USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl 145:sc= -0.105 (180deg=-0.792) USER MOD Set 1.2: B 101 A O2' : rot -28:sc= 1.22 USER MOD Set 1.3: B 102 C O2' : rot -169:sc= 0.549 USER MOD Set 2.1: A 36 LYS NZ :NH3+ -165:sc= 1.75 (180deg=1.01) USER MOD Set 2.2: B 104 U O2' : rot -69:sc= 2.16 USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 6 SER OG : rot 84:sc= 1.32 USER MOD Single : A 8 SER OG : rot -172:sc= 1.05 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 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1.2) 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= 0 USER MOD Single : A 26 ASN : amide:sc= 0.664 K(o=0.66,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= 1.09 (180deg=0.902) 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) USER MOD Single : A 37 CYS SG : rot 27:sc= -0.074 USER MOD Single : A 40 LYS NZ :NH3+ -173:sc= 1.46 (180deg=1.28) 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+ -177:sc= 0 (180deg=-0.0198) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.15) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.0235 USER MOD Single : A 74 ASN : amide:sc= 0.918 K(o=0.92,f=-0.11) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 101 A O5' : rot 180:sc= 0 USER MOD Single : B 103 A O2' : rot 24:sc= 0.0129 USER MOD Single : B 105 C O2' : rot -17:sc= 0.0658 USER MOD Single : B 106 A O2' : rot -135:sc= 0.0103 USER MOD Single : B 106 A O3' : rot 141:sc= 0.105 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 19.925 29.431 47.502 1.00 0.00 N ATOM 2 CA GLY A -2 21.004 28.781 48.281 1.00 0.00 C ATOM 3 C GLY A -2 22.257 29.641 48.299 1.00 0.00 C ATOM 4 O GLY A -2 22.223 30.769 48.795 1.00 0.00 O ATOM 0 H1 GLY A -2 19.081 28.824 47.505 1.00 0.00 H new ATOM 0 H2 GLY A -2 19.692 30.350 47.931 1.00 0.00 H new ATOM 0 H3 GLY A -2 20.243 29.577 46.523 1.00 0.00 H new ATOM 0 HA2 GLY A -2 20.665 28.605 49.302 1.00 0.00 H new ATOM 0 HA3 GLY A -2 21.233 27.807 47.849 1.00 0.00 H new ATOM 10 N SER A -1 23.367 29.126 47.760 1.00 0.00 N ATOM 11 CA SER A -1 24.660 29.830 47.678 1.00 0.00 C ATOM 12 C SER A -1 24.595 31.108 46.829 1.00 0.00 C ATOM 13 O SER A -1 23.801 31.209 45.890 1.00 0.00 O ATOM 14 CB SER A -1 25.735 28.901 47.097 1.00 0.00 C ATOM 15 OG SER A -1 25.814 27.695 47.847 1.00 0.00 O ATOM 0 H SER A -1 23.397 28.189 47.359 1.00 0.00 H new ATOM 0 HA SER A -1 24.915 30.121 48.697 1.00 0.00 H new ATOM 0 HB2 SER A -1 25.503 28.674 46.056 1.00 0.00 H new ATOM 0 HB3 SER A -1 26.702 29.405 47.105 1.00 0.00 H new ATOM 0 HG SER A -1 26.503 27.114 47.461 1.00 0.00 H new ATOM 21 N HIS A 0 25.459 32.081 47.134 1.00 0.00 N ATOM 22 CA HIS A 0 25.569 33.370 46.436 1.00 0.00 C ATOM 23 C HIS A 0 27.019 33.884 46.432 1.00 0.00 C ATOM 24 O HIS A 0 27.844 33.461 47.247 1.00 0.00 O ATOM 25 CB HIS A 0 24.606 34.390 47.071 1.00 0.00 C ATOM 26 CG HIS A 0 24.935 34.748 48.501 1.00 0.00 C ATOM 27 ND1 HIS A 0 25.855 35.723 48.906 1.00 0.00 N ATOM 28 CD2 HIS A 0 24.421 34.142 49.611 1.00 0.00 C ATOM 29 CE1 HIS A 0 25.872 35.682 50.249 1.00 0.00 C ATOM 30 NE2 HIS A 0 25.020 34.745 50.699 1.00 0.00 N ATOM 0 H HIS A 0 26.126 31.992 47.901 1.00 0.00 H new ATOM 0 HA HIS A 0 25.283 33.229 45.394 1.00 0.00 H new ATOM 0 HB2 HIS A 0 24.611 35.300 46.471 1.00 0.00 H new ATOM 0 HB3 HIS A 0 23.593 33.989 47.033 1.00 0.00 H new ATOM 0 HD2 HIS A 0 23.690 33.347 49.634 1.00 0.00 H new ATOM 0 HE1 HIS A 0 26.483 36.312 50.878 1.00 0.00 H new ATOM 0 HE2 HIS A 0 24.846 34.518 51.678 1.00 0.00 H new ATOM 38 N MET A 1 27.337 34.770 45.483 1.00 0.00 N ATOM 39 CA MET A 1 28.692 35.288 45.227 1.00 0.00 C ATOM 40 C MET A 1 28.665 36.579 44.388 1.00 0.00 C ATOM 41 O MET A 1 27.624 36.977 43.858 1.00 0.00 O ATOM 42 CB MET A 1 29.538 34.195 44.544 1.00 0.00 C ATOM 43 CG MET A 1 28.955 33.691 43.216 1.00 0.00 C ATOM 44 SD MET A 1 29.785 32.230 42.532 1.00 0.00 S ATOM 45 CE MET A 1 29.385 30.983 43.791 1.00 0.00 C ATOM 0 H MET A 1 26.639 35.161 44.850 1.00 0.00 H new ATOM 0 HA MET A 1 29.148 35.549 46.182 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.540 34.585 44.364 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.642 33.351 45.226 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.900 33.458 43.363 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.005 34.497 42.484 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.243 30.015 43.312 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.202 30.916 44.509 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.470 31.269 44.309 1.00 0.00 H new ATOM 55 N VAL A 2 29.830 37.226 44.262 1.00 0.00 N ATOM 56 CA VAL A 2 30.066 38.461 43.489 1.00 0.00 C ATOM 57 C VAL A 2 31.168 38.242 42.442 1.00 0.00 C ATOM 58 O VAL A 2 31.999 37.343 42.591 1.00 0.00 O ATOM 59 CB VAL A 2 30.358 39.635 44.450 1.00 0.00 C ATOM 60 CG1 VAL A 2 31.690 39.487 45.201 1.00 0.00 C ATOM 61 CG2 VAL A 2 30.352 40.999 43.749 1.00 0.00 C ATOM 0 H VAL A 2 30.678 36.889 44.717 1.00 0.00 H new ATOM 0 HA VAL A 2 29.168 38.725 42.931 1.00 0.00 H new ATOM 0 HB VAL A 2 29.538 39.595 45.168 1.00 0.00 H new ATOM 0 HG11 VAL A 2 31.834 40.344 45.859 1.00 0.00 H new ATOM 0 HG12 VAL A 2 31.673 38.573 45.795 1.00 0.00 H new ATOM 0 HG13 VAL A 2 32.509 39.439 44.483 1.00 0.00 H new ATOM 0 HG21 VAL A 2 30.563 41.783 44.476 1.00 0.00 H new ATOM 0 HG22 VAL A 2 31.115 41.011 42.970 1.00 0.00 H new ATOM 0 HG23 VAL A 2 29.374 41.174 43.301 1.00 0.00 H new ATOM 71 N ILE A 3 31.177 39.045 41.372 1.00 0.00 N ATOM 72 CA ILE A 3 32.212 39.027 40.322 1.00 0.00 C ATOM 73 C ILE A 3 33.619 39.340 40.870 1.00 0.00 C ATOM 74 O ILE A 3 33.774 40.086 41.842 1.00 0.00 O ATOM 75 CB ILE A 3 31.845 39.963 39.146 1.00 0.00 C ATOM 76 CG1 ILE A 3 31.666 41.436 39.584 1.00 0.00 C ATOM 77 CG2 ILE A 3 30.601 39.419 38.424 1.00 0.00 C ATOM 78 CD1 ILE A 3 31.495 42.408 38.410 1.00 0.00 C ATOM 0 H ILE A 3 30.451 39.742 41.205 1.00 0.00 H new ATOM 0 HA ILE A 3 32.245 38.007 39.940 1.00 0.00 H new ATOM 0 HB ILE A 3 32.682 39.971 38.448 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.795 41.510 40.236 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.532 41.739 40.173 1.00 0.00 H new ATOM 0 HG21 ILE A 3 30.343 40.079 37.596 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.810 38.420 38.041 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.766 39.371 39.123 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.375 43.422 38.792 1.00 0.00 H new ATOM 0 HD12 ILE A 3 32.376 42.364 37.770 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.613 42.130 37.833 1.00 0.00 H new ATOM 90 N ARG A 4 34.649 38.770 40.227 1.00 0.00 N ATOM 91 CA ARG A 4 36.071 38.892 40.602 1.00 0.00 C ATOM 92 C ARG A 4 36.949 39.012 39.355 1.00 0.00 C ATOM 93 O ARG A 4 36.752 38.274 38.390 1.00 0.00 O ATOM 94 CB ARG A 4 36.514 37.683 41.451 1.00 0.00 C ATOM 95 CG ARG A 4 35.738 37.548 42.769 1.00 0.00 C ATOM 96 CD ARG A 4 36.288 36.404 43.629 1.00 0.00 C ATOM 97 NE ARG A 4 35.481 36.211 44.850 1.00 0.00 N ATOM 98 CZ ARG A 4 35.545 36.899 45.977 1.00 0.00 C ATOM 99 NH1 ARG A 4 36.388 37.881 46.150 1.00 0.00 N ATOM 100 NH2 ARG A 4 34.753 36.612 46.969 1.00 0.00 N ATOM 0 H ARG A 4 34.512 38.189 39.400 1.00 0.00 H new ATOM 0 HA ARG A 4 36.189 39.797 41.198 1.00 0.00 H new ATOM 0 HB2 ARG A 4 36.386 36.772 40.867 1.00 0.00 H new ATOM 0 HB3 ARG A 4 37.578 37.773 41.672 1.00 0.00 H new ATOM 0 HG2 ARG A 4 35.797 38.484 43.325 1.00 0.00 H new ATOM 0 HG3 ARG A 4 34.684 37.370 42.556 1.00 0.00 H new ATOM 0 HD2 ARG A 4 36.297 35.482 43.048 1.00 0.00 H new ATOM 0 HD3 ARG A 4 37.321 36.618 43.904 1.00 0.00 H new ATOM 0 HE ARG A 4 34.793 35.458 44.821 1.00 0.00 H new ATOM 0 HH11 ARG A 4 37.028 38.142 45.400 1.00 0.00 H new ATOM 0 HH12 ARG A 4 36.406 38.388 47.035 1.00 0.00 H new ATOM 0 HH21 ARG A 4 34.078 35.853 46.879 1.00 0.00 H new ATOM 0 HH22 ARG A 4 34.807 37.147 47.836 1.00 0.00 H new ATOM 114 N GLU A 5 37.906 39.942 39.380 1.00 0.00 N ATOM 115 CA GLU A 5 38.875 40.212 38.295 1.00 0.00 C ATOM 116 C GLU A 5 38.221 40.459 36.907 1.00 0.00 C ATOM 117 O GLU A 5 38.802 40.164 35.860 1.00 0.00 O ATOM 118 CB GLU A 5 39.971 39.118 38.313 1.00 0.00 C ATOM 119 CG GLU A 5 41.322 39.504 37.676 1.00 0.00 C ATOM 120 CD GLU A 5 41.964 40.766 38.287 1.00 0.00 C ATOM 121 OE1 GLU A 5 41.890 40.967 39.524 1.00 0.00 O ATOM 122 OE2 GLU A 5 42.569 41.566 37.531 1.00 0.00 O ATOM 0 H GLU A 5 38.039 40.556 40.184 1.00 0.00 H new ATOM 0 HA GLU A 5 39.358 41.170 38.489 1.00 0.00 H new ATOM 0 HB2 GLU A 5 40.150 38.828 39.348 1.00 0.00 H new ATOM 0 HB3 GLU A 5 39.587 38.238 37.797 1.00 0.00 H new ATOM 0 HG2 GLU A 5 42.014 38.669 37.782 1.00 0.00 H new ATOM 0 HG3 GLU A 5 41.176 39.664 36.608 1.00 0.00 H new ATOM 129 N SER A 6 36.984 40.967 36.897 1.00 0.00 N ATOM 130 CA SER A 6 36.113 41.101 35.714 1.00 0.00 C ATOM 131 C SER A 6 35.020 42.169 35.929 1.00 0.00 C ATOM 132 O SER A 6 34.952 42.794 36.992 1.00 0.00 O ATOM 133 CB SER A 6 35.499 39.726 35.399 1.00 0.00 C ATOM 134 OG SER A 6 34.820 39.730 34.155 1.00 0.00 O ATOM 0 H SER A 6 36.539 41.312 37.747 1.00 0.00 H new ATOM 0 HA SER A 6 36.708 41.438 34.866 1.00 0.00 H new ATOM 0 HB2 SER A 6 36.285 38.971 35.383 1.00 0.00 H new ATOM 0 HB3 SER A 6 34.805 39.447 36.192 1.00 0.00 H new ATOM 0 HG SER A 6 35.462 39.572 33.431 1.00 0.00 H new ATOM 140 N VAL A 7 34.161 42.385 34.926 1.00 0.00 N ATOM 141 CA VAL A 7 33.062 43.374 34.921 1.00 0.00 C ATOM 142 C VAL A 7 31.724 42.808 34.406 1.00 0.00 C ATOM 143 O VAL A 7 30.664 43.232 34.865 1.00 0.00 O ATOM 144 CB VAL A 7 33.502 44.641 34.156 1.00 0.00 C ATOM 145 CG1 VAL A 7 33.707 44.406 32.653 1.00 0.00 C ATOM 146 CG2 VAL A 7 32.515 45.801 34.335 1.00 0.00 C ATOM 0 H VAL A 7 34.210 41.856 34.055 1.00 0.00 H new ATOM 0 HA VAL A 7 32.861 43.644 35.958 1.00 0.00 H new ATOM 0 HB VAL A 7 34.463 44.903 34.599 1.00 0.00 H new ATOM 0 HG11 VAL A 7 34.015 45.337 32.178 1.00 0.00 H new ATOM 0 HG12 VAL A 7 34.478 43.650 32.505 1.00 0.00 H new ATOM 0 HG13 VAL A 7 32.773 44.063 32.208 1.00 0.00 H new ATOM 0 HG21 VAL A 7 32.869 46.669 33.778 1.00 0.00 H new ATOM 0 HG22 VAL A 7 31.534 45.505 33.962 1.00 0.00 H new ATOM 0 HG23 VAL A 7 32.440 46.055 35.392 1.00 0.00 H new ATOM 156 N SER A 8 31.754 41.824 33.501 1.00 0.00 N ATOM 157 CA SER A 8 30.568 41.152 32.946 1.00 0.00 C ATOM 158 C SER A 8 30.943 39.763 32.417 1.00 0.00 C ATOM 159 O SER A 8 31.854 39.632 31.598 1.00 0.00 O ATOM 160 CB SER A 8 29.958 42.010 31.826 1.00 0.00 C ATOM 161 OG SER A 8 28.866 41.348 31.228 1.00 0.00 O ATOM 0 H SER A 8 32.628 41.461 33.122 1.00 0.00 H new ATOM 0 HA SER A 8 29.827 41.029 33.736 1.00 0.00 H new ATOM 0 HB2 SER A 8 29.631 42.967 32.232 1.00 0.00 H new ATOM 0 HB3 SER A 8 30.716 42.225 31.073 1.00 0.00 H new ATOM 0 HG SER A 8 28.574 41.848 30.437 1.00 0.00 H new ATOM 167 N ARG A 9 30.277 38.707 32.905 1.00 0.00 N ATOM 168 CA ARG A 9 30.620 37.308 32.595 1.00 0.00 C ATOM 169 C ARG A 9 29.409 36.371 32.673 1.00 0.00 C ATOM 170 O ARG A 9 28.644 36.426 33.629 1.00 0.00 O ATOM 171 CB ARG A 9 31.745 36.858 33.553 1.00 0.00 C ATOM 172 CG ARG A 9 32.354 35.510 33.142 1.00 0.00 C ATOM 173 CD ARG A 9 33.414 34.975 34.113 1.00 0.00 C ATOM 174 NE ARG A 9 32.993 34.891 35.527 1.00 0.00 N ATOM 175 CZ ARG A 9 31.941 34.322 36.089 1.00 0.00 C ATOM 176 NH1 ARG A 9 30.981 33.718 35.452 1.00 0.00 N ATOM 177 NH2 ARG A 9 31.861 34.355 37.380 1.00 0.00 N ATOM 0 H ARG A 9 