.639 38.049 22.000 1.00 0.00 C ATOM 538 CE2 TYR A 31 23.197 36.273 21.370 1.00 0.00 C ATOM 539 CZ TYR A 31 21.875 36.721 21.576 1.00 0.00 C ATOM 540 OH TYR A 31 20.833 35.883 21.335 1.00 0.00 O ATOM 0 H TYR A 31 26.522 38.546 20.399 1.00 0.00 H new ATOM 0 HA TYR A 31 24.839 40.865 20.802 1.00 0.00 H new ATOM 0 HB2 TYR A 31 26.058 38.777 22.674 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.935 40.018 23.194 1.00 0.00 H new ATOM 0 HD1 TYR A 31 22.549 39.930 22.550 1.00 0.00 H new ATOM 0 HD2 TYR A 31 25.295 36.795 21.458 1.00 0.00 H new ATOM 0 HE1 TYR A 31 20.628 38.399 22.149 1.00 0.00 H new ATOM 0 HE2 TYR A 31 23.378 35.264 21.031 1.00 0.00 H new ATOM 0 HH TYR A 31 21.175 35.010 21.051 1.00 0.00 H new ATOM 550 N GLY A 32 27.934 41.317 21.168 1.00 0.00 N ATOM 551 CA GLY A 32 29.042 42.194 21.566 1.00 0.00 C ATOM 552 C GLY A 32 30.392 41.471 21.557 1.00 0.00 C ATOM 553 O GLY A 32 30.451 40.239 21.545 1.00 0.00 O ATOM 0 H GLY A 32 28.190 40.679 20.415 1.00 0.00 H new ATOM 0 HA2 GLY A 32 29.086 43.048 20.890 1.00 0.00 H new ATOM 0 HA3 GLY A 32 28.850 42.587 22.564 1.00 0.00 H new ATOM 557 N ASN A 33 31.494 42.226 21.564 1.00 0.00 N ATOM 558 CA ASN A 33 32.840 41.647 21.593 1.00 0.00 C ATOM 559 C ASN A 33 33.111 40.908 22.917 1.00 0.00 C ATOM 560 O ASN A 33 32.773 41.390 24.003 1.00 0.00 O ATOM 561 CB ASN A 33 33.908 42.716 21.302 1.00 0.00 C ATOM 562 CG ASN A 33 33.677 43.442 19.988 1.00 0.00 C ATOM 563 OD1 ASN A 33 32.995 44.455 19.921 1.00 0.00 O ATOM 564 ND2 ASN A 33 34.226 42.951 18.900 1.00 0.00 N ATOM 0 H ASN A 33 31.480 43.246 21.550 1.00 0.00 H new ATOM 0 HA ASN A 33 32.899 40.903 20.799 1.00 0.00 H new ATOM 0 HB2 ASN A 33 33.919 43.442 22.115 1.00 0.00 H new ATOM 0 HB3 ASN A 33 34.891 42.244 21.283 1.00 0.00 H new ATOM 0 HD21 ASN A 33 34.083 43.415 18.003 1.00 0.00 H new ATOM 0 HD22 ASN A 33 34.795 42.106 18.953 1.00 0.00 H new ATOM 571 N ILE A 34 33.755 39.744 22.806 1.00 0.00 N ATOM 572 CA ILE A 34 34.199 38.891 23.916 1.00 0.00 C ATOM 573 C ILE A 34 35.696 39.091 24.172 1.00 0.00 C ATOM 574 O ILE A 34 36.500 39.100 23.236 1.00 0.00 O ATOM 575 CB ILE A 34 33.742 37.418 23.719 1.00 0.00 C ATOM 576 CG1 ILE A 34 34.492 36.377 24.588 1.00 0.00 C ATOM 577 CG2 ILE A 34 33.671 36.952 22.251 1.00 0.00 C ATOM 578 CD1 ILE A 34 35.807 35.803 24.032 1.00 0.00 C ATOM 0 H ILE A 34 33.994 39.350 21.896 1.00 0.00 H new ATOM 0 HA ILE A 34 33.707 39.196 24.840 1.00 0.00 H new ATOM 0 HB ILE A 34 32.718 37.455 24.089 1.00 0.00 H new ATOM 0 HG12 ILE A 34 34.707 36.836 25.553 1.00 0.00 H new ATOM 0 HG13 ILE A 34 33.814 35.544 24.775 1.00 0.00 H new ATOM 0 HG21 ILE A 34 33.343 35.913 22.215 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.963 37.575 21.705 1.00 0.00 H new ATOM 0 HG23 ILE A 34 34.657 37.038 21.794 1.00 0.00 H new ATOM 0 HD11 ILE A 34 36.222 35.089 24.743 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.613 35.301 23.084 1.00 0.00 H new ATOM 0 HD13 ILE A 34 36.519 36.613 23.874 1.00 0.00 H new ATOM 590 N LEU A 35 36.066 39.280 25.446 1.00 0.00 N ATOM 591 CA LEU A 35 37.444 39.558 25.875 1.00 0.00 C ATOM 592 C LEU A 35 38.211 38.281 26.270 1.00 0.00 C ATOM 593 O LEU A 35 39.416 38.180 26.023 1.00 0.00 O ATOM 594 CB LEU A 35 37.441 40.564 27.045 1.00 0.00 C ATOM 595 CG LEU A 35 36.881 41.982 26.796 1.00 0.00 C ATOM 596 CD1 LEU A 35 37.425 42.623 25.518 1.00 0.00 C ATOM 597 CD2 LEU A 35 35.353 42.058 26.762 1.00 0.00 C ATOM 0 H LEU A 35 35.404 39.243 26.221 1.00 0.00 H new ATOM 0 HA LEU A 35 37.966 39.990 25.021 1.00 0.00 H new ATOM 0 HB2 LEU A 35 36.871 40.121 27.862 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.468 40.670 27.394 1.00 0.00 H new ATOM 0 HG LEU A 35 37.230 42.542 27.664 1.00 0.00 H new ATOM 0 HD11 LEU A 35 36.995 43.617 25.398 1.00 0.00 H new ATOM 0 HD12 LEU A 35 38.510 42.703 25.584 1.00 0.00 H new ATOM 0 HD13 LEU A 35 37.158 42.006 24.660 1.00 0.00 H new ATOM 0 HD21 LEU A 35 35.044 43.088 26.583 1.00 0.00 H new ATOM 0 HD22 LEU A 35 34.975 41.421 25.963 1.00 0.00 H new ATOM 0 HD23 LEU A 35 34.951 41.720 27.717 1.00 0.00 H new ATOM 609 N LYS A 36 37.515 37.305 26.865 1.00 0.00 N ATOM 610 CA LYS A 36 38.032 35.988 27.280 1.00 0.00 C ATOM 611 C LYS A 36 36.892 34.966 27.371 1.00 0.00 C ATOM 612 O LYS A 36 35.757 35.326 27.671 1.00 0.00 O ATOM 613 CB LYS A 36 38.753 36.099 28.648 1.00 0.00 C ATOM 614 CG LYS A 36 40.237 35.661 28.618 1.00 0.00 C ATOM 615 CD LYS A 36 40.614 34.689 29.749 1.00 0.00 C ATOM 616 CE LYS A 36 39.997 33.291 29.574 1.00 0.00 C ATOM 617 NZ LYS A 36 40.667 32.504 28.496 1.00 0.00 N ATOM 0 H LYS A 36 36.525 37.414 27.083 1.00 0.00 H new ATOM 0 HA LYS A 36 38.746 35.649 26.530 1.00 0.00 H new ATOM 0 HB2 LYS A 36 38.697 37.131 28.993 1.00 0.00 H new ATOM 0 HB3 LYS A 36 38.220 35.489 29.378 1.00 0.00 H new ATOM 0 HG2 LYS A 36 40.449 35.189 27.659 1.00 0.00 H new ATOM 0 HG3 LYS A 36 40.870 36.546 28.684 1.00 0.00 H new ATOM 0 HD2 LYS A 36 41.699 34.597 29.795 1.00 0.00 H new ATOM 0 HD3 LYS A 36 40.289 35.106 30.702 1.00 0.00 H new ATOM 0 HE2 LYS A 36 40.067 32.746 30.515 1.00 0.00 H new ATOM 0 HE3 LYS A 36 38.937 33.391 29.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 39.952 31.978 27.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 41.177 33.150 27.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 41.340 31.835 28.922 1.00 0.00 H new ATOM 631 N CYS A 37 37.209 33.694 27.164 1.00 0.00 N ATOM 632 CA CYS A 37 36.309 32.570 27.430 1.00 0.00 C ATOM 633 C CYS A 37 37.099 31.320 27.858 1.00 0.00 C ATOM 634 O CYS A 37 38.292 31.200 27.569 1.00 0.00 O ATOM 635 CB CYS A 37 35.396 32.326 26.214 1.00 0.00 C ATOM 636 SG CYS A 37 36.357 32.025 24.698 1.00 0.00 S ATOM 0 H CYS A 37 38.117 33.405 26.799 1.00 0.00 H new ATOM 0 HA CYS A 37 35.660 32.816 28.271 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.750 31.471 26.411 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.747 33.189 26.068 1.00 0.00 H new ATOM 0 HG CYS A 37 35.746 31.142 23.965 1.00 0.00 H new ATOM 642 N ASP A 38 36.459 30.410 28.598 1.00 0.00 N ATOM 643 CA ASP A 38 37.078 29.174 29.102 1.00 0.00 C ATOM 644 C ASP A 38 36.037 28.096 29.471 1.00 0.00 C ATOM 645 O ASP A 38 34.845 28.392 29.590 1.00 0.00 O ATOM 646 CB ASP A 38 37.966 29.501 30.323 1.00 0.00 C ATOM 647 CG ASP A 38 39.085 28.475 30.569 1.00 0.00 C ATOM 648 OD1 ASP A 38 39.370 27.632 29.689 1.00 0.00 O ATOM 649 OD2 ASP A 38 39.718 28.547 31.643 1.00 0.00 O ATOM 0 H ASP A 38 35.481 30.510 28.870 1.00 0.00 H new ATOM 0 HA ASP A 38 37.687 28.761 28.298 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.413 30.485 30.182 1.00 0.00 H new ATOM 0 HB3 ASP A 38 37.338 29.560 31.212 1.00 0.00 H new ATOM 654 N VAL A 39 36.489 26.853 29.682 1.00 0.00 N ATOM 655 CA VAL A 39 35.652 25.688 30.043 1.00 0.00 C ATOM 656 C VAL A 39 36.211 24.922 31.254 1.00 0.00 C ATOM 657 O VAL A 39 37.424 24.891 31.468 1.00 0.00 O ATOM 658 CB VAL A 39 35.414 24.745 28.841 1.00 0.00 C ATOM 659 CG1 VAL A 39 34.791 25.482 27.647 1.00 0.00 C ATOM 660 CG2 VAL A 39 36.686 24.039 28.350 1.00 0.00 C ATOM 0 H VAL A 39 37.478 26.617 29.605 1.00 0.00 H new ATOM 0 HA VAL A 39 34.682 26.089 30.336 1.00 0.00 H new ATOM 0 HB VAL A 39 34.725 23.992 29.224 1.00 0.00 H new ATOM 0 HG11 VAL A 39 34.641 24.782 26.825 1.00 0.00 H new ATOM 0 HG12 VAL A 39 33.831 25.906 27.942 1.00 0.00 H new ATOM 0 HG13 VAL A 39 35.458 26.282 27.325 1.00 0.00 H new ATOM 0 HG21 VAL A 39 