USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 TYR OH : rot -116:sc= 1.16 USER MOD Set 1.2: B 101 A O2' : rot -20:sc= 1.1 USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -20:sc= 0.509 USER MOD Single : A 8 SER OG : rot 44:sc= 0.082 USER MOD Single : A -1 SER OG : rot 180:sc= 0.0368 USER MOD Single : A -2 GLY N :NH3+ -160:sc= 0.543 (180deg=0.417) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -27:sc= 0.264 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= 0.919 K(o=0.92,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) USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= 1.14 (180deg=1.03) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -156:sc= 1.75 (180deg=-0.142) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0699 USER MOD Single : A 44 SER OG : rot -22:sc= 0.0653 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.0105 USER MOD Single : A 74 ASN : amide:sc= 1.13 K(o=1.1,f=-0.19) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.378 X(o=0.38,f=0) USER MOD Single : B 101 A O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot 134:sc= 0.0533 USER MOD Single : B 103 A O2' : rot 28:sc= 0.00839 USER MOD Single : B 104 U O2' : rot -17:sc= 0.209 USER MOD Single : B 105 C O2' : rot 147:sc= 0.242 USER MOD Single : B 106 A O2' : rot -13:sc= 0.172 USER MOD Single : B 106 A O3' : rot 180:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 21.134 33.761 41.955 1.00 0.00 N ATOM 2 CA GLY A -2 20.230 33.914 43.116 1.00 0.00 C ATOM 3 C GLY A -2 20.706 35.033 44.028 1.00 0.00 C ATOM 4 O GLY A -2 21.178 36.064 43.544 1.00 0.00 O ATOM 0 H1 GLY A -2 20.638 33.256 41.193 1.00 0.00 H new ATOM 0 H2 GLY A -2 21.425 34.700 41.615 1.00 0.00 H new ATOM 0 H3 GLY A -2 21.975 33.220 42.239 1.00 0.00 H new ATOM 0 HA2 GLY A -2 19.219 34.127 42.769 1.00 0.00 H new ATOM 0 HA3 GLY A -2 20.186 32.978 43.674 1.00 0.00 H new ATOM 10 N SER A -1 20.595 34.849 45.350 1.00 0.00 N ATOM 11 CA SER A -1 21.154 35.772 46.359 1.00 0.00 C ATOM 12 C SER A -1 22.698 35.730 46.408 1.00 0.00 C ATOM 13 O SER A -1 23.318 34.854 45.794 1.00 0.00 O ATOM 14 CB SER A -1 20.532 35.479 47.732 1.00 0.00 C ATOM 15 OG SER A -1 20.812 36.526 48.649 1.00 0.00 O ATOM 0 H SER A -1 20.111 34.049 45.758 1.00 0.00 H new ATOM 0 HA SER A -1 20.894 36.789 46.066 1.00 0.00 H new ATOM 0 HB2 SER A -1 19.454 35.359 47.629 1.00 0.00 H new ATOM 0 HB3 SER A -1 20.922 34.537 48.119 1.00 0.00 H new ATOM 0 HG SER A -1 20.405 36.319 49.516 1.00 0.00 H new ATOM 21 N HIS A 0 23.309 36.675 47.134 1.00 0.00 N ATOM 22 CA HIS A 0 24.752 37.000 47.151 1.00 0.00 C ATOM 23 C HIS A 0 25.299 37.492 45.794 1.00 0.00 C ATOM 24 O HIS A 0 24.671 37.328 44.744 1.00 0.00 O ATOM 25 CB HIS A 0 25.596 35.840 47.724 1.00 0.00 C ATOM 26 CG HIS A 0 25.151 35.300 49.067 1.00 0.00 C ATOM 27 ND1 HIS A 0 24.096 34.403 49.288 1.00 0.00 N ATOM 28 CD2 HIS A 0 25.742 35.575 50.266 1.00 0.00 C ATOM 29 CE1 HIS A 0 24.079 34.167 50.610 1.00 0.00 C ATOM 30 NE2 HIS A 0 25.056 34.856 51.221 1.00 0.00 N ATOM 0 H HIS A 0 22.780 37.275 47.768 1.00 0.00 H new ATOM 0 HA HIS A 0 24.849 37.849 47.828 1.00 0.00 H new ATOM 0 HB2 HIS A 0 25.589 35.021 47.004 1.00 0.00 H new ATOM 0 HB3 HIS A 0 26.629 36.177 47.814 1.00 0.00 H new ATOM 0 HD2 HIS A 0 26.584 36.230 50.434 1.00 0.00 H new ATOM 0 HE1 HIS A 0 23.378 33.515 51.111 1.00 0.00 H new ATOM 0 HE2 HIS A 0 25.256 34.849 52.221 1.00 0.00 H new ATOM 38 N MET A 1 26.485 38.111 45.806 1.00 0.00 N ATOM 39 CA MET A 1 27.210 38.539 44.599 1.00 0.00 C ATOM 40 C MET A 1 28.729 38.550 44.826 1.00 0.00 C ATOM 41 O MET A 1 29.211 38.999 45.870 1.00 0.00 O ATOM 42 CB MET A 1 26.693 39.913 44.131 1.00 0.00 C ATOM 43 CG MET A 1 27.343 40.371 42.816 1.00 0.00 C ATOM 44 SD MET A 1 26.566 41.812 42.030 1.00 0.00 S ATOM 45 CE MET A 1 26.963 43.114 43.227 1.00 0.00 C ATOM 0 H MET A 1 26.979 38.334 46.670 1.00 0.00 H new ATOM 0 HA MET A 1 27.018 37.814 43.808 1.00 0.00 H new ATOM 0 HB2 MET A 1 25.612 39.865 44.001 1.00 0.00 H new ATOM 0 HB3 MET A 1 26.888 40.654 44.906 1.00 0.00 H new ATOM 0 HG2 MET A 1 28.390 40.603 43.009 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.325 39.539 42.112 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.551 44.063 42.883 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.532 42.861 44.196 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.045 43.202 43.323 1.00 0.00 H new ATOM 55 N VAL A 2 29.483 38.068 43.833 1.00 0.00 N ATOM 56 CA VAL A 2 30.956 38.045 43.795 1.00 0.00 C ATOM 57 C VAL A 2 31.433 38.032 42.336 1.00 0.00 C ATOM 58 O VAL A 2 30.793 37.418 41.479 1.00 0.00 O ATOM 59 CB VAL A 2 31.516 36.857 44.617 1.00 0.00 C ATOM 60 CG1 VAL A 2 31.011 35.484 44.150 1.00 0.00 C ATOM 61 CG2 VAL A 2 33.050 36.828 44.623 1.00 0.00 C ATOM 0 H VAL A 2 29.068 37.664 42.993 1.00 0.00 H new ATOM 0 HA VAL A 2 31.345 38.949 44.264 1.00 0.00 H new ATOM 0 HB VAL A 2 31.140 37.034 45.625 1.00 0.00 H new ATOM 0 HG11 VAL A 2 31.447 34.704 44.774 1.00 0.00 H new ATOM 0 HG12 VAL A 2 29.925 35.449 44.232 1.00 0.00 H new ATOM 0 HG13 VAL A 2 31.302 35.323 43.112 1.00 0.00 H new ATOM 0 HG21 VAL A 2 33.396 35.978 45.212 1.00 0.00 H new ATOM 0 HG22 VAL A 2 33.416 36.734 43.601 1.00 0.00 H new ATOM 0 HG23 VAL A 2 33.430 37.751 45.061 1.00 0.00 H new ATOM 71 N ILE A 3 32.530 38.736 42.049 1.00 0.00 N ATOM 72 CA ILE A 3 33.212 38.792 40.742 1.00 0.00 C ATOM 73 C ILE A 3 34.651 39.323 40.914 1.00 0.00 C ATOM 74 O ILE A 3 34.950 39.971 41.922 1.00 0.00 O ATOM 75 CB ILE A 3 32.373 39.626 39.736 1.00 0.00 C ATOM 76 CG1 ILE A 3 32.798 39.353 38.279 1.00 0.00 C ATOM 77 CG2 ILE A 3 32.400 41.134 40.052 1.00 0.00 C ATOM 78 CD1 ILE A 3 31.699 39.703 37.265 1.00 0.00 C ATOM 0 H ILE A 3 32.994 39.312 42.751 1.00 0.00 H new ATOM 0 HA ILE A 3 33.296 37.788 40.326 1.00 0.00 H new ATOM 0 HB ILE A 3 31.340 39.298 39.850 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.694 39.931 38.052 1.00 0.00 H new ATOM 0 HG13 ILE A 3 33.062 38.301 38.173 1.00 0.00 H new ATOM 0 HG21 ILE A 3 31.798 41.670 39.319 1.00 0.00 H new ATOM 0 HG22 ILE A 3 31.994 41.304 41.049 1.00 0.00 H new ATOM 0 HG23 ILE A 3 33.427 41.496 40.012 1.00 0.00 H new ATOM 0 HD11 ILE A 3 32.054 39.491 36.256 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.811 39.106 37.471 1.00 0.00 H new ATOM 0 HD13 ILE A 3 31.452 40.761 37.347 1.00 0.00 H new ATOM 90 N ARG A 4 35.544 39.066 39.945 1.00 0.00 N ATOM 91 CA ARG A 4 36.950 39.531 39.950 1.00 0.00 C ATOM 92 C ARG A 4 37.270 40.384 38.722 1.00 0.00 C ATOM 93 O ARG A 4 37.002 39.974 37.593 1.00 0.00 O ATOM 94 CB ARG A 4 37.917 38.338 40.066 1.00 0.00 C ATOM 95 CG ARG A 4 37.738 37.557 41.376 1.00 0.00 C ATOM 96 CD ARG A 4 38.815 36.472 41.518 1.00 0.00 C ATOM 97 NE ARG A 4 38.617 35.661 42.736 1.00 0.00 N ATOM 98 CZ ARG A 4 39.013 35.943 43.966 1.00 0.00 C ATOM 99 NH1 ARG A 4 39.651 37.041 44.263 1.00 0.00 N ATOM 100 NH2 ARG A 4 38.770 35.114 44.939 1.00 0.00 N ATOM 0 H ARG A 4 35.309 38.518 39.117 1.00 0.00 H new ATOM 0 HA ARG A 4 37.084 40.166 40.825 1.00 0.00 H new ATOM 0 HB2 ARG A 4 37.761 37.666 39.222 1.00 0.00 H new ATOM 0 HB3 ARG A 4 38.943 38.699 40.000 1.00 0.00 H new ATOM 0 HG2 ARG A 4 37.792 38.242 42.223 1.00 0.00 H new ATOM 0 HG3 ARG A 4 36.749 37.099 41.399 1.00 0.00 H new ATOM 0 HD2 ARG A 4 38.796 35.824 40.642 1.00 0.00 H new ATOM 0 HD3 ARG A 4 39.800 36.939 41.548 1.00 0.00 H new ATOM 0 HE ARG A 4 38.116 34.781 42.615 1.00 0.00 H new ATOM 0 HH11 ARG A 4 39.862 37.721 43.533 1.00 0.00 H new ATOM 0 HH12 ARG A 4 39.939 37.219 45.225 1.00 0.00 H new ATOM 0 HH21 ARG A 4 38.272 34.243 44.755 1.00 0.00 H new ATOM 0 HH22 ARG A 4 39.077 35.335 45.886 1.00 0.00 H new ATOM 114 N GLU A 5 37.854 41.563 38.952 1.00 0.00 N ATOM 115 CA GLU A 5 38.214 42.571 37.929 1.00 0.00 C ATOM 116 C GLU A 5 37.031 43.025 37.038 1.00 0.00 C ATOM 117 O GLU A 5 37.224 43.399 35.880 1.00 0.00 O ATOM 118 CB GLU A 5 39.451 42.126 37.122 1.00 0.00 C ATOM 119 CG GLU A 5 40.659 41.788 38.013 1.00 0.00 C ATOM 120 CD GLU A 5 41.969 41.655 37.210 1.00 0.00 C ATOM 121 OE1 GLU A 5 41.966 41.092 36.089 1.00 0.00 O ATOM 122 OE2 GLU A 5 43.032 42.100 37.714 1.00 0.00 O ATOM 0 H GLU A 5 38.103 41.862 39.895 1.00 0.00 H new ATOM 0 HA GLU A 5 38.488 43.475 38.473 1.00 0.00 H new ATOM 0 HB2 GLU A 5 39.193 41.253 36.523 1.00 0.00 H new ATOM 0 HB3 GLU A 5 39.729 42.918 36.427 1.00 0.00 H new ATOM 0 HG2 GLU A 5 40.777 42.565 38.768 1.00 0.00 H new ATOM 0 HG3 GLU A 5 40.465 40.855 38.543 1.00 0.00 H new ATOM 129 N SER A 6 35.803 42.961 37.578 1.00 0.00 N ATOM 130 CA SER A 6 34.512 43.130 36.882 1.00 0.00 C ATOM 131 C SER A 6 34.393 42.269 35.611 1.00 0.00 C ATOM 132 O SER A 6 34.187 41.062 35.739 1.00 0.00 O ATOM 133 CB SER A 6 34.090 44.606 36.737 1.00 0.00 C ATOM 134 OG SER A 6 34.865 45.350 35.806 1.00 0.00 O ATOM 0 H SER A 6 35.675 42.779 38.573 1.00 0.00 H new ATOM 0 HA SER