29.478 38.799 33.532 1.00 0.00 H new ATOM 0 HA ARG A 9 30.965 37.253 31.562 1.00 0.00 H new ATOM 0 HB2 ARG A 9 32.527 37.617 33.573 1.00 0.00 H new ATOM 0 HB3 ARG A 9 31.348 36.782 34.565 1.00 0.00 H new ATOM 0 HG2 ARG A 9 31.554 34.775 33.054 1.00 0.00 H new ATOM 0 HG3 ARG A 9 32.802 35.613 32.154 1.00 0.00 H new ATOM 0 HD2 ARG A 9 33.717 33.982 33.782 1.00 0.00 H new ATOM 0 HD3 ARG A 9 34.295 35.614 34.051 1.00 0.00 H new ATOM 0 HE ARG A 9 33.624 35.352 36.183 1.00 0.00 H new ATOM 0 HH11 ARG A 9 31.004 33.656 34.434 1.00 0.00 H new ATOM 0 HH12 ARG A 9 30.205 33.306 35.970 1.00 0.00 H new ATOM 0 HH21 ARG A 9 32.594 34.809 37.925 1.00 0.00 H new ATOM 0 HH22 ARG A 9 31.065 33.927 37.853 1.00 0.00 H new ATOM 191 N ILE A 10 29.268 35.486 31.689 1.00 0.00 N ATOM 192 CA ILE A 10 28.297 34.374 31.658 1.00 0.00 C ATOM 193 C ILE A 10 28.703 33.253 32.627 1.00 0.00 C ATOM 194 O ILE A 10 29.892 32.980 32.817 1.00 0.00 O ATOM 195 CB ILE A 10 28.179 33.852 30.202 1.00 0.00 C ATOM 196 CG1 ILE A 10 27.382 34.834 29.318 1.00 0.00 C ATOM 197 CG2 ILE A 10 27.607 32.430 30.054 1.00 0.00 C ATOM 198 CD1 ILE A 10 25.871 34.908 29.585 1.00 0.00 C ATOM 0 H ILE A 10 29.849 35.518 30.851 1.00 0.00 H new ATOM 0 HA ILE A 10 27.323 34.735 31.988 1.00 0.00 H new ATOM 0 HB ILE A 10 29.212 33.789 29.859 1.00 0.00 H new ATOM 0 HG12 ILE A 10 27.803 35.831 29.447 1.00 0.00 H new ATOM 0 HG13 ILE A 10 27.533 34.557 28.275 1.00 0.00 H new ATOM 0 HG21 ILE A 10 27.567 32.162 28.998 1.00 0.00 H new ATOM 0 HG22 ILE A 10 28.246 31.724 30.583 1.00 0.00 H new ATOM 0 HG23 ILE A 10 26.602 32.396 30.475 1.00 0.00 H new ATOM 0 HD11 ILE A 10 25.416 35.629 28.906 1.00 0.00 H new ATOM 0 HD12 ILE A 10 25.425 33.927 29.424 1.00 0.00 H new ATOM 0 HD13 ILE A 10 25.698 35.221 30.615 1.00 0.00 H new ATOM 210 N TYR A 11 27.709 32.550 33.174 1.00 0.00 N ATOM 211 CA TYR A 11 27.870 31.235 33.795 1.00 0.00 C ATOM 212 C TYR A 11 26.794 30.251 33.303 1.00 0.00 C ATOM 213 O TYR A 11 25.599 30.562 33.304 1.00 0.00 O ATOM 214 CB TYR A 11 27.862 31.364 35.323 1.00 0.00 C ATOM 215 CG TYR A 11 27.745 30.029 36.034 1.00 0.00 C ATOM 216 CD1 TYR A 11 28.803 29.101 35.974 1.00 0.00 C ATOM 217 CD2 TYR A 11 26.555 29.693 36.705 1.00 0.00 C ATOM 218 CE1 TYR A 11 28.664 27.842 36.584 1.00 0.00 C ATOM 219 CE2 TYR A 11 26.424 28.448 37.345 1.00 0.00 C ATOM 220 CZ TYR A 11 27.483 27.518 37.286 1.00 0.00 C ATOM 221 OH TYR A 11 27.361 26.312 37.904 1.00 0.00 O ATOM 0 H TYR A 11 26.747 32.888 33.198 1.00 0.00 H new ATOM 0 HA TYR A 11 28.836 30.828 33.496 1.00 0.00 H new ATOM 0 HB2 TYR A 11 28.778 31.861 35.644 1.00 0.00 H new ATOM 0 HB3 TYR A 11 27.031 32.002 35.623 1.00 0.00 H new ATOM 0 HD1 TYR A 11 29.718 29.356 35.461 1.00 0.00 H new ATOM 0 HD2 TYR A 11 25.736 30.397 36.729 1.00 0.00 H new ATOM 0 HE1 TYR A 11 29.464 27.120 36.515 1.00 0.00 H new ATOM 0 HE2 TYR A 11 25.517 28.205 37.879 1.00 0.00 H new ATOM 0 HH TYR A 11 26.485 26.255 38.340 1.00 0.00 H new ATOM 231 N VAL A 12 27.225 29.043 32.926 1.00 0.00 N ATOM 232 CA VAL A 12 26.352 27.901 32.612 1.00 0.00 C ATOM 233 C VAL A 12 26.893 26.653 33.316 1.00 0.00 C ATOM 234 O VAL A 12 28.071 26.326 33.165 1.00 0.00 O ATOM 235 CB VAL A 12 26.218 27.653 31.095 1.00 0.00 C ATOM 236 CG1 VAL A 12 25.088 26.664 30.793 1.00 0.00 C ATOM 237 CG2 VAL A 12 25.943 28.926 30.283 1.00 0.00 C ATOM 0 H VAL A 12 28.216 28.824 32.827 1.00 0.00 H new ATOM 0 HA VAL A 12 25.350 28.133 32.973 1.00 0.00 H new ATOM 0 HB VAL A 12 27.186 27.251 30.795 1.00 0.00 H new ATOM 0 HG11 VAL A 12 25.018 26.509 29.716 1.00 0.00 H new ATOM 0 HG12 VAL A 12 25.296 25.713 31.283 1.00 0.00 H new ATOM 0 HG13 VAL A 12 24.145 27.065 31.164 1.00 0.00 H new ATOM 0 HG21 VAL A 12 25.861 28.673 29.226 1.00 0.00 H new ATOM 0 HG22 VAL A 12 25.011 29.379 30.621 1.00 0.00 H new ATOM 0 HG23 VAL A 12 26.761 29.632 30.425 1.00 0.00 H new ATOM 247 N GLY A 13 26.046 25.964 34.082 1.00 0.00 N ATOM 248 CA GLY A 13 26.415 24.841 34.947 1.00 0.00 C ATOM 249 C GLY A 13 25.796 23.503 34.542 1.00 0.00 C ATOM 250 O GLY A 13 24.651 23.438 34.087 1.00 0.00 O ATOM 0 H GLY A 13 25.050 26.179 34.119 1.00 0.00 H new ATOM 0 HA2 GLY A 13 27.500 24.740 34.948 1.00 0.00 H new ATOM 0 HA3 GLY A 13 26.115 25.072 35.969 1.00 0.00 H new ATOM 254 N ASN A 14 26.564 22.429 34.734 1.00 0.00 N ATOM 255 CA ASN A 14 26.248 21.047 34.342 1.00 0.00 C ATOM 256 C ASN A 14 25.966 20.865 32.828 1.00 0.00 C ATOM 257 O ASN A 14 25.289 19.913 32.438 1.00 0.00 O ATOM 258 CB ASN A 14 25.131 20.473 35.242 1.00 0.00 C ATOM 259 CG ASN A 14 25.315 20.752 36.724 1.00 0.00 C ATOM 260 OD1 ASN A 14 26.201 20.223 37.377 1.00 0.00 O ATOM 261 ND2 ASN A 14 24.475 21.577 37.310 1.00 0.00 N ATOM 0 H ASN A 14 27.473 22.500 35.191 1.00 0.00 H new ATOM 0 HA ASN A 14 27.150 20.458 34.508 1.00 0.00 H new ATOM 0 HB2 ASN A 14 24.175 20.887 34.923 1.00 0.00 H new ATOM 0 HB3 ASN A 14 25.078 19.395 35.091 1.00 0.00 H new ATOM 0 HD21 ASN A 14 24.565 21.773 38.307 1.00 0.00 H new ATOM 0 HD22 ASN A 14 23.734 22.021 36.768 1.00 0.00 H new ATOM 268 N LEU A 15 26.430 21.787 31.971 1.00 0.00 N ATOM 269 CA LEU A 15 25.912 21.944 30.605 1.00 0.00 C ATOM 270 C LEU A 15 26.225 20.756 29.661 1.00 0.00 C ATOM 271 O LEU A 15 27.307 20.169 29.756 1.00 0.00 O ATOM 272 CB LEU A 15 26.325 23.310 30.010 1.00 0.00 C ATOM 273 CG LEU A 15 27.693 23.423 29.304 1.00 0.00 C ATOM 274 CD1 LEU A 15 27.751 24.702 28.469 1.00 0.00 C ATOM 275 CD2 LEU A 15 28.843 23.461 30.303 1.00 0.00 C ATOM 0 H LEU A 15 27.174 22.444 32.206 1.00 0.00 H new ATOM 0 HA LEU A 15 24.825 21.931 30.690 1.00 0.00 H new ATOM 0 HB2 LEU A 15 25.557 23.606 29.295 1.00 0.00 H new ATOM 0 HB3 LEU A 15 26.307 24.042 30.817 1.00 0.00 H new ATOM 0 HG LEU A 15 27.798 22.542 28.671 1.00 0.00 H new ATOM 0 HD11 LEU A 15 28.721 24.771 27.976 1.00 0.00 H new ATOM 0 HD12 LEU A 15 26.962 24.682 27.717 1.00 0.00 H new ATOM 0 HD13 LEU A 15 27.612 25.567 29.118 1.00 0.00 H new ATOM 0 HD21 LEU A 15 29.788 23.541 29.767 1.00 0.00 H new ATOM 0 HD22 LEU A 15 28.725 24.322 30.961 1.00 0.00 H new ATOM 0 HD23 LEU A 15 28.839 22.547 30.897 1.00 0.00 H new ATOM 287 N PRO A 16 25.319 20.423 28.719 1.00 0.00 N ATOM 288 CA PRO A 16 25.588 19.477 27.633 1.00 0.00 C ATOM 289 C PRO A 16 26.564 20.055 26.591 1.00 0.00 C ATOM 290 O PRO A 16 26.836 21.258 26.565 1.00 0.00 O ATOM 291 CB PRO A 16 24.211 19.183 27.023 1.00 0.00 C ATOM 292 CG PRO A 16 23.456 20.496 27.223 1.00 0.00 C ATOM 293 CD PRO A 16 23.974 20.973 28.577 1.00 0.00 C ATOM 0 HA PRO A 16 26.076 18.572 27.996 1.00 0.00 H new ATOM 0 HB2 PRO A 16 24.286 18.918 25.968 1.00 0.00 H new ATOM 0 HB3 PRO A 16 23.716 18.353 27.527 1.00 0.00 H new ATOM 0 HG2 PRO A 16 23.672 21.213 26.431 1.00 0.00 H new ATOM 0 HG3 PRO A 16 22.376 20.346 27.232 1.00 0.00 H new ATOM 0 HD2 PRO A 16 23.992 22.062 28.624 1.00 0.00 H new ATOM 0 HD3 PRO A 16 23.326 20.630 29.384 1.00 0.00 H new ATOM 301 N SER A 17 27.052 19.204 25.685 1.00 0.00 N ATOM 302 CA SER A 17 28.010 19.528 24.605 1.00 0.00 C ATOM 303 C SER A 17 27.413 20.365 23.446 1.00 0.00 C ATOM 304 O SER A 17 27.676 20.105 22.270 1.00 0.00 O ATOM 305 CB SER A 17 28.649 18.234 24.075 1.00 0.00 C ATOM 306 OG SER A 17 29.209 17.471 25.136 1.00 0.00 O ATOM 0 H SER A 17 26.782 18.221 25.677 1.00 0.00 H new ATOM 0 HA SER A 17 28.770 20.169 25.052 1.00 0.00 H new ATOM 0 HB2 SER A 17 27.898 17.641 23.553 1.00 0.00 H new ATOM 0 HB3 SER A 17 29.425 18.478 23.349 1.00 0.00 H new ATOM 0 HG SER A 17 29.608 16.652 24.775 1.00 0.00 H new ATOM 312 N HIS A 18 26.577 21.359 23.764 1.00 0.00 N ATOM 313 CA HIS A 18 25.857 22.212 22.805 1.00 0.00 C ATOM 314 C HIS A 18 26.779 23.135 21.987 1.00 0.00 C ATOM 315 O HIS A 18 26.515 23.384 20.809 1.00 0.00 O ATOM 316 CB HIS A 18 24.820 23.038 23.586 1.00 0.00 C ATOM 317 CG HIS A 18 24.046 24.003 22.721 1.00 0.00 C ATOM 318 ND1 HIS A 18 23.052 23.655 21.803 1.00 0.00 N ATOM 319 CD2 HIS A 18 24.262 25.350 22.648 1.00 0.00 C ATOM 320 CE1 HIS A 18 22.699 24.798 21.190 1.00 0.00 C ATOM 321 NE2 HIS A 18 23.412 25.830 21.677 1.00 0.00 N ATOM 0 H HIS A 18 26.374 21.603 24.733 1.00 0.00 H new ATOM 0 HA HIS A 18 25.375 21.564 22.073 1.00 0.00 H new ATOM 0 HB2 HIS A 18 24.121 22.360 24.076 1.00 0.00 H new ATOM 0 HB3 HIS A 18 25.328 23.595 24.373 1.00 0.00 H new ATOM 0 HD2 HIS A 18 24.962 25.925 23.236 1.00 0.00 H new ATOM 0 HE1 HIS A 18 21.950 24.877 20.416 1.00 0.00 H new ATOM 0 HE2 HIS A 18 23.336 26.802 21.378 1.00 0.00 H new ATOM 329 N VAL A 19 27.853 23.646 22.599 1.00 0.00 N ATOM 330 CA VAL A 19 28.745 24.668 22.015 1.00 0.00 C ATOM 331 C VAL A 19 30.182 24.520 22.542 1.00 0.00 C ATOM 332 O VAL A 19 30.394 24.335 23.741 1.00 0.00 O ATOM 333 CB VAL A 19 28.142 26.075 22.254 1.00 0.00 C ATOM 334 CG1 VAL A 19 28.113 26.511 23.725 1.00 0.00 C ATOM 335 CG2 VAL A 19 28.860 27.158 21.452 1.00 0.00 C ATOM 0 H VAL A 19 28.137 23.358 23.535 1.00 0.00 H new ATOM 0 HA VAL A 19 28.816 24.523 20.937 1.00 0.00 H new ATOM 0 HB VAL A 19 27.112 25.971 21.912 1.00 0.00 H new ATOM 0 HG11 VAL A 19 27.676 27.507 23.801 1.00 0.00 H new ATOM 0 HG12 VAL A 19 27.513 25.807 24.302 1.00 0.00 H new ATOM 0 HG13 VAL A 19 29.129 26.530 24.119 1.00 0.00 H new ATOM 0 HG21 VAL A 19 28.400 28.125 21.654 1.00 0.00 H new ATOM 0 HG22 VAL A 19 29.911 27.188 21.741 1.00 0.00 H new ATOM 0 HG23 VAL A 19 28.782 26.935 20.388 1.00 0.00 H new ATOM 345 N SER A 20 31.176 24.579 21.647 1.00 0.00 N ATOM 346 CA SER A 20 32.612 24.530 21.997 1.00 0.00 C ATOM 347 C SER A 20 33.181 25.925 22.307 1.00 0.00 C ATOM 348 O SER A 20 32.584 26.944 21.959 1.00 0.00 O ATOM 349 CB SER A 20 33.425 23.885 20.863 1.00 0.00 C ATOM 350 OG SER A 20 32.937 22.590 20.548 1.00 0.00 O ATOM 0 H SER A 20 31.009 24.663 20.644 1.00 0.00 H new ATOM 0 HA SER A 20 32.696 23.923 22.898 1.00 0.00 H new ATOM 0 HB2 SER A 20 33.381 24.518 19.976 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.473 23.819 21.156 1.00 0.00 H new ATOM 0 HG SER A 20 33.473 22.206 19.823 1.00 0.00 H new ATOM 356 N SER A 21 34.384 25.992 22.892 1.00 0.00 N ATOM 357 CA SER A 21 35.125 27.252 23.117 1.00 0.00 C ATOM 358 C SER A 21 35.368 28.026 21.806 1.00 0.00 C ATOM 359 O SER A 21 35.060 29.214 21.714 1.00 0.00 O ATOM 360 CB SER A 21 36.452 26.950 23.820 1.00 0.00 C ATOM 361 OG SER A 21 37.212 26.008 23.075 1.00 0.00 O ATOM 0 H SER A 21 34.880 25.167 23.228 1.00 0.00 H new ATOM 0 HA SER A 21 34.513 27.892 23.753 1.00 0.00 H new ATOM 0 HB2 SER A 21 37.023 27.871 23.941 1.00 0.00 H new ATOM 0 HB3 SER A 21 36.259 26.560 24.820 1.00 0.00 H new ATOM 0 HG SER A 21 38.057 25.829 23.539 1.00 0.00 H new ATOM 367 N ARG A 22 35.816 27.325 20.756 1.00 0.00 N ATOM 368 CA ARG A 22 35.978 27.827 19.375 1.00 0.00 C ATOM 369 C ARG A 22 34.678 28.384 18.787 1.00 0.00 C ATOM 370 O ARG A 22 34.702 29.376 18.057 1.00 0.00 O ATOM 371 CB ARG A 22 36.573 26.672 18.540 1.00 0.00 C ATOM 372 CG ARG A 22 36.631 26.856 17.011 1.00 0.00 C ATOM 373 CD ARG A 22 35.318 26.456 16.317 1.00 0.00 C ATOM 374 NE ARG A 22 35.480 26.294 14.861 1.00 0.00 N ATOM 375 CZ ARG A 22 34.564 25.819 14.034 1.00 0.00 C ATOM 376 NH1 ARG A 22 33.368 25.486 14.433 1.00 0.00 N ATOM 377 NH2 ARG A 22 34.839 25.666 12.769 1.00 0.00 N ATOM 0 H ARG A 22 36.089 26.346 20.845 1.00 0.00 H new ATOM 0 HA ARG A 22 36.655 28.682 19.364 1.00 0.00 H new ATOM 0 HB2 ARG A 22 37.587 26.488 18.895 1.00 0.00 H new ATOM 0 HB3 ARG A 22 35.994 25.773 18.749 