36.442 23.395 27.506 1.00 0.00 H new ATOM 0 HG22 VAL A 39 37.418 24.784 28.038 1.00 0.00 H new ATOM 0 HG23 VAL A 39 37.103 23.437 29.157 1.00 0.00 H new ATOM 670 N LYS A 40 35.325 24.308 32.051 1.00 0.00 N ATOM 671 CA LYS A 40 35.616 23.599 33.320 1.00 0.00 C ATOM 672 C LYS A 40 34.725 22.355 33.484 1.00 0.00 C ATOM 673 O LYS A 40 33.774 22.165 32.728 1.00 0.00 O ATOM 674 CB LYS A 40 35.422 24.548 34.530 1.00 0.00 C ATOM 675 CG LYS A 40 36.168 25.892 34.472 1.00 0.00 C ATOM 676 CD LYS A 40 37.695 25.764 34.567 1.00 0.00 C ATOM 677 CE LYS A 40 38.300 27.014 33.934 1.00 0.00 C ATOM 678 NZ LYS A 40 39.778 26.965 33.873 1.00 0.00 N ATOM 0 H LYS A 40 34.331 24.288 31.822 1.00 0.00 H new ATOM 0 HA LYS A 40 36.656 23.273 33.284 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.357 24.753 34.636 1.00 0.00 H new ATOM 0 HB3 LYS A 40 35.736 24.021 35.431 1.00 0.00 H new ATOM 0 HG2 LYS A 40 35.913 26.397 33.540 1.00 0.00 H new ATOM 0 HG3 LYS A 40 35.816 26.527 35.285 1.00 0.00 H new ATOM 0 HD2 LYS A 40 38.008 25.671 35.607 1.00 0.00 H new ATOM 0 HD3 LYS A 40 38.038 24.868 34.050 1.00 0.00 H new ATOM 0 HE2 LYS A 40 37.903 27.135 32.926 1.00 0.00 H new ATOM 0 HE3 LYS A 40 37.993 27.890 34.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 40.101 27.359 32.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 40.176 27.523 34.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 40.096 25.978 33.955 1.00 0.00 H new ATOM 692 N LYS A 41 35.012 21.514 34.487 1.00 0.00 N ATOM 693 CA LYS A 41 34.202 20.338 34.862 1.00 0.00 C ATOM 694 C LYS A 41 34.276 20.005 36.355 1.00 0.00 C ATOM 695 O LYS A 41 35.248 20.360 37.024 1.00 0.00 O ATOM 696 CB LYS A 41 34.545 19.119 33.972 1.00 0.00 C ATOM 697 CG LYS A 41 35.828 18.334 34.317 1.00 0.00 C ATOM 698 CD LYS A 41 37.163 19.086 34.187 1.00 0.00 C ATOM 699 CE LYS A 41 37.424 19.569 32.752 1.00 0.00 C ATOM 700 NZ LYS A 41 38.783 20.158 32.613 1.00 0.00 N ATOM 0 H LYS A 41 35.835 21.633 35.078 1.00 0.00 H new ATOM 0 HA LYS A 41 33.161 20.603 34.677 1.00 0.00 H new ATOM 0 HB2 LYS A 41 33.704 18.426 34.009 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.627 19.465 32.942 1.00 0.00 H new ATOM 0 HG2 LYS A 41 35.740 17.975 35.342 1.00 0.00 H new ATOM 0 HG3 LYS A 41 35.870 17.455 33.674 1.00 0.00 H new ATOM 0 HD2 LYS A 41 37.162 19.942 34.861 1.00 0.00 H new ATOM 0 HD3 LYS A 41 37.977 18.433 34.502 1.00 0.00 H new ATOM 0 HE2 LYS A 41 37.316 18.733 32.061 1.00 0.00 H new ATOM 0 HE3 LYS A 41 36.675 20.311 32.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 38.926 20.474 31.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 38.877 20.971 33.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 39.498 19.442 32.854 1.00 0.00 H new ATOM 714 N THR A 42 33.265 19.299 36.863 1.00 0.00 N ATOM 715 CA THR A 42 33.213 18.747 38.232 1.00 0.00 C ATOM 716 C THR A 42 33.445 17.229 38.238 1.00 0.00 C ATOM 717 O THR A 42 33.133 16.535 37.266 1.00 0.00 O ATOM 718 CB THR A 42 31.896 19.125 38.944 1.00 0.00 C ATOM 719 OG1 THR A 42 31.792 18.456 40.184 1.00 0.00 O ATOM 720 CG2 THR A 42 30.636 18.758 38.162 1.00 0.00 C ATOM 0 H THR A 42 32.428 19.084 36.321 1.00 0.00 H new ATOM 0 HA THR A 42 34.028 19.199 38.797 1.00 0.00 H new ATOM 0 HB THR A 42 31.947 20.208 39.052 1.00 0.00 H new ATOM 0 HG1 THR A 42 30.953 18.708 40.622 1.00 0.00 H new ATOM 0 HG21 THR A 42 29.755 19.057 38.730 1.00 0.00 H new ATOM 0 HG22 THR A 42 30.640 19.274 37.202 1.00 0.00 H new ATOM 0 HG23 THR A 42 30.612 17.681 37.995 1.00 0.00 H new ATOM 728 N VAL A 43 33.934 16.691 39.360 1.00 0.00 N ATOM 729 CA VAL A 43 34.035 15.240 39.622 1.00 0.00 C ATOM 730 C VAL A 43 32.669 14.531 39.638 1.00 0.00 C ATOM 731 O VAL A 43 32.609 13.312 39.474 1.00 0.00 O ATOM 732 CB VAL A 43 34.792 14.959 40.938 1.00 0.00 C ATOM 733 CG1 VAL A 43 36.230 15.490 40.874 1.00 0.00 C ATOM 734 CG2 VAL A 43 34.100 15.542 42.179 1.00 0.00 C ATOM 0 H VAL A 43 34.280 17.260 40.133 1.00 0.00 H new ATOM 0 HA VAL A 43 34.602 14.827 38.788 1.00 0.00 H new ATOM 0 HB VAL A 43 34.796 13.874 41.041 1.00 0.00 H new ATOM 0 HG11 VAL A 43 36.738 15.278 41.815 1.00 0.00 H new ATOM 0 HG12 VAL A 43 36.762 15.003 40.056 1.00 0.00 H new ATOM 0 HG13 VAL A 43 36.213 16.567 40.706 1.00 0.00 H new ATOM 0 HG21 VAL A 43 34.687 15.307 43.067 1.00 0.00 H new ATOM 0 HG22 VAL A 43 34.017 16.624 42.075 1.00 0.00 H new ATOM 0 HG23 VAL A 43 33.104 15.110 42.277 1.00 0.00 H new ATOM 744 N SER A 44 31.566 15.279 39.772 1.00 0.00 N ATOM 745 CA SER A 44 30.189 14.781 39.592 1.00 0.00 C ATOM 746 C SER A 44 29.854 14.421 38.124 1.00 0.00 C ATOM 747 O SER A 44 28.875 13.720 37.852 1.00 0.00 O ATOM 748 CB SER A 44 29.215 15.829 40.155 1.00 0.00 C ATOM 749 OG SER A 44 27.884 15.341 40.210 1.00 0.00 O ATOM 0 H SER A 44 31.603 16.269 40.014 1.00 0.00 H new ATOM 0 HA SER A 44 30.090 13.844 40.140 1.00 0.00 H new ATOM 0 HB2 SER A 44 29.536 16.122 41.155 1.00 0.00 H new ATOM 0 HB3 SER A 44 29.248 16.725 39.535 1.00 0.00 H new ATOM 0 HG SER A 44 27.793 14.572 39.610 1.00 0.00 H new ATOM 755 N GLY A 45 30.685 14.853 37.164 1.00 0.00 N ATOM 756 CA GLY A 45 30.600 14.526 35.733 1.00 0.00 C ATOM 757 C GLY A 45 29.971 15.611 34.846 1.00 0.00 C ATOM 758 O GLY A 45 30.073 15.528 33.619 1.00 0.00 O ATOM 0 H GLY A 45 31.471 15.468 37.374 1.00 0.00 H new ATOM 0 HA2 GLY A 45 31.604 14.317 35.365 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.022 13.609 35.621 1.00 0.00 H new ATOM 762 N ALA A 46 29.352 16.641 35.433 1.00 0.00 N ATOM 763 CA ALA A 46 28.866 17.821 34.712 1.00 0.00 C ATOM 764 C ALA A 46 30.015 18.745 34.244 1.00 0.00 C ATOM 765 O ALA A 46 31.114 18.740 34.809 1.00 0.00 O ATOM 766 CB ALA A 46 27.849 18.562 35.591 1.00 0.00 C ATOM 0 H ALA A 46 29.172 16.678 36.436 1.00 0.00 H new ATOM 0 HA ALA A 46 28.372 17.491 33.798 1.00 0.00 H new ATOM 0 HB1 ALA A 46 27.483 19.441 35.061 1.00 0.00 H new ATOM 0 HB2 ALA A 46 27.013 17.900 35.817 1.00 0.00 H new ATOM 0 HB3 ALA A 46 28.328 18.871 36.520 1.00 0.00 H new ATOM 772 N ALA A 47 29.740 19.562 33.225 1.00 0.00 N ATOM 773 CA ALA A 47 30.681 20.510 32.624 1.00 0.00 C ATOM 774 C ALA A 47 30.120 21.944 32.589 1.00 0.00 C ATOM 775 O ALA A 47 28.901 22.153 32.622 1.00 0.00 O ATOM 776 CB ALA A 47 31.080 19.992 31.237 1.00 0.00 C ATOM 0 H ALA A 47 28.823 19.582 32.779 1.00 0.00 H new ATOM 0 HA ALA A 47 31.576 20.575 33.243 1.00 0.00 H new ATOM 0 HB1 ALA A 47 31.781 20.688 30.776 1.00 0.00 H new ATOM 0 HB2 ALA A 47 31.551 19.014 31.336 1.00 0.00 H new ATOM 0 HB3 ALA A 47 30.191 19.905 30.612 1.00 0.00 H new ATOM 782 N PHE A 48 31.024 22.922 32.505 1.00 0.00 N ATOM 783 CA PHE A 48 30.750 24.357 32.620 1.00 0.00 C ATOM 784 C PHE A 48 31.539 25.168 31.578 1.00 0.00 C ATOM 785 O PHE A 48 32.629 24.766 31.168 1.00 0.00 O ATOM 786 CB PHE A 48 31.105 24.850 34.035 1.00 0.00 C ATOM 787 CG PHE A 48 30.738 23.934 35.192 1.00 0.00 C ATOM 788 CD1 PHE A 48 29.388 23.692 35.507 1.00 0.00 C ATOM 789 CD2 PHE A 48 31.748 23.322 35.962 1.00 0.00 C ATOM 790 CE1 PHE A 48 29.050 22.835 36.569 1.00 0.00 C ATOM 791 CE2 PHE A 48 31.410 22.481 37.032 1.00 0.00 C ATOM 792 CZ PHE A 48 30.060 22.234 37.336 1.00 0.00 C ATOM 0 H PHE A 48 32.013 22.727 32.348 1.00 0.00 H new ATOM 0 HA PHE A 48 29.687 24.508 32.434 1.00 0.00 H new ATOM 0 HB2 PHE A 48 32.179 25.031 34.072 1.00 0.00 H new ATOM 0 HB3 PHE A 48 30.614 25.810 34.193 1.00 0.00 H new ATOM 0 HD1 PHE A 48 28.608 24.167 34.930 1.00 0.00 H