A 6 33.746 42.715 37.537 1.00 0.00 H new ATOM 0 HB2 SER A 6 33.044 44.644 36.433 1.00 0.00 H new ATOM 0 HB3 SER A 6 34.156 45.087 37.713 1.00 0.00 H new ATOM 0 HG SER A 6 35.722 44.898 35.658 1.00 0.00 H new ATOM 140 N VAL A 7 34.494 42.856 34.409 1.00 0.00 N ATOM 141 CA VAL A 7 34.411 42.205 33.082 1.00 0.00 C ATOM 142 C VAL A 7 33.310 41.133 33.014 1.00 0.00 C ATOM 143 O VAL A 7 33.560 39.928 33.011 1.00 0.00 O ATOM 144 CB VAL A 7 35.789 41.729 32.554 1.00 0.00 C ATOM 145 CG1 VAL A 7 36.681 42.941 32.250 1.00 0.00 C ATOM 146 CG2 VAL A 7 36.572 40.775 33.466 1.00 0.00 C ATOM 0 H VAL A 7 34.645 43.861 34.327 1.00 0.00 H new ATOM 0 HA VAL A 7 34.097 42.978 32.381 1.00 0.00 H new ATOM 0 HB VAL A 7 35.544 41.154 31.661 1.00 0.00 H new ATOM 0 HG11 VAL A 7 37.647 42.598 31.880 1.00 0.00 H new ATOM 0 HG12 VAL A 7 36.203 43.564 31.494 1.00 0.00 H new ATOM 0 HG13 VAL A 7 36.827 43.523 33.160 1.00 0.00 H new ATOM 0 HG21 VAL A 7 37.517 40.512 32.991 1.00 0.00 H new ATOM 0 HG22 VAL A 7 36.769 41.264 34.420 1.00 0.00 H new ATOM 0 HG23 VAL A 7 35.987 39.871 33.635 1.00 0.00 H new ATOM 156 N SER A 8 32.059 41.602 33.023 1.00 0.00 N ATOM 157 CA SER A 8 30.820 40.812 33.122 1.00 0.00 C ATOM 158 C SER A 8 30.816 39.548 32.244 1.00 0.00 C ATOM 159 O SER A 8 30.808 39.630 31.016 1.00 0.00 O ATOM 160 CB SER A 8 29.634 41.718 32.753 1.00 0.00 C ATOM 161 OG SER A 8 29.857 42.410 31.535 1.00 0.00 O ATOM 0 H SER A 8 31.869 42.602 32.958 1.00 0.00 H new ATOM 0 HA SER A 8 30.741 40.456 34.149 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.729 41.116 32.668 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.464 42.438 33.554 1.00 0.00 H new ATOM 0 HG SER A 8 30.238 41.795 30.874 1.00 0.00 H new ATOM 167 N ARG A 9 30.793 38.362 32.871 1.00 0.00 N ATOM 168 CA ARG A 9 30.823 37.053 32.186 1.00 0.00 C ATOM 169 C ARG A 9 29.517 36.275 32.331 1.00 0.00 C ATOM 170 O ARG A 9 28.947 36.225 33.423 1.00 0.00 O ATOM 171 CB ARG A 9 32.054 36.213 32.602 1.00 0.00 C ATOM 172 CG ARG A 9 32.228 35.946 34.109 1.00 0.00 C ATOM 173 CD ARG A 9 33.130 36.975 34.807 1.00 0.00 C ATOM 174 NE ARG A 9 34.554 36.794 34.455 1.00 0.00 N ATOM 175 CZ ARG A 9 35.573 37.435 34.992 1.00 0.00 C ATOM 176 NH1 ARG A 9 35.416 38.421 35.828 1.00 0.00 N ATOM 177 NH2 ARG A 9 36.783 37.080 34.682 1.00 0.00 N ATOM 0 H ARG A 9 30.752 38.280 33.887 1.00 0.00 H new ATOM 0 HA ARG A 9 30.926 37.267 31.122 1.00 0.00 H new ATOM 0 HB2 ARG A 9 32.000 35.252 32.090 1.00 0.00 H new ATOM 0 HB3 ARG A 9 32.949 36.718 32.240 1.00 0.00 H new ATOM 0 HG2 ARG A 9 31.248 35.948 34.587 1.00 0.00 H new ATOM 0 HG3 ARG A 9 32.649 34.950 34.249 1.00 0.00 H new ATOM 0 HD2 ARG A 9 32.814 37.981 34.531 1.00 0.00 H new ATOM 0 HD3 ARG A 9 33.010 36.889 35.887 1.00 0.00 H new ATOM 0 HE ARG A 9 34.768 36.110 33.729 1.00 0.00 H new ATOM 0 HH11 ARG A 9 34.478 38.723 36.090 1.00 0.00 H new ATOM 0 HH12 ARG A 9 36.231 38.891 36.221 1.00 0.00 H new ATOM 0 HH21 ARG A 9 36.938 36.312 34.029 1.00 0.00 H new ATOM 0 HH22 ARG A 9 37.579 37.569 35.092 1.00 0.00 H new ATOM 191 N ILE A 10 29.047 35.652 31.248 1.00 0.00 N ATOM 192 CA ILE A 10 27.951 34.667 31.299 1.00 0.00 C ATOM 193 C ILE A 10 28.484 33.347 31.861 1.00 0.00 C ATOM 194 O ILE A 10 29.571 32.908 31.483 1.00 0.00 O ATOM 195 CB ILE A 10 27.263 34.488 29.919 1.00 0.00 C ATOM 196 CG1 ILE A 10 26.571 35.814 29.515 1.00 0.00 C ATOM 197 CG2 ILE A 10 26.264 33.310 29.944 1.00 0.00 C ATOM 198 CD1 ILE A 10 25.532 35.732 28.388 1.00 0.00 C ATOM 0 H ILE A 10 29.412 35.812 30.309 1.00 0.00 H new ATOM 0 HA ILE A 10 27.173 35.039 31.966 1.00 0.00 H new ATOM 0 HB ILE A 10 28.018 34.246 29.171 1.00 0.00 H new ATOM 0 HG12 ILE A 10 26.084 36.227 30.398 1.00 0.00 H new ATOM 0 HG13 ILE A 10 27.343 36.524 29.216 1.00 0.00 H new ATOM 0 HG21 ILE A 10 25.797 33.208 28.964 1.00 0.00 H new ATOM 0 HG22 ILE A 10 26.793 32.390 30.191 1.00 0.00 H new ATOM 0 HG23 ILE A 10 25.496 33.500 30.694 1.00 0.00 H new ATOM 0 HD11 ILE A 10 25.121 36.724 28.199 1.00 0.00 H new ATOM 0 HD12 ILE A 10 26.007 35.358 27.481 1.00 0.00 H new ATOM 0 HD13 ILE A 10 24.729 35.056 28.682 1.00 0.00 H new ATOM 210 N TYR A 11 27.696 32.711 32.730 1.00 0.00 N ATOM 211 CA TYR A 11 27.868 31.334 33.185 1.00 0.00 C ATOM 212 C TYR A 11 26.754 30.446 32.593 1.00 0.00 C ATOM 213 O TYR A 11 25.577 30.816 32.586 1.00 0.00 O ATOM 214 CB TYR A 11 27.912 31.308 34.730 1.00 0.00 C ATOM 215 CG TYR A 11 27.251 30.108 35.391 1.00 0.00 C ATOM 216 CD1 TYR A 11 25.854 30.107 35.557 1.00 0.00 C ATOM 217 CD2 TYR A 11 28.006 29.005 35.832 1.00 0.00 C ATOM 218 CE1 TYR A 11 25.196 28.994 36.104 1.00 0.00 C ATOM 219 CE2 TYR A 11 27.356 27.904 36.424 1.00 0.00 C ATOM 220 CZ TYR A 11 25.949 27.887 36.538 1.00 0.00 C ATOM 221 OH TYR A 11 25.308 26.823 37.085 1.00 0.00 O ATOM 0 H TYR A 11 26.886 33.163 33.153 1.00 0.00 H new ATOM 0 HA TYR A 11 28.814 30.925 32.830 1.00 0.00 H new ATOM 0 HB2 TYR A 11 28.955 31.344 35.046 1.00 0.00 H new ATOM 0 HB3 TYR A 11 27.434 32.214 35.104 1.00 0.00 H new ATOM 0 HD1 TYR A 11 25.281 30.973 35.260 1.00 0.00 H new ATOM 0 HD2 TYR A 11 29.080 29.003 35.717 1.00 0.00 H new ATOM 0 HE1 TYR A 11 24.120 28.987 36.191 1.00 0.00 H new ATOM 0 HE2 TYR A 11 27.936 27.070 36.792 1.00 0.00 H new ATOM 0 HH TYR A 11 25.583 26.721 38.020 1.00 0.00 H new ATOM 231 N VAL A 12 27.117 29.244 32.136 1.00 0.00 N ATOM 232 CA VAL A 12 26.175 28.143 31.871 1.00 0.00 C ATOM 233 C VAL A 12 26.753 26.837 32.409 1.00 0.00 C ATOM 234 O VAL A 12 27.932 26.549 32.210 1.00 0.00 O ATOM 235 CB VAL A 12 25.765 28.026 30.385 1.00 0.00 C ATOM 236 CG1 VAL A 12 25.025 29.274 29.892 1.00 0.00 C ATOM 237 CG2 VAL A 12 26.930 27.779 29.426 1.00 0.00 C ATOM 0 H VAL A 12 28.087 29.001 31.935 1.00 0.00 H new ATOM 0 HA VAL A 12 25.248 28.369 32.399 1.00 0.00 H new ATOM 0 HB VAL A 12 25.113 27.153 30.370 1.00 0.00 H new ATOM 0 HG11 VAL A 12 24.756 29.147 28.843 1.00 0.00 H new ATOM 0 HG12 VAL A 12 24.121 29.418 30.483 1.00 0.00 H new ATOM 0 HG13 VAL A 12 25.671 30.146 29.998 1.00 0.00 H new ATOM 0 HG21 VAL A 12 26.553 27.710 28.406 1.00 0.00 H new ATOM 0 HG22 VAL A 12 27.640 28.603 29.496 1.00 0.00 H new ATOM 0 HG23 VAL A 12 27.429 26.847 29.692 1.00 0.00 H new ATOM 247 N GLY A 13 25.932 26.056 33.107 1.00 0.00 N ATOM 248 CA GLY A 13 26.307 24.834 33.820 1.00 0.00 C ATOM 249 C GLY A 13 25.455 23.627 33.432 1.00 0.00 C ATOM 250 O GLY A 13 24.338 23.773 32.931 1.00 0.00 O ATOM 0 H GLY A 13 24.938 26.267 33.196 1.00 0.00 H new ATOM 0 HA2 GLY A 13 27.355 24.611 33.619 1.00 0.00 H new ATOM 0 HA3 GLY A 13 26.217 25.005 34.893 1.00 0.00 H new ATOM 254 N ASN A 14 25.987 22.423 33.654 1.00 0.00 N ATOM 255 CA ASN A 14 25.366 21.151 33.252 1.00 0.00 C ATOM 256 C ASN A 14 25.032 21.087 31.741 1.00 0.00 C ATOM 257 O ASN A 14 24.115 20.373 31.334 1.00 0.00 O ATOM 258 CB ASN A 14 24.158 20.834 34.163 1.00 0.00 C ATOM 259 CG ASN A 14 24.515 20.743 35.632 1.00 0.00 C ATOM 260 OD1 ASN A 14 25.079 19.762 36.094 1.00 0.00 O ATOM 261 ND2 ASN A 14 24.184 21.741 36.422 1.00 0.00 N ATOM 0 H ASN A 14 26.881 22.298 34.129 1.00 0.00 H new ATOM 0 HA ASN A 14 26.102 20.360 33.397 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.400 21.606 34.029 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.712 19.891 33.847 1.00 0.00 H new ATOM 0 HD21 ASN A 14 24.398 21.695 37.418 1.00 0.00 H new ATOM 0 HD22 ASN A 14 23.713 22.561 36.038 1.00 0.00 H new ATOM 268 N LEU A 15 25.736 21.864 30.908 1.00 0.00 N ATOM 269 CA LEU A 15 25.409 22.046 29.492 1.00 0.00 C ATOM 270 C LEU A 15 25.576 20.746 28.666 1.00 0.00 C ATOM 271 O LEU A 15 26.539 20.005 28.890 1.00 0.00 O ATOM 272 CB LEU A 15 26.200 23.231 28.893 1.00 0.00 C ATOM 273 CG LEU A 15 27.707 23.021 28.607 1.00 0.00 C ATOM 274 CD1 LEU A 15 28.228 24.178 27.749 1.00 0.00 C ATOM 275 CD2 LEU A 15 28.563 22.969 29.876 1.00 0.00 C ATOM 0 H LEU A 15 26.558 22.390 31.204 1.00 0.00 H new ATOM 0 HA LEU A 15 24.349 22.293 29.434 1.00 0.00 H new ATOM 0 HB2 LEU A 15 25.718 23.517 27.958 1.00 0.00 H new ATOM 0 HB3 LEU A 15 26.103 24.077 29.573 1.00 0.00 H new ATOM 0 HG LEU A 15 27.790 22.060 28.099 1.00 0.00 H new ATOM 0 HD11 LEU A 15 29.289 24.032 27.547 1.00 0.00 H new ATOM 0 HD12 LEU A 15 27.680 24.208 26.807 1.00 0.00 H new ATOM 0 HD13 LEU A 15 28.086 25.118 28.282 1.00 0.00 H new ATOM 0 HD21 LEU A 15 29.608 22.820 29.604 1.00 0.00 H new ATOM 0 HD22 LEU A 15 28.460 23.906 30.423 1.00 0.00 H new ATOM 0 HD23 LEU A 15 28.231 22.144 30.506 1.00 0.00 H new ATOM 287 N PRO A 16 24.692 20.473 27.686 1.00 0.00 N ATOM 288 CA PRO A 16 24.938 19.464 26.656 1.00 0.00 C ATOM 289 C PRO A 16 26.045 19.918 25.684 1.00 0.00 C ATOM 290 O PRO A 16 26.380 21.102 25.616 1.00 0.00 O ATOM 291 CB PRO A 16 23.592 19.281 25.950 1.00 0.00 C ATOM 292 CG PRO A 16 22.954 20.664 26.060 1.00 0.00 C ATOM 293 CD PRO A 16 23.433 21.157 27.425 1.00 0.00 C ATOM 0 HA PRO A 16 25.296 18.524 