1.00 0.00 H new ATOM 0 HG2 ARG A 22 36.856 27.898 16.782 1.00 0.00 H new ATOM 0 HG3 ARG A 22 37.448 26.258 16.607 1.00 0.00 H new ATOM 0 HD2 ARG A 22 34.953 25.523 16.746 1.00 0.00 H new ATOM 0 HD3 ARG A 22 34.560 27.215 16.514 1.00 0.00 H new ATOM 0 HE ARG A 22 36.374 26.572 14.457 1.00 0.00 H new ATOM 0 HH11 ARG A 22 33.111 25.588 15.415 1.00 0.00 H new ATOM 0 HH12 ARG A 22 32.690 25.123 13.763 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.763 25.913 12.414 1.00 0.00 H new ATOM 0 HH22 ARG A 22 34.130 25.299 12.134 1.00 0.00 H new ATOM 391 N ASP A 23 33.544 27.761 19.097 1.00 0.00 N ATOM 392 CA ASP A 23 32.228 28.187 18.616 1.00 0.00 C ATOM 393 C ASP A 23 31.735 29.438 19.360 1.00 0.00 C ATOM 394 O ASP A 23 31.384 30.430 18.720 1.00 0.00 O ATOM 395 CB ASP A 23 31.206 27.048 18.746 1.00 0.00 C ATOM 396 CG ASP A 23 31.575 25.743 18.027 1.00 0.00 C ATOM 397 OD1 ASP A 23 32.281 25.775 16.991 1.00 0.00 O ATOM 398 OD2 ASP A 23 31.131 24.677 18.514 1.00 0.00 O ATOM 0 H ASP A 23 33.510 26.936 19.696 1.00 0.00 H new ATOM 0 HA ASP A 23 32.331 28.444 17.562 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.063 26.831 19.805 1.00 0.00 H new ATOM 0 HB3 ASP A 23 30.248 27.397 18.360 1.00 0.00 H new ATOM 403 N VAL A 24 31.751 29.435 20.700 1.00 0.00 N ATOM 404 CA VAL A 24 31.247 30.554 21.520 1.00 0.00 C ATOM 405 C VAL A 24 32.100 31.825 21.376 1.00 0.00 C ATOM 406 O VAL A 24 31.564 32.932 21.419 1.00 0.00 O ATOM 407 CB VAL A 24 31.058 30.118 22.990 1.00 0.00 C ATOM 408 CG1 VAL A 24 32.356 30.048 23.797 1.00 0.00 C ATOM 409 CG2 VAL A 24 30.099 31.054 23.724 1.00 0.00 C ATOM 0 H VAL A 24 32.114 28.657 21.250 1.00 0.00 H new ATOM 0 HA VAL A 24 30.264 30.825 21.136 1.00 0.00 H new ATOM 0 HB VAL A 24 30.650 29.109 22.923 1.00 0.00 H new ATOM 0 HG11 VAL A 24 32.134 29.734 24.817 1.00 0.00 H new ATOM 0 HG12 VAL A 24 33.033 29.329 23.336 1.00 0.00 H new ATOM 0 HG13 VAL A 24 32.827 31.031 23.814 1.00 0.00 H new ATOM 0 HG21 VAL A 24 29.985 30.722 24.756 1.00 0.00 H new ATOM 0 HG22 VAL A 24 30.499 32.068 23.711 1.00 0.00 H new ATOM 0 HG23 VAL A 24 29.128 31.040 23.230 1.00 0.00 H new ATOM 419 N GLU A 25 33.399 31.679 21.091 1.00 0.00 N ATOM 420 CA GLU A 25 34.312 32.772 20.721 1.00 0.00 C ATOM 421 C GLU A 25 33.822 33.575 19.498 1.00 0.00 C ATOM 422 O GLU A 25 34.108 34.768 19.384 1.00 0.00 O ATOM 423 CB GLU A 25 35.706 32.165 20.448 1.00 0.00 C ATOM 424 CG GLU A 25 36.787 33.184 20.053 1.00 0.00 C ATOM 425 CD GLU A 25 38.164 32.531 19.802 1.00 0.00 C ATOM 426 OE1 GLU A 25 38.595 31.644 20.579 1.00 0.00 O ATOM 427 OE2 GLU A 25 38.844 32.924 18.822 1.00 0.00 O ATOM 0 H GLU A 25 33.860 30.770 21.112 1.00 0.00 H new ATOM 0 HA GLU A 25 34.353 33.481 21.548 1.00 0.00 H new ATOM 0 HB2 GLU A 25 36.036 31.634 21.340 1.00 0.00 H new ATOM 0 HB3 GLU A 25 35.615 31.426 19.652 1.00 0.00 H new ATOM 0 HG2 GLU A 25 36.471 33.711 19.153 1.00 0.00 H new ATOM 0 HG3 GLU A 25 36.882 33.930 20.842 1.00 0.00 H new ATOM 434 N ASN A 26 33.068 32.940 18.596 1.00 0.00 N ATOM 435 CA ASN A 26 32.528 33.552 17.378 1.00 0.00 C ATOM 436 C ASN A 26 31.017 33.844 17.471 1.00 0.00 C ATOM 437 O ASN A 26 30.571 34.904 17.034 1.00 0.00 O ATOM 438 CB ASN A 26 32.884 32.637 16.193 1.00 0.00 C ATOM 439 CG ASN A 26 34.376 32.658 15.900 1.00 0.00 C ATOM 440 OD1 ASN A 26 34.894 33.591 15.299 1.00 0.00 O ATOM 441 ND2 ASN A 26 35.127 31.660 16.313 1.00 0.00 N ATOM 0 H ASN A 26 32.809 31.958 18.696 1.00 0.00 H new ATOM 0 HA ASN A 26 32.981 34.533 17.234 1.00 0.00 H new ATOM 0 HB2 ASN A 26 32.570 31.617 16.413 1.00 0.00 H new ATOM 0 HB3 ASN A 26 32.334 32.956 15.308 1.00 0.00 H new ATOM 0 HD21 ASN A 26 36.131 31.668 16.132 1.00 0.00 H new ATOM 0 HD22 ASN A 26 34.706 30.878 16.814 1.00 0.00 H new ATOM 448 N GLU A 27 30.227 32.945 18.061 1.00 0.00 N ATOM 449 CA GLU A 27 28.761 33.042 18.124 1.00 0.00 C ATOM 450 C GLU A 27 28.267 34.214 18.987 1.00 0.00 C ATOM 451 O GLU A 27 27.302 34.891 18.622 1.00 0.00 O ATOM 452 CB GLU A 27 28.203 31.703 18.637 1.00 0.00 C ATOM 453 CG GLU A 27 26.670 31.631 18.757 1.00 0.00 C ATOM 454 CD GLU A 27 25.909 31.893 17.437 1.00 0.00 C ATOM 455 OE1 GLU A 27 26.448 31.630 16.337 1.00 0.00 O ATOM 456 OE2 GLU A 27 24.731 32.328 17.500 1.00 0.00 O ATOM 0 H GLU A 27 30.593 32.110 18.519 1.00 0.00 H new ATOM 0 HA GLU A 27 28.392 33.247 17.119 1.00 0.00 H new ATOM 0 HB2 GLU A 27 28.536 30.909 17.968 1.00 0.00 H new ATOM 0 HB3 GLU A 27 28.637 31.498 19.616 1.00 0.00 H new ATOM 0 HG2 GLU A 27 26.394 30.645 19.131 1.00 0.00 H new ATOM 0 HG3 GLU A 27 26.342 32.357 19.501 1.00 0.00 H new ATOM 463 N PHE A 28 28.932 34.497 20.115 1.00 0.00 N ATOM 464 CA PHE A 28 28.532 35.583 21.019 1.00 0.00 C ATOM 465 C PHE A 28 28.782 36.991 20.450 1.00 0.00 C ATOM 466 O PHE A 28 28.164 37.945 20.926 1.00 0.00 O ATOM 467 CB PHE A 28 29.211 35.403 22.386 1.00 0.00 C ATOM 468 CG PHE A 28 28.570 34.414 23.354 1.00 0.00 C ATOM 469 CD1 PHE A 28 27.552 33.511 22.969 1.00 0.00 C ATOM 470 CD2 PHE A 28 28.983 34.440 24.699 1.00 0.00 C ATOM 471 CE1 PHE A 28 26.961 32.658 23.921 1.00 0.00 C ATOM 472 CE2 PHE A 28 28.411 33.574 25.643 1.00 0.00 C ATOM 473 CZ PHE A 28 27.393 32.685 25.258 1.00 0.00 C ATOM 0 H PHE A 28 29.757 33.983 20.425 1.00 0.00 H new ATOM 0 HA PHE A 28 27.451 35.511 21.137 1.00 0.00 H new ATOM 0 HB2 PHE A 28 30.241 35.089 22.214 1.00 0.00 H new ATOM 0 HB3 PHE A 28 29.252 36.377 22.874 1.00 0.00 H new ATOM 0 HD1 PHE A 28 27.226 33.475 21.940 1.00 0.00 H new ATOM 0 HD2 PHE A 28 29.750 35.135 25.008 1.00 0.00 H new ATOM 0 HE1 PHE A 28 26.174 31.981 23.623 1.00 0.00 H new ATOM 0 HE2 PHE A 28 28.754 33.591 26.667 1.00 0.00 H new ATOM 0 HZ PHE A 28 26.945 32.026 25.986 1.00 0.00 H new ATOM 483 N ARG A 29 29.618 37.141 19.410 1.00 0.00 N ATOM 484 CA ARG A 29 30.068 38.447 18.883 1.00 0.00 C ATOM 485 C ARG A 29 28.935 39.356 18.380 1.00 0.00 C ATOM 486 O ARG A 29 29.094 40.577 18.415 1.00 0.00 O ATOM 487 CB ARG A 29 31.142 38.243 17.797 1.00 0.00 C ATOM 488 CG ARG A 29 32.415 37.591 18.368 1.00 0.00 C ATOM 489 CD ARG A 29 33.524 37.423 17.320 1.00 0.00 C ATOM 490 NE ARG A 29 34.148 38.709 16.949 1.00 0.00 N ATOM 491 CZ ARG A 29 35.259 38.868 16.251 1.00 0.00 C ATOM 492 NH1 ARG A 29 35.917 37.857 15.756 1.00 0.00 N ATOM 493 NH2 ARG A 29 35.734 40.060 16.029 1.00 0.00 N ATOM 0 H ARG A 29 30.008 36.348 18.901 1.00 0.00 H new ATOM 0 HA ARG A 29 30.500 38.979 19.730 1.00 0.00 H new ATOM 0 HB2 ARG A 29 30.739 37.618 17.000 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.395 39.205 17.351 1.00 0.00 H new ATOM 0 HG2 ARG A 29 32.790 38.199 19.192 1.00 0.00 H new ATOM 0 HG3 ARG A 29 32.162 36.615 18.782 1.00 0.00 H new ATOM 0 HD2 ARG A 29 34.288 36.750 17.709 1.00 0.00 H new ATOM 0 HD3 ARG A 29 33.109 36.953 16.428 1.00 0.00 H new ATOM 0 HE ARG A 29 33.676 39.557 17.262 1.00 0.00 H new ATOM 0 HH11 ARG A 29 35.577 36.906 15.903 1.00 0.00 H new ATOM 0 HH12 ARG A 29 36.771 38.017 15.222 1.00 0.00 H new ATOM 0 HH21 ARG A 29 35.248 40.879 16.395 1.00 0.00 H new ATOM 0 HH22 ARG A 29 36.592 40.175 15.489 1.00 0.00 H new ATOM 507 N LYS A 30 27.789 38.798 17.959 1.00 0.00 N ATOM 508 CA LYS A 30 26.589 39.583 17.582 1.00 0.00 C ATOM 509 C LYS A 30 25.866 40.178 18.805 1.00 0.00 C ATOM 510 O LYS A 30 25.331 41.282 18.721 1.00 0.00 O ATOM 511 CB LYS A 30 25.678 38.757 16.632 1.00 0.00 C ATOM 512 CG LYS A 30 24.449 38.065 17.258 1.00 0.00 C ATOM 513 CD LYS A 30 23.203 38.974 17.300 1.00 0.00 C ATOM 514 CE LYS A 30 22.246 38.550 18.422 1.00 0.00 C ATOM 515 NZ LYS A 30 21.100 39.485 18.573 1.00 0.00 N ATOM 0 H LYS A 30 27.662 37.790 17.868 1.00 0.00 H new ATOM 0 HA LYS A 30 26.908 40.458 17.016 1.00 0.00 H new ATOM 0 HB2 LYS A 30 25.326 39.419 15.841 1.00 0.00 H new ATOM 0 HB3 LYS A 30 26.291 37.991 16.157 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.216 37.165 16.689 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.695 37.747 18.271 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.509 40.009 17.451 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.686 38.931 16.341 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.869 37.548 18.215 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.794 38.497 19.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.649 39.335 19.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.441 40.465 18.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.407 39.309 17.818 1.00 0.00 H new ATOM 529 N TYR A 31 25.869 39.464 19.936 1.00 0.00 N ATOM 530 CA TYR A 31 25.257 39.886 21.204 1.00 0.00 C ATOM 531 C TYR A 31 26.149 40.873 21.976 1.00 0.00 C ATOM 532 O TYR A 31 25.651 41.804 22.608 1.00 0.00 O ATOM 533 CB TYR A 31 24.974 38.650 22.071 1.00 0.00 C ATOM 534 CG TYR A 31 24.043 37.620 21.452 1.00 0.00 C ATOM 535 CD1 TYR A 31 22.653 37.747 21.622 1.00 0.00 C ATOM 536 CD2 TYR A 31 24.558 36.524 20.733 1.00 0.00 C ATOM 537 CE1 TYR A 31 21.779 36.776 21.096 1.00 0.00 C ATOM 538 CE2 TYR A 31 23.690 35.552 20.198 1.00 0.00 C ATOM 539 CZ TYR A 31 22.295 35.672 20.385 1.00 0.00 C ATOM 540 OH TYR A 31 21.446 34.741 19.872 1.00 0.00 O ATOM 0 H TYR A 31 26.311 38.547 19.998 1.00 0.00 H new ATOM 0 HA TYR A 31 24.326 40.402 20.970 1.00 0.00 H new ATOM 0 HB2 TYR A 31 25.922 38.165 22.303 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.545 38.981 23.017 1.00 0.00 H new ATOM 0 HD1 TYR A 31 22.253 38.594 22.159 1.00 0.00 H new ATOM 0 HD2 TYR A 31 25.624 36.428 20.591 1.00 0.00 H new ATOM 0 HE1 TYR A 31 20.713 36.877 21.237 1.00 0.00 H new ATOM 0 HE2 TYR A 31 24.091 34.715 19.645 1.00 0.00 H new ATOM 0 HH TYR A 31 21.962 34.047 19.411 1.00 0.00 H new ATOM 550 N GLY A 32 27.469 40.694 21.916 1.00 0.00 N ATOM 551 CA GLY A 32 28.448 41.591 22.528 1.00 0.00 C ATOM 552 C GLY A 32 29.890 41.157 22.264 1.00 0.00 C ATOM 553 O GLY A 32 30.143 40.025 21.849 1.00 0.00 O ATOM 0 H GLY A 32 27.896 39.905 21.430 1.00 0.00 H new ATOM 0 HA2 GLY A 32 28.300 42.600 22.144 1.00 0.00 H new ATOM 0 HA3 GLY A 32 28.276 41.631 23.604 1.00 0.00 H new ATOM 557 N ASN A 33 30.856 42.040 22.508 1.00 0.00 N ATOM 558 CA ASN A 33 32.271 41.709 22.355 1.00 0.00 C ATOM 559 C ASN A 33 32.720 40.749 23.474 1.00 0.00 C ATOM 560 O ASN A 33 32.914 41.159 24.621 1.00 0.00 O ATOM 561 CB ASN A 33 33.117 42.992 22.287 1.00 0.00 C ATOM 562 CG ASN A 33 32.854 43.796 21.026 1.00 0.00 C ATOM 563 OD1 ASN A 33 32.034 44.702 20.986 1.00 0.00 O ATOM 564 ND2 ASN A 33 33.541 43.492 19.944 1.00 0.00 N ATOM 0 H ASN A 33 30.682 42.997 22.815 1.00 0.00 H new ATOM 0 HA ASN A 33 32.423 41.184 21.412 1.00 0.00 H new ATOM 0 HB2 ASN A 33 32.904 43.610 23.159 1.00 0.00 H new ATOM 0 HB3 ASN A 33 34.174 42.729 22.333 1.00 0.00 H new ATOM 0 HD21 ASN A 33 33.387 44.011 19.080 1.00 0.00 H new ATOM 0 HD22 ASN A 33 34.227 42.737 19.971 1.00 0.00 H new ATOM 571 N ILE A 34 32.884 39.468 23.135 1.00 0.00 N ATOM 572 CA ILE A 34 33.534 38.464 23.986 1.00 0.00 C ATOM 573 C ILE A 34 35.028 38.795 24.122 1.00 0.00 C ATOM 574 O ILE A 34 35.714 39.054 23.129 1.00 0.00 O ATOM 575 CB ILE A 34 33.240 37.022 23.499 1.00 0.00 C ATOM 576 CG1 ILE A 34 34.053 35.919 24.225 1.00 0.00 C ATOM 577 CG2 ILE A 34 33.306 36.840 21.970 1.00 0.00 C ATOM 578 CD1 ILE A 34 35.461 35.591 23.704 1.00 0.00 C ATOM 0 H ILE A 34 32.563 39.090 22.244 1.00 0.00 H new ATOM 0 HA ILE A 34 33.110 38.502 24.990 1.00 0.00 H new ATOM 0 HB ILE A 34 32.198 36.883 23.788 1.00 0.00 H new ATOM 0 