new ATOM 0 HD2 PHE A 48 32.787 23.502 35.727 1.00 0.00 H new ATOM 0 HE1 PHE A 48 28.012 22.639 36.795 1.00 0.00 H new ATOM 0 HE2 PHE A 48 32.188 22.022 37.624 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.801 21.583 38.158 1.00 0.00 H new ATOM 802 N ALA A 49 31.027 26.337 31.190 1.00 0.00 N ATOM 803 CA ALA A 49 31.732 27.308 30.353 1.00 0.00 C ATOM 804 C ALA A 49 31.404 28.758 30.754 1.00 0.00 C ATOM 805 O ALA A 49 30.321 29.056 31.267 1.00 0.00 O ATOM 806 CB ALA A 49 31.451 27.038 28.868 1.00 0.00 C ATOM 0 H ALA A 49 30.090 26.641 31.455 1.00 0.00 H new ATOM 0 HA ALA A 49 32.802 27.183 30.517 1.00 0.00 H new ATOM 0 HB1 ALA A 49 31.983 27.769 28.258 1.00 0.00 H new ATOM 0 HB2 ALA A 49 31.790 26.035 28.610 1.00 0.00 H new ATOM 0 HB3 ALA A 49 30.380 27.119 28.680 1.00 0.00 H new ATOM 812 N PHE A 50 32.365 29.649 30.517 1.00 0.00 N ATOM 813 CA PHE A 50 32.371 31.035 30.987 1.00 0.00 C ATOM 814 C PHE A 50 32.825 31.965 29.856 1.00 0.00 C ATOM 815 O PHE A 50 33.830 31.678 29.204 1.00 0.00 O ATOM 816 CB PHE A 50 33.279 31.154 32.222 1.00 0.00 C ATOM 817 CG PHE A 50 32.934 30.183 33.335 1.00 0.00 C ATOM 818 CD1 PHE A 50 33.490 28.890 33.329 1.00 0.00 C ATOM 819 CD2 PHE A 50 32.018 30.548 34.341 1.00 0.00 C ATOM 820 CE1 PHE A 50 33.108 27.954 34.302 1.00 0.00 C ATOM 821 CE2 PHE A 50 31.647 29.610 35.325 1.00 0.00 C ATOM 822 CZ PHE A 50 32.183 28.310 35.294 1.00 0.00 C ATOM 0 H PHE A 50 33.194 29.417 29.971 1.00 0.00 H new ATOM 0 HA PHE A 50 31.364 31.335 31.279 1.00 0.00 H new ATOM 0 HB2 PHE A 50 34.313 30.990 31.918 1.00 0.00 H new ATOM 0 HB3 PHE A 50 33.218 32.171 32.609 1.00 0.00 H new ATOM 0 HD1 PHE A 50 34.212 28.618 32.574 1.00 0.00 H new ATOM 0 HD2 PHE A 50 31.601 31.544 34.358 1.00 0.00 H new ATOM 0 HE1 PHE A 50 33.527 26.959 34.287 1.00 0.00 H new ATOM 0 HE2 PHE A 50 30.951 29.889 36.103 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.882 27.585 36.035 1.00 0.00 H new ATOM 832 N ILE A 51 32.071 33.039 29.592 1.00 0.00 N ATOM 833 CA ILE A 51 32.220 33.875 28.385 1.00 0.00 C ATOM 834 C ILE A 51 32.078 35.361 28.745 1.00 0.00 C ATOM 835 O ILE A 51 30.997 35.810 29.120 1.00 0.00 O ATOM 836 CB ILE A 51 31.194 33.465 27.293 1.00 0.00 C ATOM 837 CG1 ILE A 51 31.166 31.949 26.957 1.00 0.00 C ATOM 838 CG2 ILE A 51 31.495 34.234 25.994 1.00 0.00 C ATOM 839 CD1 ILE A 51 30.144 31.147 27.782 1.00 0.00 C ATOM 0 H ILE A 51 31.330 33.359 30.215 1.00 0.00 H new ATOM 0 HA ILE A 51 33.218 33.715 27.977 1.00 0.00 H new ATOM 0 HB ILE A 51 30.218 33.713 27.709 1.00 0.00 H new ATOM 0 HG12 ILE A 51 30.940 31.826 25.898 1.00 0.00 H new ATOM 0 HG13 ILE A 51 32.159 31.532 27.122 1.00 0.00 H new ATOM 0 HG21 ILE A 51 30.776 33.947 25.227 1.00 0.00 H new ATOM 0 HG22 ILE A 51 31.420 35.305 26.180 1.00 0.00 H new ATOM 0 HG23 ILE A 51 32.503 33.994 25.655 1.00 0.00 H new ATOM 0 HD11 ILE A 51 30.184 30.098 27.490 1.00 0.00 H new ATOM 0 HD12 ILE A 51 30.380 31.238 28.842 1.00 0.00 H new ATOM 0 HD13 ILE A 51 29.143 31.537 27.599 1.00 0.00 H new ATOM 851 N GLU A 52 33.158 36.133 28.641 1.00 0.00 N ATOM 852 CA GLU A 52 33.215 37.561 28.984 1.00 0.00 C ATOM 853 C GLU A 52 32.604 38.468 27.893 1.00 0.00 C ATOM 854 O GLU A 52 32.632 38.118 26.713 1.00 0.00 O ATOM 855 CB GLU A 52 34.686 37.920 29.251 1.00 0.00 C ATOM 856 CG GLU A 52 34.877 39.190 30.083 1.00 0.00 C ATOM 857 CD GLU A 52 36.171 39.120 30.917 1.00 0.00 C ATOM 858 OE1 GLU A 52 36.256 38.253 31.819 1.00 0.00 O ATOM 859 OE2 GLU A 52 37.099 39.925 30.670 1.00 0.00 O ATOM 0 H GLU A 52 34.051 35.773 28.304 1.00 0.00 H new ATOM 0 HA GLU A 52 32.609 37.736 29.873 1.00 0.00 H new ATOM 0 HB2 GLU A 52 35.165 37.086 29.765 1.00 0.00 H new ATOM 0 HB3 GLU A 52 35.198 38.043 28.297 1.00 0.00 H new ATOM 0 HG2 GLU A 52 34.912 40.058 29.424 1.00 0.00 H new ATOM 0 HG3 GLU A 52 34.022 39.327 30.745 1.00 0.00 H new ATOM 866 N PHE A 53 32.101 39.654 28.259 1.00 0.00 N ATOM 867 CA PHE A 53 31.470 40.621 27.347 1.00 0.00 C ATOM 868 C PHE A 53 31.857 42.078 27.644 1.00 0.00 C ATOM 869 O PHE A 53 31.985 42.488 28.798 1.00 0.00 O ATOM 870 CB PHE A 53 29.940 40.489 27.414 1.00 0.00 C ATOM 871 CG PHE A 53 29.344 39.519 26.420 1.00 0.00 C ATOM 872 CD1 PHE A 53 29.247 39.890 25.065 1.00 0.00 C ATOM 873 CD2 PHE A 53 28.817 38.287 26.841 1.00 0.00 C ATOM 874 CE1 PHE A 53 28.594 39.052 24.148 1.00 0.00 C ATOM 875 CE2 PHE A 53 28.156 37.453 25.922 1.00 0.00 C ATOM 876 CZ PHE A 53 28.028 37.845 24.582 1.00 0.00 C ATOM 0 H PHE A 53 32.122 39.978 29.226 1.00 0.00 H new ATOM 0 HA PHE A 53 31.837 40.382 26.349 1.00 0.00 H new ATOM 0 HB2 PHE A 53 29.660 40.175 28.420 1.00 0.00 H new ATOM 0 HB3 PHE A 53 29.497 41.472 27.252 1.00 0.00 H new ATOM 0 HD1 PHE A 53 29.677 40.823 24.730 1.00 0.00 H new ATOM 0 HD2 PHE A 53 28.920 37.980 27.871 1.00 0.00 H new ATOM 0 HE1 PHE A 53 28.528 39.337 23.108 1.00 0.00 H new ATOM 0 HE2 PHE A 53 27.746 36.509 26.249 1.00 0.00 H new ATOM 0 HZ PHE A 53 27.494 37.217 23.884 1.00 0.00 H new ATOM 886 N GLU A 54 31.973 42.880 26.584 1.00 0.00 N ATOM 887 CA GLU A 54 32.332 44.306 26.648 1.00 0.00 C ATOM 888 C GLU A 54 31.246 45.229 27.247 1.00 0.00 C ATOM 889 O GLU A 54 31.590 46.292 27.762 1.00 0.00 O ATOM 890 CB GLU A 54 32.805 44.769 25.256 1.00 0.00 C ATOM 891 CG GLU A 54 31.749 44.718 24.130 1.00 0.00 C ATOM 892 CD GLU A 54 30.881 45.984 23.986 1.00 0.00 C ATOM 893 OE1 GLU A 54 31.384 47.118 24.181 1.00 0.00 O ATOM 894 OE2 GLU A 54 29.701 45.844 23.587 1.00 0.00 O ATOM 0 H GLU A 54 31.817 42.552 25.631 1.00 0.00 H new ATOM 0 HA GLU A 54 33.150 44.397 27.363 1.00 0.00 H new ATOM 0 HB2 GLU A 54 33.168 45.793 25.340 1.00 0.00 H new ATOM 0 HB3 GLU A 54 33.654 44.153 24.959 1.00 0.00 H new ATOM 0 HG2 GLU A 54 32.259 44.537 23.184 1.00 0.00 H new ATOM 0 HG3 GLU A 54 31.093 43.866 24.307 1.00 0.00 H new ATOM 901 N ASP A 55 29.969 44.825 27.251 1.00 0.00 N ATOM 902 CA ASP A 55 28.855 45.520 27.929 1.00 0.00 C ATOM 903 C ASP A 55 27.756 44.534 28.389 1.00 0.00 C ATOM 904 O ASP A 55 27.423 43.572 27.691 1.00 0.00 O ATOM 905 CB ASP A 55 28.233 46.613 27.022 1.00 0.00 C ATOM 906 CG ASP A 55 28.852 48.024 27.129 1.00 0.00 C ATOM 907 OD1 ASP A 55 29.360 48.383 28.216 1.00 0.00 O ATOM 908 OD2 ASP A 55 28.685 48.837 26.186 1.00 0.00 O ATOM 0 H ASP A 55 29.668 43.978 26.768 1.00 0.00 H new ATOM 0 HA ASP A 55 29.279 45.997 28.813 1.00 0.00 H new ATOM 0 HB2 ASP A 55 28.311 46.283 25.986 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.171 46.687 27.254 1.00 0.00 H new ATOM 913 N ALA A 56 27.169 44.796 29.565 1.00 0.00 N ATOM 914 CA ALA A 56 26.229 43.894 30.238 1.00 0.00 C ATOM 915 C ALA A 56 24.834 43.825 29.583 1.00 0.00 C ATOM 916 O ALA A 56 24.286 42.737 29.397 1.00 0.00 O ATOM 917 CB ALA A 56 26.116 44.340 31.703 1.00 0.00 C ATOM 0 H ALA A 56 27.339 45.658 30.084 1.00 0.00 H new ATOM 0 HA ALA A 56 26.625 42.882 30.155 1.00 0.00 H new ATOM 0 HB1 ALA A 56 25.422 43.686 32.230 1.00 0.00 H new ATOM 0 HB2 ALA A 56 27.096 44.286 32.177 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.750 45.366 31.744 1.00 0.00 H new ATOM 923 N ARG A 57 24.237 44.977 29.239 1.00 0.00 N ATOM 924 CA ARG A 57 22.822 45.056 28.810 1.00 0.00 C ATOM 925 C ARG A 57 22.574 44.498 27.405 1.00 0.00 C ATOM 926 O ARG A 57 21.486 43.996 27.137 1.00 0.00 O ATOM 927 CB ARG A 57 22.280 46.493 28.938 1.00 0.00 C ATOM 928 CG ARG A 57 22.128 46.974 30.398 1.00 0.00 C ATOM 929 CD ARG A 57 23.343 47.737 30.953 1.00 0.00 C ATOM 