27.077 1.00 0.00 H new ATOM 0 HB2 PRO A 16 23.720 18.977 24.911 1.00 0.00 H new ATOM 0 HB3 PRO A 16 22.984 18.517 26.433 1.00 0.00 H new ATOM 0 HG2 PRO A 16 23.280 21.324 25.256 1.00 0.00 H new ATOM 0 HG3 PRO A 16 21.866 20.612 26.009 1.00 0.00 H new ATOM 0 HD2 PRO A 16 23.571 22.238 27.422 1.00 0.00 H new ATOM 0 HD3 PRO A 16 22.700 20.932 28.199 1.00 0.00 H new ATOM 301 N SER A 17 26.606 18.955 24.939 1.00 0.00 N ATOM 302 CA SER A 17 27.606 19.075 23.850 1.00 0.00 C ATOM 303 C SER A 17 28.945 19.782 24.153 1.00 0.00 C ATOM 304 O SER A 17 29.888 19.632 23.367 1.00 0.00 O ATOM 305 CB SER A 17 26.962 19.606 22.558 1.00 0.00 C ATOM 306 OG SER A 17 26.731 21.005 22.596 1.00 0.00 O ATOM 0 H SER A 17 26.353 17.979 25.092 1.00 0.00 H new ATOM 0 HA SER A 17 27.929 18.042 23.721 1.00 0.00 H new ATOM 0 HB2 SER A 17 27.608 19.372 21.712 1.00 0.00 H new ATOM 0 HB3 SER A 17 26.017 19.090 22.390 1.00 0.00 H new ATOM 0 HG SER A 17 26.613 21.292 23.526 1.00 0.00 H new ATOM 312 N HIS A 18 29.081 20.482 25.286 1.00 0.00 N ATOM 313 CA HIS A 18 30.323 21.082 25.807 1.00 0.00 C ATOM 314 C HIS A 18 31.044 21.978 24.781 1.00 0.00 C ATOM 315 O HIS A 18 32.211 21.758 24.451 1.00 0.00 O ATOM 316 CB HIS A 18 31.220 19.991 26.423 1.00 0.00 C ATOM 317 CG HIS A 18 30.496 19.158 27.453 1.00 0.00 C ATOM 318 ND1 HIS A 18 30.094 19.603 28.713 1.00 0.00 N ATOM 319 CD2 HIS A 18 30.051 17.879 27.271 1.00 0.00 C ATOM 320 CE1 HIS A 18 29.415 18.581 29.263 1.00 0.00 C ATOM 321 NE2 HIS A 18 29.378 17.533 28.422 1.00 0.00 N ATOM 0 H HIS A 18 28.286 20.657 25.900 1.00 0.00 H new ATOM 0 HA HIS A 18 30.055 21.772 26.607 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.591 19.341 25.631 1.00 0.00 H new ATOM 0 HB3 HIS A 18 32.089 20.459 26.885 1.00 0.00 H new ATOM 0 HD2 HIS A 18 30.198 17.261 26.397 1.00 0.00 H new ATOM 0 HE1 HIS A 18 28.963 18.600 30.243 1.00 0.00 H new ATOM 0 HE2 HIS A 18 28.929 16.636 28.605 1.00 0.00 H new ATOM 329 N VAL A 19 30.315 22.969 24.251 1.00 0.00 N ATOM 330 CA VAL A 19 30.744 23.848 23.146 1.00 0.00 C ATOM 331 C VAL A 19 32.140 24.466 23.367 1.00 0.00 C ATOM 332 O VAL A 19 32.430 25.045 24.418 1.00 0.00 O ATOM 333 CB VAL A 19 29.658 24.908 22.850 1.00 0.00 C ATOM 334 CG1 VAL A 19 29.373 25.867 24.016 1.00 0.00 C ATOM 335 CG2 VAL A 19 29.998 25.737 21.607 1.00 0.00 C ATOM 0 H VAL A 19 29.378 23.191 24.588 1.00 0.00 H new ATOM 0 HA VAL A 19 30.856 23.226 22.258 1.00 0.00 H new ATOM 0 HB VAL A 19 28.755 24.322 22.680 1.00 0.00 H new ATOM 0 HG11 VAL A 19 28.600 26.577 23.723 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.033 25.297 24.881 1.00 0.00 H new ATOM 0 HG13 VAL A 19 30.284 26.408 24.273 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.211 26.471 21.432 1.00 0.00 H new ATOM 0 HG22 VAL A 19 30.946 26.252 21.761 1.00 0.00 H new ATOM 0 HG23 VAL A 19 30.079 25.079 20.742 1.00 0.00 H new ATOM 345 N SER A 20 33.017 24.320 22.369 1.00 0.00 N ATOM 346 CA SER A 20 34.419 24.767 22.404 1.00 0.00 C ATOM 347 C SER A 20 34.559 26.293 22.423 1.00 0.00 C ATOM 348 O SER A 20 33.680 27.008 21.939 1.00 0.00 O ATOM 349 CB SER A 20 35.176 24.208 21.189 1.00 0.00 C ATOM 350 OG SER A 20 35.095 22.793 21.154 1.00 0.00 O ATOM 0 H SER A 20 32.766 23.874 21.486 1.00 0.00 H new ATOM 0 HA SER A 20 34.846 24.387 23.332 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.759 24.624 20.272 1.00 0.00 H new ATOM 0 HB3 SER A 20 36.221 24.516 21.232 1.00 0.00 H new ATOM 0 HG SER A 20 35.581 22.457 20.373 1.00 0.00 H new ATOM 356 N SER A 21 35.698 26.806 22.904 1.00 0.00 N ATOM 357 CA SER A 21 36.007 28.248 22.952 1.00 0.00 C ATOM 358 C SER A 21 35.891 28.927 21.575 1.00 0.00 C ATOM 359 O SER A 21 35.224 29.952 21.440 1.00 0.00 O ATOM 360 CB SER A 21 37.408 28.457 23.542 1.00 0.00 C ATOM 361 OG SER A 21 38.381 27.748 22.787 1.00 0.00 O ATOM 0 H SER A 21 36.447 26.223 23.278 1.00 0.00 H new ATOM 0 HA SER A 21 35.264 28.721 23.594 1.00 0.00 H new ATOM 0 HB2 SER A 21 37.650 29.520 23.550 1.00 0.00 H new ATOM 0 HB3 SER A 21 37.426 28.118 24.578 1.00 0.00 H new ATOM 0 HG SER A 21 39.268 27.895 23.177 1.00 0.00 H new ATOM 367 N ARG A 22 36.456 28.306 20.529 1.00 0.00 N ATOM 368 CA ARG A 22 36.397 28.747 19.121 1.00 0.00 C ATOM 369 C ARG A 22 34.968 28.865 18.582 1.00 0.00 C ATOM 370 O ARG A 22 34.672 29.799 17.833 1.00 0.00 O ATOM 371 CB ARG A 22 37.276 27.768 18.311 1.00 0.00 C ATOM 372 CG ARG A 22 37.294 27.921 16.778 1.00 0.00 C ATOM 373 CD ARG A 22 36.079 27.277 16.087 1.00 0.00 C ATOM 374 NE ARG A 22 36.434 26.655 14.793 1.00 0.00 N ATOM 375 CZ ARG A 22 36.465 27.221 13.601 1.00 0.00 C ATOM 376 NH1 ARG A 22 36.206 28.486 13.417 1.00 0.00 N ATOM 377 NH2 ARG A 22 36.763 26.509 12.551 1.00 0.00 N ATOM 0 H ARG A 22 36.991 27.445 20.643 1.00 0.00 H new ATOM 0 HA ARG A 22 36.782 29.763 19.029 1.00 0.00 H new ATOM 0 HB2 ARG A 22 38.301 27.863 18.669 1.00 0.00 H new ATOM 0 HB3 ARG A 22 36.950 26.754 18.543 1.00 0.00 H new ATOM 0 HG2 ARG A 22 37.327 28.981 16.526 1.00 0.00 H new ATOM 0 HG3 ARG A 22 38.206 27.472 16.386 1.00 0.00 H new ATOM 0 HD2 ARG A 22 35.648 26.522 16.744 1.00 0.00 H new ATOM 0 HD3 ARG A 22 35.312 28.034 15.925 1.00 0.00 H new ATOM 0 HE ARG A 22 36.686 25.667 14.826 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.968 29.079 14.212 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.242 28.883 12.478 1.00 0.00 H new ATOM 0 HH21 ARG A 22 36.972 25.516 12.651 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.787 26.945 11.629 1.00 0.00 H new ATOM 391 N ASP A 23 34.079 27.947 18.960 1.00 0.00 N ATOM 392 CA ASP A 23 32.666 27.971 18.564 1.00 0.00 C ATOM 393 C ASP A 23 31.849 28.981 19.383 1.00 0.00 C ATOM 394 O ASP A 23 31.135 29.809 18.811 1.00 0.00 O ATOM 395 CB ASP A 23 32.057 26.564 18.693 1.00 0.00 C ATOM 396 CG ASP A 23 32.613 25.531 17.697 1.00 0.00 C ATOM 397 OD1 ASP A 23 33.037 25.908 16.578 1.00 0.00 O ATOM 398 OD2 ASP A 23 32.587 24.320 18.021 1.00 0.00 O ATOM 0 H ASP A 23 34.320 27.156 19.557 1.00 0.00 H new ATOM 0 HA ASP A 23 32.625 28.292 17.523 1.00 0.00 H new ATOM 0 HB2 ASP A 23 32.227 26.200 19.706 1.00 0.00 H new ATOM 0 HB3 ASP A 23 30.978 26.636 18.557 1.00 0.00 H new ATOM 403 N VAL A 24 31.966 28.948 20.718 1.00 0.00 N ATOM 404 CA VAL A 24 31.166 29.795 21.615 1.00 0.00 C ATOM 405 C VAL A 24 31.519 31.277 21.461 1.00 0.00 C ATOM 406 O VAL A 24 30.618 32.105 21.476 1.00 0.00 O ATOM 407 CB VAL A 24 31.243 29.308 23.080 1.00 0.00 C ATOM 408 CG1 VAL A 24 32.475 29.792 23.847 1.00 0.00 C ATOM 409 CG2 VAL A 24 30.007 29.743 23.871 1.00 0.00 C ATOM 0 H VAL A 24 32.618 28.334 21.207 1.00 0.00 H new ATOM 0 HA VAL A 24 30.123 29.698 21.315 1.00 0.00 H new ATOM 0 HB VAL A 24 31.305 28.223 22.997 1.00 0.00 H new ATOM 0 HG11 VAL A 24 32.446 29.403 24.865 1.00 0.00 H new ATOM 0 HG12 VAL A 24 33.377 29.437 23.348 1.00 0.00 H new ATOM 0 HG13 VAL A 24 32.481 30.882 23.875 1.00 0.00 H new ATOM 0 HG21 VAL A 24 30.088 29.387 24.898 1.00 0.00 H new ATOM 0 HG22 VAL A 24 29.938 30.831 23.869 1.00 0.00 H new ATOM 0 HG23 VAL A 24 29.113 29.322 23.410 1.00 0.00 H new ATOM 419 N GLU A 25 32.790 31.618 21.212 1.00 0.00 N ATOM 420 CA GLU A 25 33.223 32.993 20.920 1.00 0.00 C ATOM 421 C GLU A 25 32.476 33.569 19.709 1.00 0.00 C ATOM 422 O GLU A 25 31.775 34.572 19.828 1.00 0.00 O ATOM 423 CB GLU A 25 34.749 33.015 20.691 1.00 0.00 C ATOM 424 CG GLU A 25 35.299 34.396 20.296 1.00 0.00 C ATOM 425 CD GLU A 25 36.823 34.374 20.065 1.00 0.00 C ATOM 426 OE1 GLU A 25 37.335 33.471 19.356 1.00 0.00 O ATOM 427 OE2 GLU A 25 37.527 35.286 20.562 1.00 0.00 O ATOM 0 H GLU A 25 33.554 30.942 21.207 1.00 0.00 H new ATOM 0 HA GLU A 25 32.982 33.624 21.775 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.248 32.683 21.601 1.00 0.00 H new ATOM 0 HB3 GLU A 25 35.000 32.298 19.910 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.801 34.737 19.388 1.00 0.00 H new ATOM 0 HG3 GLU A 25 35.063 35.116 21.079 1.00 0.00 H new ATOM 434 N ASN A 26 32.587 32.918 18.547 1.00 0.00 N ATOM 435 CA ASN A 26 32.015 33.418 17.296 1.00 0.00 C ATOM 436 C ASN A 26 30.473 33.393 17.282 1.00 0.00 C ATOM 437 O ASN A 26 29.856 34.215 16.605 1.00 0.00 O ATOM 438 CB ASN A 26 32.638 32.644 16.126 1.00 0.00 C ATOM 439 CG ASN A 26 34.096 33.031 15.931 1.00 0.00 C ATOM 440 OD1 ASN A 26 34.411 34.115 15.454 1.00 0.00 O ATOM 441 ND2 ASN A 26 35.033 32.192 16.309 1.00 0.00 N ATOM 0 H ASN A 26 33.077 32.029 18.449 1.00 0.00 H new ATOM 0 HA ASN A 26 32.264 34.474 17.194 1.00 0.00 H new ATOM 0 HB2 ASN A 26 32.564 31.573 16.314 1.00 0.00 H new ATOM 0 HB3 ASN A 26 32.079 32.847 15.212 1.00 0.00 H new ATOM 0 HD21 ASN A 26 36.016 32.444 16.205 1.00 0.00 H new ATOM 0 HD22 ASN A 26 34.778 31.288 16.707 1.00 0.00 H new ATOM 448 N GLU A 27 29.840 32.510 18.062 1.00 0.00 N ATOM 449 CA GLU A 27 28.395 32.555 18.323 1.00 0.00 C ATOM 450 C GLU A 27 28.004 33.744 19.228 1.00 0.00 C ATOM 451 O GLU A 