HG12 ILE A 34 34.145 36.208 25.272 1.00 0.00 H new ATOM 0 HG13 ILE A 34 33.466 35.001 24.198 1.00 0.00 H new ATOM 0 HG21 ILE A 34 33.088 35.802 21.717 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.573 37.491 21.494 1.00 0.00 H new ATOM 0 HG23 ILE A 34 34.304 37.097 21.616 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.900 34.802 24.314 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.397 35.256 22.669 1.00 0.00 H new ATOM 0 HD13 ILE A 34 36.086 36.482 23.759 1.00 0.00 H new ATOM 590 N LEU A 35 35.525 38.802 25.364 1.00 0.00 N ATOM 591 CA LEU A 35 36.915 39.133 25.705 1.00 0.00 C ATOM 592 C LEU A 35 37.778 37.876 25.929 1.00 0.00 C ATOM 593 O LEU A 35 38.916 37.829 25.457 1.00 0.00 O ATOM 594 CB LEU A 35 36.926 40.071 26.929 1.00 0.00 C ATOM 595 CG LEU A 35 36.148 41.394 26.747 1.00 0.00 C ATOM 596 CD1 LEU A 35 36.261 42.247 28.010 1.00 0.00 C ATOM 597 CD2 LEU A 35 36.678 42.227 25.575 1.00 0.00 C ATOM 0 H LEU A 35 34.959 38.572 26.181 1.00 0.00 H new ATOM 0 HA LEU A 35 37.368 39.650 24.860 1.00 0.00 H new ATOM 0 HB2 LEU A 35 36.508 39.536 27.781 1.00 0.00 H new ATOM 0 HB3 LEU A 35 37.961 40.307 27.177 1.00 0.00 H new ATOM 0 HG LEU A 35 35.113 41.118 26.546 1.00 0.00 H new ATOM 0 HD11 LEU A 35 35.709 43.177 27.872 1.00 0.00 H new ATOM 0 HD12 LEU A 35 35.845 41.701 28.856 1.00 0.00 H new ATOM 0 HD13 LEU A 35 37.310 42.473 28.204 1.00 0.00 H new ATOM 0 HD21 LEU A 35 36.098 43.146 25.490 1.00 0.00 H new ATOM 0 HD22 LEU A 35 37.725 42.474 25.748 1.00 0.00 H new ATOM 0 HD23 LEU A 35 36.588 41.654 24.652 1.00 0.00 H new ATOM 609 N LYS A 36 37.232 36.854 26.606 1.00 0.00 N ATOM 610 CA LYS A 36 37.858 35.534 26.831 1.00 0.00 C ATOM 611 C LYS A 36 36.790 34.476 27.156 1.00 0.00 C ATOM 612 O LYS A 36 35.792 34.794 27.804 1.00 0.00 O ATOM 613 CB LYS A 36 38.929 35.666 27.943 1.00 0.00 C ATOM 614 CG LYS A 36 39.801 34.409 28.132 1.00 0.00 C ATOM 615 CD LYS A 36 39.281 33.470 29.234 1.00 0.00 C ATOM 616 CE LYS A 36 39.552 31.999 28.905 1.00 0.00 C ATOM 617 NZ LYS A 36 40.972 31.596 29.031 1.00 0.00 N ATOM 0 H LYS A 36 36.307 36.923 27.030 1.00 0.00 H new ATOM 0 HA LYS A 36 38.357 35.195 25.923 1.00 0.00 H new ATOM 0 HB2 LYS A 36 39.576 36.512 27.710 1.00 0.00 H new ATOM 0 HB3 LYS A 36 38.432 35.895 28.886 1.00 0.00 H new ATOM 0 HG2 LYS A 36 39.848 33.862 27.190 1.00 0.00 H new ATOM 0 HG3 LYS A 36 40.819 34.714 28.374 1.00 0.00 H new ATOM 0 HD2 LYS A 36 39.756 33.724 30.181 1.00 0.00 H new ATOM 0 HD3 LYS A 36 38.209 33.622 29.364 1.00 0.00 H new ATOM 0 HE2 LYS A 36 38.950 31.375 29.565 1.00 0.00 H new ATOM 0 HE3 LYS A 36 39.219 31.800 27.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 41.117 30.681 28.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 41.578 32.315 28.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 41.220 31.508 30.037 1.00 0.00 H new ATOM 631 N CYS A 37 36.995 33.224 26.742 1.00 0.00 N ATOM 632 CA CYS A 37 36.073 32.101 26.978 1.00 0.00 C ATOM 633 C CYS A 37 36.802 30.768 27.243 1.00 0.00 C ATOM 634 O CYS A 37 37.847 30.492 26.649 1.00 0.00 O ATOM 635 CB CYS A 37 35.105 31.977 25.788 1.00 0.00 C ATOM 636 SG CYS A 37 35.994 31.695 24.228 1.00 0.00 S ATOM 0 H CYS A 37 37.827 32.952 26.219 1.00 0.00 H new ATOM 0 HA CYS A 37 35.512 32.318 27.887 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.412 31.155 25.966 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.508 32.885 25.708 1.00 0.00 H new ATOM 0 HG CYS A 37 37.132 31.117 24.475 1.00 0.00 H new ATOM 642 N ASP A 38 36.256 29.935 28.131 1.00 0.00 N ATOM 643 CA ASP A 38 36.683 28.542 28.370 1.00 0.00 C ATOM 644 C ASP A 38 35.580 27.720 29.067 1.00 0.00 C ATOM 645 O ASP A 38 34.609 28.263 29.602 1.00 0.00 O ATOM 646 CB ASP A 38 37.999 28.500 29.185 1.00 0.00 C ATOM 647 CG ASP A 38 39.256 28.268 28.326 1.00 0.00 C ATOM 648 OD1 ASP A 38 39.235 27.387 27.435 1.00 0.00 O ATOM 649 OD2 ASP A 38 40.293 28.923 28.599 1.00 0.00 O ATOM 0 H ASP A 38 35.477 30.215 28.727 1.00 0.00 H new ATOM 0 HA ASP A 38 36.867 28.085 27.398 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.109 29.439 29.727 1.00 0.00 H new ATOM 0 HB3 ASP A 38 37.929 27.708 29.930 1.00 0.00 H new ATOM 654 N VAL A 39 35.741 26.394 29.075 1.00 0.00 N ATOM 655 CA VAL A 39 34.820 25.434 29.704 1.00 0.00 C ATOM 656 C VAL A 39 35.591 24.381 30.514 1.00 0.00 C ATOM 657 O VAL A 39 36.545 23.767 30.028 1.00 0.00 O ATOM 658 CB VAL A 39 33.843 24.842 28.663 1.00 0.00 C ATOM 659 CG1 VAL A 39 34.531 24.111 27.500 1.00 0.00 C ATOM 660 CG2 VAL A 39 32.829 23.886 29.299 1.00 0.00 C ATOM 0 H VAL A 39 36.540 25.941 28.631 1.00 0.00 H new ATOM 0 HA VAL A 39 34.195 25.959 30.427 1.00 0.00 H new ATOM 0 HB VAL A 39 33.333 25.716 28.258 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.776 23.726 26.815 1.00 0.00 H new ATOM 0 HG12 VAL A 39 35.183 24.805 26.969 1.00 0.00 H new ATOM 0 HG13 VAL A 39 35.123 23.283 27.890 1.00 0.00 H new ATOM 0 HG21 VAL A 39 32.164 23.496 28.529 1.00 0.00 H new ATOM 0 HG22 VAL A 39 33.357 23.060 29.775 1.00 0.00 H new ATOM 0 HG23 VAL A 39 32.243 24.421 30.046 1.00 0.00 H new ATOM 670 N LYS A 40 35.190 24.205 31.777 1.00 0.00 N ATOM 671 CA LYS A 40 35.769 23.278 32.763 1.00 0.00 C ATOM 672 C LYS A 40 34.915 22.007 32.871 1.00 0.00 C ATOM 673 O LYS A 40 33.765 22.004 32.438 1.00 0.00 O ATOM 674 CB LYS A 40 35.872 23.954 34.149 1.00 0.00 C ATOM 675 CG LYS A 40 36.630 25.295 34.225 1.00 0.00 C ATOM 676 CD LYS A 40 35.769 26.510 33.842 1.00 0.00 C ATOM 677 CE LYS A 40 36.355 27.847 34.314 1.00 0.00 C ATOM 678 NZ LYS A 40 36.272 28.013 35.786 1.00 0.00 N ATOM 0 H LYS A 40 34.408 24.734 32.164 1.00 0.00 H new ATOM 0 HA LYS A 40 36.770 23.007 32.426 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.861 24.116 34.522 1.00 0.00 H new ATOM 0 HB3 LYS A 40 36.355 23.254 34.831 1.00 0.00 H new ATOM 0 HG2 LYS A 40 37.008 25.433 35.238 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.496 25.251 33.565 1.00 0.00 H new ATOM 0 HD2 LYS A 40 35.652 26.536 32.759 1.00 0.00 H new ATOM 0 HD3 LYS A 40 34.773 26.388 34.267 1.00 0.00 H new ATOM 0 HE2 LYS A 40 37.397 27.914 34.002 1.00 0.00 H new ATOM 0 HE3 LYS A 40 35.823 28.665 33.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 36.570 28.975 36.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 35.292 27.858 36.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 36.896 27.322 36.249 1.00 0.00 H new ATOM 692 N LYS A 41 35.442 20.954 33.507 1.00 0.00 N ATOM 693 CA LYS A 41 34.663 19.778 33.948 1.00 0.00 C ATOM 694 C LYS A 41 35.212 19.139 35.229 1.00 0.00 C ATOM 695 O LYS A 41 36.415 19.192 35.483 1.00 0.00 O ATOM 696 CB LYS A 41 34.473 18.752 32.808 1.00 0.00 C ATOM 697 CG LYS A 41 35.662 17.822 32.490 1.00 0.00 C ATOM 698 CD LYS A 41 36.951 18.495 31.989 1.00 0.00 C ATOM 699 CE LYS A 41 36.729 19.273 30.683 1.00 0.00 C ATOM 700 NZ LYS A 41 38.006 19.823 30.153 1.00 0.00 N ATOM 0 H LYS A 41 36.434 20.888 33.735 1.00 0.00 H new ATOM 0 HA LYS A 41 33.672 20.149 34.209 1.00 0.00 H new ATOM 0 HB2 LYS A 41 33.613 18.129 33.054 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.220 19.299 31.900 1.00 0.00 H new ATOM 0 HG2 LYS A 41 35.901 17.256 33.390 1.00 0.00 H new ATOM 0 HG3 LYS A 41 35.339 17.102 31.738 1.00 0.00 H new ATOM 0 HD2 LYS A 41 37.326 19.174 32.755 1.00 0.00 H new ATOM 0 HD3 LYS A 41 37.718 17.736 31.832 1.00 0.00 H new ATOM 0 HE2 LYS A 41 36.278 18.616 29.939 1.00 0.00 H new ATOM 0 HE3 LYS A 41 36.026 20.087 30.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 37.821 20.342 29.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 38.423 20.468 30.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 38.668 19.043 29.963 1.00 0.00 H new ATOM 714 N THR A 42 34.327 18.536 36.025 1.00 0.00 N ATOM 715 CA THR A 42 34.657 17.805 37.264 1.00 0.00 C ATOM 716 C THR A 42 34.676 16.286 37.046 1.00 0.00 C ATOM 717 O THR A 42 34.166 15.775 36.045 1.00 0.00 O ATOM 718 CB THR A 42 33.678 18.157 38.397 1.00 0.00 C ATOM 719 OG1 THR A 42 32.365 17.757 38.067 1.00 0.00 O ATOM 720 CG2 THR A 42 33.674 19.651 38.724 1.00 0.00 C ATOM 0 H THR A 42 33.327 18.539 35.824 1.00 0.00 H new ATOM 0 HA THR A 42 35.660 18.119 37.554 1.00 0.00 H new ATOM 0 HB THR A 42 34.023 17.616 39.278 1.00 0.00 H new ATOM 0 HG1 THR A 42 31.758 17.988 38.801 1.00 0.00 H new ATOM 0 HG21 THR A 42 32.966 19.845 39.530 1.00 0.00 H new ATOM 0 HG22 THR A 42 34.672 19.958 39.036 1.00 0.00 H new ATOM 0 HG23 THR A 42 33.381 20.216 37.839 1.00 0.00 H new ATOM 728 N VAL A 43 35.230 15.538 38.010 1.00 0.00 N ATOM 729 CA VAL A 43 35.258 14.057 37.996 1.00 0.00 C ATOM 730 C VAL A 43 33.860 13.415 38.046 1.00 0.00 C ATOM 731 O VAL A 43 33.697 12.260 37.651 1.00 0.00 O ATOM 732 CB VAL A 43 36.141 13.493 39.128 1.00 0.00 C ATOM 733 CG1 VAL A 43 37.596 13.947 38.971 1.00 0.00 C ATOM 734 CG2 VAL A 43 35.649 13.865 40.534 1.00 0.00 C ATOM 0 H VAL A 43 35.678 15.942 38.833 1.00 0.00 H new ATOM 0 HA VAL A 43 35.697 13.788 37.035 1.00 0.00 H new ATOM 0 HB VAL A 43 36.073 12.409 39.033 1.00 0.00 H new ATOM 0 HG11 VAL A 43 38.195 13.535 39.783 1.00 0.00 H new ATOM 0 HG12 VAL A 43 37.986 13.594 38.016 1.00 0.00 H new ATOM 0 HG13 VAL A 43 37.643 15.036 39.002 1.00 0.00 H new ATOM 0 HG21 VAL A 43 36.318 13.435 41.279 1.00 0.00 H new ATOM 0 HG22 VAL A 43 35.637 14.950 40.640 1.00 0.00 H new ATOM 0 HG23 VAL A 43 34.642 13.475 40.682 1.00 0.00 H new ATOM 744 N SER A 44 32.837 14.166 38.471 1.00 0.00 N ATOM 745 CA SER A 44 31.416 13.778 38.416 1.00 0.00 C ATOM 746 C SER A 44 30.823 13.797 36.994 1.00 0.00 C ATOM 747 O SER A 44 29.675 13.389 36.799 1.00 0.00 O ATOM 748 CB SER A 44 30.589 14.705 39.320 1.00 0.00 C ATOM 749 OG SER A 44 31.107 14.720 40.641 1.00 0.00 O ATOM 0 H SER A 44 32.976 15.091 38.877 1.00 0.00 H new ATOM 0 HA SER A 44 31.368 12.746 38.765 1.00 0.00 H new ATOM 0 HB2 SER A 44 30.594 15.716 38.912 1.00 0.00 H new ATOM 0 HB3 SER A 44 29.551 14.372 39.336 1.00 0.00 H new ATOM 0 HG SER A 44 30.566 15.318 41.198 1.00 0.00 H new ATOM 755 N GLY A 45 31.575 14.278 35.994 1.00 0.00 N ATOM 756 CA GLY A 45 31.159 14.382 34.589 1.00 0.00 C ATOM 757 C GLY A 45 30.374 15.657 34.241 1.00 0.00 C ATOM 758 O GLY A 45 30.018 15.855 33.076 1.00 0.00 O ATOM 0 H GLY A 45 32.524 14.618 36.148 1.00 0.00 H new ATOM 0 HA2 GLY A 45 32.046 14.335 33.958 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.546 13.516 34.341 1.00 0.00 H new ATOM 762 N ALA A 46 30.111 16.531 35.217 1.00 0.00 N ATOM 763 CA ALA A 46 29.491 17.836 35.001 1.00 0.00 C ATOM 764 C ALA A 46 30.492 18.841 34.400 1.00 0.00 C ATOM 765 O ALA A 46 31.628 18.946 34.867 1.00 0.00 O ATOM 766 CB ALA A 46 28.922 18.334 36.335 1.00 0.00 C ATOM 0 H ALA A 46 30.328 16.345 36.196 1.00 0.00 H new ATOM 0 HA ALA A 46 28.681 17.739 34.278 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.455 19.308 36.190 1.00 0.00 H new ATOM 0 HB2 ALA A 46 28.178 17.626 36.700 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.728 18.422 37.064 1.00 0.00 H new ATOM 772 N ALA A 47 30.063 19.591 33.380 1.00 0.00 N ATOM 773 CA ALA A 47 30.835 20.664 32.749 1.00 0.00 C ATOM 774 C ALA A 47 30.303 22.059 33.127 1.00 0.00 C ATOM 775 O ALA A 47 29.123 22.216 33.446 1.00 0.00 O ATOM 776 CB ALA A 47 30.871 20.426 31.236 1.00 0.00 C ATOM 0 H ALA A 47 29.143 19.464 32.959 1.00 0.00 H new ATOM 0 HA ALA A 47 31.858 20.642 33.124 1.00 0.00 H new ATOM 0 HB1 ALA A 47 31.444 21.220 