930 NE ARG A 57 23.504 49.053 30.298 1.00 0.00 N ATOM 931 CZ ARG A 57 22.943 50.197 30.656 1.00 0.00 C ATOM 932 NH1 ARG A 57 22.187 50.302 31.711 1.00 0.00 N ATOM 933 NH2 ARG A 57 23.135 51.273 29.949 1.00 0.00 N ATOM 0 H ARG A 57 24.714 45.878 29.248 1.00 0.00 H new ATOM 0 HA ARG A 57 22.268 44.411 29.492 1.00 0.00 H new ATOM 0 HB2 ARG A 57 22.949 47.172 28.409 1.00 0.00 H new ATOM 0 HB3 ARG A 57 21.310 46.551 28.443 1.00 0.00 H new ATOM 0 HG2 ARG A 57 21.251 47.617 30.465 1.00 0.00 H new ATOM 0 HG3 ARG A 57 21.938 46.109 31.033 1.00 0.00 H new ATOM 0 HD2 ARG A 57 23.226 47.877 32.028 1.00 0.00 H new ATOM 0 HD3 ARG A 57 24.245 47.143 30.805 1.00 0.00 H new ATOM 0 HE ARG A 57 24.114 49.082 29.481 1.00 0.00 H new ATOM 0 HH11 ARG A 57 22.009 49.484 32.295 1.00 0.00 H new ATOM 0 HH12 ARG A 57 21.772 51.202 31.954 1.00 0.00 H new ATOM 0 HH21 ARG A 57 23.720 51.237 29.114 1.00 0.00 H new ATOM 0 HH22 ARG A 57 22.700 52.152 30.230 1.00 0.00 H new ATOM 947 N ASP A 58 23.575 44.538 26.526 1.00 0.00 N ATOM 948 CA ASP A 58 23.500 43.915 25.194 1.00 0.00 C ATOM 949 C ASP A 58 23.624 42.376 25.293 1.00 0.00 C ATOM 950 O ASP A 58 22.850 41.636 24.684 1.00 0.00 O ATOM 951 CB ASP A 58 24.577 44.545 24.290 1.00 0.00 C ATOM 952 CG ASP A 58 24.268 44.484 22.779 1.00 0.00 C ATOM 953 OD1 ASP A 58 23.269 43.854 22.354 1.00 0.00 O ATOM 954 OD2 ASP A 58 25.005 45.137 22.000 1.00 0.00 O ATOM 0 H ASP A 58 24.464 45.002 26.712 1.00 0.00 H new ATOM 0 HA ASP A 58 22.525 44.106 24.745 1.00 0.00 H new ATOM 0 HB2 ASP A 58 24.709 45.588 24.578 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.526 44.041 24.473 1.00 0.00 H new ATOM 959 N ALA A 59 24.520 41.885 26.159 1.00 0.00 N ATOM 960 CA ALA A 59 24.663 40.460 26.482 1.00 0.00 C ATOM 961 C ALA A 59 23.446 39.867 27.227 1.00 0.00 C ATOM 962 O ALA A 59 23.165 38.672 27.105 1.00 0.00 O ATOM 963 CB ALA A 59 25.946 40.292 27.302 1.00 0.00 C ATOM 0 H ALA A 59 25.178 42.479 26.664 1.00 0.00 H new ATOM 0 HA ALA A 59 24.719 39.901 25.548 1.00 0.00 H new ATOM 0 HB1 ALA A 59 26.079 39.241 27.558 1.00 0.00 H new ATOM 0 HB2 ALA A 59 26.799 40.634 26.717 1.00 0.00 H new ATOM 0 HB3 ALA A 59 25.873 40.881 28.216 1.00 0.00 H new ATOM 969 N ALA A 60 22.687 40.683 27.965 1.00 0.00 N ATOM 970 CA ALA A 60 21.496 40.244 28.699 1.00 0.00 C ATOM 971 C ALA A 60 20.382 39.685 27.788 1.00 0.00 C ATOM 972 O ALA A 60 19.624 38.814 28.218 1.00 0.00 O ATOM 973 CB ALA A 60 20.985 41.408 29.556 1.00 0.00 C ATOM 0 H ALA A 60 22.885 41.678 28.071 1.00 0.00 H new ATOM 0 HA ALA A 60 21.787 39.409 29.336 1.00 0.00 H new ATOM 0 HB1 ALA A 60 20.099 41.093 30.107 1.00 0.00 H new ATOM 0 HB2 ALA A 60 21.761 41.710 30.259 1.00 0.00 H new ATOM 0 HB3 ALA A 60 20.731 42.250 28.912 1.00 0.00 H new ATOM 979 N ASP A 61 20.302 40.107 26.521 1.00 0.00 N ATOM 980 CA ASP A 61 19.370 39.517 25.546 1.00 0.00 C ATOM 981 C ASP A 61 19.689 38.044 25.224 1.00 0.00 C ATOM 982 O ASP A 61 18.773 37.274 24.937 1.00 0.00 O ATOM 983 CB ASP A 61 19.324 40.358 24.259 1.00 0.00 C ATOM 984 CG ASP A 61 18.595 41.710 24.407 1.00 0.00 C ATOM 985 OD1 ASP A 61 17.794 41.894 25.358 1.00 0.00 O ATOM 986 OD2 ASP A 61 18.772 42.578 23.520 1.00 0.00 O ATOM 0 H ASP A 61 20.875 40.861 26.142 1.00 0.00 H new ATOM 0 HA ASP A 61 18.385 39.527 26.012 1.00 0.00 H new ATOM 0 HB2 ASP A 61 20.345 40.544 23.924 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.833 39.778 23.478 1.00 0.00 H new ATOM 991 N ALA A 62 20.956 37.622 25.339 1.00 0.00 N ATOM 992 CA ALA A 62 21.330 36.210 25.290 1.00 0.00 C ATOM 993 C ALA A 62 20.938 35.489 26.588 1.00 0.00 C ATOM 994 O ALA A 62 20.267 34.459 26.551 1.00 0.00 O ATOM 995 CB ALA A 62 22.836 36.086 25.017 1.00 0.00 C ATOM 0 H ALA A 62 21.747 38.253 25.468 1.00 0.00 H new ATOM 0 HA ALA A 62 20.786 35.728 24.478 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.114 35.033 24.981 1.00 0.00 H new ATOM 0 HB2 ALA A 62 23.073 36.557 24.063 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.392 36.581 25.813 1.00 0.00 H new ATOM 1001 N ILE A 63 21.305 36.043 27.753 1.00 0.00 N ATOM 1002 CA ILE A 63 21.089 35.389 29.055 1.00 0.00 C ATOM 1003 C ILE A 63 19.594 35.152 29.343 1.00 0.00 C ATOM 1004 O ILE A 63 19.237 34.102 29.882 1.00 0.00 O ATOM 1005 CB ILE A 63 21.840 36.165 30.173 1.00 0.00 C ATOM 1006 CG1 ILE A 63 22.664 35.223 31.078 1.00 0.00 C ATOM 1007 CG2 ILE A 63 20.971 37.119 31.014 1.00 0.00 C ATOM 1008 CD1 ILE A 63 21.884 34.399 32.110 1.00 0.00 C ATOM 0 H ILE A 63 21.759 36.954 27.821 1.00 0.00 H new ATOM 0 HA ILE A 63 21.521 34.388 29.027 1.00 0.00 H new ATOM 0 HB ILE A 63 22.522 36.815 29.625 1.00 0.00 H new ATOM 0 HG12 ILE A 63 23.215 34.533 30.438 1.00 0.00 H new ATOM 0 HG13 ILE A 63 23.402 35.823 31.610 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.591 37.610 31.764 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.523 37.871 30.365 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.183 36.552 31.509 1.00 0.00 H new ATOM 0 HD11 ILE A 63 22.577 33.780 32.680 1.00 0.00 H new ATOM 0 HD12 ILE A 63 21.355 35.070 32.787 1.00 0.00 H new ATOM 0 HD13 ILE A 63 21.165 33.760 31.597 1.00 0.00 H new ATOM 1020 N LYS A 64 18.708 36.072 28.928 1.00 0.00 N ATOM 1021 CA LYS A 64 17.253 35.938 29.121 1.00 0.00 C ATOM 1022 C LYS A 64 16.567 34.979 28.140 1.00 0.00 C ATOM 1023 O LYS A 64 15.538 34.412 28.497 1.00 0.00 O ATOM 1024 CB LYS A 64 16.589 37.328 29.189 1.00 0.00 C ATOM 1025 CG LYS A 64 16.428 38.098 27.863 1.00 0.00 C ATOM 1026 CD LYS A 64 15.121 37.781 27.113 1.00 0.00 C ATOM 1027 CE LYS A 64 14.879 38.729 25.929 1.00 0.00 C ATOM 1028 NZ LYS A 64 14.478 40.092 26.366 1.00 0.00 N ATOM 0 H LYS A 64 18.980 36.931 28.449 1.00 0.00 H new ATOM 0 HA LYS A 64 17.108 35.451 30.085 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.600 37.209 29.632 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.172 37.948 29.871 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.468 39.168 28.068 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.273 37.866 27.215 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.153 36.753 26.751 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.282 37.849 27.806 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.787 38.795 25.329 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.102 38.313 25.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.261 40.674 25.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.636 40.028 26.