27 27.040 34.457 18.936 1.00 0.00 O ATOM 452 CB GLU A 27 27.956 31.206 18.913 1.00 0.00 C ATOM 453 CG GLU A 27 26.452 31.142 19.217 1.00 0.00 C ATOM 454 CD GLU A 27 25.972 29.703 19.490 1.00 0.00 C ATOM 455 OE1 GLU A 27 26.133 28.819 18.614 1.00 0.00 O ATOM 456 OE2 GLU A 27 25.396 29.449 20.576 1.00 0.00 O ATOM 0 H GLU A 27 30.316 31.741 18.532 1.00 0.00 H new ATOM 0 HA GLU A 27 27.868 32.720 17.383 1.00 0.00 H new ATOM 0 HB2 GLU A 27 28.214 30.410 18.215 1.00 0.00 H new ATOM 0 HB3 GLU A 27 28.514 31.018 19.830 1.00 0.00 H new ATOM 0 HG2 GLU A 27 26.231 31.767 20.083 1.00 0.00 H new ATOM 0 HG3 GLU A 27 25.895 31.555 18.376 1.00 0.00 H new ATOM 463 N PHE A 28 28.757 33.995 20.303 1.00 0.00 N ATOM 464 CA PHE A 28 28.447 35.027 21.301 1.00 0.00 C ATOM 465 C PHE A 28 28.834 36.451 20.860 1.00 0.00 C ATOM 466 O PHE A 28 28.257 37.407 21.383 1.00 0.00 O ATOM 467 CB PHE A 28 29.042 34.645 22.671 1.00 0.00 C ATOM 468 CG PHE A 28 28.213 33.650 23.489 1.00 0.00 C ATOM 469 CD1 PHE A 28 27.761 32.432 22.938 1.00 0.00 C ATOM 470 CD2 PHE A 28 27.884 33.946 24.829 1.00 0.00 C ATOM 471 CE1 PHE A 28 26.998 31.536 23.705 1.00 0.00 C ATOM 472 CE2 PHE A 28 27.136 33.041 25.604 1.00 0.00 C ATOM 473 CZ PHE A 28 26.688 31.835 25.042 1.00 0.00 C ATOM 0 H PHE A 28 29.613 33.480 20.509 1.00 0.00 H new ATOM 0 HA PHE A 28 27.362 35.060 21.400 1.00 0.00 H new ATOM 0 HB2 PHE A 28 30.034 34.223 22.513 1.00 0.00 H new ATOM 0 HB3 PHE A 28 29.172 35.554 23.258 1.00 0.00 H new ATOM 0 HD1 PHE A 28 28.004 32.186 21.915 1.00 0.00 H new ATOM 0 HD2 PHE A 28 28.210 34.879 25.265 1.00 0.00 H new ATOM 0 HE1 PHE A 28 26.648 30.614 23.265 1.00 0.00 H new ATOM 0 HE2 PHE A 28 26.906 33.274 26.633 1.00 0.00 H new ATOM 0 HZ PHE A 28 26.109 31.142 25.634 1.00 0.00 H new ATOM 483 N ARG A 29 29.703 36.631 19.848 1.00 0.00 N ATOM 484 CA ARG A 29 30.030 37.948 19.243 1.00 0.00 C ATOM 485 C ARG A 29 28.799 38.754 18.796 1.00 0.00 C ATOM 486 O ARG A 29 28.840 39.985 18.811 1.00 0.00 O ATOM 487 CB ARG A 29 30.993 37.786 18.048 1.00 0.00 C ATOM 488 CG ARG A 29 32.462 37.645 18.479 1.00 0.00 C ATOM 489 CD ARG A 29 33.430 37.599 17.293 1.00 0.00 C ATOM 490 NE ARG A 29 33.643 38.939 16.710 1.00 0.00 N ATOM 491 CZ ARG A 29 34.521 39.263 15.779 1.00 0.00 C ATOM 492 NH1 ARG A 29 35.276 38.373 15.198 1.00 0.00 N ATOM 493 NH2 ARG A 29 34.662 40.506 15.412 1.00 0.00 N ATOM 0 H ARG A 29 30.209 35.857 19.417 1.00 0.00 H new ATOM 0 HA ARG A 29 30.511 38.514 20.041 1.00 0.00 H new ATOM 0 HB2 ARG A 29 30.703 36.908 17.471 1.00 0.00 H new ATOM 0 HB3 ARG A 29 30.894 38.648 17.389 1.00 0.00 H new ATOM 0 HG2 ARG A 29 32.727 38.481 19.126 1.00 0.00 H new ATOM 0 HG3 ARG A 29 32.576 36.736 19.070 1.00 0.00 H new ATOM 0 HD2 ARG A 29 34.385 37.188 17.619 1.00 0.00 H new ATOM 0 HD3 ARG A 29 33.038 36.928 16.529 1.00 0.00 H new ATOM 0 HE ARG A 29 33.051 39.691 17.063 1.00 0.00 H new ATOM 0 HH11 ARG A 29 35.199 37.390 15.459 1.00 0.00 H new ATOM 0 HH12 ARG A 29 35.944 38.660 14.482 1.00 0.00 H new ATOM 0 HH21 ARG A 29 34.093 41.233 15.845 1.00 0.00 H new ATOM 0 HH22 ARG A 29 35.342 40.751 14.692 1.00 0.00 H new ATOM 507 N LYS A 30 27.695 38.084 18.442 1.00 0.00 N ATOM 508 CA LYS A 30 26.404 38.714 18.100 1.00 0.00 C ATOM 509 C LYS A 30 25.772 39.457 19.298 1.00 0.00 C ATOM 510 O LYS A 30 25.119 40.482 19.109 1.00 0.00 O ATOM 511 CB LYS A 30 25.494 37.651 17.418 1.00 0.00 C ATOM 512 CG LYS A 30 24.125 37.362 18.060 1.00 0.00 C ATOM 513 CD LYS A 30 23.063 38.432 17.748 1.00 0.00 C ATOM 514 CE LYS A 30 22.142 38.636 18.958 1.00 0.00 C ATOM 515 NZ LYS A 30 21.222 39.786 18.758 1.00 0.00 N ATOM 0 H LYS A 30 27.669 37.066 18.383 1.00 0.00 H new ATOM 0 HA LYS A 30 26.556 39.514 17.376 1.00 0.00 H new ATOM 0 HB2 LYS A 30 25.322 37.968 16.389 1.00 0.00 H new ATOM 0 HB3 LYS A 30 26.048 36.714 17.374 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.767 36.393 17.712 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.248 37.287 19.140 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.549 39.373 17.490 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.475 38.129 16.882 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.561 37.730 19.130 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.745 38.803 19.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.615 39.894 19.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.777 40.654 18.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.630 39.615 17.920 1.00 0.00 H new ATOM 529 N TYR A 31 25.981 38.969 20.526 1.00 0.00 N ATOM 530 CA TYR A 31 25.428 39.541 21.766 1.00 0.00 C ATOM 531 C TYR A 31 26.354 40.560 22.464 1.00 0.00 C ATOM 532 O TYR A 31 25.887 41.305 23.327 1.00 0.00 O ATOM 533 CB TYR A 31 25.055 38.403 22.725 1.00 0.00 C ATOM 534 CG TYR A 31 23.982 37.462 22.203 1.00 0.00 C ATOM 535 CD1 TYR A 31 22.626 37.835 22.281 1.00 0.00 C ATOM 536 CD2 TYR A 31 24.333 36.206 21.673 1.00 0.00 C ATOM 537 CE1 TYR A 31 21.621 36.955 21.829 1.00 0.00 C ATOM 538 CE2 TYR A 31 23.335 35.326 21.216 1.00 0.00 C ATOM 539 CZ TYR A 31 21.976 35.696 21.294 1.00 0.00 C ATOM 540 OH TYR A 31 21.019 34.838 20.849 1.00 0.00 O ATOM 0 H TYR A 31 26.555 38.142 20.693 1.00 0.00 H new ATOM 0 HA TYR A 31 24.543 40.109 21.481 1.00 0.00 H new ATOM 0 HB2 TYR A 31 25.951 37.824 22.946 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.714 38.835 23.666 1.00 0.00 H new ATOM 0 HD1 TYR A 31 22.355 38.798 22.688 1.00 0.00 H new ATOM 0 HD2 TYR A 31 25.372 35.917 21.617 1.00 0.00 H new ATOM 0 HE1 TYR A 31 20.582 37.243 21.892 1.00 0.00 H new ATOM 0 HE2 TYR A 31 23.610 34.366 20.805 1.00 0.00 H new ATOM 0 HH TYR A 31 21.443 34.021 20.513 1.00 0.00 H new ATOM 550 N GLY A 32 27.641 40.629 22.110 1.00 0.00 N ATOM 551 CA GLY A 32 28.574 41.629 22.651 1.00 0.00 C ATOM 552 C GLY A 32 30.042 41.378 22.291 1.00 0.00 C ATOM 553 O GLY A 32 30.392 40.336 21.737 1.00 0.00 O ATOM 0 H GLY A 32 28.069 39.992 21.438 1.00 0.00 H new ATOM 0 HA2 GLY A 32 28.285 42.614 22.285 1.00 0.00 H new ATOM 0 HA3 GLY A 32 28.476 41.651 23.736 1.00 0.00 H new ATOM 557 N ASN A 33 30.923 42.321 22.640 1.00 0.00 N ATOM 558 CA ASN A 33 32.374 42.136 22.533 1.00 0.00 C ATOM 559 C ASN A 33 32.858 41.117 23.580 1.00 0.00 C ATOM 560 O ASN A 33 32.944 41.426 24.769 1.00 0.00 O ATOM 561 CB ASN A 33 33.090 43.496 22.667 1.00 0.00 C ATOM 562 CG ASN A 33 33.359 44.160 21.325 1.00 0.00 C ATOM 563 OD1 ASN A 33 32.519 44.215 20.436 1.00 0.00 O ATOM 564 ND2 ASN A 33 34.555 44.668 21.118 1.00 0.00 N ATOM 0 H ASN A 33 30.651 43.234 23.005 1.00 0.00 H new ATOM 0 HA ASN A 33 32.620 41.732 21.551 1.00 0.00 H new ATOM 0 HB2 ASN A 33 32.482 44.162 23.280 1.00 0.00 H new ATOM 0 HB3 ASN A 33 34.035 43.353 23.191 1.00 0.00 H new ATOM 0 HD21 ASN A 33 34.776 45.103 20.222 1.00 0.00 H new ATOM 0 HD22 ASN A 33 35.261 44.627 21.853 1.00 0.00 H new ATOM 571 N ILE A 34 33.154 39.898 23.130 1.00 0.00 N ATOM 572 CA ILE A 34 33.727 38.789 23.908 1.00 0.00 C ATOM 573 C ILE A 34 35.261 38.917 23.973 1.00 0.00 C ATOM 574 O ILE A 34 35.932 38.963 22.940 1.00 0.00 O ATOM 575 CB ILE A 34 33.224 37.424 23.352 1.00 0.00 C ATOM 576 CG1 ILE A 34 34.032 36.187 23.796 1.00 0.00 C ATOM 577 CG2 ILE A 34 33.135 37.375 21.816 1.00 0.00 C ATOM 578 CD1 ILE A 34 34.080 35.996 25.309 1.00 0.00 C ATOM 0 H ILE A 34 32.993 39.638 22.157 1.00 0.00 H new ATOM 0 HA ILE A 34 33.381 38.837 24.940 1.00 0.00 H new ATOM 0 HB ILE A 34 32.230 37.370 23.797 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.597 35.297 23.340 1.00 0.00 H new ATOM 0 HG13 ILE A 34 35.050 36.274 23.417 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.778 36.394 21.503 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.443 38.141 21.467 1.00 0.00 H new ATOM 0 HG23 ILE A 34 34.121 37.555 21.388 1.00 0.00 H new ATOM 0 HD11 ILE A 34 34.665 35.107 25.545 1.00 0.00 H new ATOM 0 HD12 ILE A 34 34.542 36.868 25.771 1.00 0.00 H new ATOM 0 HD13 ILE A 34 33.067 35.876 25.693 1.00 0.00 H new ATOM 590 N LEU A 35 35.814 38.990 25.188 1.00 0.00 N ATOM 591 CA LEU A 35 37.250 39.088 25.453 1.00 0.00 C ATOM 592 C LEU A 35 37.935 37.710 25.543 1.00 0.00 C ATOM 593 O LEU A 35 38.966 37.493 24.899 1.00 0.00 O ATOM 594 CB LEU A 35 37.512 39.887 26.752 1.00 0.00 C ATOM 595 CG LEU A 35 37.019 41.349 26.848 1.00 0.00 C ATOM 596 CD1 LEU A 35 37.245 42.151 25.566 1.00 0.00 C ATOM 597 CD2 LEU A 35 35.552 41.470 27.257 1.00 0.00 C ATOM 0 H LEU A 35 35.255 38.982 26.041 1.00 0.00 H new ATOM 0 HA LEU A 35 37.685 39.615 24.604 1.00 0.00 H new ATOM 0 HB2 LEU A 35 37.060 39.333 27.575 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.588 39.891 26.924 1.00 0.00 H new ATOM 0 HG LEU A 35 37.636 41.776 27.639 1.00 0.00 H new ATOM 0 HD11 LEU A 35 36.876 43.167 25.703 1.00 0.00 H new ATOM 0 HD12 LEU A 35 38.310 42.179 25.338 1.00 0.00 H new ATOM 0 HD13 LEU A 35 36.710 41.679 24.742 1.00 0.00 H new ATOM 0 HD21 LEU A 35 35.273 42.523 27.305 1.00 0.00 H new ATOM 0 HD22 LEU A 35 34.927 40.962 26.523 1.00 0.00 H new ATOM 0 HD23 LEU A 35 35.408 41.012 28.236 1.00 0.00 H new ATOM 609 N LYS A 36 37.374 36.786 26.340 1.00 0.00 N ATOM 610 CA LYS A 36 37.914 35.438 26.615 1.00 0.00 C ATOM 611 C LYS A 36 36.815 34.460 27.064 1.00 0.00 C ATOM 612 O LYS A 36 35.885 34.848 27.768 1.00 0.00 O ATOM 613 CB LYS A 36 39.044 35.572 27.664 1.00 0.00 C ATOM 614 CG LYS A 36 39.773 34.254 27.982 1.00 0.00 C ATOM 615 CD LYS A 36 39.260 33.576 29.268 1.00 0.00 C ATOM 616 CE LYS A 36 39.504 32.063 29.265 1.00 0.00 C ATOM 617 NZ LYS A 36 40.937 31.687 29.148 1.00 0.00 N ATOM 0 H LYS A 36 36.497 36.961 26.831 1.00 0.00 H new ATOM 0 HA LYS A 36 38.323 35.014 25.698 1.00 0.00 H new ATOM 0 HB2 LYS A 36 39.773 36.299 27.305 1.00 0.00 H new ATOM 0 HB3 LYS A 36 38.622 35.972 28.586 1.00 0.00 H new ATOM 0 HG2 LYS A 36 39.653 33.568 27.144 1.00 0.00 H new ATOM 0 HG3 LYS A 36 40.840 34.451 28.083 1.00 0.00 H new ATOM 0 HD2 LYS A 36 39.754 34.020 30.132 1.00 0.00 H new ATOM 0 HD3 LYS A 36 38.193 33.769 29.377 1.00 0.00 H new ATOM 0 HE2 LYS A 36 39.100 31.637 30.184 1.00 0.00 H new ATOM 0 HE3 LYS A 36 38.952 31.617 28.