30.756 1.00 0.00 H new ATOM 0 HB2 ALA A 47 31.341 19.464 31.030 1.00 0.00 H new ATOM 0 HB3 ALA A 47 29.854 20.424 30.844 1.00 0.00 H new ATOM 782 N PHE A 48 31.166 23.080 33.081 1.00 0.00 N ATOM 783 CA PHE A 48 30.871 24.442 33.544 1.00 0.00 C ATOM 784 C PHE A 48 31.533 25.489 32.632 1.00 0.00 C ATOM 785 O PHE A 48 32.759 25.514 32.505 1.00 0.00 O ATOM 786 CB PHE A 48 31.332 24.600 35.007 1.00 0.00 C ATOM 787 CG PHE A 48 30.714 23.612 35.983 1.00 0.00 C ATOM 788 CD1 PHE A 48 31.309 22.354 36.201 1.00 0.00 C ATOM 789 CD2 PHE A 48 29.524 23.940 36.657 1.00 0.00 C ATOM 790 CE1 PHE A 48 30.699 21.423 37.062 1.00 0.00 C ATOM 791 CE2 PHE A 48 28.919 23.016 37.526 1.00 0.00 C ATOM 792 CZ PHE A 48 29.502 21.754 37.724 1.00 0.00 C ATOM 0 H PHE A 48 32.112 22.981 32.712 1.00 0.00 H new ATOM 0 HA PHE A 48 29.795 24.609 33.497 1.00 0.00 H new ATOM 0 HB2 PHE A 48 32.416 24.495 35.044 1.00 0.00 H new ATOM 0 HB3 PHE A 48 31.098 25.611 35.339 1.00 0.00 H new ATOM 0 HD1 PHE A 48 32.236 22.103 35.706 1.00 0.00 H new ATOM 0 HD2 PHE A 48 29.072 24.909 36.506 1.00 0.00 H new ATOM 0 HE1 PHE A 48 31.150 20.454 37.215 1.00 0.00 H new ATOM 0 HE2 PHE A 48 28.006 23.276 38.041 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.033 21.039 38.383 1.00 0.00 H new ATOM 802 N ALA A 49 30.739 26.340 31.977 1.00 0.00 N ATOM 803 CA ALA A 49 31.204 27.300 30.967 1.00 0.00 C ATOM 804 C ALA A 49 31.264 28.745 31.496 1.00 0.00 C ATOM 805 O ALA A 49 30.354 29.203 32.194 1.00 0.00 O ATOM 806 CB ALA A 49 30.320 27.184 29.720 1.00 0.00 C ATOM 0 H ALA A 49 29.732 26.383 32.136 1.00 0.00 H new ATOM 0 HA ALA A 49 32.232 27.048 30.705 1.00 0.00 H new ATOM 0 HB1 ALA A 49 30.660 27.894 28.966 1.00 0.00 H new ATOM 0 HB2 ALA A 49 30.385 26.172 29.321 1.00 0.00 H new ATOM 0 HB3 ALA A 49 29.286 27.404 29.985 1.00 0.00 H new ATOM 812 N PHE A 50 32.336 29.458 31.129 1.00 0.00 N ATOM 813 CA PHE A 50 32.666 30.811 31.582 1.00 0.00 C ATOM 814 C PHE A 50 33.097 31.666 30.381 1.00 0.00 C ATOM 815 O PHE A 50 34.096 31.360 29.724 1.00 0.00 O ATOM 816 CB PHE A 50 33.807 30.757 32.616 1.00 0.00 C ATOM 817 CG PHE A 50 33.470 30.168 33.975 1.00 0.00 C ATOM 818 CD1 PHE A 50 33.209 28.791 34.117 1.00 0.00 C ATOM 819 CD2 PHE A 50 33.491 30.989 35.119 1.00 0.00 C ATOM 820 CE1 PHE A 50 32.948 28.246 35.385 1.00 0.00 C ATOM 821 CE2 PHE A 50 33.248 30.439 36.391 1.00 0.00 C ATOM 822 CZ PHE A 50 32.971 29.069 36.520 1.00 0.00 C ATOM 0 H PHE A 50 33.028 29.088 30.477 1.00 0.00 H new ATOM 0 HA PHE A 50 31.786 31.256 32.047 1.00 0.00 H new ATOM 0 HB2 PHE A 50 34.626 30.179 32.189 1.00 0.00 H new ATOM 0 HB3 PHE A 50 34.177 31.771 32.767 1.00 0.00 H new ATOM 0 HD1 PHE A 50 33.210 28.151 33.247 1.00 0.00 H new ATOM 0 HD2 PHE A 50 33.694 32.045 35.020 1.00 0.00 H new ATOM 0 HE1 PHE A 50 32.730 27.193 35.486 1.00 0.00 H new ATOM 0 HE2 PHE A 50 33.275 31.070 37.267 1.00 0.00 H new ATOM 0 HZ PHE A 50 32.775 28.648 37.495 1.00 0.00 H new ATOM 832 N ILE A 51 32.363 32.752 30.103 1.00 0.00 N ATOM 833 CA ILE A 51 32.630 33.657 28.973 1.00 0.00 C ATOM 834 C ILE A 51 32.514 35.115 29.423 1.00 0.00 C ATOM 835 O ILE A 51 31.455 35.544 29.876 1.00 0.00 O ATOM 836 CB ILE A 51 31.701 33.365 27.768 1.00 0.00 C ATOM 837 CG1 ILE A 51 31.787 31.904 27.258 1.00 0.00 C ATOM 838 CG2 ILE A 51 32.064 34.335 26.630 1.00 0.00 C ATOM 839 CD1 ILE A 51 30.684 31.000 27.822 1.00 0.00 C ATOM 0 H ILE A 51 31.557 33.031 30.662 1.00 0.00 H new ATOM 0 HA ILE A 51 33.651 33.479 28.635 1.00 0.00 H new ATOM 0 HB ILE A 51 30.674 33.508 28.103 1.00 0.00 H new ATOM 0 HG12 ILE A 51 31.728 31.902 26.170 1.00 0.00 H new ATOM 0 HG13 ILE A 51 32.759 31.490 27.525 1.00 0.00 H new ATOM 0 HG21 ILE A 51 31.420 34.145 25.771 1.00 0.00 H new ATOM 0 HG22 ILE A 51 31.924 35.362 26.969 1.00 0.00 H new ATOM 0 HG23 ILE A 51 33.105 34.186 26.343 1.00 0.00 H new ATOM 0 HD11 ILE A 51 30.802 29.992 27.425 1.00 0.00 H new ATOM 0 HD12 ILE A 51 30.756 30.973 28.909 1.00 0.00 H new ATOM 0 HD13 ILE A 51 29.709 31.392 27.533 1.00 0.00 H new ATOM 851 N GLU A 52 33.598 35.878 29.306 1.00 0.00 N ATOM 852 CA GLU A 52 33.659 37.300 29.648 1.00 0.00 C ATOM 853 C GLU A 52 33.164 38.187 28.491 1.00 0.00 C ATOM 854 O GLU A 52 33.629 38.046 27.357 1.00 0.00 O ATOM 855 CB GLU A 52 35.098 37.654 30.057 1.00 0.00 C ATOM 856 CG GLU A 52 35.216 39.098 30.549 1.00 0.00 C ATOM 857 CD GLU A 52 36.610 39.409 31.130 1.00 0.00 C ATOM 858 OE1 GLU A 52 37.639 39.087 30.488 1.00 0.00 O ATOM 859 OE2 GLU A 52 36.668 39.999 32.237 1.00 0.00 O ATOM 0 H GLU A 52 34.486 35.514 28.960 1.00 0.00 H new ATOM 0 HA GLU A 52 32.990 37.493 30.487 1.00 0.00 H new ATOM 0 HB2 GLU A 52 35.429 36.975 30.843 1.00 0.00 H new ATOM 0 HB3 GLU A 52 35.763 37.505 29.207 1.00 0.00 H new ATOM 0 HG2 GLU A 52 35.010 39.778 29.723 1.00 0.00 H new ATOM 0 HG3 GLU A 52 34.458 39.282 31.311 1.00 0.00 H new ATOM 866 N PHE A 53 32.262 39.128 28.781 1.00 0.00 N ATOM 867 CA PHE A 53 31.755 40.145 27.856 1.00 0.00 C ATOM 868 C PHE A 53 32.281 41.552 28.202 1.00 0.00 C ATOM 869 O PHE A 53 32.525 41.888 29.363 1.00 0.00 O ATOM 870 CB PHE A 53 30.215 40.166 27.891 1.00 0.00 C ATOM 871 CG PHE A 53 29.497 39.176 26.992 1.00 0.00 C ATOM 872 CD1 PHE A 53 29.555 39.337 25.594 1.00 0.00 C ATOM 873 CD2 PHE A 53 28.673 38.175 27.544 1.00 0.00 C ATOM 874 CE1 PHE A 53 28.784 38.517 24.753 1.00 0.00 C ATOM 875 CE2 PHE A 53 27.901 37.357 26.699 1.00 0.00 C ATOM 876 CZ PHE A 53 27.947 37.533 25.305 1.00 0.00 C ATOM 0 H PHE A 53 31.846 39.205 29.709 1.00 0.00 H new ATOM 0 HA PHE A 53 32.109 39.881 26.859 1.00 0.00 H new ATOM 0 HB2 PHE A 53 29.896 39.986 28.918 1.00 0.00 H new ATOM 0 HB3 PHE A 53 29.883 41.169 27.625 1.00 0.00 H new ATOM 0 HD1 PHE A 53 30.195 40.094 25.166 1.00 0.00 H new ATOM 0 HD2 PHE A 53 28.634 38.036 28.614 1.00 0.00 H new ATOM 0 HE1 PHE A 53 28.835 38.643 23.682 1.00 0.00 H new ATOM 0 HE2 PHE A 53 27.270 36.590 27.123 1.00 0.00 H new ATOM 0 HZ PHE A 53 27.341 36.914 24.660 1.00 0.00 H new ATOM 886 N GLU A 54 32.377 42.412 27.190 1.00 0.00 N ATOM 887 CA GLU A 54 32.446 43.874 27.350 1.00 0.00 C ATOM 888 C GLU A 54 31.073 44.486 27.713 1.00 0.00 C ATOM 889 O GLU A 54 30.986 45.433 28.497 1.00 0.00 O ATOM 890 CB GLU A 54 32.968 44.454 26.022 1.00 0.00 C ATOM 891 CG GLU A 54 33.049 45.985 25.908 1.00 0.00 C ATOM 892 CD GLU A 54 34.163 46.652 26.744 1.00 0.00 C ATOM 893 OE1 GLU A 54 34.744 46.023 27.658 1.00 0.00 O ATOM 894 OE2 GLU A 54 34.470 47.842 26.477 1.00 0.00 O ATOM 0 H GLU A 54 32.410 42.113 26.215 1.00 0.00 H new ATOM 0 HA GLU A 54 33.114 44.121 28.175 1.00 0.00 H new ATOM 0 HB2 GLU A 54 33.964 44.049 25.845 1.00 0.00 H new ATOM 0 HB3 GLU A 54 32.328 44.089 25.219 1.00 0.00 H new ATOM 0 HG2 GLU A 54 33.197 46.247 24.860 1.00 0.00 H new ATOM 0 HG3 GLU A 54 32.090 46.406 26.209 1.00 0.00 H new ATOM 901 N ASP A 55 29.998 43.949 27.127 1.00 0.00 N ATOM 902 CA ASP A 55 28.618 44.461 27.194 1.00 0.00 C ATOM 903 C ASP A 55 27.768 43.862 28.340 1.00 0.00 C ATOM 904 O ASP A 55 28.168 42.900 28.998 1.00 0.00 O ATOM 905 CB ASP A 55 27.948 44.232 25.826 1.00 0.00 C ATOM 906 CG ASP A 55 28.763 44.843 24.675 1.00 0.00 C ATOM 907 OD1 ASP A 55 28.606 46.061 24.412 1.00 0.00 O ATOM 908 OD2 ASP A 55 29.558 44.110 24.041 1.00 0.00 O ATOM 0 H ASP A 55 30.066 43.102 26.563 1.00 0.00 H new ATOM 0 HA ASP A 55 28.675 45.524 27.426 1.00 0.00 H new ATOM 0 HB2 ASP A 55 27.827 43.162 25.656 1.00 0.00 H new ATOM 0 HB3 ASP A 55 26.949 44.668 25.834 1.00 0.00 H new ATOM 913 N ALA A 56 26.570 44.428 28.556 1.00 0.00 N ATOM 914 CA ALA A 56 25.594 43.966 29.555 1.00 0.00 C ATOM 915 C ALA A 56 24.172 43.803 28.977 1.00 0.00 C ATOM 916 O ALA A 56 23.723 42.673 28.783 1.00 0.00 O ATOM 917 CB ALA A 56 25.653 44.885 30.785 1.00 0.00 C ATOM 0 H ALA A 56 26.246 45.239 28.028 1.00 0.00 H new ATOM 0 HA ALA A 56 25.868 42.959 29.871 1.00 0.00 H new ATOM 0 HB1 ALA A 56 24.931 44.546 31.528 1.00 0.00 H new ATOM 0 HB2 ALA A 56 26.655 44.856 31.213 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.415 45.906 30.488 1.00 0.00 H new ATOM 923 N ARG A 57 23.464 44.900 28.645 1.00 0.00 N ATOM 924 CA ARG A 57 22.079 44.833 28.115 1.00 0.00 C ATOM 925 C ARG A 57 21.999 44.123 26.759 1.00 0.00 C ATOM 926 O ARG A 57 21.072 43.352 26.517 1.00 0.00 O ATOM 927 CB ARG A 57 21.434 46.226 27.979 1.00 0.00 C ATOM 928 CG ARG A 57 21.095 46.954 29.289 1.00 0.00 C ATOM 929 CD ARG A 57 22.267 47.767 29.867 1.00 0.00 C ATOM 930 NE ARG A 57 21.796 48.856 30.749 1.00 0.00 N ATOM 931 CZ ARG A 57 21.327 50.039 30.379 1.00 0.00 C ATOM 932 NH1 ARG A 57 21.210 50.385 29.127 1.00 0.00 N ATOM 933 NH2 ARG A 57 20.960 50.913 31.271 1.00 0.00 N ATOM 0 H ARG A 57 23.826 45.849 28.733 1.00 0.00 H new ATOM 0 HA ARG A 57 21.526 44.251 28.852 1.00 0.00 H new ATOM 0 HB2 ARG A 57 22.107 46.859 27.401 1.00 0.00 H new ATOM 0 HB3 ARG A 57 20.517 46.123 27.399 1.00 0.00 H new ATOM 0 HG2 ARG A 57 20.252 47.622 29.115 1.00 0.00 H new ATOM 0 HG3 ARG A 57 20.773 46.221 30.029 1.00 0.00 H new ATOM 0 HD2 ARG A 57 22.927 47.105 30.427 1.00 0.00 H new ATOM 0 HD3 ARG A 57 22.855 48.188 29.051 1.00 0.00 H new ATOM 0 HE ARG A 57 21.836 48.677 31.752 1.00 0.00 H new ATOM 0 HH11 ARG A 57 21.484 49.735 28.390 1.00 0.00 H new ATOM 0 HH12 ARG A 57 20.844 51.306 28.884 1.00 0.00 H new ATOM 0 HH21 ARG A 57 21.032 50.690 32.264 1.00 0.00 H new ATOM 0 HH22 ARG A 57 20.600 51.821 30.977 1.00 0.00 H new ATOM 947 N ASP A 58 22.973 44.365 25.883 1.00 0.00 N ATOM 948 CA ASP A 58 23.043 43.732 24.557 1.00 0.00 C ATOM 949 C ASP A 58 23.406 42.236 24.671 1.00 0.00 C ATOM 950 O ASP A 58 22.790 41.385 24.026 1.00 0.00 O ATOM 951 CB ASP A 58 24.044 44.517 23.691 1.00 0.00 C ATOM 952 CG ASP A 58 23.844 44.361 22.169 1.00 0.00 C ATOM 953 OD1 ASP A 58 22.825 43.790 21.712 1.00 0.00 O ATOM 954 OD2 ASP A 58 24.687 44.905 21.410 1.00 0.00 O ATOM 0 H ASP A 58 23.742 45.008 26.070 1.00 0.00 H new ATOM 0 HA ASP A 58 22.066 43.766 24.076 1.00 0.00 H new ATOM 0 HB2 ASP A 58 23.973 45.574 23.946 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.054 44.195 23.946 1.00 0.00 H new ATOM 959 N ALA A 59 24.324 41.892 25.583 1.00 0.00 N ATOM 960 CA ALA A 59 24.676 40.506 25.907 1.00 0.00 C ATOM 961 C ALA A 59 23.491 39.721 26.510 1.00 0.00 C ATOM 962 O ALA A 59 23.331 38.526 26.244 1.00 0.00 O ATOM 963 CB ALA A 59 25.882 40.529 26.856 1.00 0.00 C ATOM 0 H ALA A 59 24.850 42.579 26.123 1.00 0.00 H new ATOM 0 HA ALA A 59 24.935 39.979 24.988 1.00 0.00 H new ATOM 0 HB1 ALA A 59 26.163 39.507 27.112 1.00 0.00 H new ATOM 0 HB2 ALA A 59 26.721 41.024 26.367 1.00 0.00 H new ATOM 0 HB3 ALA A 59 25.620 41.072 27.764 1.00 0.00 H new ATOM 969 N ALA A 60 22.619 40.387 27.275 1.00 0.00 N ATOM 970 CA ALA A 60 21.422 39.786 27.865 1.00 0.00 C ATOM 971 C ALA A 60 20.373 39.322 26.830 1.00 0.00 C ATOM 972 O ALA A 60 19.517 38.506 27.171 1.00 0.00 O ATOM 973 CB ALA A 60 20.824 40.764 28.886 1.00 0.00 C ATOM 0 H ALA A 60 22.729 41.375 27.504 1.00 0.00 H new ATOM 0 HA ALA A 60 21.730 38.868 28.366 1.00 0.00 H new ATOM 0 HB1 ALA A 60 19.931 40.325 29.331 1.00 0.00 H new ATOM 0 HB2 ALA A 60 21.556 40.967 29.667 1.00 0.00 H new ATOM 0 HB3 ALA A 60 20.559 41.695 28.386 1.00 0.00 H new ATOM 979 N ASP A 61 20.450 39.756 25.565 1.00 0.00 N ATOM 980 CA ASP A 61 19.599 39.250 24.475 1.00 0.00 C ATOM 981 C ASP A 61 19.830 37.747 24.190 1.00 0.00 C ATOM 982 O ASP A 61 18.893 37.044 23.805 1.00 0.00 O ATOM 