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.257 40.529 26.900 1.00 0.00 H new ATOM 1042 N GLU A 65 17.105 34.764 26.933 1.00 0.00 N ATOM 1043 CA GLU A 65 16.541 33.788 25.976 1.00 0.00 C ATOM 1044 C GLU A 65 17.071 32.360 26.224 1.00 0.00 C ATOM 1045 O GLU A 65 16.328 31.385 26.091 1.00 0.00 O ATOM 1046 CB GLU A 65 16.694 34.295 24.526 1.00 0.00 C ATOM 1047 CG GLU A 65 18.030 34.038 23.807 1.00 0.00 C ATOM 1048 CD GLU A 65 18.018 32.818 22.858 1.00 0.00 C ATOM 1049 OE1 GLU A 65 17.269 31.840 23.090 1.00 0.00 O ATOM 1050 OE2 GLU A 65 18.791 32.814 21.869 1.00 0.00 O ATOM 0 H GLU A 65 17.933 35.252 26.590 1.00 0.00 H new ATOM 0 HA GLU A 65 15.468 33.706 26.147 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.902 33.843 23.929 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.518 35.371 24.528 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.298 34.926 23.234 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.810 33.894 24.555 1.00 0.00 H new ATOM 1057 N LYS A 66 18.323 32.238 26.697 1.00 0.00 N ATOM 1058 CA LYS A 66 18.953 30.997 27.183 1.00 0.00 C ATOM 1059 C LYS A 66 18.487 30.557 28.592 1.00 0.00 C ATOM 1060 O LYS A 66 19.037 29.601 29.136 1.00 0.00 O ATOM 1061 CB LYS A 66 20.485 31.177 27.151 1.00 0.00 C ATOM 1062 CG LYS A 66 21.143 31.406 25.779 1.00 0.00 C ATOM 1063 CD LYS A 66 21.171 30.176 24.855 1.00 0.00 C ATOM 1064 CE LYS A 66 19.917 30.082 23.979 1.00 0.00 C ATOM 1065 NZ LYS A 66 19.983 28.931 23.040 1.00 0.00 N ATOM 0 H LYS A 66 18.953 33.038 26.754 1.00 0.00 H new ATOM 0 HA LYS A 66 18.638 30.194 26.516 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.738 32.022 27.791 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.937 30.292 27.598 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.614 32.212 25.270 1.00 0.00 H new ATOM 0 HG3 LYS A 66 22.167 31.746 25.937 1.00 0.00 H new ATOM 0 HD2 LYS A 66 22.054 30.222 24.218 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.259 29.272 25.458 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.037 29.983 24.614 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.799 31.006 23.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.117 28.902 22.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.809 29.038 22.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.070 28.047 23.580 1.00 0.00 H new ATOM 1079 N ASP A 67 17.520 31.249 29.204 1.00 0.00 N ATOM 1080 CA ASP A 67 17.085 31.016 30.594 1.00 0.00 C ATOM 1081 C ASP A 67 16.370 29.663 30.836 1.00 0.00 C ATOM 1082 O ASP A 67 16.066 28.904 29.910 1.00 0.00 O ATOM 1083 CB ASP A 67 16.245 32.205 31.104 1.00 0.00 C ATOM 1084 CG ASP A 67 14.761 32.257 30.668 1.00 0.00 C ATOM 1085 OD1 ASP A 67 14.337 31.550 29.724 1.00 0.00 O ATOM 1086 OD2 ASP A 67 13.994 33.006 31.318 1.00 0.00 O ATOM 0 H ASP A 67 17.006 32.000 28.743 1.00 0.00 H new ATOM 0 HA ASP A 67 18.001 30.945 31.181 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.278 32.200 32.193 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.727 33.126 30.775 1.00 0.00 H new ATOM 1091 N GLY A 68 16.095 29.363 32.113 1.00 0.00 N ATOM 1092 CA GLY A 68 15.384 28.161 32.562 1.00 0.00 C ATOM 1093 C GLY A 68 16.288 26.925 32.642 1.00 0.00 C ATOM 1094 O GLY A 68 16.388 26.147 31.691 1.00 0.00 O ATOM 0 H GLY A 68 16.371 29.970 32.885 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.947 28.349 33.543 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.559 27.957 31.879 1.00 0.00 H new ATOM 1098 N CYS A 69 16.945 26.738 33.794 1.00 0.00 N ATOM 1099 CA CYS A 69 17.755 25.552 34.084 1.00 0.00 C ATOM 1100 C CYS A 69 16.904 24.270 34.236 1.00 0.00 C ATOM 1101 O CYS A 69 15.699 24.322 34.501 1.00 0.00 O ATOM 1102 CB CYS A 69 18.631 25.829 35.318 1.00 0.00 C ATOM 1103 SG CYS A 69 17.619 26.132 36.801 1.00 0.00 S ATOM 0 H CYS A 69 16.928 27.414 34.558 1.00 0.00 H new ATOM 0 HA CYS A 69 18.404 25.357 33.230 1.00 0.00 H new ATOM 0 HB2 CYS A 69 19.292 24.980 35.494 1.00 0.00 H new ATOM 0 HB3 CYS A 69 19.267 26.694 35.127 1.00 0.00 H new ATOM 0 HG CYS A 69 18.396 26.359 37.818 1.00 0.00 H new ATOM 1109 N ASP A 70 17.539 23.114 34.043 1.00 0.00 N ATOM 1110 CA ASP A 70 16.896 21.802 33.949 1.00 0.00 C ATOM 1111 C ASP A 70 17.782 20.679 34.530 1.00 0.00 C ATOM 1112 O ASP A 70 19.012 20.785 34.569 1.00 0.00 O ATOM 1113 CB ASP A 70 16.525 21.542 32.476 1.00 0.00 C ATOM 1114 CG ASP A 70 15.378 20.538 32.274 1.00 0.00 C ATOM 1115 OD1 ASP A 70 14.835 19.991 33.262 1.00 0.00 O ATOM 1116 OD2 ASP A 70 15.013 20.313 31.098 1.00 0.00 O ATOM 0 H ASP A 70 18.553 23.063 33.944 1.00 0.00 H new ATOM 0 HA ASP A 70 15.989 21.802 34.554 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.248 22.489 32.012 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.408 21.176 31.952 1.00 0.00 H new ATOM 1121 N PHE A 71 17.138 19.627 35.036 1.00 0.00 N ATOM 1122 CA PHE A 71 17.737 18.580 35.878 1.00 0.00 C ATOM 1123 C PHE A 71 16.828 17.336 35.978 1.00 0.00 C ATOM 1124 O PHE A 71 15.667 17.358 35.570 1.00 0.00 O ATOM 1125 CB PHE A 71 18.049 19.167 37.275 1.00 0.00 C ATOM 1126 CG PHE A 71 17.020 20.142 37.830 1.00 0.00 C ATOM 1127 CD1 PHE A 71 15.808 19.674 38.372 1.00 0.00 C ATOM 1128 CD2 PHE A 71 17.263 21.529 37.774 1.00 0.00 C ATOM 1129 CE1 PHE A 71 14.852 20.585 38.858 1.00 0.00 C ATOM 1130 CE2 PHE A 71 16.308 22.439 38.255 1.00 0.00 C ATOM 1131 CZ PHE A 71 15.100 21.969 38.799 1.00 0.00 C ATOM 0 H PHE A 71 16.144 19.471 34.866 1.00 0.00 H new ATOM 0 HA PHE A 71 18.666 18.246 35.416 1.00 0.00 H new ATOM 0 HB2 PHE A 71 18.156 18.342 37.979 1.00 0.00 H new ATOM 0 HB3 PHE A 71 19.013 19.673 37.228 1.00 0.00 H new ATOM 0 HD1 PHE A 71 15.611 18.613 38.415 1.00 0.00 H new ATOM 0 HD2 PHE A 71 18.190 21.895 37.358 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.926 20.221 39.277 1.00 0.00 H new ATOM 0 HE2 PHE A 71 16.502 23.500 38.207 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.365 22.668 39.170 1.00 0.00 H new ATOM 1141 N GLU A 72 17.362 16.237 36.533 1.00 0.00 N ATOM 1142 CA GLU A 72 16.638 14.974 36.814 1.00 0.00 C ATOM 1143 C GLU A 72 15.996 14.298 35.575 1.00 0.00 C ATOM 1144 O GLU A 72 14.982 13.602 35.677 1.00 0.00 O ATOM 1145 CB GLU A 72 15.659 15.145 37.995 1.00 0.00 C ATOM 1146 CG GLU A 72 16.349 15.626 39.283 1.00 0.00 C ATOM 1147 CD GLU A 72 15.409 15.590 40.508 1.00 0.00 C ATOM 1148 OE1 GLU A 72 14.200 15.912 40.383 1.00 0.00 O ATOM 1149 OE2 GLU A 72 15.882 15.256 41.623 1.00 0.00 O ATOM 0 H GLU A 72 18.343 16.195 36.810 1.00 0.00 H new ATOM 0 HA GLU A 72 17.400 14.257 37.118 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.884 15.859 37.717 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.162 14.194 38.189 1.00 0.00 H new ATOM 0 HG2 GLU A 72 17.220 15.001 39.479 1.00 0.00 H new ATOM 0 HG3 GLU A 72 16.713 16.643 39.138 1.00 0.00 H new ATOM 1156 N GLY A 73 16.593 14.494 34.394 1.00 0.00 N ATOM 1157 CA GLY A 73 16.160 13.886 33.123 1.00 0.00 C ATOM 1158 C GLY A 73 16.734 14.563 31.868 1.00 0.00 C ATOM 1159 O GLY A 73 16.852 13.925 30.820 1.00 0.00 O ATOM 0 H GLY A 73 17.411 15.094 34.289 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.450 12.835 33.119 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.072 13.916 33.072 1.00 0.00 H new ATOM 1163 N ASN A 74 17.142 15.829 31.983 1.00 0.00 N ATOM 1164 CA ASN A 74 17.815 16.613 30.942 1.00 0.00 C ATOM 1165 C ASN A 74 18.919 17.496 31.565 1.00 0.00 C ATOM 1166 O ASN A 74 18.782 17.953 32.704 1.00 0.00 O ATOM 1167 CB ASN A 74 16.747 17.434 30.195 1.00 0.00 C ATOM 1168 CG ASN A 74 17.325 18.371 29.147 1.00 0.00 C ATOM 1169 OD1 ASN A 74 18.206 18.013 28.380 1.00 0.00 O ATOM 1170 ND2 ASN A 74 16.870 19.602 29.099 1.00 0.00 N ATOM 0 H ASN A 74 17.007 16.361 32.843 1.00 0.00 H new ATOM 0 HA ASN A 74 18.315 15.962 30.225 1.00 0.00 H new ATOM 0 HB2 ASN A 74 16.046 16.752 29.714 1.00 0.00 H new ATOM 0 HB3 ASN A 74 16.177 18.018 30.918 1.00 0.00 H new ATOM 0 HD21 ASN A 74 17.252 20.261 28.421 1.00 0.00 H new ATOM 0 HD22 ASN A 74 16.134 19.899 29.740 1.00 0.00 H new ATOM 1177 N LYS A 75 20.016 17.711 30.839 1.00 0.00 N ATOM 1178 CA LYS A 75 21.192 18.500 31.256 1.00 0.00 C ATOM 1179 C LYS A 75 21.228 19.840 30.499 1.00 0.00 C ATOM 1180 O LYS A 75 21.505 19.855 29.298 1.00 0.00 O ATOM 1181 CB LYS A 75 22.467 17.667 30.997 1.00 0.00 C ATOM 1182 CG LYS A 75 22.962 16.786 32.160 1.00 0.00 C ATOM 1183 CD LYS A 75 21.997 15.677 32.621 1.00 0.00 C ATOM 1184 CE LYS A 75 21.149 16.066 33.842 1.00 0.00 C ATOM 1185 NZ LYS A 75 21.955 16.112 35.092 1.00 0.00 N ATOM 0 H LYS A 75 20.121 17.326 29.900 1.00 0.00 H new ATOM 0 HA LYS A 75 21.133 18.730 32.320 1.00 0.00 H new ATOM 0 HB2 LYS A 75 22.285 17.024 30.136 1.00 0.00 H new ATOM 0 HB3 LYS A 75 23.270 18.350 30.721 1.00 0.00 H new ATOM 0 HG2 LYS A 75 23.903 16.322 31.864 1.00 0.00 H new ATOM 0 HG3 LYS A 75 23.178 17.430 33.012 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.333 15.419 31.796 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.572 14.782 32.859 1.00 0.00 H new ATOM 0 HE2 LYS A 75 20.692 17.041 33.670 1.00 0.00 H new ATOM 0 HE3 LYS A 75 20.336 15.350 33.