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 41.015 30.663 28.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 41.367 32.200 28.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 41.434 31.934 30.028 1.00 0.00 H new ATOM 631 N CYS A 37 36.935 33.184 26.700 1.00 0.00 N ATOM 632 CA CYS A 37 36.022 32.109 27.114 1.00 0.00 C ATOM 633 C CYS A 37 36.742 30.762 27.285 1.00 0.00 C ATOM 634 O CYS A 37 37.760 30.500 26.644 1.00 0.00 O ATOM 635 CB CYS A 37 34.859 31.997 26.113 1.00 0.00 C ATOM 636 SG CYS A 37 35.476 31.756 24.420 1.00 0.00 S ATOM 0 H CYS A 37 37.687 32.857 26.094 1.00 0.00 H new ATOM 0 HA CYS A 37 35.623 32.369 28.095 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.215 31.163 26.391 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.249 32.899 26.156 1.00 0.00 H new ATOM 0 HG CYS A 37 34.471 31.663 23.601 1.00 0.00 H new ATOM 642 N ASP A 38 36.215 29.907 28.168 1.00 0.00 N ATOM 643 CA ASP A 38 36.692 28.536 28.419 1.00 0.00 C ATOM 644 C ASP A 38 35.635 27.697 29.163 1.00 0.00 C ATOM 645 O ASP A 38 34.718 28.237 29.792 1.00 0.00 O ATOM 646 CB ASP A 38 38.011 28.556 29.226 1.00 0.00 C ATOM 647 CG ASP A 38 39.273 28.358 28.363 1.00 0.00 C ATOM 648 OD1 ASP A 38 39.275 27.465 27.483 1.00 0.00 O ATOM 649 OD2 ASP A 38 40.286 29.060 28.606 1.00 0.00 O ATOM 0 H ASP A 38 35.416 30.156 28.750 1.00 0.00 H new ATOM 0 HA ASP A 38 36.874 28.072 27.450 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.089 29.507 29.753 1.00 0.00 H new ATOM 0 HB3 ASP A 38 37.974 27.773 29.984 1.00 0.00 H new ATOM 654 N VAL A 39 35.785 26.368 29.109 1.00 0.00 N ATOM 655 CA VAL A 39 34.946 25.389 29.826 1.00 0.00 C ATOM 656 C VAL A 39 35.730 24.757 30.985 1.00 0.00 C ATOM 657 O VAL A 39 36.852 24.283 30.796 1.00 0.00 O ATOM 658 CB VAL A 39 34.383 24.312 28.876 1.00 0.00 C ATOM 659 CG1 VAL A 39 33.369 23.400 29.581 1.00 0.00 C ATOM 660 CG2 VAL A 39 33.679 24.932 27.662 1.00 0.00 C ATOM 0 H VAL A 39 36.515 25.927 28.549 1.00 0.00 H new ATOM 0 HA VAL A 39 34.091 25.923 30.241 1.00 0.00 H new ATOM 0 HB VAL A 39 35.246 23.731 28.551 1.00 0.00 H new ATOM 0 HG11 VAL A 39 32.997 22.656 28.876 1.00 0.00 H new ATOM 0 HG12 VAL A 39 33.853 22.897 30.418 1.00 0.00 H new ATOM 0 HG13 VAL A 39 32.536 23.999 29.950 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.297 24.139 27.019 1.00 0.00 H new ATOM 0 HG22 VAL A 39 32.851 25.555 28.000 1.00 0.00 H new ATOM 0 HG23 VAL A 39 34.388 25.543 27.103 1.00 0.00 H new ATOM 670 N LYS A 40 35.128 24.730 32.181 1.00 0.00 N ATOM 671 CA LYS A 40 35.665 24.135 33.423 1.00 0.00 C ATOM 672 C LYS A 40 34.789 22.958 33.886 1.00 0.00 C ATOM 673 O LYS A 40 33.701 22.750 33.347 1.00 0.00 O ATOM 674 CB LYS A 40 35.790 25.216 34.521 1.00 0.00 C ATOM 675 CG LYS A 40 36.478 26.532 34.079 1.00 0.00 C ATOM 676 CD LYS A 40 35.511 27.736 34.074 1.00 0.00 C ATOM 677 CE LYS A 40 35.417 28.529 35.394 1.00 0.00 C ATOM 678 NZ LYS A 40 35.268 27.666 36.590 1.00 0.00 N ATOM 0 H LYS A 40 34.206 25.142 32.321 1.00 0.00 H new ATOM 0 HA LYS A 40 36.661 23.741 33.223 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.792 25.453 34.890 1.00 0.00 H new ATOM 0 HB3 LYS A 40 36.348 24.797 35.358 1.00 0.00 H new ATOM 0 HG2 LYS A 40 37.312 26.744 34.748 1.00 0.00 H new ATOM 0 HG3 LYS A 40 36.895 26.402 33.080 1.00 0.00 H new ATOM 0 HD2 LYS A 40 35.817 28.420 33.283 1.00 0.00 H new ATOM 0 HD3 LYS A 40 34.515 27.376 33.817 1.00 0.00 H new ATOM 0 HE2 LYS A 40 36.312 29.141 35.506 1.00 0.00 H new ATOM 0 HE3 LYS A 40 34.569 29.211 35.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 34.816 28.207 37.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.678 26.843 36.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 36.205 27.342 36.903 1.00 0.00 H new ATOM 692 N LYS A 41 35.235 22.194 34.889 1.00 0.00 N ATOM 693 CA LYS A 41 34.497 21.046 35.469 1.00 0.00 C ATOM 694 C LYS A 41 34.731 20.864 36.974 1.00 0.00 C ATOM 695 O LYS A 41 35.712 21.370 37.517 1.00 0.00 O ATOM 696 CB LYS A 41 34.765 19.754 34.662 1.00 0.00 C ATOM 697 CG LYS A 41 36.103 19.029 34.919 1.00 0.00 C ATOM 698 CD LYS A 41 37.384 19.797 34.552 1.00 0.00 C ATOM 699 CE LYS A 41 37.478 20.216 33.074 1.00 0.00 C ATOM 700 NZ LYS A 41 37.654 19.049 32.164 1.00 0.00 N ATOM 0 H LYS A 41 36.138 22.353 35.336 1.00 0.00 H new ATOM 0 HA LYS A 41 33.436 21.278 35.381 1.00 0.00 H new ATOM 0 HB2 LYS A 41 33.956 19.053 34.867 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.712 20.000 33.602 1.00 0.00 H new ATOM 0 HG2 LYS A 41 36.152 18.770 35.977 1.00 0.00 H new ATOM 0 HG3 LYS A 41 36.096 18.093 34.361 1.00 0.00 H new ATOM 0 HD2 LYS A 41 37.448 20.690 35.174 1.00 0.00 H new ATOM 0 HD3 LYS A 41 38.246 19.177 34.796 1.00 0.00 H new ATOM 0 HE2 LYS A 41 36.575 20.758 32.795 1.00 0.00 H new ATOM 0 HE3 LYS A 41 38.315 20.903 32.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 37.712 19.382 31.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 38.529 18.545 32.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 36.843 18.405 32.264 1.00 0.00 H new ATOM 714 N THR A 42 33.831 20.128 37.633 1.00 0.00 N ATOM 715 CA THR A 42 33.891 19.778 39.069 1.00 0.00 C ATOM 716 C THR A 42 34.033 18.267 39.291 1.00 0.00 C ATOM 717 O THR A 42 33.694 17.461 38.422 1.00 0.00 O ATOM 718 CB THR A 42 32.679 20.357 39.828 1.00 0.00 C ATOM 719 OG1 THR A 42 32.755 20.034 41.197 1.00 0.00 O ATOM 720 CG2 THR A 42 31.333 19.828 39.332 1.00 0.00 C ATOM 0 H THR A 42 33.008 19.742 37.171 1.00 0.00 H new ATOM 0 HA THR A 42 34.791 20.236 39.479 1.00 0.00 H new ATOM 0 HB THR A 42 32.725 21.432 39.652 1.00 0.00 H new ATOM 0 HG1 THR A 42 31.980 20.410 41.665 1.00 0.00 H new ATOM 0 HG21 THR A 42 30.528 20.279 39.912 1.00 0.00 H new ATOM 0 HG22 THR A 42 31.208 20.082 38.279 1.00 0.00 H new ATOM 0 HG23 THR A 42 31.302 18.745 39.450 1.00 0.00 H new ATOM 728 N VAL A 43 34.489 17.863 40.484 1.00 0.00 N ATOM 729 CA VAL A 43 34.599 16.458 40.929 1.00 0.00 C ATOM 730 C VAL A 43 33.246 15.728 40.990 1.00 0.00 C ATOM 731 O VAL A 43 33.211 14.496 40.925 1.00 0.00 O ATOM 732 CB VAL A 43 35.309 16.363 42.297 1.00 0.00 C ATOM 733 CG1 VAL A 43 36.739 16.913 42.220 1.00 0.00 C ATOM 734 CG2 VAL A 43 34.561 17.086 43.428 1.00 0.00 C ATOM 0 H VAL A 43 34.804 18.524 41.194 1.00 0.00 H new ATOM 0 HA VAL A 43 35.199 15.954 40.171 1.00 0.00 H new ATOM 0 HB VAL A 43 35.326 15.300 42.536 1.00 0.00 H new ATOM 0 HG11 VAL A 43 37.213 16.833 43.198 1.00 0.00 H new ATOM 0 HG12 VAL A 43 37.311 16.339 41.491 1.00 0.00 H new ATOM 0 HG13 VAL A 43 36.711 17.959 41.916 1.00 0.00 H new ATOM 0 HG21 VAL A 43 35.117 16.978 44.359 1.00 0.00 H new ATOM 0 HG22 VAL A 43 34.466 18.144 43.183 1.00 0.00 H new ATOM 0 HG23 VAL A 43 33.569 16.650 43.545 1.00 0.00 H new ATOM 744 N SER A 44 32.131 16.464 41.057 1.00 0.00 N ATOM 745 CA SER A 44 30.762 15.923 40.934 1.00 0.00 C ATOM 746 C SER A 44 30.417 15.447 39.502 1.00 0.00 C ATOM 747 O SER A 44 29.420 14.754 39.288 1.00 0.00 O ATOM 748 CB SER A 44 29.770 16.984 41.439 1.00 0.00 C ATOM 749 OG SER A 44 28.459 16.459 41.582 1.00 0.00 O ATOM 0 H SER A 44 32.150 17.474 41.201 1.00 0.00 H new ATOM 0 HA SER A 44 30.692 15.026 41.549 1.00 0.00 H new ATOM 0 HB2 SER A 44 30.112 17.373 42.398 1.00 0.00 H new ATOM 0 HB3 SER A 44 29.751 17.823 40.744 1.00 0.00 H new ATOM 0 HG SER A 44 28.362 15.663 41.019 1.00 0.00 H new ATOM 755 N GLY A 45 31.252 15.785 38.507 1.00 0.00 N ATOM 756 CA GLY A 45 31.122 15.379 37.100 1.00 0.00 C ATOM 757 C GLY A 45 30.401 16.385 36.193 1.00 0.00 C ATOM 758 O GLY A 45 30.394 16.210 34.973 1.00 0.00 O ATOM 0 H GLY A 45 32.070 16.373 38.668 1.00 0.00 H new ATOM 0 HA2 GLY A 45 32.119 15.200 36.697 