983 CB ASP A 61 19.830 40.105 23.217 1.00 0.00 C ATOM 984 CG ASP A 61 18.957 39.694 22.020 1.00 0.00 C ATOM 985 OD1 ASP A 61 17.712 39.635 22.174 1.00 0.00 O ATOM 986 OD2 ASP A 61 19.515 39.482 20.912 1.00 0.00 O ATOM 0 H ASP A 61 21.109 40.474 25.265 1.00 0.00 H new ATOM 0 HA ASP A 61 18.558 39.336 24.786 1.00 0.00 H new ATOM 0 HB2 ASP A 61 19.632 41.150 23.457 1.00 0.00 H new ATOM 0 HB3 ASP A 61 20.879 40.037 22.930 1.00 0.00 H new ATOM 991 N ALA A 62 21.038 37.226 24.452 1.00 0.00 N ATOM 992 CA ALA A 62 21.290 35.782 24.500 1.00 0.00 C ATOM 993 C ALA A 62 20.719 35.168 25.790 1.00 0.00 C ATOM 994 O ALA A 62 19.994 34.175 25.752 1.00 0.00 O ATOM 995 CB ALA A 62 22.799 35.511 24.407 1.00 0.00 C ATOM 0 H ALA A 62 21.865 37.794 24.636 1.00 0.00 H new ATOM 0 HA ALA A 62 20.789 35.316 23.651 1.00 0.00 H new ATOM 0 HB1 ALA A 62 22.979 34.437 24.443 1.00 0.00 H new ATOM 0 HB2 ALA A 62 23.184 35.912 23.469 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.307 35.992 25.243 1.00 0.00 H new ATOM 1001 N ILE A 63 21.025 35.774 26.942 1.00 0.00 N ATOM 1002 CA ILE A 63 20.713 35.216 28.267 1.00 0.00 C ATOM 1003 C ILE A 63 19.203 35.020 28.483 1.00 0.00 C ATOM 1004 O ILE A 63 18.801 33.980 29.002 1.00 0.00 O ATOM 1005 CB ILE A 63 21.420 36.058 29.364 1.00 0.00 C ATOM 1006 CG1 ILE A 63 22.358 35.177 30.215 1.00 0.00 C ATOM 1007 CG2 ILE A 63 20.490 36.915 30.242 1.00 0.00 C ATOM 1008 CD1 ILE A 63 21.667 34.161 31.132 1.00 0.00 C ATOM 0 H ILE A 63 21.501 36.675 26.984 1.00 0.00 H new ATOM 0 HA ILE A 63 21.114 34.205 28.336 1.00 0.00 H new ATOM 0 HB ILE A 63 22.014 36.790 28.817 1.00 0.00 H new ATOM 0 HG12 ILE A 63 23.027 34.637 29.544 1.00 0.00 H new ATOM 0 HG13 ILE A 63 22.980 35.828 30.829 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.083 37.462 30.974 1.00 0.00 H new ATOM 0 HG22 ILE A 63 19.946 37.621 29.615 1.00 0.00 H new ATOM 0 HG23 ILE A 63 19.781 36.269 30.759 1.00 0.00 H new ATOM 0 HD11 ILE A 63 22.420 33.597 31.682 1.00 0.00 H new ATOM 0 HD12 ILE A 63 21.021 34.686 31.835 1.00 0.00 H new ATOM 0 HD13 ILE A 63 21.068 33.477 30.531 1.00 0.00 H new ATOM 1020 N LYS A 64 18.352 35.935 27.994 1.00 0.00 N ATOM 1021 CA LYS A 64 16.880 35.804 28.050 1.00 0.00 C ATOM 1022 C LYS A 64 16.303 34.703 27.145 1.00 0.00 C ATOM 1023 O LYS A 64 15.117 34.393 27.230 1.00 0.00 O ATOM 1024 CB LYS A 64 16.223 37.181 27.837 1.00 0.00 C ATOM 1025 CG LYS A 64 16.350 37.807 26.434 1.00 0.00 C ATOM 1026 CD LYS A 64 15.314 37.302 25.414 1.00 0.00 C ATOM 1027 CE LYS A 64 15.380 38.080 24.093 1.00 0.00 C ATOM 1028 NZ LYS A 64 14.847 39.464 24.215 1.00 0.00 N ATOM 0 H LYS A 64 18.664 36.795 27.544 1.00 0.00 H new ATOM 0 HA LYS A 64 16.627 35.455 29.051 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.163 37.091 28.073 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.652 37.876 28.558 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.256 38.889 26.523 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.349 37.604 26.049 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.483 36.243 25.220 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.314 37.392 25.838 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.414 38.122 23.752 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.815 37.543 23.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.868 39.927 23.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.867 39.429 24.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.433 40.004 24.884 1.00 0.00 H new ATOM 1042 N GLU A 65 17.126 34.115 26.276 1.00 0.00 N ATOM 1043 CA GLU A 65 16.811 32.938 25.448 1.00 0.00 C ATOM 1044 C GLU A 65 17.365 31.636 26.070 1.00 0.00 C ATOM 1045 O GLU A 65 16.765 30.571 25.898 1.00 0.00 O ATOM 1046 CB GLU A 65 17.263 33.223 23.994 1.00 0.00 C ATOM 1047 CG GLU A 65 18.314 32.296 23.354 1.00 0.00 C ATOM 1048 CD GLU A 65 17.775 30.951 22.817 1.00 0.00 C ATOM 1049 OE1 GLU A 65 16.564 30.825 22.510 1.00 0.00 O ATOM 1050 OE2 GLU A 65 18.600 30.020 22.643 1.00 0.00 O ATOM 0 H GLU A 65 18.074 34.457 26.119 1.00 0.00 H new ATOM 0 HA GLU A 65 15.736 32.763 25.416 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.375 33.204 23.362 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.655 34.240 23.962 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.792 32.830 22.533 1.00 0.00 H new ATOM 0 HG3 GLU A 65 19.088 32.088 24.093 1.00 0.00 H new ATOM 1057 N LYS A 66 18.469 31.708 26.836 1.00 0.00 N ATOM 1058 CA LYS A 66 19.073 30.568 27.559 1.00 0.00 C ATOM 1059 C LYS A 66 18.472 30.303 28.950 1.00 0.00 C ATOM 1060 O LYS A 66 18.616 29.190 29.459 1.00 0.00 O ATOM 1061 CB LYS A 66 20.599 30.758 27.676 1.00 0.00 C ATOM 1062 CG LYS A 66 21.356 30.959 26.348 1.00 0.00 C ATOM 1063 CD LYS A 66 21.045 29.899 25.284 1.00 0.00 C ATOM 1064 CE LYS A 66 21.800 30.211 23.986 1.00 0.00 C ATOM 1065 NZ LYS A 66 21.294 29.380 22.865 1.00 0.00 N ATOM 0 H LYS A 66 18.980 32.580 26.974 1.00 0.00 H new ATOM 0 HA LYS A 66 18.841 29.688 26.960 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.790 31.620 28.315 1.00 0.00 H new ATOM 0 HB3 LYS A 66 21.016 29.887 28.182 1.00 0.00 H new ATOM 0 HG2 LYS A 66 21.111 31.943 25.948 1.00 0.00 H new ATOM 0 HG3 LYS A 66 22.427 30.954 26.548 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.329 28.912 25.650 1.00 0.00 H new ATOM 0 HD3 LYS A 66 19.973 29.871 25.091 1.00 0.00 H new ATOM 0 HE2 LYS A 66 21.688 31.267 23.740 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.865 30.028 24.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.642 29.764 21.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.631 28.403 22.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.254 29.390 22.867 1.00 0.00 H new ATOM 1079 N ASP A 67 17.845 31.299 29.578 1.00 0.00 N ATOM 1080 CA ASP A 67 17.343 31.230 30.964 1.00 0.00 C ATOM 1081 C ASP A 67 16.222 30.188 31.207 1.00 0.00 C ATOM 1082 O ASP A 67 15.735 29.510 30.295 1.00 0.00 O ATOM 1083 CB ASP A 67 16.945 32.635 31.465 1.00 0.00 C ATOM 1084 CG ASP A 67 15.682 33.263 30.845 1.00 0.00 C ATOM 1085 OD1 ASP A 67 14.973 32.620 30.033 1.00 0.00 O ATOM 1086 OD2 ASP A 67 15.364 34.419 31.218 1.00 0.00 O ATOM 0 H ASP A 67 17.665 32.199 29.133 1.00 0.00 H new ATOM 0 HA ASP A 67 18.177 30.860 31.560 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.803 32.583 32.544 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.782 33.309 31.286 1.00 0.00 H new ATOM 1091 N GLY A 68 15.839 30.034 32.482 1.00 0.00 N ATOM 1092 CA GLY A 68 15.023 28.921 32.976 1.00 0.00 C ATOM 1093 C GLY A 68 15.911 27.740 33.379 1.00 0.00 C ATOM 1094 O GLY A 68 15.955 26.722 32.684 1.00 0.00 O ATOM 0 H GLY A 68 16.095 30.697 33.214 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.432 29.248 33.832 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.320 28.608 32.204 1.00 0.00 H new ATOM 1098 N CYS A 69 16.653 27.905 34.478 1.00 0.00 N ATOM 1099 CA CYS A 69 17.589 26.906 35.001 1.00 0.00 C ATOM 1100 C CYS A 69 16.890 25.574 35.340 1.00 0.00 C ATOM 1101 O CYS A 69 15.743 25.546 35.798 1.00 0.00 O ATOM 1102 CB CYS A 69 18.352 27.500 36.200 1.00 0.00 C ATOM 1103 SG CYS A 69 17.224 28.019 37.533 1.00 0.00 S ATOM 0 H CYS A 69 16.619 28.755 35.041 1.00 0.00 H new ATOM 0 HA CYS A 69 18.312 26.659 34.224 1.00 0.00 H new ATOM 0 HB2 CYS A 69 19.054 26.761 36.586 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.940 28.356 35.868 1.00 0.00 H new ATOM 0 HG CYS A 69 17.914 28.510 38.519 1.00 0.00 H new ATOM 1109 N ASP A 70 17.583 24.458 35.098 1.00 0.00 N ATOM 1110 CA ASP A 70 16.985 23.119 35.049 1.00 0.00 C ATOM 1111 C ASP A 70 17.829 22.078 35.803 1.00 0.00 C ATOM 1112 O ASP A 70 19.049 21.993 35.622 1.00 0.00 O ATOM 1113 CB ASP A 70 16.762 22.743 33.569 1.00 0.00 C ATOM 1114 CG ASP A 70 15.559 21.819 33.325 1.00 0.00 C ATOM 1115 OD1 ASP A 70 14.908 21.359 34.292 1.00 0.00 O ATOM 1116 OD2 ASP A 70 15.266 21.539 32.138 1.00 0.00 O ATOM 0 H ASP A 70 18.589 24.458 34.928 1.00 0.00 H new ATOM 0 HA ASP A 70 16.024 23.129 35.564 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.626 23.657 32.991 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.661 22.257 33.190 1.00 0.00 H new ATOM 1121 N PHE A 71 17.166 21.309 36.672 1.00 0.00 N ATOM 1122 CA PHE A 71 17.762 20.441 37.697 1.00 0.00 C ATOM 1123 C PHE A 71 16.849 19.233 38.012 1.00 0.00 C ATOM 1124 O PHE A 71 15.750 19.123 37.468 1.00 0.00 O ATOM 1125 CB PHE A 71 18.068 21.286 38.949 1.00 0.00 C ATOM 1126 CG PHE A 71 16.857 21.809 39.706 1.00 0.00 C ATOM 1127 CD1 PHE A 71 16.200 22.981 39.280 1.00 0.00 C ATOM 1128 CD2 PHE A 71 16.396 21.134 40.855 1.00 0.00 C ATOM 1129 CE1 PHE A 71 15.077 23.459 39.982 1.00 0.00 C ATOM 1130 CE2 PHE A 71 15.272 21.611 41.555 1.00 0.00 C ATOM 1131 CZ PHE A 71 14.611 22.773 41.119 1.00 0.00 C ATOM 0 H PHE A 71 16.147 21.272 36.682 1.00 0.00 H new ATOM 0 HA PHE A 71 18.696 20.022 37.324 1.00 0.00 H new ATOM 0 HB2 PHE A 71 18.668 20.685 39.632 1.00 0.00 H new ATOM 0 HB3 PHE A 71 18.681 22.136 38.650 1.00 0.00 H new ATOM 0 HD1 PHE A 71 16.559 23.514 38.412 1.00 0.00 H new ATOM 0 HD2 PHE A 71 16.908 20.247 41.199 1.00 0.00 H new ATOM 0 HE1 PHE A 71 14.572 24.353 39.647 1.00 0.00 H new ATOM 0 HE2 PHE A 71 14.917 21.084 42.428 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.748 23.138 41.655 1.00 0.00 H new ATOM 1141 N GLU A 72 17.298 18.325 38.893 1.00 0.00 N ATOM 1142 CA GLU A 72 16.573 17.116 39.345 1.00 0.00 C ATOM 1143 C GLU A 72 16.133 16.202 38.179 1.00 0.00 C ATOM 1144 O GLU A 72 14.974 16.177 37.756 1.00 0.00 O ATOM 1145 CB GLU A 72 15.444 17.495 40.327 1.00 0.00 C ATOM 1146 CG GLU A 72 14.850 16.269 41.042 1.00 0.00 C ATOM 1147 CD GLU A 72 13.719 16.638 42.029 1.00 0.00 C ATOM 1148 OE1 GLU A 72 13.822 17.661 42.750 1.00 0.00 O ATOM 1149 OE2 GLU A 72 12.721 15.879 42.114 1.00 0.00 O ATOM 0 H GLU A 72 18.215 18.413 39.331 1.00 0.00 H new ATOM 0 HA GLU A 72 17.270 16.493 39.906 1.00 0.00 H new ATOM 0 HB2 GLU A 72 15.832 18.192 41.070 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.654 18.014 39.784 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.463 15.573 40.298 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.642 15.751 41.582 1.00 0.00 H new ATOM 1156 N GLY A 73 17.100 15.463 37.622 1.00 0.00 N ATOM 1157 CA GLY A 73 16.951 14.616 36.427 1.00 0.00 C ATOM 1158 C GLY A 73 17.327 15.335 35.122 1.00 0.00 C ATOM 1159 O GLY A 73 17.876 14.710 34.212 1.00 0.00 O ATOM 0 H GLY A 73 18.045 15.436 38.004 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.575 13.730 36.538 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.919 14.272 36.360 1.00 0.00 H new ATOM 1163 N ASN A 74 17.116 16.654 35.059 1.00 0.00 N ATOM 1164 CA ASN A 74 17.686 17.543 34.040 1.00 0.00 C ATOM 1165 C ASN A 74 18.993 18.186 34.542 1.00 0.00 C ATOM 1166 O ASN A 74 19.199 18.310 35.752 1.00 0.00 O ATOM 1167 CB ASN A 74 16.648 18.612 33.662 1.00 0.00 C ATOM 1168 CG ASN A 74 15.321 18.049 33.165 1.00 0.00 C ATOM 1169 OD1 ASN A 74 15.235 16.990 32.554 1.00 0.00 O ATOM 1170 ND2 ASN A 74 14.236 18.744 33.411 1.00 0.00 N ATOM 0 H ASN A 74 16.529 17.146 35.733 1.00 0.00 H new ATOM 0 HA ASN A 74 17.933 16.961 33.152 1.00 0.00 H new ATOM 0 HB2 ASN A 74 16.459 19.242 34.531 1.00 0.00 H new ATOM 0 HB3 ASN A 74 17.070 19.254 32.888 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.329 18.402 33.094 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.300 19.626 33.919 1.00 0.00 H new ATOM 1177 N LYS A 75 19.870 18.606 33.621 1.00 0.00 N ATOM 1178 CA LYS A 75 21.148 19.289 33.914 1.00 0.00 C ATOM 1179 C LYS A 75 21.379 20.439 32.925 1.00 0.00 C ATOM 1180 O LYS A 75 21.949 20.243 31.849 1.00 0.00 O ATOM 1181 CB LYS A 75 22.324 18.279 33.908 1.00 0.00 C ATOM 1182 CG LYS A 75 22.594 17.618 35.270 1.00 0.00 C ATOM 1183 CD LYS A 75 21.761 16.356 35.556 1.00 0.00 C ATOM 1184 CE LYS A 75 21.317 16.279 37.027 1.00 0.00 C ATOM 1185 NZ LYS A 75 22.463 16.102 37.962 1.00 0.00 N ATOM 0 H LYS A 75 19.710 18.479 32.622 1.00 0.00 H new ATOM 0 HA LYS A 75 21.095 19.719 34.914 1.00 0.00 H new ATOM 0 HB2 LYS A 75 22.116 17.501 33.174 1.00 0.00 H new ATOM 0 HB3 LYS A 75 23.228 18.793 33.580 1.00 0.00 H new ATOM 0 HG2 LYS A 75 23.651 17.358 35.328 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.402 18.348 36.056 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.882 16.348 34.911 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.347 15.471 35.307 1.00 0.00 H new ATOM 0 HE2 LYS A 75 20.777 17.189 37.288 1.00 0.00 H new ATOM 0 HE3 LYS A 75 20.621 15.449 37.