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 21.325 16.261 35.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.465 15.214 35.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.639 16.894 35.036 1.00 0.00 H new ATOM 1199 N LEU A 76 20.940 20.943 31.203 1.00 0.00 N ATOM 1200 CA LEU A 76 21.230 22.335 30.799 1.00 0.00 C ATOM 1201 C LEU A 76 21.000 23.306 31.976 1.00 0.00 C ATOM 1202 O LEU A 76 20.026 23.173 32.714 1.00 0.00 O ATOM 1203 CB LEU A 76 20.348 22.754 29.598 1.00 0.00 C ATOM 1204 CG LEU A 76 21.158 22.970 28.303 1.00 0.00 C ATOM 1205 CD1 LEU A 76 20.217 23.067 27.102 1.00 0.00 C ATOM 1206 CD2 LEU A 76 21.995 24.250 28.364 1.00 0.00 C ATOM 0 H LEU A 76 20.478 20.892 32.111 1.00 0.00 H new ATOM 0 HA LEU A 76 22.277 22.383 30.501 1.00 0.00 H new ATOM 0 HB2 LEU A 76 19.592 21.988 29.424 1.00 0.00 H new ATOM 0 HB3 LEU A 76 19.818 23.674 29.846 1.00 0.00 H new ATOM 0 HG LEU A 76 21.826 22.115 28.198 1.00 0.00 H new ATOM 0 HD11 LEU A 76 20.800 23.219 26.194 1.00 0.00 H new ATOM 0 HD12 LEU A 76 19.643 22.145 27.014 1.00 0.00 H new ATOM 0 HD13 LEU A 76 19.536 23.906 27.241 1.00 0.00 H new ATOM 0 HD21 LEU A 76 22.551 24.366 27.433 1.00 0.00 H new ATOM 0 HD22 LEU A 76 21.338 25.108 28.504 1.00 0.00 H new ATOM 0 HD23 LEU A 76 22.694 24.188 29.198 1.00 0.00 H new ATOM 1218 N ARG A 77 21.864 24.313 32.137 1.00 0.00 N ATOM 1219 CA ARG A 77 21.755 25.394 33.137 1.00 0.00 C ATOM 1220 C ARG A 77 22.446 26.663 32.627 1.00 0.00 C ATOM 1221 O ARG A 77 23.545 26.584 32.095 1.00 0.00 O ATOM 1222 CB ARG A 77 22.352 24.903 34.474 1.00 0.00 C ATOM 1223 CG ARG A 77 22.569 26.015 35.518 1.00 0.00 C ATOM 1224 CD ARG A 77 23.035 25.465 36.870 1.00 0.00 C ATOM 1225 NE ARG A 77 21.920 24.869 37.641 1.00 0.00 N ATOM 1226 CZ ARG A 77 21.680 25.030 38.930 1.00 0.00 C ATOM 1227 NH1 ARG A 77 22.479 25.700 39.708 1.00 0.00 N ATOM 1228 NH2 ARG A 77 20.618 24.509 39.476 1.00 0.00 N ATOM 0 H ARG A 77 22.695 24.406 31.553 1.00 0.00 H new ATOM 0 HA ARG A 77 20.708 25.649 33.303 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.691 24.147 34.898 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.307 24.416 34.275 1.00 0.00 H new ATOM 0 HG2 ARG A 77 23.308 26.723 35.143 1.00 0.00 H new ATOM 0 HG3 ARG A 77 21.639 26.568 35.655 1.00 0.00 H new ATOM 0 HD2 ARG A 77 23.807 24.713 36.709 1.00 0.00 H new ATOM 0 HD3 ARG A 77 23.489 26.268 37.451 1.00 0.00 H new ATOM 0 HE ARG A 77 21.272 24.274 37.125 1.00 0.00 H new ATOM 0 HH11 ARG A 77 23.325 26.123 39.327 1.00 0.00 H new ATOM 0 HH12 ARG A 77 22.259 25.802 40.699 1.00 0.00 H new ATOM 0 HH21 ARG A 77 19.964 23.972 38.907 1.00 0.00 H new ATOM 0 HH22 ARG A 77 20.441 24.639 40.472 1.00 0.00 H new ATOM 1242 N VAL A 78 21.836 27.833 32.827 1.00 0.00 N ATOM 1243 CA VAL A 78 22.420 29.144 32.477 1.00 0.00 C ATOM 1244 C VAL A 78 22.068 30.161 33.566 1.00 0.00 C ATOM 1245 O VAL A 78 20.911 30.252 33.979 1.00 0.00 O ATOM 1246 CB VAL A 78 21.953 29.630 31.085 1.00 0.00 C ATOM 1247 CG1 VAL A 78 22.636 30.943 30.679 1.00 0.00 C ATOM 1248 CG2 VAL A 78 22.260 28.611 29.981 1.00 0.00 C ATOM 0 H VAL A 78 20.907 27.905 33.243 1.00 0.00 H new ATOM 0 HA VAL A 78 23.503 29.038 32.421 1.00 0.00 H new ATOM 0 HB VAL A 78 20.876 29.770 31.181 1.00 0.00 H new ATOM 0 HG11 VAL A 78 22.280 31.249 29.695 1.00 0.00 H new ATOM 0 HG12 VAL A 78 22.398 31.717 31.408 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.716 30.796 30.645 1.00 0.00 H new ATOM 0 HG21 VAL A 78 21.913 28.997 29.023 1.00 0.00 H new ATOM 0 HG22 VAL A 78 23.335 28.437 29.935 1.00 0.00 H new ATOM 0 HG23 VAL A 78 21.750 27.673 30.200 1.00 0.00 H new ATOM 1258 N GLU A 79 23.062 30.904 34.052 1.00 0.00 N ATOM 1259 CA GLU A 79 22.933 31.849 35.170 1.00 0.00 C ATOM 1260 C GLU A 79 24.007 32.952 35.085 1.00 0.00 C ATOM 1261 O GLU A 79 25.058 32.776 34.466 1.00 0.00 O ATOM 1262 CB GLU A 79 22.965 31.057 36.500 1.00 0.00 C ATOM 1263 CG GLU A 79 23.016 31.903 37.781 1.00 0.00 C ATOM 1264 CD GLU A 79 22.914 31.029 39.047 1.00 0.00 C ATOM 1265 OE1 GLU A 79 21.850 30.402 39.275 1.00 0.00 O ATOM 1266 OE2 GLU A 79 23.895 30.984 39.828 1.00 0.00 O ATOM 0 H GLU A 79 24.007 30.867 33.671 1.00 0.00 H new ATOM 0 HA GLU A 79 21.977 32.370 35.119 1.00 0.00 H new ATOM 0 HB2 GLU A 79 22.082 30.420 36.543 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.833 30.398 36.488 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.946 32.471 37.805 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.201 32.627 37.772 1.00 0.00 H new ATOM 1273 N VAL A 80 23.748 34.107 35.704 1.00 0.00 N ATOM 1274 CA VAL A 80 24.646 35.270 35.716 1.00 0.00 C ATOM 1275 C VAL A 80 24.887 35.754 37.162 1.00 0.00 C ATOM 1276 O VAL A 80 24.147 36.603 37.659 1.00 0.00 O ATOM 1277 CB VAL A 80 24.143 36.340 34.718 1.00 0.00 C ATOM 1278 CG1 VAL A 80 22.714 36.864 34.943 1.00 0.00 C ATOM 1279 CG2 VAL A 80 25.097 37.532 34.632 1.00 0.00 C ATOM 0 H VAL A 80 22.886 34.265 36.225 1.00 0.00 H new ATOM 0 HA VAL A 80 25.638 34.998 35.355 1.00 0.00 H new ATOM 0 HB VAL A 80 24.117 35.791 33.777 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.475 37.608 34.183 1.00 0.00 H new ATOM 0 HG12 VAL A 80 22.008 36.036 34.875 1.00 0.00 H new ATOM 0 HG13 VAL A 80 22.645 37.320 35.931 1.00 0.00 H new ATOM 0 HG21 VAL A 80 24.707 38.260 33.921 1.00 0.00 H new ATOM 0 HG22 VAL A 80 25.188 37.997 35.614 1.00 0.00 H new ATOM 0 HG23 VAL A 80 26.077 37.190 34.300 1.00 0.00 H new ATOM 1289 N PRO A 81 25.893 35.215 37.883 1.00 0.00 N ATOM 1290 CA PRO A 81 26.246 35.707 39.221 1.00 0.00 C ATOM 1291 C PRO A 81 26.857 37.122 39.167 1.00 0.00 C ATOM 1292 O PRO A 81 26.508 37.994 39.960 1.00 0.00 O ATOM 1293 CB PRO A 81 27.220 34.665 39.790 1.00 0.00 C ATOM 1294 CG PRO A 81 27.850 34.023 38.553 1.00 0.00 C ATOM 1295 CD PRO A 81 26.727 34.075 37.518 1.00 0.00 C ATOM 0 HA PRO A 81 25.369 35.814 39.860 1.00 0.00 H new ATOM 0 HB2 PRO A 81 27.974 35.130 40.425 1.00 0.00 H new ATOM 0 HB3 PRO A 81 26.701 33.927 40.401 1.00 0.00 H new ATOM 0 HG2 PRO A 81 28.730 34.572 38.219 1.00 0.00 H new ATOM 0 HG3 PRO A 81 28.169 32.999 38.749 1.00 0.00 H new ATOM 0 HD2 PRO A 81 27.129 34.193 36.512 1.00 0.00 H new ATOM 0 HD3 PRO A 81 26.149 33.151 37.524 1.00 0.00 H new ATOM 1303 N PHE A 82 27.718 37.374 38.179 1.00 0.00 N ATOM 1304 CA PHE A 82 28.326 38.667 37.823 1.00 0.00 C ATOM 1305 C PHE A 82 27.347 39.584 37.045 1.00 0.00 C ATOM 1306 O PHE A 82 27.649 40.081 35.957 1.00 0.00 O ATOM 1307 CB PHE A 82 29.687 38.412 37.118 1.00 0.00 C ATOM 1308 CG PHE A 82 29.836 37.058 36.433 1.00 0.00 C ATOM 1309 CD1 PHE A 82 28.910 36.654 35.453 1.00 0.00 C ATOM 1310 CD2 PHE A 82 30.840 36.163 36.844 1.00 0.00 C ATOM 1311 CE1 PHE A 82 28.959 35.351 34.927 