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.587 14.430 37.060 1.00 0.00 H new ATOM 762 N ALA A 46 29.818 17.451 36.757 1.00 0.00 N ATOM 763 CA ALA A 46 29.252 18.567 35.996 1.00 0.00 C ATOM 764 C ALA A 46 30.344 19.438 35.334 1.00 0.00 C ATOM 765 O ALA A 46 31.477 19.523 35.816 1.00 0.00 O ATOM 766 CB ALA A 46 28.344 19.393 36.918 1.00 0.00 C ATOM 0 H ALA A 46 29.726 17.562 37.767 1.00 0.00 H new ATOM 0 HA ALA A 46 28.658 18.165 35.176 1.00 0.00 H new ATOM 0 HB1 ALA A 46 27.919 20.226 36.359 1.00 0.00 H new ATOM 0 HB2 ALA A 46 27.540 18.762 37.297 1.00 0.00 H new ATOM 0 HB3 ALA A 46 28.928 19.778 37.754 1.00 0.00 H new ATOM 772 N ALA A 47 29.975 20.110 34.239 1.00 0.00 N ATOM 773 CA ALA A 47 30.825 21.032 33.485 1.00 0.00 C ATOM 774 C ALA A 47 30.134 22.389 33.274 1.00 0.00 C ATOM 775 O ALA A 47 28.901 22.485 33.311 1.00 0.00 O ATOM 776 CB ALA A 47 31.231 20.375 32.163 1.00 0.00 C ATOM 0 H ALA A 47 29.040 20.022 33.840 1.00 0.00 H new ATOM 0 HA ALA A 47 31.728 21.240 34.058 1.00 0.00 H new ATOM 0 HB1 ALA A 47 31.865 21.058 31.597 1.00 0.00 H new ATOM 0 HB2 ALA A 47 31.780 19.456 32.367 1.00 0.00 H new ATOM 0 HB3 ALA A 47 30.338 20.143 31.583 1.00 0.00 H new ATOM 782 N PHE A 48 30.936 23.435 33.060 1.00 0.00 N ATOM 783 CA PHE A 48 30.493 24.831 33.062 1.00 0.00 C ATOM 784 C PHE A 48 31.268 25.669 32.035 1.00 0.00 C ATOM 785 O PHE A 48 32.494 25.745 32.111 1.00 0.00 O ATOM 786 CB PHE A 48 30.685 25.443 34.465 1.00 0.00 C ATOM 787 CG PHE A 48 30.336 24.564 35.650 1.00 0.00 C ATOM 788 CD1 PHE A 48 29.023 24.527 36.152 1.00 0.00 C ATOM 789 CD2 PHE A 48 31.337 23.787 36.261 1.00 0.00 C ATOM 790 CE1 PHE A 48 28.707 23.714 37.255 1.00 0.00 C ATOM 791 CE2 PHE A 48 31.025 22.979 37.368 1.00 0.00 C ATOM 792 CZ PHE A 48 29.710 22.942 37.863 1.00 0.00 C ATOM 0 H PHE A 48 31.934 23.332 32.876 1.00 0.00 H new ATOM 0 HA PHE A 48 29.437 24.843 32.791 1.00 0.00 H new ATOM 0 HB2 PHE A 48 31.727 25.747 34.563 1.00 0.00 H new ATOM 0 HB3 PHE A 48 30.082 26.349 34.525 1.00 0.00 H new ATOM 0 HD1 PHE A 48 28.253 25.126 35.688 1.00 0.00 H new ATOM 0 HD2 PHE A 48 32.347 23.811 35.879 1.00 0.00 H new ATOM 0 HE1 PHE A 48 27.696 23.683 37.633 1.00 0.00 H new ATOM 0 HE2 PHE A 48 31.796 22.386 37.838 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.471 22.319 38.712 1.00 0.00 H new ATOM 802 N ALA A 49 30.581 26.328 31.102 1.00 0.00 N ATOM 803 CA ALA A 49 31.193 27.306 30.200 1.00 0.00 C ATOM 804 C ALA A 49 31.075 28.732 30.769 1.00 0.00 C ATOM 805 O ALA A 49 30.014 29.126 31.264 1.00 0.00 O ATOM 806 CB ALA A 49 30.592 27.180 28.797 1.00 0.00 C ATOM 0 H ALA A 49 29.581 26.199 30.949 1.00 0.00 H new ATOM 0 HA ALA A 49 32.259 27.095 30.117 1.00 0.00 H new ATOM 0 HB1 ALA A 49 31.055 27.912 28.136 1.00 0.00 H new ATOM 0 HB2 ALA A 49 30.774 26.177 28.412 1.00 0.00 H new ATOM 0 HB3 ALA A 49 29.518 27.361 28.844 1.00 0.00 H new ATOM 812 N PHE A 50 32.162 29.502 30.676 1.00 0.00 N ATOM 813 CA PHE A 50 32.234 30.905 31.098 1.00 0.00 C ATOM 814 C PHE A 50 32.692 31.782 29.922 1.00 0.00 C ATOM 815 O PHE A 50 33.666 31.450 29.243 1.00 0.00 O ATOM 816 CB PHE A 50 33.172 31.061 32.302 1.00 0.00 C ATOM 817 CG PHE A 50 32.627 30.609 33.646 1.00 0.00 C ATOM 818 CD1 PHE A 50 32.421 29.241 33.921 1.00 0.00 C ATOM 819 CD2 PHE A 50 32.386 31.559 34.658 1.00 0.00 C ATOM 820 CE1 PHE A 50 32.017 28.833 35.205 1.00 0.00 C ATOM 821 CE2 PHE A 50 31.984 31.148 35.939 1.00 0.00 C ATOM 822 CZ PHE A 50 31.815 29.783 36.217 1.00 0.00 C ATOM 0 H PHE A 50 33.043 29.157 30.294 1.00 0.00 H new ATOM 0 HA PHE A 50 31.242 31.233 31.407 1.00 0.00 H new ATOM 0 HB2 PHE A 50 34.085 30.502 32.098 1.00 0.00 H new ATOM 0 HB3 PHE A 50 33.452 32.111 32.383 1.00 0.00 H new ATOM 0 HD1 PHE A 50 32.574 28.506 33.145 1.00 0.00 H new ATOM 0 HD2 PHE A 50 32.511 32.611 34.447 1.00 0.00 H new ATOM 0 HE1 PHE A 50 31.862 27.785 35.412 1.00 0.00 H new ATOM 0 HE2 PHE A 50 31.805 31.882 36.710 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.530 29.464 37.209 1.00 0.00 H new ATOM 832 N ILE A 51 31.989 32.897 29.686 1.00 0.00 N ATOM 833 CA ILE A 51 32.129 33.736 28.481 1.00 0.00 C ATOM 834 C ILE A 51 32.173 35.225 28.869 1.00 0.00 C ATOM 835 O ILE A 51 31.155 35.797 29.258 1.00 0.00 O ATOM 836 CB ILE A 51 30.984 33.423 27.476 1.00 0.00 C ATOM 837 CG1 ILE A 51 30.844 31.920 27.117 1.00 0.00 C ATOM 838 CG2 ILE A 51 31.213 34.210 26.175 1.00 0.00 C ATOM 839 CD1 ILE A 51 29.778 31.193 27.952 1.00 0.00 C ATOM 0 H ILE A 51 31.291 33.252 30.340 1.00 0.00 H new ATOM 0 HA ILE A 51 33.071 33.504 27.984 1.00 0.00 H new ATOM 0 HB ILE A 51 30.062 33.719 27.976 1.00 0.00 H new ATOM 0 HG12 ILE A 51 30.593 31.828 26.060 1.00 0.00 H new ATOM 0 HG13 ILE A 51 31.806 31.428 27.260 1.00 0.00 H new ATOM 0 HG21 ILE A 51 30.410 33.990 25.471 1.00 0.00 H new ATOM 0 HG22 ILE A 51 31.223 35.278 26.393 1.00 0.00 H new ATOM 0 HG23 ILE A 51 32.169 33.920 25.738 1.00 0.00 H new ATOM 0 HD11 ILE A 51 29.731 30.146 27.651 1.00 0.00 H new ATOM 0 HD12 ILE A 51 30.039 31.255 29.009 1.00 0.00 H new ATOM 0 HD13 ILE A 51 28.807 31.661 27.790 1.00 0.00 H new ATOM 851 N GLU A 52 33.357 35.846 28.815 1.00 0.00 N ATOM 852 CA GLU A 52 33.642 37.197 29.332 1.00 0.00 C ATOM 853 C GLU A 52 33.307 38.319 28.329 1.00 0.00 C ATOM 854 O GLU A 52 33.998 38.479 27.323 1.00 0.00 O ATOM 855 CB GLU A 52 35.122 37.231 29.759 1.00 0.00 C ATOM 856 CG GLU A 52 35.521 38.484 30.540 1.00 0.00 C ATOM 857 CD GLU A 52 37.047 38.545 30.752 1.00 0.00 C ATOM 858 OE1 GLU A 52 37.614 37.633 31.402 1.00 0.00 O ATOM 859 OE2 GLU A 52 37.689 39.508 30.268 1.00 0.00 O ATOM 0 H GLU A 52 34.177 35.408 28.395 1.00 0.00 H new ATOM 0 HA GLU A 52 32.993 37.393 30.186 1.00 0.00 H new ATOM 0 HB2 GLU A 52 35.332 36.353 30.370 1.00 0.00 H new ATOM 0 HB3 GLU A 52 35.747 37.157 28.869 1.00 0.00 H new ATOM 0 HG2 GLU A 52 35.190 39.372 30.002 1.00 0.00 H new ATOM 0 HG3 GLU A 52 35.016 38.490 31.506 1.00 0.00 H new ATOM 866 N PHE A 53 32.275 39.123 28.607 1.00 0.00 N ATOM 867 CA PHE A 53 31.839 40.252 27.773 1.00 0.00 C ATOM 868 C PHE A 53 32.283 41.631 28.293 1.00 0.00 C ATOM 869 O PHE A 53 32.499 41.850 29.486 1.00 0.00 O ATOM 870 CB PHE A 53 30.306 40.253 27.643 1.00 0.00 C ATOM 871 CG PHE A 53 29.707 39.228 26.704 1.00 0.00 C ATOM 872 CD1 PHE A 53 30.024 39.262 25.334 1.00 0.00 C ATOM 873 CD2 PHE A 53 28.726 38.333 27.170 1.00 0.00 C ATOM 874 CE1 PHE A 53 29.340 38.436 24.427 1.00 0.00 C ATOM 875 CE2 PHE A 53 28.026 37.525 26.261 1.00 0.00 C ATOM 876 CZ PHE A 53 28.317 37.591 24.889 1.00 0.00 C ATOM 0 H PHE A 53 31.702 39.004 29.443 1.00 0.00 H new ATOM 0 HA PHE A 53 32.323 40.101 26.808 1.00 0.00 H new ATOM 0 HB2 PHE A 53 29.880 40.098 28.634 1.00 0.00 H new ATOM 0 HB3 PHE A 53 29.992 41.243 27.312 1.00 0.00 H new ATOM 0 HD1 PHE A 53 30.797 39.927 24.978 1.00 0.00 H new ATOM 0 HD2 PHE A 53 28.512 38.268 28.227 1.00 0.00 H new ATOM 0 HE1 PHE A 53 29.599 38.450 23.379 1.00 0.00 H new ATOM 0 HE2 PHE A 53 27.261 36.851 26.618 1.00 0.00 H new ATOM 0 HZ PHE A 53 27.754 36.992 24.188 1.00 0.00 H new ATOM 886 N GLU A 54 32.332 42.597 27.373 1.00 0.00 N ATOM 887 CA GLU A 54 32.439 44.037 27.650 1.00 0.00 C ATOM 888 C GLU A 54 31.077 44.703 27.969 1.00 0.00 C ATOM 889 O GLU A 54 31.031 45.687 28.710 1.00 0.00 O ATOM 890 CB GLU A 54 33.088 44.683 26.412 1.00 0.00 C ATOM 891 CG GLU A 54 33.321 46.203 26.474 1.00 0.00 C ATOM 892 CD GLU A 54 34.211 46.675 27.645 1.00 0.00 C ATOM 893 OE1 GLU A 54 35.062 45.898 28.142 1.00 0.00 O ATOM 894 OE2 GLU A 54 34.096 47.859 28.046 1.00 0.00 O ATOM 0 H GLU A 54 32.297 42.393 26.374 1.00 0.00 H new ATOM 0 HA GLU A 54 33.043 44.185 28.545 1.00 0.00 H new ATOM 0 HB2 GLU A 54 34.048 44.197 26.237 1.00 0.00 H new ATOM 0 HB3 GLU A 54 32.461 44.469 25.547 1.00 0.00 H new ATOM 0 HG2 GLU A 54 33.776 46.525 25.537 1.00 0.00 H new ATOM 0 HG3 GLU A 54 32.355 46.702 26.547 1.00 0.00 H new ATOM 901 N ASP A 55 29.969 44.185 27.418 1.00 0.00 N ATOM 902 CA ASP A 55 28.653 44.850 27.369 1.00 0.00 C ATOM 903 C ASP A 55 27.532 44.043 28.063 1.00 0.00 C ATOM 904 O ASP A 55 26.823 43.257 27.431 1.00 0.00 O ATOM 905 CB ASP A 55 28.288 45.161 25.904 1.00 0.00 C ATOM 906 CG ASP A 55 29.334 46.026 25.186 1.00 0.00 C ATOM 907 OD1 ASP A 55 29.512 47.206 25.573 1.00 0.00 O ATOM 908 OD2 ASP A 55 29.948 45.536 24.206 1.00 0.00 O ATOM 0 H ASP A 55 29.961 43.264 26.980 1.00 0.00 H new ATOM 0 HA ASP A 55 28.737 45.779 27.933 1.00 0.00 H new ATOM 0 HB2 ASP A 55 28.167 44.224 25.361 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.325 45.671 25.878 1.00 0.00 H new ATOM 913 N ALA A 56 27.341 44.259 29.366 1.00 0.00 N ATOM 914 CA ALA A 56 26.405 43.504 30.206 1.00 0.00 C ATOM 915 C ALA A 56 24.927 43.593 29.761 1.00 0.00 C ATOM 916 O ALA A 56 24.219 42.581 29.748 1.00 0.00 O ATOM 917 CB ALA A 56 26.576 44.004 31.646 1.00 0.00 C ATOM 0 H ALA A 56 27.845 44.981 29.880 1.00 0.00 H new ATOM 0 HA ALA A 56 26.648 