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 22.110 16.056 38.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.965 15.220 37.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.116 16.906 37.867 1.00 0.00 H new ATOM 1199 N LEU A 76 20.896 21.634 33.276 1.00 0.00 N ATOM 1200 CA LEU A 76 21.060 22.864 32.485 1.00 0.00 C ATOM 1201 C LEU A 76 20.858 24.112 33.371 1.00 0.00 C ATOM 1202 O LEU A 76 19.831 24.792 33.312 1.00 0.00 O ATOM 1203 CB LEU A 76 20.117 22.813 31.249 1.00 0.00 C ATOM 1204 CG LEU A 76 20.879 22.937 29.917 1.00 0.00 C ATOM 1205 CD1 LEU A 76 19.937 22.662 28.745 1.00 0.00 C ATOM 1206 CD2 LEU A 76 21.487 24.331 29.730 1.00 0.00 C ATOM 0 H LEU A 76 20.368 21.780 34.136 1.00 0.00 H new ATOM 0 HA LEU A 76 22.079 22.936 32.105 1.00 0.00 H new ATOM 0 HB2 LEU A 76 19.561 21.875 31.259 1.00 0.00 H new ATOM 0 HB3 LEU A 76 19.386 23.618 31.321 1.00 0.00 H new ATOM 0 HG LEU A 76 21.685 22.204 29.944 1.00 0.00 H new ATOM 0 HD11 LEU A 76 20.486 22.752 27.808 1.00 0.00 H new ATOM 0 HD12 LEU A 76 19.532 21.654 28.833 1.00 0.00 H new ATOM 0 HD13 LEU A 76 19.120 23.383 28.758 1.00 0.00 H new ATOM 0 HD21 LEU A 76 22.015 24.373 28.777 1.00 0.00 H new ATOM 0 HD22 LEU A 76 20.693 25.078 29.738 1.00 0.00 H new ATOM 0 HD23 LEU A 76 22.186 24.535 30.541 1.00 0.00 H new ATOM 1218 N ARG A 77 21.829 24.414 34.241 1.00 0.00 N ATOM 1219 CA ARG A 77 21.817 25.644 35.054 1.00 0.00 C ATOM 1220 C ARG A 77 22.327 26.835 34.238 1.00 0.00 C ATOM 1221 O ARG A 77 23.361 26.738 33.585 1.00 0.00 O ATOM 1222 CB ARG A 77 22.600 25.424 36.360 1.00 0.00 C ATOM 1223 CG ARG A 77 22.660 26.695 37.227 1.00 0.00 C ATOM 1224 CD ARG A 77 23.038 26.387 38.681 1.00 0.00 C ATOM 1225 NE ARG A 77 21.905 25.789 39.417 1.00 0.00 N ATOM 1226 CZ ARG A 77 20.953 26.430 40.074 1.00 0.00 C ATOM 1227 NH1 ARG A 77 20.976 27.721 40.252 1.00 0.00 N ATOM 1228 NH2 ARG A 77 19.948 25.775 40.583 1.00 0.00 N ATOM 0 H ARG A 77 22.642 23.819 34.403 1.00 0.00 H new ATOM 0 HA ARG A 77 20.792 25.884 35.338 1.00 0.00 H new ATOM 0 HB2 ARG A 77 22.134 24.620 36.930 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.614 25.100 36.123 1.00 0.00 H new ATOM 0 HG2 ARG A 77 23.387 27.388 36.803 1.00 0.00 H new ATOM 0 HG3 ARG A 77 21.692 27.195 37.203 1.00 0.00 H new ATOM 0 HD2 ARG A 77 23.888 25.705 38.701 1.00 0.00 H new ATOM 0 HD3 ARG A 77 23.354 27.304 39.179 1.00 0.00 H new ATOM 0 HE ARG A 77 21.851 24.770 39.419 1.00 0.00 H new ATOM 0 HH11 ARG A 77 21.748 28.274 39.879 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.222 28.179 40.765 1.00 0.00 H new ATOM 0 HH21 ARG A 77 19.893 24.762 40.476 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.217 26.275 41.089 1.00 0.00 H new ATOM 1242 N VAL A 78 21.630 27.966 34.314 1.00 0.00 N ATOM 1243 CA VAL A 78 21.972 29.238 33.651 1.00 0.00 C ATOM 1244 C VAL A 78 21.773 30.382 34.647 1.00 0.00 C ATOM 1245 O VAL A 78 20.743 30.444 35.323 1.00 0.00 O ATOM 1246 CB VAL A 78 21.123 29.435 32.374 1.00 0.00 C ATOM 1247 CG1 VAL A 78 21.242 30.849 31.793 1.00 0.00 C ATOM 1248 CG2 VAL A 78 21.561 28.465 31.273 1.00 0.00 C ATOM 0 H VAL A 78 20.772 28.032 34.862 1.00 0.00 H new ATOM 0 HA VAL A 78 23.016 29.224 33.336 1.00 0.00 H new ATOM 0 HB VAL A 78 20.093 29.253 32.681 1.00 0.00 H new ATOM 0 HG11 VAL A 78 20.625 30.928 30.898 1.00 0.00 H new ATOM 0 HG12 VAL A 78 20.904 31.576 32.532 1.00 0.00 H new ATOM 0 HG13 VAL A 78 22.282 31.050 31.535 1.00 0.00 H new ATOM 0 HG21 VAL A 78 20.949 28.623 30.385 1.00 0.00 H new ATOM 0 HG22 VAL A 78 22.608 28.641 31.028 1.00 0.00 H new ATOM 0 HG23 VAL A 78 21.438 27.440 31.621 1.00 0.00 H new ATOM 1258 N GLU A 79 22.757 31.274 34.757 1.00 0.00 N ATOM 1259 CA GLU A 79 22.769 32.386 35.722 1.00 0.00 C ATOM 1260 C GLU A 79 23.602 33.567 35.178 1.00 0.00 C ATOM 1261 O GLU A 79 24.505 33.388 34.357 1.00 0.00 O ATOM 1262 CB GLU A 79 23.192 31.845 37.112 1.00 0.00 C ATOM 1263 CG GLU A 79 24.328 32.545 37.875 1.00 0.00 C ATOM 1264 CD GLU A 79 23.976 33.907 38.497 1.00 0.00 C ATOM 1265 OE1 GLU A 79 22.796 34.335 38.453 1.00 0.00 O ATOM 1266 OE2 GLU A 79 24.912 34.549 39.024 1.00 0.00 O ATOM 0 H GLU A 79 23.589 31.248 34.167 1.00 0.00 H new ATOM 0 HA GLU A 79 21.773 32.806 35.860 1.00 0.00 H new ATOM 0 HB2 GLU A 79 22.310 31.859 37.752 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.477 30.801 36.985 1.00 0.00 H new ATOM 0 HG2 GLU A 79 24.670 31.881 38.669 1.00 0.00 H new ATOM 0 HG3 GLU A 79 25.167 32.684 37.193 1.00 0.00 H new ATOM 1273 N VAL A 80 23.269 34.789 35.607 1.00 0.00 N ATOM 1274 CA VAL A 80 23.785 36.043 35.037 1.00 0.00 C ATOM 1275 C VAL A 80 24.067 37.097 36.128 1.00 0.00 C ATOM 1276 O VAL A 80 23.135 37.716 36.645 1.00 0.00 O ATOM 1277 CB VAL A 80 22.855 36.543 33.909 1.00 0.00 C ATOM 1278 CG1 VAL A 80 21.372 36.712 34.271 1.00 0.00 C ATOM 1279 CG2 VAL A 80 23.366 37.853 33.309 1.00 0.00 C ATOM 0 H VAL A 80 22.618 34.940 36.378 1.00 0.00 H new ATOM 0 HA VAL A 80 24.754 35.849 34.578 1.00 0.00 H new ATOM 0 HB VAL A 80 22.892 35.730 33.184 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.823 37.067 33.399 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.964 35.753 34.591 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.275 37.436 35.080 1.00 0.00 H new ATOM 0 HG21 VAL A 80 22.690 38.179 32.518 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.410 38.616 34.086 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.362 37.699 32.894 1.00 0.00 H new ATOM 1289 N PRO A 81 25.344 37.362 36.476 1.00 0.00 N ATOM 1290 CA PRO A 81 25.704 38.418 37.425 1.00 0.00 C ATOM 1291 C PRO A 81 25.533 39.833 36.840 1.00 0.00 C ATOM 1292 O PRO A 81 25.293 40.779 37.589 1.00 0.00 O ATOM 1293 CB PRO A 81 27.159 38.131 37.806 1.00 0.00 C ATOM 1294 CG PRO A 81 27.731 37.435 36.573 1.00 0.00 C ATOM 1295 CD PRO A 81 26.537 36.638 36.048 1.00 0.00 C ATOM 0 HA PRO A 81 25.043 38.407 38.292 1.00 0.00 H new ATOM 0 HB2 PRO A 81 27.701 39.049 38.034 1.00 0.00 H new ATOM 0 HB3 PRO A 81 27.223 37.495 38.689 1.00 0.00 H new ATOM 0 HG2 PRO A 81 28.094 38.152 35.836 1.00 0.00 H new ATOM 0 HG3 PRO A 81 28.570 36.787 36.827 1.00 0.00 H new ATOM 0 HD2 PRO A 81 26.572 36.554 34.962 1.00 0.00 H new ATOM 0 HD3 PRO A 81 26.541 35.624 36.447 1.00 0.00 H new ATOM 1303 N PHE A 82 25.603 39.989 35.508 1.00 0.00 N ATOM 1304 CA PHE A 82 25.407 41.265 34.796 1.00 0.00 C ATOM 1305 C PHE A 82 23.923 41.611 34.527 1.00 0.00 C ATOM 1306 O PHE A 82 23.607 42.344 33.588 1.00 0.00 O ATOM 1307 CB PHE A 82 26.304 41.310 33.543 1.00 0.00 C ATOM 1308 CG PHE A 82 26.001 40.314 32.434 1.00 0.00 C ATOM 1309 CD1 PHE A 82 25.091 40.639 31.408 1.00 0.00 C ATOM 1310 CD2 PHE A 82 26.687 39.084 32.379 1.00 0.00 C ATOM 1311 CE1 PHE A 82 24.860 39.746 30.349 1.00 0.00 C ATOM 1312 CE2 PHE A 82 26.469 38.196 31.308 1.00 0.00 C ATOM 1313 CZ PHE A 82 25.556 38.528 30.293 1.00 0.00 C ATOM 0 H PHE A 82 25.803 39.211 34.879 1.00 0.00 H new ATOM 0 HA PHE A 82 25.728 42.070 35.458 1.00 0.00 H new ATOM 0 HB2 PHE A 82 26.245 42.313 33.121 1.00 0.00 H new ATOM 0 HB3 PHE A 82 27.336 41.158 33.861 1.00 0.00 H new ATOM 0 HD1 PHE A 82 24.567 41.583 31.436 1.00 0.00 H new ATOM 0 HD2 PHE A 82 27.383 38.821 33.162 1.00 0.00 H new ATOM 0 HE1 PHE A 82 24.147 39.996 29.578 1.00 0.00 H new ATOM 0 HE2 PHE A 82 27.004 37.259 31.267 1.00 0.00 H new ATOM 0 HZ PHE A 82 25.390 37.847 29.471 1.00 0.00 H new ATOM 1323 N ASN A 83 22.998 41.107 35.357 1.00 0.00 N ATOM 1324 CA ASN A 83 21.545 41.318 35.238 1.00 0.00 C ATOM 1325 C ASN A 83 21.140 42.813 35.187 1.00 0.00 C ATOM 1326 O ASN A 83 20.126 43.161 34.576 1.00 0.00 O ATOM 1327 CB ASN A 83 20.880 40.589 36.422 1.00 0.00 C ATOM 1328 CG ASN A 83 19.361 40.650 36.373 1.00 0.00 C ATOM 1329 OD1 ASN A 83 18.725 41.434 37.064 1.00 0.00 O ATOM 1330 ND2 ASN A 83 18.733 39.828 35.561 1.00 0.00 N ATOM 0 H ASN A 83 23.247 40.523 36.155 1.00 0.00 H new ATOM 0 HA ASN A 83 21.203 40.912 34.286 1.00 0.00 H new ATOM 0 HB2 ASN A 83 21.197 39.546 36.425 1.00 0.00 H new ATOM 0 HB3 ASN A 83 21.227 41.031 37.356 1.00 0.00 H new ATOM 0 HD21 ASN A 83 17.715 39.844 35.507 1.00 0.00 H new ATOM 0 HD22 ASN A 83 19.264 39.175 34.985 1.00 0.00 H new ATOM 1337 N ALA A 84 21.966 43.690 35.764 1.00 0.00 N ATOM 1338 CA ALA A 84 21.982 45.133 35.522 1.00 0.00 C ATOM 1339 C ALA A 84 23.433 45.642 35.365 1.00 0.00 C ATOM 1340 O ALA A 84 24.379 45.014 35.855 1.00 0.00 O ATOM 1341 CB ALA A 84 21.232 45.837 36.661 1.00 0.00 C ATOM 0 H ALA A 84 22.671 43.400 36.441 1.00 0.00 H new ATOM 0 HA ALA A 84 21.472 45.363 34.586 1.00 0.00 H new ATOM 0 HB1 ALA A 84 21.238 46.913 36.490 1.00 0.00 H new ATOM 0 HB2 ALA A 84 20.202 45.481 36.694 1.00 0.00 H new ATOM 0 HB3 ALA A 84 21.722 45.618 37.610 1.00 0.00 H new ATOM 1347 N ARG A 85 23.610 46.790 34.694 1.00 0.00 N ATOM 1348 CA ARG A 85 24.919 47.444 34.480 1.00 0.00 C ATOM 1349 C ARG A 85 25.552 47.950 35.790 1.00 0.00 C ATOM 1350 O ARG A 85 26.778 47.981 35.916 1.00 0.00 O ATOM 1351 CB ARG A 85 24.730 48.596 33.468 1.00 0.00 C ATOM 1352 CG ARG A 85 26.047 49.276 33.047 1.00 0.00 C ATOM 1353 CD ARG A 85 25.819 50.516 32.175 1.00 0.00 C ATOM 1354 NE ARG A 85 25.389 50.183 30.800 1.00 0.00 N ATOM 1355 CZ ARG A 85 24.922 51.037 29.903 1.00 0.00 C ATOM 1356 NH1 ARG A 85 24.688 52.285 30.194 1.00 0.00 N ATOM 1357 NH2 ARG A 85 24.684 50.653 28.682 1.00 0.00 N ATOM 0 H ARG A 85 22.835 47.303 34.275 1.00 0.00 H new ATOM 0 HA ARG A 85 25.616 46.706 34.083 1.00 0.00 H new ATOM 0 HB2 ARG A 85 24.232 48.208 32.579 1.00 0.00 H new ATOM 0 HB3 ARG A 85 24.068 49.345 33.903 1.00 0.00 H new ATOM 0 HG2 ARG A 85 26.605 49.561 33.939 1.00 0.00 H new ATOM 0 HG3 ARG A 85 26.662 48.561 32.501 1.00 0.00 H new ATOM 0 HD2 ARG A 85 25.065 51.149 32.643 1.00 0.00 H new ATOM 0 HD3 ARG A 85 26.740 51.097 32.131 1.00 0.00 H new ATOM 0 HE ARG A 85 25.459 49.206 30.517 1.00 0.00 H new ATOM 0 HH11 ARG A 85 24.865 52.631 31.137 1.00 0.00 H new ATOM 0 HH12 ARG A 85 24.328 52.917 29.479 1.00 0.00 H new ATOM 0 HH21 ARG A 85 24.857 49.686 28.409 1.00 0.00 H new ATOM 0 HH22 ARG A 85 24.324 51.319 27.999 1.00 0.00 H new ATOM 1371 N GLU A 86 24.720 48.339 36.760 1.00 0.00 N ATOM 1372 CA GLU A 86 25.089 49.001 38.028 1.00 0.00 C ATOM 1373 C GLU A 86 24.226 48.554 