1.00 0.00 C ATOM 1312 CE2 PHE A 82 30.910 34.871 36.291 1.00 0.00 C ATOM 1313 CZ PHE A 82 29.962 34.459 35.339 1.00 0.00 C ATOM 0 H PHE A 82 28.035 36.628 37.559 1.00 0.00 H new ATOM 0 HA PHE A 82 28.539 39.238 38.727 1.00 0.00 H new ATOM 0 HB2 PHE A 82 29.841 39.193 36.374 1.00 0.00 H new ATOM 0 HB3 PHE A 82 30.482 38.514 37.857 1.00 0.00 H new ATOM 0 HD1 PHE A 82 28.159 37.347 35.104 1.00 0.00 H new ATOM 0 HD2 PHE A 82 31.561 36.469 37.588 1.00 0.00 H new ATOM 0 HE1 PHE A 82 28.222 35.035 34.203 1.00 0.00 H new ATOM 0 HE2 PHE A 82 31.694 34.195 36.599 1.00 0.00 H new ATOM 0 HZ PHE A 82 30.005 33.462 34.927 1.00 0.00 H new ATOM 1323 N ASN A 83 26.139 39.787 37.588 1.00 0.00 N ATOM 1324 CA ASN A 83 25.064 40.594 36.991 1.00 0.00 C ATOM 1325 C ASN A 83 25.301 42.113 37.160 1.00 0.00 C ATOM 1326 O ASN A 83 24.593 42.800 37.905 1.00 0.00 O ATOM 1327 CB ASN A 83 23.713 40.121 37.559 1.00 0.00 C ATOM 1328 CG ASN A 83 22.513 40.672 36.798 1.00 0.00 C ATOM 1329 OD1 ASN A 83 22.610 41.215 35.705 1.00 0.00 O ATOM 1330 ND2 ASN A 83 21.327 40.526 37.340 1.00 0.00 N ATOM 0 H ASN A 83 25.873 39.381 38.485 1.00 0.00 H new ATOM 0 HA ASN A 83 25.056 40.440 35.912 1.00 0.00 H new ATOM 0 HB2 ASN A 83 23.679 39.032 37.538 1.00 0.00 H new ATOM 0 HB3 ASN A 83 23.641 40.422 38.604 1.00 0.00 H new ATOM 0 HD21 ASN A 83 20.498 40.863 36.851 1.00 0.00 H new ATOM 0 HD22 ASN A 83 21.234 40.075 38.250 1.00 0.00 H new ATOM 1337 N ALA A 84 26.329 42.636 36.490 1.00 0.00 N ATOM 1338 CA ALA A 84 26.698 44.050 36.522 1.00 0.00 C ATOM 1339 C ALA A 84 25.601 44.973 35.938 1.00 0.00 C ATOM 1340 O ALA A 84 24.875 44.600 35.012 1.00 0.00 O ATOM 1341 CB ALA A 84 28.033 44.223 35.782 1.00 0.00 C ATOM 0 H ALA A 84 26.941 42.075 35.897 1.00 0.00 H new ATOM 0 HA ALA A 84 26.807 44.355 37.563 1.00 0.00 H new ATOM 0 HB1 ALA A 84 28.323 45.273 35.796 1.00 0.00 H new ATOM 0 HB2 ALA A 84 28.802 43.627 36.274 1.00 0.00 H new ATOM 0 HB3 ALA A 84 27.922 43.891 34.750 1.00 0.00 H new ATOM 1347 N ARG A 85 25.539 46.211 36.455 1.00 0.00 N ATOM 1348 CA ARG A 85 24.656 47.312 36.001 1.00 0.00 C ATOM 1349 C ARG A 85 23.146 46.993 36.032 1.00 0.00 C ATOM 1350 O ARG A 85 22.385 47.505 35.204 1.00 0.00 O ATOM 1351 CB ARG A 85 25.110 47.856 34.630 1.00 0.00 C ATOM 1352 CG ARG A 85 26.624 48.083 34.467 1.00 0.00 C ATOM 1353 CD ARG A 85 26.870 48.794 33.131 1.00 0.00 C ATOM 1354 NE ARG A 85 28.226 48.549 32.606 1.00 0.00 N ATOM 1355 CZ ARG A 85 28.565 48.620 31.334 1.00 0.00 C ATOM 1356 NH1 ARG A 85 27.771 49.087 30.414 1.00 0.00 N ATOM 1357 NH2 ARG A 85 29.718 48.195 30.920 1.00 0.00 N ATOM 0 H ARG A 85 26.129 46.491 37.239 1.00 0.00 H new ATOM 0 HA ARG A 85 24.773 48.101 36.744 1.00 0.00 H new ATOM 0 HB2 ARG A 85 24.781 47.161 33.857 1.00 0.00 H new ATOM 0 HB3 ARG A 85 24.598 48.801 34.448 1.00 0.00 H new ATOM 0 HG2 ARG A 85 27.008 48.684 35.292 1.00 0.00 H new ATOM 0 HG3 ARG A 85 27.154 47.131 34.492 1.00 0.00 H new ATOM 0 HD2 ARG A 85 26.134 48.456 32.401 1.00 0.00 H new ATOM 0 HD3 ARG A 85 26.721 49.866 33.260 1.00 0.00 H new ATOM 0 HE ARG A 85 28.955 48.307 33.276 1.00 0.00 H new ATOM 0 HH11 ARG A 85 26.840 49.419 30.665 1.00 0.00 H new ATOM 0 HH12 ARG A 85 28.080 49.121 29.443 1.00 0.00 H new ATOM 0 HH21 ARG A 85 30.383 47.796 31.583 1.00 0.00 H new ATOM 0 HH22 ARG A 85 29.960 48.259 29.931 1.00 0.00 H new ATOM 1371 N GLU A 86 22.707 46.149 36.971 1.00 0.00 N ATOM 1372 CA GLU A 86 21.284 45.811 37.200 1.00 0.00 C ATOM 1373 C GLU A 86 20.410 47.013 37.634 1.00 0.00 C ATOM 1374 O GLU A 86 19.202 47.004 37.306 1.00 0.00 O ATOM 1375 CB GLU A 86 21.156 44.627 38.177 1.00 0.00 C ATOM 1376 CG GLU A 86 21.615 44.906 39.622 1.00 0.00 C ATOM 1377 CD GLU A 86 21.275 43.739 40.582 1.00 0.00 C ATOM 1378 OE1 GLU A 86 20.090 43.321 40.658 1.00 0.00 O ATOM 1379 OE2 GLU A 86 22.181 43.254 41.303 1.00 0.00 O ATOM 1380 OXT GLU A 86 20.926 47.955 38.280 1.00 0.00 O ATOM 0 H GLU A 86 23.338 45.667 37.611 1.00 0.00 H new ATOM 0 HA GLU A 86 20.884 45.510 36.232 1.00 0.00 H new ATOM 0 HB2 GLU A 86 20.114 44.309 38.200 1.00 0.00 H new ATOM 0 HB3 GLU A 86 21.736 43.791 37.785 1.00 0.00 H new ATOM 0 HG2 GLU A 86 22.691 45.080 39.632 1.00 0.00 H new ATOM 0 HG3 GLU A 86 21.141 45.819 39.982 1.00 0.00 H new TER 1387 GLU A 86 ATOM 1388 O5' A B 101 23.525 23.369 43.118 1.00 0.00 O ATOM 1389 C5' A B 101 24.856 23.798 42.855 1.00 0.00 C ATOM 1390 C4' A B 101 24.889 24.859 41.743 1.00 0.00 C ATOM 1391 O4' A B 101 24.201 26.057 42.118 1.00 0.00 O ATOM 1392 C3' A B 101 26.307 25.298 41.399 1.00 0.00 C ATOM 1393 O3' A B 101 27.013 24.373 40.590 1.00 0.00 O ATOM 1394 C2' A B 101 26.036 26.667 40.756 1.00 0.00 C ATOM 1395 O2' A B 101 25.441 26.617 39.454 1.00 0.00 O ATOM 1396 C1' A B 101 24.972 27.196 41.730 1.00 0.00 C ATOM 1397 N9 A B 101 25.533 27.849 42.947 1.00 0.00 N ATOM 1398 C8 A B 101 26.837 27.950 43.382 1.00 0.00 C ATOM 1399 N7 A B 101 26.986 28.593 44.512 1.00 0.00 N ATOM 1400 C5 A B 101 25.674 28.970 44.838 1.00 0.00 C ATOM 1401 C6 A B 101 25.071 29.692 45.902 1.00 0.00 C ATOM 1402 N6 A B 101 25.714 30.212 46.932 1.00 0.00 N ATOM 1403 N1 A B 101 23.755 29.905 45.940 1.00 0.00 N ATOM 1404 C2 A B 101 23.025 29.422 44.942 1.00 0.00 C ATOM 1405 N3 A B 101 23.437 28.730 43.882 1.00 0.00 N ATOM 1406 C4 A B 101 24.788 28.531 43.888 1.00 0.00 C ATOM 0 H5' A B 101 25.466 22.943 42.563 1.00 0.00 H new ATOM 0 H5'' A B 101 25.295 24.207 43.765 1.00 0.00 H new ATOM 0 H4' A B 101 24.410 24.373 40.893 1.00 0.00 H new ATOM 0 H3' A B 101 26.986 25.354 42.250 1.00 0.00 H new ATOM 0 H2' A B 101 26.953 27.239 40.615 1.00 0.00 H new ATOM 0 HO2' A B 101 25.303 27.529 39.122 1.00 0.00 H new ATOM 0 HO5' A B 101 23.533 22.693 43.828 1.00 0.00 H new ATOM 0 H1' A B 101 24.389 27.970 41.230 1.00 0.00 H new ATOM 0 H8 A B 101 27.669 27.532 42.834 1.00 0.00 H new ATOM 0 H61 A B 101 25.198 30.717 47.653 1.00 0.00 H new ATOM 0 H62 A B 101 26.726 30.109 47.006 1.00 0.00 H new ATOM 0 H2 A B 101 21.964 29.615 44.997 1.00 0.00 H new ATOM 1419 P C B 102 28.611 24.237 40.696 1.00 0.00 P ATOM 1420 OP1 C B 102 28.911 22.799 40.902 1.00 0.00 O ATOM 1421 OP2 C B 102 29.114 25.215 41.690 1.00 0.00 O ATOM 1422 O5' C B 102 29.180 24.656 39.253 1.00 0.00 O ATOM 1423 C5' C B 102 29.156 25.994 38.793 1.00 0.00 C ATOM 1424 C4' C B 102 30.553 26.479 38.364 1.00 0.00 C ATOM 1425 O4' C B 102 30.528 27.882 38.117 1.00 0.00 O ATOM 1426 C3' C B 102 31.635 26.315 39.434 1.00 0.00 C ATOM 1427 O3' C B 102 32.910 26.342 38.785 1.00 0.00 O ATOM 1428 C2' C B 102 31.282 27.525 40.323 1.00 0.00 C ATOM 1429 O2' C B 102 32.333 27.971 41.174 1.00 0.00 O ATOM 1430 C1' C B 102 30.792 28.598 39.325 1.00 0.00 C ATOM 1431 N1 C B 102 29.563 29.331 39.795 1.00 0.00 N ATOM 1432 C2 C B 102 29.576 30.009 41.027 1.00 0.00 C ATOM 1433 O2 C B 102 30.597 30.110 41.713 1.00 0.00 O ATOM 1434 N3 C B 102 28.446 30.590 41.511 1.00 0.00 N ATOM 1435 C4 C B 102 27.356 30.564 40.776 1.00 0.00 C ATOM 1436 N4 C B 102 26.294 31.103 41.303 1.00 0.00 N ATOM 1437 C5 C B 102 27.306 29.993 39.480 1.00 0.00 C ATOM 1438 C6 C B 102 28.428 29.398 39.014 1.00 0.00 C ATOM 0 H5' C B 102 28.773 26.642 39.581 1.00 0.00 H new ATOM 0 H5'' C B 102 28.469 26.076 37.951 1.00 0.00 H new ATOM 0 H4' C B 102 30.789 25.869 37.492 1.00 0.00 H new ATOM 0 H3' C B 102 31.680 25.395 40.016 1.00 0.00 H new ATOM 0 H2' C B 102 30.519 27.263 41.056 1.00 0.00 H new ATOM 0 HO2' C B 102 32.065 28.804 41.616 1.00 