42.445 30.114 1.00 0.00 H new ATOM 0 HB1 ALA A 56 25.894 43.464 32.302 1.00 0.00 H new ATOM 0 HB2 ALA A 56 27.603 43.834 31.971 1.00 0.00 H new ATOM 0 HB3 ALA A 56 26.353 45.070 31.690 1.00 0.00 H new ATOM 923 N ARG A 57 24.437 44.780 29.370 1.00 0.00 N ATOM 924 CA ARG A 57 23.048 44.962 28.893 1.00 0.00 C ATOM 925 C ARG A 57 22.804 44.307 27.529 1.00 0.00 C ATOM 926 O ARG A 57 21.732 43.754 27.300 1.00 0.00 O ATOM 927 CB ARG A 57 22.690 46.460 28.902 1.00 0.00 C ATOM 928 CG ARG A 57 21.253 46.779 28.447 1.00 0.00 C ATOM 929 CD ARG A 57 21.174 47.140 26.955 1.00 0.00 C ATOM 930 NE ARG A 57 19.776 47.296 26.507 1.00 0.00 N ATOM 931 CZ ARG A 57 19.374 47.750 25.331 1.00 0.00 C ATOM 932 NH1 ARG A 57 20.211 48.167 24.422 1.00 0.00 N ATOM 933 NH2 ARG A 57 18.104 47.792 25.038 1.00 0.00 N ATOM 0 H ARG A 57 24.986 45.640 29.374 1.00 0.00 H new ATOM 0 HA ARG A 57 22.379 44.445 29.581 1.00 0.00 H new ATOM 0 HB2 ARG A 57 22.832 46.848 29.911 1.00 0.00 H new ATOM 0 HB3 ARG A 57 23.388 46.991 28.255 1.00 0.00 H new ATOM 0 HG2 ARG A 57 20.614 45.918 28.643 1.00 0.00 H new ATOM 0 HG3 ARG A 57 20.863 47.607 29.039 1.00 0.00 H new ATOM 0 HD2 ARG A 57 21.720 48.066 26.775 1.00 0.00 H new ATOM 0 HD3 ARG A 57 21.661 46.363 26.366 1.00 0.00 H new ATOM 0 HE ARG A 57 19.048 47.027 27.169 1.00 0.00 H new ATOM 0 HH11 ARG A 57 21.214 48.150 24.606 1.00 0.00 H new ATOM 0 HH12 ARG A 57 19.863 48.510 23.527 1.00 0.00 H new ATOM 0 HH21 ARG A 57 17.413 47.474 25.717 1.00 0.00 H new ATOM 0 HH22 ARG A 57 17.802 48.143 24.129 1.00 0.00 H new ATOM 947 N ASP A 58 23.792 44.338 26.636 1.00 0.00 N ATOM 948 CA ASP A 58 23.704 43.693 25.319 1.00 0.00 C ATOM 949 C ASP A 58 23.737 42.152 25.457 1.00 0.00 C ATOM 950 O ASP A 58 22.922 41.441 24.863 1.00 0.00 O ATOM 951 CB ASP A 58 24.842 44.237 24.432 1.00 0.00 C ATOM 952 CG ASP A 58 24.584 44.160 22.916 1.00 0.00 C ATOM 953 OD1 ASP A 58 23.504 43.712 22.469 1.00 0.00 O ATOM 954 OD2 ASP A 58 25.451 44.649 22.150 1.00 0.00 O ATOM 0 H ASP A 58 24.680 44.811 26.802 1.00 0.00 H new ATOM 0 HA ASP A 58 22.753 43.930 24.842 1.00 0.00 H new ATOM 0 HB2 ASP A 58 25.025 45.277 24.701 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.754 43.684 24.658 1.00 0.00 H new ATOM 959 N ALA A 59 24.591 41.642 26.354 1.00 0.00 N ATOM 960 CA ALA A 59 24.685 40.226 26.708 1.00 0.00 C ATOM 961 C ALA A 59 23.393 39.646 27.324 1.00 0.00 C ATOM 962 O ALA A 59 23.135 38.447 27.190 1.00 0.00 O ATOM 963 CB ALA A 59 25.865 40.068 27.676 1.00 0.00 C ATOM 0 H ALA A 59 25.254 42.223 26.867 1.00 0.00 H new ATOM 0 HA ALA A 59 24.838 39.656 25.791 1.00 0.00 H new ATOM 0 HB1 ALA A 59 25.964 39.021 27.961 1.00 0.00 H new ATOM 0 HB2 ALA A 59 26.782 40.400 27.189 1.00 0.00 H new ATOM 0 HB3 ALA A 59 25.688 40.671 28.566 1.00 0.00 H new ATOM 969 N ALA A 60 22.555 40.472 27.959 1.00 0.00 N ATOM 970 CA ALA A 60 21.291 40.035 28.556 1.00 0.00 C ATOM 971 C ALA A 60 20.282 39.467 27.529 1.00 0.00 C ATOM 972 O ALA A 60 19.428 38.653 27.890 1.00 0.00 O ATOM 973 CB ALA A 60 20.687 41.203 29.347 1.00 0.00 C ATOM 0 H ALA A 60 22.737 41.469 28.073 1.00 0.00 H new ATOM 0 HA ALA A 60 21.510 39.202 29.224 1.00 0.00 H new ATOM 0 HB1 ALA A 60 19.745 40.889 29.796 1.00 0.00 H new ATOM 0 HB2 ALA A 60 21.380 41.508 30.132 1.00 0.00 H new ATOM 0 HB3 ALA A 60 20.507 42.043 28.676 1.00 0.00 H new ATOM 979 N ASP A 61 20.398 39.819 26.243 1.00 0.00 N ATOM 980 CA ASP A 61 19.581 39.221 25.176 1.00 0.00 C ATOM 981 C ASP A 61 19.892 37.729 24.932 1.00 0.00 C ATOM 982 O ASP A 61 19.028 37.015 24.421 1.00 0.00 O ATOM 983 CB ASP A 61 19.714 40.025 23.870 1.00 0.00 C ATOM 984 CG ASP A 61 19.016 41.400 23.880 1.00 0.00 C ATOM 985 OD1 ASP A 61 18.245 41.721 24.817 1.00 0.00 O ATOM 986 OD2 ASP A 61 19.191 42.153 22.892 1.00 0.00 O ATOM 0 H ASP A 61 21.057 40.523 25.912 1.00 0.00 H new ATOM 0 HA ASP A 61 18.548 39.267 25.520 1.00 0.00 H new ATOM 0 HB2 ASP A 61 20.773 40.173 23.658 1.00 0.00 H new ATOM 0 HB3 ASP A 61 19.305 39.432 23.052 1.00 0.00 H new ATOM 991 N ALA A 62 21.076 37.237 25.327 1.00 0.00 N ATOM 992 CA ALA A 62 21.393 35.806 25.309 1.00 0.00 C ATOM 993 C ALA A 62 20.713 35.069 26.477 1.00 0.00 C ATOM 994 O ALA A 62 19.962 34.116 26.263 1.00 0.00 O ATOM 995 CB ALA A 62 22.916 35.612 25.341 1.00 0.00 C ATOM 0 H ALA A 62 21.839 37.822 25.667 1.00 0.00 H new ATOM 0 HA ALA A 62 21.004 35.374 24.387 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.147 34.547 25.328 1.00 0.00 H new ATOM 0 HB2 ALA A 62 23.362 36.091 24.470 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.321 36.060 26.249 1.00 0.00 H new ATOM 1001 N ILE A 63 20.930 35.528 27.719 1.00 0.00 N ATOM 1002 CA ILE A 63 20.428 34.837 28.920 1.00 0.00 C ATOM 1003 C ILE A 63 18.893 34.744 28.895 1.00 0.00 C ATOM 1004 O ILE A 63 18.347 33.671 29.147 1.00 0.00 O ATOM 1005 CB ILE A 63 21.021 35.472 30.205 1.00 0.00 C ATOM 1006 CG1 ILE A 63 21.168 34.480 31.381 1.00 0.00 C ATOM 1007 CG2 ILE A 63 20.301 36.744 30.677 1.00 0.00 C ATOM 1008 CD1 ILE A 63 19.892 33.868 31.976 1.00 0.00 C ATOM 0 H ILE A 63 21.453 36.380 27.920 1.00 0.00 H new ATOM 0 HA ILE A 63 20.776 33.804 28.924 1.00 0.00 H new ATOM 0 HB ILE A 63 22.021 35.767 29.888 1.00 0.00 H new ATOM 0 HG12 ILE A 63 21.806 33.661 31.049 1.00 0.00 H new ATOM 0 HG13 ILE A 63 21.698 34.992 32.184 1.00 0.00 H new ATOM 0 HG21 ILE A 63 20.781 37.120 31.580 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.353 37.502 29.896 1.00 0.00 H new ATOM 0 HG23 ILE A 63 19.257 36.513 30.890 1.00 0.00 H new ATOM 0 HD11 ILE A 63 20.157 33.194 32.791 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.251 34.663 32.357 1.00 0.00 H new ATOM 0 HD13 ILE A 63 19.361 33.312 31.204 1.00 0.00 H new ATOM 1020 N LYS A 64 18.181 35.798 28.465 1.00 0.00 N ATOM 1021 CA LYS A 64 16.706 35.813 28.427 1.00 0.00 C ATOM 1022 C LYS A 64 16.059 34.859 27.406 1.00 0.00 C ATOM 1023 O LYS A 64 14.843 34.678 27.450 1.00 0.00 O ATOM 1024 CB LYS A 64 16.196 37.263 28.330 1.00 0.00 C ATOM 1025 CG LYS A 64 16.332 37.944 26.954 1.00 0.00 C ATOM 1026 CD LYS A 64 15.128 37.707 26.027 1.00 0.00 C ATOM 1027 CE LYS A 64 15.203 38.624 24.802 1.00 0.00 C ATOM 1028 NZ LYS A 64 14.011 38.458 23.928 1.00 0.00 N ATOM 0 H LYS A 64 18.609 36.663 28.134 1.00 0.00 H new ATOM 0 HA LYS A 64 16.370 35.391 29.374 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.144 37.276 28.615 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.733 37.864 29.064 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.462 39.016 27.100 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.234 37.578 26.464 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.108 36.665 25.708 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.201 37.892 26.571 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.277 39.662 25.126 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.107 38.402 24.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.091 39.092 23.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.955 37.473 23.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.152 38.693 24.465 1.00 0.00 H new ATOM 1042 N GLU A 65 16.835 34.234 26.511 1.00 0.00 N ATOM 1043 CA GLU A 65 16.365 33.125 25.655 1.00 0.00 C ATOM 1044 C GLU A 65 16.952 31.748 26.033 1.00 0.00 C ATOM 1045 O GLU A 65 16.379 30.719 25.667 1.00 0.00 O ATOM 1046 CB GLU A 65 16.569 33.456 24.165 1.00 0.00 C ATOM 1047 CG GLU A 65 18.019 33.429 23.660 1.00 0.00 C ATOM 1048 CD GLU A 65 18.060 33.177 22.142 1.00 0.00 C ATOM 1049 OE1 GLU A 65 17.750 34.108 21.356 1.00 0.00 O ATOM 1050 OE2 GLU A 65 18.377 32.037 21.727 1.00 0.00 O ATOM 0 H GLU A 65 17.812 34.481 26.356 1.00 0.00 H new ATOM 0 HA GLU A 65 15.295 33.030 25.840 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.986 32.750 23.574 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.157 34.447 23.974 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.507 34.376 23.890 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.576 32.649 24.179 1.00 0.00 H new ATOM 1057 N LYS A 66 18.073 31.702 26.772 1.00 0.00 N ATOM 1058 CA LYS A 66 18.684 30.469 27.310 1.00 0.00 C ATOM 1059 C LYS A 66 18.153 30.062 28.700 1.00 0.00 C ATOM 1060 O LYS A 66 18.396 28.936 29.129 1.00 0.00 O ATOM 1061 CB LYS A 66 20.217 30.631 27.342 1.00 0.00 C ATOM 1062 CG LYS A 66 20.929 30.798 25.985 1.00 0.00 C ATOM 1063 CD LYS A 66 20.736 29.640 24.990 1.00 0.00 C ATOM 1064 CE LYS A 66 19.539 29.887 24.062 1.00 0.00 C ATOM 1065 NZ LYS A 66 19.413 28.835 23.022 1.00 0.00 N ATOM 0 H LYS A 66 18.595 32.542 27.020 1.00 0.00 H new ATOM 0 HA LYS A 66 18.400 29.657 26.640 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.454 31.498 27.958 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.640 29.760 27.842 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.575 31.717 25.519 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.996 30.924 26.167 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.640 29.517 24.394 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.587 28.710 25.538 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.624 29.923 24.653 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.647 30.860 23.