39.229 1.00 0.00 C ATOM 1374 O GLU A 86 24.729 48.632 40.374 1.00 0.00 O ATOM 1375 CB GLU A 86 25.053 50.531 37.833 1.00 0.00 C ATOM 1376 CG GLU A 86 23.658 51.103 37.504 1.00 0.00 C ATOM 1377 CD GLU A 86 23.635 52.648 37.392 1.00 0.00 C ATOM 1378 OE1 GLU A 86 24.639 53.271 36.961 1.00 0.00 O ATOM 1379 OE2 GLU A 86 22.587 53.262 37.718 1.00 0.00 O ATOM 1380 OXT GLU A 86 23.068 48.117 39.027 1.00 0.00 O ATOM 0 H GLU A 86 23.713 48.195 36.684 1.00 0.00 H new ATOM 0 HA GLU A 86 26.103 48.691 38.281 1.00 0.00 H new ATOM 0 HB2 GLU A 86 25.423 51.009 38.740 1.00 0.00 H new ATOM 0 HB3 GLU A 86 25.740 50.798 37.030 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.310 50.673 36.565 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.955 50.792 38.277 1.00 0.00 H new TER 1387 GLU A 86 ATOM 1388 O5' A B 101 23.463 25.000 43.340 1.00 0.00 O ATOM 1389 C5' A B 101 23.499 26.307 42.779 1.00 0.00 C ATOM 1390 C4' A B 101 24.740 26.493 41.884 1.00 0.00 C ATOM 1391 O4' A B 101 24.720 27.793 41.290 1.00 0.00 O ATOM 1392 C3' A B 101 26.051 26.390 42.680 1.00 0.00 C ATOM 1393 O3' A B 101 27.086 25.990 41.784 1.00 0.00 O ATOM 1394 C2' A B 101 26.149 27.842 43.180 1.00 0.00 C ATOM 1395 O2' A B 101 27.432 28.256 43.628 1.00 0.00 O ATOM 1396 C1' A B 101 25.707 28.595 41.934 1.00 0.00 C ATOM 1397 N9 A B 101 25.279 29.981 42.251 1.00 0.00 N ATOM 1398 C8 A B 101 26.053 31.116 42.176 1.00 0.00 C ATOM 1399 N7 A B 101 25.424 32.228 42.453 1.00 0.00 N ATOM 1400 C5 A B 101 24.117 31.789 42.714 1.00 0.00 C ATOM 1401 C6 A B 101 22.899 32.435 43.050 1.00 0.00 C ATOM 1402 N6 A B 101 22.745 33.741 43.183 1.00 0.00 N ATOM 1403 N1 A B 101 21.771 31.748 43.229 1.00 0.00 N ATOM 1404 C2 A B 101 21.832 30.430 43.098 1.00 0.00 C ATOM 1405 N3 A B 101 22.885 29.682 42.788 1.00 0.00 N ATOM 1406 C4 A B 101 24.017 30.424 42.604 1.00 0.00 C ATOM 0 H5' A B 101 23.508 27.049 43.578 1.00 0.00 H new ATOM 0 H5'' A B 101 22.596 26.480 42.194 1.00 0.00 H new ATOM 0 H4' A B 101 24.703 25.702 41.135 1.00 0.00 H new ATOM 0 H3' A B 101 26.114 25.667 43.493 1.00 0.00 H new ATOM 0 H2' A B 101 25.554 28.012 44.077 1.00 0.00 H new ATOM 0 HO2' A B 101 27.925 27.481 43.970 1.00 0.00 H new ATOM 0 HO5' A B 101 22.667 24.908 43.905 1.00 0.00 H new ATOM 0 H1' A B 101 26.533 28.744 41.239 1.00 0.00 H new ATOM 0 H8 A B 101 27.099 31.090 41.909 1.00 0.00 H new ATOM 0 H61 A B 101 21.832 34.125 43.427 1.00 0.00 H new ATOM 0 H62 A B 101 23.539 34.365 43.041 1.00 0.00 H new ATOM 0 H2 A B 101 20.908 29.897 43.265 1.00 0.00 H new ATOM 1419 P C B 102 28.522 25.505 42.316 1.00 0.00 P ATOM 1420 OP1 C B 102 28.714 24.091 41.910 1.00 0.00 O ATOM 1421 OP2 C B 102 28.639 25.859 43.752 1.00 0.00 O ATOM 1422 O5' C B 102 29.547 26.447 41.511 1.00 0.00 O ATOM 1423 C5' C B 102 30.097 26.054 40.261 1.00 0.00 C ATOM 1424 C4' C B 102 30.997 27.134 39.636 1.00 0.00 C ATOM 1425 O4' C B 102 30.230 28.220 39.118 1.00 0.00 O ATOM 1426 C3' C B 102 32.003 27.741 40.634 1.00 0.00 C ATOM 1427 O3' C B 102 33.241 27.981 39.967 1.00 0.00 O ATOM 1428 C2' C B 102 31.305 29.074 40.964 1.00 0.00 C ATOM 1429 O2' C B 102 32.162 30.040 41.571 1.00 0.00 O ATOM 1430 C1' C B 102 30.829 29.429 39.557 1.00 0.00 C ATOM 1431 N1 C B 102 29.914 30.602 39.454 1.00 0.00 N ATOM 1432 C2 C B 102 30.469 31.844 39.119 1.00 0.00 C ATOM 1433 O2 C B 102 31.682 32.010 39.015 1.00 0.00 O ATOM 1434 N3 C B 102 29.682 32.921 38.863 1.00 0.00 N ATOM 1435 C4 C B 102 28.378 32.783 39.000 1.00 0.00 C ATOM 1436 N4 C B 102 27.694 33.874 38.788 1.00 0.00 N ATOM 1437 C5 C B 102 27.751 31.552 39.326 1.00 0.00 C ATOM 1438 C6 C B 102 28.551 30.471 39.532 1.00 0.00 C ATOM 0 H5' C B 102 29.286 25.820 39.571 1.00 0.00 H new ATOM 0 H5'' C B 102 30.675 25.140 40.396 1.00 0.00 H new ATOM 0 H4' C B 102 31.536 26.614 38.844 1.00 0.00 H new ATOM 0 H3' C B 102 32.232 27.124 41.503 1.00 0.00 H new ATOM 0 H2' C B 102 30.518 29.027 41.717 1.00 0.00 H new ATOM 0 HO2' C B 102 31.626 30.789 41.906 1.00 0.00 H new ATOM 0 H1' C B 102 31.657 29.770 38.936 1.00 0.00 H new ATOM 0 H41 C B 102 26.677 33.863 38.871 1.00 0.00 H new ATOM 0 H42 C B 102 28.176 34.738 38.539 1.00 0.00 H new ATOM 0 H5 C B 102 26.677 31.476 39.408 1.00 0.00 H new ATOM 0 H6 C B 102 28.113 29.510 39.757 1.00 0.00 H new ATOM 1450 P A B 103 34.332 26.836 39.719 1.00 0.00 P ATOM 1451 OP1 A B 103 34.649 26.800 38.269 1.00 0.00 O ATOM 1452 OP2 A B 103 33.890 25.588 40.388 1.00 0.00 O ATOM 1453 O5' A B 103 35.608 27.401 40.536 1.00 0.00 O ATOM 1454 C5' A B 103 36.076 28.738 40.380 1.00 0.00 C ATOM 1455 C4' A B 103 36.705 29.001 38.997 1.00 0.00 C ATOM 1456 O4' A B 103 35.960 29.996 38.293 1.00 0.00 O ATOM 1457 C3' A B 103 38.143 29.529 39.069 1.00 0.00 C ATOM 1458 O3' A B 103 38.808 29.284 37.833 1.00 0.00 O ATOM 1459 C2' A B 103 37.866 31.025 39.274 1.00 0.00 C ATOM 1460 O2' A B 103 38.976 31.876 38.983 1.00 0.00 O ATOM 1461 C1' A B 103 36.691 31.219 38.309 1.00 0.00 C ATOM 1462 N9 A B 103 35.820 32.388 38.616 1.00 0.00 N ATOM 1463 C8 A B 103 35.435 33.376 37.741 1.00 0.00 C ATOM 1464 N7 A B 103 34.656 34.295 38.254 1.00 0.00 N ATOM 1465 C5 A B 103 34.527 33.875 39.590 1.00 0.00 C ATOM 1466 C6 A B 103 33.859 34.391 40.731 1.00 0.00 C ATOM 1467 N6 A B 103 33.145 35.499 40.729 1.00 0.00 N ATOM 1468 N1 A B 103 33.934 33.790 41.917 1.00 0.00 N ATOM 1469 C2 A B 103 34.640 32.669 41.988 1.00 0.00 C ATOM 1470 N3 A B 103 35.325 32.068 41.019 1.00 0.00 N ATOM 1471 C4 A B 103 35.228 32.719 39.822 1.00 0.00 C ATOM 0 H5' A B 103 36.813 28.951 41.154 1.00 0.00 H new ATOM 0 H5'' A B 103 35.245 29.427 40.532 1.00 0.00 H new ATOM 0 H4' A B 103 36.696 28.033 38.495 1.00 0.00 H new ATOM 0 H3' A B 103 38.780 29.081 39.832 1.00 0.00 H new ATOM 0 H2' A B 103 37.662 31.295 40.310 1.00 0.00 H new ATOM 0 HO2' A B 103 39.582 31.422 38.361 1.00 0.00 H new ATOM 0 H1' A B 103 37.087 31.459 37.322 1.00 0.00 H new ATOM 0 H8 A B 103 35.751 33.393 36.708 1.00 0.00 H new ATOM 0 H61 A B 103 32.690 35.814 41.586 1.00 0.00 H new ATOM 0 H62 A B 103 33.047 36.041 39.871 1.00 0.00 H new ATOM 0 H2 A B 103 34.661 32.184 42.953 1.00 0.00 H new ATOM 1483 P U B 104 39.497 27.879 37.521 1.00 0.00 P ATOM 1484 OP1 U B 104 38.429 26.939 37.106 1.00 0.00 O ATOM 1485 OP2 U B 104 40.400 27.518 38.638 1.00 0.00 O ATOM 1486 O5' U B 104 40.386 28.297 36.249 1.00 0.00 O ATOM 1487 C5' U B 104 40.305 27.644 34.990 1.00 0.00 C ATOM 1488 C4' U B 104 40.326 28.647 33.829 1.00 0.00 C ATOM 1489 O4' U B 104 39.117 29.386 33.724 1.00 0.00 O ATOM 1490 C3' U B 104 41.420 29.713 33.926 1.00 0.00 C ATOM 1491 O3' U B 104 42.701 29.166 33.608 1.00 0.00 O ATOM 1492 C2' U B 104 40.875 30.814 32.988 1.00 0.00 C ATOM 1493 O2' U B 104 41.499 30.838 31.715 1.00 0.00 O ATOM 1494 C1' U B 104 39.392 30.429 32.806 1.00 0.00 C ATOM 1495 N1 U B 104 38.407 31.552 32.865 1.00 0.00 N ATOM 1496 C2 U B 104 38.459 32.507 33.896 1.00 0.00 C ATOM 1497 O2 U B 104 39.136 32.391 34.919 1.00 0.00 O ATOM 1498 N3 U B 104 37.691 33.642 33.736 1.00 0.00 N ATOM 1499 C4 U B 104 36.824 33.885 32.698 1.00 0.00 C ATOM 1500 O4 U B 104 36.217 34.948 32.640 1.00 0.00 O ATOM 1501 C5 U B 104 36.697 32.797 31.759 1.00 0.00 C ATOM 1502 C6 U B 104 37.462 31.676 31.865 1.00 0.00 C ATOM 0 H5' U B 104 39.390 27.053 34.944 1.00 0.00 H new ATOM 0 H5'' U B 104 41.138 26.949 34.886 1.00 0.00 H new ATOM 0 H4' U B 104 40.499 27.999 32.970 1.00 0.00 H new ATOM 0 H3' U B 104 41.610 30.121 34.919 1.00 0.00 H new ATOM 0 H2' U B 104 41.051 31.801 33.415 1.00 0.00 H new ATOM 0 HO2' U B 104 42.429 31.132 31.812 1.00 0.00 H new ATOM 0 H1' U B 104 39.254 30.092 31.779 1.00 0.00 H new ATOM 0 H3 U B 104 37.774 34.364 34.451 1.00 0.00 H new ATOM 0 H5 U B 104 35.980 32.874 30.955 1.00 0.00 H new ATOM 0 H6 U B 104 37.328 30.872 31.157 1.00 0.00 H new ATOM 1513 P C B 105 44.041 30.046 33.693 1.00 0.00 P ATOM 1514 OP1 C B 105 44.000 31.035 32.587 1.00 0.00 O ATOM 1515 OP2 C B 105 45.190 29.111 33.776 1.00 0.00 O ATOM 1516 O5' C B 105 43.887 30.842 35.087 1.00 0.00 O ATOM 1517 C5' C B 105 44.384 30.340 36.323 1.00 0.00 C ATOM 1518 C4' C B 105 45.874 30.680 36.514 1.00 0.00 C ATOM 1519 O4' C B 105 46.142 32.035 36.173 1.00 0.00 O ATOM 1520 C3' C B 105 46.320 30.544 37.971 1.00 0.00 C ATOM 1521 O3' C B 105 46.575 29.207 38.381 1.00 0.00 O ATOM 1522 C2' C B 105 47.579 31.430 37.985 1.00 0.00 C ATOM 1523 O2' C B 105 48.757 30.737 37.566 1.00 0.00 O ATOM 1524 C1' C B 105 47.258 32.495 36.922 1.00 0.00 C ATOM 1525 N1 C B 105 46.941 33.832 37.503 1.00 0.00 N ATOM 1526 C2 C B 105 47.793 34.915 37.226 1.00 0.00 C ATOM 1527 O2 C B 105 48.821 34.781 36.560 1.00 0.00 O ATOM 1528 N3 C B 105 47.499 36.157 37.690 1.00 0.00 N ATOM 1529 C4 C B 105 46.408 36.323 38.409 1.00 0.00 C ATOM 1530 N4 C B 105 46.173 37.541 38.814 1.00 0.00 N ATOM 1531 C5 C B 105 45.509 35.269 38.724 1.00 0.00 C ATOM 1532 C6 C B 105 45.801 34.033 38.245 1.00 0.00 C ATOM 0 H5' C B 105 44.249 29.259 36.358 1.00 0.00 H new ATOM 0 H5'' C B 105 43.806 30.760 37.146 1.00 0.00 H new ATOM 0 H4' C B 105 46.406 29.978 35.871 1.00 0.00 H new ATOM 0 H3' C B 105 45.552 30.845 38.684 1.00 0.00 H new ATOM 0 H2' C B 105 47.784 31.802 38.989 1.00 0.00 H new ATOM 0 HO2' C B 105 48.599 29.771 37.604 1.00 0.00 H new ATOM 0 H1' C B 105 48.144 32.629 36.301 1.00 0.00 H new ATOM 0 H41 C B 105 45.345 37.741 39.375 1.00 0.00 H new ATOM 0 H42 C B 105 46.817 38.293 38.569 1.00 0.00 H new ATOM 0 H5 C B 105 44.627 35.445 39.322 1.00 0.00 H new ATOM 0 H6 C B 105 45.137 33.206 38.447 1.00 0.00 H new ATOM 1544 P A B 106 46.295 28.757 39.889 1.00 0.00 P ATOM 1545 OP1 A B 106 47.056 27.510 40.136 1.00 0.00 O ATOM 1546 OP2 A B 106 44.825 28.753 40.090 1.00 0.00 O ATOM 1547 O5' A B 106 46.903 29.924 40.817 1.00 0.00 O ATOM 1548 C5' A B 106 47.073 29.719 42.212 1.00 0.00 C ATOM 1549 C4' A B 106 47.015 31.026 43.016 1.00 0.00 C ATOM 1550 O4' A B 106 48.124 31.880 42.736 1.00 0.00 O ATOM 1551 C3' A B 106 45.729 31.833 42.745 1.00 0.00 C ATOM 1552 O3' A B 106 45.092 32.166 43.978 1.00 0.00 O ATOM 1553 C2' A B 106 46.275 33.091 42.052 1.00 0.00 C ATOM 1554 O2' A B 106 45.445 34.242 42.220 1.00 0.00 O ATOM 1555 C1' A B 106 47.629 33.208 42.749 1.00 0.00 C ATOM 1556 N9 A B 106 48.577 34.148 42.104 1.00 0.00 N ATOM 1557 C8 A B 106 48.869 34.311 40.770 1.00 0.00 C ATOM 1558 N7 A B 106 49.746 35.250 40.518 1.00 0.00 N ATOM 1559 C5 A B 106 50.054 35.744 41.796 1.00 0.00 C ATOM 1560 C6 A B 106 50.912 36.756 42.305 1.00 0.00 C ATOM 1561 N6 A B 106 51.693 37.536 41.579 1.00 0.00 N ATOM 1562 N1 A B 106 50.994 37.005 43.614 1.00 0.00 N ATOM 1563 C2 A B 106 50.246 36.273 44.430 1.00 0.00 C ATOM 1564 N3 A B 106 49.395 35.298 44.112 1.00 0.00 N ATOM 1565 C4 A B 106 49.347 35.078 42.764 1.00 0.00 C ATOM 0 H5' A B 106 48.031 29.231 42.389 1.00 0.00 H new ATOM 0 H5'' A B 106 46.299 29.041 42.572 1.00 0.00 H new ATOM 0 H4' A B 106 47.037 30.711 44.059 1.00 0.00 H new ATOM 0 H3' A B 106 44.983 31.302 42.154 1.00 0.00 H new ATOM 0 H2' A B 106 46.328 33.024 40.965 1.00 0.00 H new ATOM 0 HO2' A B 106 45.342 34.699 41.359 1.00 0.00 H new ATOM 0 HO3' A B 106 44.739 33.079 43.928 1.00 0.00 H new ATOM 0 H1' A B 106 47.516 33.629 43.748 1.00 0.00 H new ATOM 0 H8 A B 106 48.413 33.714 39.994 1.00 0.00 H new ATOM 0 H61 A B 106 52.277 38.238 42.033 1.00 0.00 H new ATOM 0 H62 A B 106 51.712 37.436 40.564 1.00 0.00 H new ATOM 0 H2 A B 106 50.338 36.495 45.483 1.00 0.00 H new TER 1578 A B 106