0.00 H new ATOM 0 H1' C B 102 31.544 29.378 39.201 1.00 0.00 H new ATOM 0 H41 C B 102 25.417 31.115 40.783 1.00 0.00 H new ATOM 0 H42 C B 102 26.340 31.513 42.236 1.00 0.00 H new ATOM 0 H5 C B 102 26.405 30.031 38.886 1.00 0.00 H new ATOM 0 H6 C B 102 28.435 28.972 38.022 1.00 0.00 H new ATOM 1450 P A B 103 34.243 25.803 39.499 1.00 0.00 P ATOM 1451 OP1 A B 103 35.061 25.101 38.485 1.00 0.00 O ATOM 1452 OP2 A B 103 33.865 25.075 40.737 1.00 0.00 O ATOM 1453 O5' A B 103 35.051 27.100 40.015 1.00 0.00 O ATOM 1454 C5' A B 103 36.147 27.674 39.309 1.00 0.00 C ATOM 1455 C4' A B 103 35.788 28.295 37.950 1.00 0.00 C ATOM 1456 O4' A B 103 34.728 29.235 38.031 1.00 0.00 O ATOM 1457 C3' A B 103 36.945 29.132 37.414 1.00 0.00 C ATOM 1458 O3' A B 103 38.049 28.353 36.962 1.00 0.00 O ATOM 1459 C2' A B 103 36.227 29.966 36.342 1.00 0.00 C ATOM 1460 O2' A B 103 36.215 29.336 35.063 1.00 0.00 O ATOM 1461 C1' A B 103 34.782 30.067 36.878 1.00 0.00 C ATOM 1462 N9 A B 103 34.418 31.493 37.134 1.00 0.00 N ATOM 1463 C8 A B 103 34.695 32.568 36.318 1.00 0.00 C ATOM 1464 N7 A B 103 34.436 33.738 36.836 1.00 0.00 N ATOM 1465 C5 A B 103 33.909 33.409 38.096 1.00 0.00 C ATOM 1466 C6 A B 103 33.438 34.159 39.203 1.00 0.00 C ATOM 1467 N6 A B 103 33.455 35.476 39.299 1.00 0.00 N ATOM 1468 N1 A B 103 32.947 33.566 40.291 1.00 0.00 N ATOM 1469 C2 A B 103 32.918 32.242 40.306 1.00 0.00 C ATOM 1470 N3 A B 103 33.337 31.405 39.362 1.00 0.00 N ATOM 1471 C4 A B 103 33.839 32.047 38.265 1.00 0.00 C ATOM 0 H5' A B 103 36.902 26.904 39.152 1.00 0.00 H new ATOM 0 H5'' A B 103 36.601 28.443 39.935 1.00 0.00 H new ATOM 0 H4' A B 103 35.528 27.440 37.325 1.00 0.00 H new ATOM 0 H3' A B 103 37.450 29.750 38.156 1.00 0.00 H new ATOM 0 H2' A B 103 36.724 30.924 36.188 1.00 0.00 H new ATOM 0 HO2' A B 103 35.289 29.218 34.765 1.00 0.00 H new ATOM 0 H1' A B 103 34.040 29.722 36.158 1.00 0.00 H new ATOM 0 H8 A B 103 35.097 32.451 35.322 1.00 0.00 H new ATOM 0 H61 A B 103 33.093 35.931 40.137 1.00 0.00 H new ATOM 0 H62 A B 103 33.830 36.038 38.535 1.00 0.00 H new ATOM 0 H2 A B 103 32.503 31.787 41.193 1.00 0.00 H new ATOM 1483 P U B 104 39.567 28.880 37.066 1.00 0.00 P ATOM 1484 OP1 U B 104 40.394 27.694 37.389 1.00 0.00 O ATOM 1485 OP2 U B 104 39.628 30.052 37.965 1.00 0.00 O ATOM 1486 O5' U B 104 40.023 29.323 35.582 1.00 0.00 O ATOM 1487 C5' U B 104 39.453 30.407 34.861 1.00 0.00 C ATOM 1488 C4' U B 104 40.353 31.653 34.808 1.00 0.00 C ATOM 1489 O4' U B 104 40.089 32.347 33.587 1.00 0.00 O ATOM 1490 C3' U B 104 40.162 32.670 35.956 1.00 0.00 C ATOM 1491 O3' U B 104 41.477 33.213 36.152 1.00 0.00 O ATOM 1492 C2' U B 104 39.012 33.479 35.309 1.00 0.00 C ATOM 1493 O2' U B 104 38.617 34.699 35.917 1.00 0.00 O ATOM 1494 C1' U B 104 39.485 33.603 33.863 1.00 0.00 C ATOM 1495 N1 U B 104 38.351 33.900 32.944 1.00 0.00 N ATOM 1496 C2 U B 104 38.021 35.243 32.707 1.00 0.00 C ATOM 1497 O2 U B 104 38.728 36.186 33.060 1.00 0.00 O ATOM 1498 N3 U B 104 36.843 35.485 32.029 1.00 0.00 N ATOM 1499 C4 U B 104 35.997 34.525 31.521 1.00 0.00 C ATOM 1500 O4 U B 104 34.940 34.836 30.988 1.00 0.00 O ATOM 1501 C5 U B 104 36.467 33.169 31.691 1.00 0.00 C ATOM 1502 C6 U B 104 37.595 32.885 32.395 1.00 0.00 C ATOM 0 H5' U B 104 38.501 30.676 35.319 1.00 0.00 H new ATOM 0 H5'' U B 104 39.237 30.082 33.843 1.00 0.00 H new ATOM 0 H4' U B 104 41.371 31.273 34.896 1.00 0.00 H new ATOM 0 H3' U B 104 39.867 32.428 36.977 1.00 0.00 H new ATOM 0 H2' U B 104 38.059 32.965 35.433 1.00 0.00 H new ATOM 0 HO2' U B 104 39.164 34.859 36.714 1.00 0.00 H new ATOM 0 H1' U B 104 40.181 34.429 33.716 1.00 0.00 H new ATOM 0 H3 U B 104 36.576 36.460 31.893 1.00 0.00 H new ATOM 0 H5 U B 104 35.907 32.359 31.247 1.00 0.00 H new ATOM 0 H6 U B 104 37.901 31.858 32.525 1.00 0.00 H new ATOM 1513 P C B 105 41.842 34.720 36.561 1.00 0.00 P ATOM 1514 OP1 C B 105 43.172 34.721 37.219 1.00 0.00 O ATOM 1515 OP2 C B 105 40.698 35.329 37.278 1.00 0.00 O ATOM 1516 O5' C B 105 41.960 35.405 35.104 1.00 0.00 O ATOM 1517 C5' C B 105 43.190 35.554 34.387 1.00 0.00 C ATOM 1518 C4' C B 105 44.085 34.302 34.259 1.00 0.00 C ATOM 1519 O4' C B 105 43.414 33.117 33.861 1.00 0.00 O ATOM 1520 C3' C B 105 45.128 34.447 33.153 1.00 0.00 C ATOM 1521 O3' C B 105 46.101 35.459 33.394 1.00 0.00 O ATOM 1522 C2' C B 105 45.655 33.002 33.079 1.00 0.00 C ATOM 1523 O2' C B 105 46.657 32.722 34.058 1.00 0.00 O ATOM 1524 C1' C B 105 44.398 32.178 33.423 1.00 0.00 C ATOM 1525 N1 C B 105 43.910 31.335 32.282 1.00 0.00 N ATOM 1526 C2 C B 105 44.703 30.263 31.833 1.00 0.00 C ATOM 1527 O2 C B 105 45.861 30.102 32.223 1.00 0.00 O ATOM 1528 N3 C B 105 44.200 29.335 30.975 1.00 0.00 N ATOM 1529 C4 C B 105 42.939 29.439 30.604 1.00 0.00 C ATOM 1530 N4 C B 105 42.487 28.463 29.868 1.00 0.00 N ATOM 1531 C5 C B 105 42.101 30.518 30.984 1.00 0.00 C ATOM 1532 C6 C B 105 42.622 31.452 31.820 1.00 0.00 C ATOM 0 H5' C B 105 43.772 36.338 34.872 1.00 0.00 H new ATOM 0 H5'' C B 105 42.956 35.907 33.383 1.00 0.00 H new ATOM 0 H4' C B 105 44.490 34.225 35.268 1.00 0.00 H new ATOM 0 H3' C B 105 44.742 34.811 32.201 1.00 0.00 H new ATOM 0 H2' C B 105 46.115 32.792 32.114 1.00 0.00 H new ATOM 0 HO2' C B 105 47.127 33.550 34.291 1.00 0.00 H new ATOM 0 H1' C B 105 44.627 31.452 34.203 1.00 0.00 H new ATOM 0 H41 C B 105 41.520 28.475 29.543 1.00 0.00 H new ATOM 0 H42 C B 105 43.100 27.687 29.617 1.00 0.00 H new ATOM 0 H5 C B 105 41.086 30.594 30.622 1.00 0.00 H new ATOM 0 H6 C B 105 42.018 32.294 32.124 1.00 0.00 H new ATOM 1544 P A B 106 47.085 35.969 32.226 1.00 0.00 P ATOM 1545 OP1 A B 106 47.182 34.923 31.182 1.00 0.00 O ATOM 1546 OP2 A B 106 48.330 36.440 32.882 1.00 0.00 O ATOM 1547 O5' A B 106 46.351 37.287 31.621 1.00 0.00 O ATOM 1548 C5' A B 106 45.149 37.237 30.857 1.00 0.00 C ATOM 1549 C4' A B 106 45.349 37.321 29.331 1.00 0.00 C ATOM 1550 O4' A B 106 46.282 36.375 28.814 1.00 0.00 O ATOM 1551 C3' A B 106 44.019 37.098 28.595 1.00 0.00 C ATOM 1552 O3' A B 106 43.296 38.298 28.359 1.00 0.00 O ATOM 1553 C2' A B 106 44.458 36.431 27.284 1.00 0.00 C ATOM 1554 O2' A B 106 44.811 37.392 26.286 1.00 0.00 O ATOM 1555 C1' A B 106 45.713 35.665 27.721 1.00 0.00 C ATOM 1556 N9 A B 106 45.423 34.262 28.127 1.00 0.00 N ATOM 1557 C8 A B 106 44.732 33.791 29.218 1.00 0.00 C ATOM 1558 N7 A B 106 44.669 32.487 29.308 1.00 0.00 N ATOM 1559 C5 A B 106 45.413 32.061 28.194 1.00 0.00 C ATOM 1560 C6 A B 106 45.808 30.802 27.669 1.00 0.00 C ATOM 1561 N6 A B 106 45.554 29.625 28.210 1.00 0.00 N ATOM 1562 N1 A B 106 46.520 30.714 26.546 1.00 0.00 N ATOM 1563 C2 A B 106 46.860 31.843 25.936 1.00 0.00 C ATOM 1564 N3 A B 106 46.585 33.091 26.310 1.00 0.00 N ATOM 1565 C4 A B 106 45.855 33.134 27.463 1.00 0.00 C ATOM 0 H5' A B 106 44.502 38.056 31.170 1.00 0.00 H new ATOM 0 H5'' A B 106 44.625 36.310 31.090 1.00 0.00 H new ATOM 0 H4' A B 106 45.745 38.322 29.159 1.00 0.00 H new ATOM 0 H3' A B 106 43.323 36.497 29.181 1.00 0.00 H new ATOM 0 H2' A B 106 43.673 35.819 26.840 1.00 0.00 H new ATOM 0 HO2' A B 106 44.471 38.274 26.546 1.00 0.00 H new ATOM 0 HO3' A B 106 42.462 38.090 27.887 1.00 0.00 H new ATOM 0 H1' A B 106 46.398 35.602 26.876 1.00 0.00 H new ATOM 0 H8 A B 106 44.276 34.447 29.945 1.00 0.00 H new ATOM 0 H61 A B 106 45.882 28.773 27.755 1.00 0.00 H new ATOM 0 H62 A B 106 45.030 29.568 29.083 1.00 0.00 H new ATOM 0 H2 A B 106 47.430 31.736 25.025 1.00 0.00 H new TER 1578 A B 106