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.592 29.041 22.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.275 28.817 22.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.283 27.909 23.478 1.00 0.00 H new ATOM 1079 N ASP A 67 17.457 30.956 29.406 1.00 0.00 N ATOM 1080 CA ASP A 67 16.928 30.753 30.764 1.00 0.00 C ATOM 1081 C ASP A 67 15.886 29.615 30.904 1.00 0.00 C ATOM 1082 O ASP A 67 15.468 28.978 29.929 1.00 0.00 O ATOM 1083 CB ASP A 67 16.383 32.084 31.334 1.00 0.00 C ATOM 1084 CG ASP A 67 15.129 32.670 30.653 1.00 0.00 C ATOM 1085 OD1 ASP A 67 14.563 32.069 29.711 1.00 0.00 O ATOM 1086 OD2 ASP A 67 14.681 33.753 31.105 1.00 0.00 O ATOM 0 H ASP A 67 17.236 31.880 29.035 1.00 0.00 H new ATOM 0 HA ASP A 67 17.778 30.416 31.357 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.158 31.935 32.390 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.178 32.828 31.280 1.00 0.00 H new ATOM 1091 N GLY A 68 15.482 29.339 32.149 1.00 0.00 N ATOM 1092 CA GLY A 68 14.643 28.195 32.522 1.00 0.00 C ATOM 1093 C GLY A 68 15.485 26.951 32.825 1.00 0.00 C ATOM 1094 O GLY A 68 15.438 25.964 32.085 1.00 0.00 O ATOM 0 H GLY A 68 15.737 29.921 32.947 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.045 28.452 33.396 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.947 27.975 31.713 1.00 0.00 H new ATOM 1098 N CYS A 69 16.281 27.016 33.896 1.00 0.00 N ATOM 1099 CA CYS A 69 17.104 25.903 34.378 1.00 0.00 C ATOM 1100 C CYS A 69 16.257 24.686 34.806 1.00 0.00 C ATOM 1101 O CYS A 69 15.079 24.813 35.164 1.00 0.00 O ATOM 1102 CB CYS A 69 18.018 26.406 35.509 1.00 0.00 C ATOM 1103 SG CYS A 69 17.066 27.017 36.931 1.00 0.00 S ATOM 0 H CYS A 69 16.373 27.859 34.463 1.00 0.00 H new ATOM 0 HA CYS A 69 17.725 25.545 33.556 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.674 25.598 35.832 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.658 27.204 35.131 1.00 0.00 H new ATOM 0 HG CYS A 69 17.882 27.427 37.856 1.00 0.00 H new ATOM 1109 N ASP A 70 16.853 23.493 34.752 1.00 0.00 N ATOM 1110 CA ASP A 70 16.171 22.218 34.999 1.00 0.00 C ATOM 1111 C ASP A 70 17.106 21.160 35.621 1.00 0.00 C ATOM 1112 O ASP A 70 18.330 21.203 35.462 1.00 0.00 O ATOM 1113 CB ASP A 70 15.520 21.727 33.691 1.00 0.00 C ATOM 1114 CG ASP A 70 14.336 20.764 33.899 1.00 0.00 C ATOM 1115 OD1 ASP A 70 13.949 20.478 35.058 1.00 0.00 O ATOM 1116 OD2 ASP A 70 13.782 20.293 32.881 1.00 0.00 O ATOM 0 H ASP A 70 17.843 23.383 34.531 1.00 0.00 H new ATOM 0 HA ASP A 70 15.388 22.381 35.740 1.00 0.00 H new ATOM 0 HB2 ASP A 70 15.176 22.591 33.123 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.277 21.229 33.086 1.00 0.00 H new ATOM 1121 N PHE A 71 16.515 20.240 36.382 1.00 0.00 N ATOM 1122 CA PHE A 71 17.185 19.401 37.383 1.00 0.00 C ATOM 1123 C PHE A 71 16.347 18.156 37.742 1.00 0.00 C ATOM 1124 O PHE A 71 15.185 18.036 37.351 1.00 0.00 O ATOM 1125 CB PHE A 71 17.496 20.263 38.630 1.00 0.00 C ATOM 1126 CG PHE A 71 16.456 21.317 38.984 1.00 0.00 C ATOM 1127 CD1 PHE A 71 15.250 20.953 39.613 1.00 0.00 C ATOM 1128 CD2 PHE A 71 16.681 22.667 38.641 1.00 0.00 C ATOM 1129 CE1 PHE A 71 14.281 21.932 39.904 1.00 0.00 C ATOM 1130 CE2 PHE A 71 15.711 23.643 38.929 1.00 0.00 C ATOM 1131 CZ PHE A 71 14.512 23.277 39.563 1.00 0.00 C ATOM 0 H PHE A 71 15.515 20.049 36.318 1.00 0.00 H new ATOM 0 HA PHE A 71 18.119 19.025 36.966 1.00 0.00 H new ATOM 0 HB2 PHE A 71 17.619 19.599 39.486 1.00 0.00 H new ATOM 0 HB3 PHE A 71 18.453 20.762 38.474 1.00 0.00 H new ATOM 0 HD1 PHE A 71 15.068 19.921 39.873 1.00 0.00 H new ATOM 0 HD2 PHE A 71 17.602 22.952 38.155 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.359 21.650 40.390 1.00 0.00 H new ATOM 0 HE2 PHE A 71 15.888 24.675 38.663 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.769 24.027 39.788 1.00 0.00 H new ATOM 1141 N GLU A 72 16.942 17.219 38.490 1.00 0.00 N ATOM 1142 CA GLU A 72 16.326 15.945 38.934 1.00 0.00 C ATOM 1143 C GLU A 72 15.858 15.017 37.783 1.00 0.00 C ATOM 1144 O GLU A 72 15.021 14.131 37.977 1.00 0.00 O ATOM 1145 CB GLU A 72 15.238 16.194 40.005 1.00 0.00 C ATOM 1146 CG GLU A 72 15.705 17.017 41.217 1.00 0.00 C ATOM 1147 CD GLU A 72 16.935 16.424 41.933 1.00 0.00 C ATOM 1148 OE1 GLU A 72 16.997 15.186 42.140 1.00 0.00 O ATOM 1149 OE2 GLU A 72 17.848 17.196 42.314 1.00 0.00 O ATOM 0 H GLU A 72 17.902 17.323 38.819 1.00 0.00 H new ATOM 0 HA GLU A 72 17.125 15.374 39.407 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.398 16.707 39.537 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.868 15.231 40.358 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.940 18.029 40.889 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.884 17.096 41.930 1.00 0.00 H new ATOM 1156 N GLY A 73 16.417 15.201 36.583 1.00 0.00 N ATOM 1157 CA GLY A 73 16.163 14.378 35.395 1.00 0.00 C ATOM 1158 C GLY A 73 16.881 14.940 34.168 1.00 0.00 C ATOM 1159 O GLY A 73 17.824 14.325 33.655 1.00 0.00 O ATOM 0 H GLY A 73 17.082 15.953 36.405 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.497 13.357 35.579 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.091 14.333 35.203 1.00 0.00 H new ATOM 1163 N ASN A 74 16.490 16.143 33.741 1.00 0.00 N ATOM 1164 CA ASN A 74 17.229 16.939 32.756 1.00 0.00 C ATOM 1165 C ASN A 74 18.455 17.626 33.388 1.00 0.00 C ATOM 1166 O ASN A 74 18.488 17.877 34.596 1.00 0.00 O ATOM 1167 CB ASN A 74 16.282 17.966 32.109 1.00 0.00 C ATOM 1168 CG ASN A 74 15.130 17.333 31.343 1.00 0.00 C ATOM 1169 OD1 ASN A 74 15.267 16.317 30.672 1.00 0.00 O ATOM 1170 ND2 ASN A 74 13.953 17.913 31.404 1.00 0.00 N ATOM 0 H ASN A 74 15.640 16.598 34.074 1.00 0.00 H new ATOM 0 HA ASN A 74 17.608 16.272 31.982 1.00 0.00 H new ATOM 0 HB2 ASN A 74 15.878 18.615 32.886 1.00 0.00 H new ATOM 0 HB3 ASN A 74 16.854 18.599 31.431 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.162 17.517 30.895 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.830 18.759 31.960 1.00 0.00 H new ATOM 1177 N LYS A 75 19.455 17.952 32.556 1.00 0.00 N ATOM 1178 CA LYS A 75 20.687 18.683 32.910 1.00 0.00 C ATOM 1179 C LYS A 75 20.783 19.960 32.063 1.00 0.00 C ATOM 1180 O LYS A 75 21.035 19.875 30.860 1.00 0.00 O ATOM 1181 CB LYS A 75 21.914 17.769 32.675 1.00 0.00 C ATOM 1182 CG LYS A 75 22.448 17.016 33.906 1.00 0.00 C ATOM 1183 CD LYS A 75 21.495 15.970 34.515 1.00 0.00 C ATOM 1184 CE LYS A 75 20.892 16.414 35.857 1.00 0.00 C ATOM 1185 NZ LYS A 75 21.898 16.405 36.954 1.00 0.00 N ATOM 0 H LYS A 75 19.428 17.702 31.568 1.00 0.00 H new ATOM 0 HA LYS A 75 20.664 18.966 33.962 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.653 17.036 31.912 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.722 18.378 32.269 1.00 0.00 H new ATOM 0 HG2 LYS A 75 23.376 16.517 33.629 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.696 17.746 34.676 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.689 15.768 33.810 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.035 15.034 34.658 1.00 0.00 H new ATOM 0 HE2 LYS A 75 20.478 17.417 35.754 1.00 0.00 H new ATOM 0 HE3 LYS A 75 20.065 15.753 36.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 21.448 16.711 37.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.275 15.443 37.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.675 17.055 36.718 1.00 0.00 H new ATOM 1199 N LEU A 76 20.556 21.127 32.682 1.00 0.00 N ATOM 1200 CA LEU A 76 20.821 22.470 32.129 1.00 0.00 C ATOM 1201 C LEU A 76 20.630 23.543 33.216 1.00 0.00 C ATOM 1202 O LEU A 76 19.576 23.603 33.853 1.00 0.00 O ATOM 1203 CB LEU A 76 19.866 22.770 30.942 1.00 0.00 C ATOM 1204 CG LEU A 76 20.586 22.843 29.582 1.00 0.00 C ATOM 1205 CD1 LEU A 76 19.577 22.753 28.438 1.00 0.00 C ATOM 1206 CD2 LEU A 76 21.371 24.150 29.432 1.00 0.00 C ATOM 0 H LEU A 76 20.165 21.166 33.623 1.00 0.00 H new ATOM 0 HA LEU A 76 21.851 22.492 31.774 1.00 0.00 H new ATOM 0 HB2 LEU A 76 19.099 21.997 30.898 1.00 0.00 H new ATOM 0 HB3 LEU A 76 19.355 23.715 31.126 1.00 0.00 H new ATOM 0 HG LEU A 76 21.279 22.002 29.541 1.00 0.00 H new ATOM 0 HD11 LEU A 76 20.102 22.806 27.484 1.00 0.00 H new ATOM 0 HD12 LEU A 76 19.037 21.808 28.503 1.00 0.00 H new ATOM 0 HD13 LEU A 76 18.871 23.580 28.510 1.00 0.00 H new ATOM 0 HD21 LEU A 76 21.866 24.168 28.461 1.00 0.00 H new ATOM 0 HD22 LEU A 76 20.687 24.996 29.506 1.00 0.00 H new ATOM 0 HD23 LEU A 76 22.119 24.218 30.222 1.00 0.00 H new ATOM 1218 N ARG A 77 21.604 24.444 33.391 1.00 0.00 N ATOM 1219 CA ARG A 77 21.498 25.639 34.251 1.00 0.00 C ATOM 1220 C ARG A 77 22.168 26.849 33.594 1.00 0.00 C ATOM 1221 O ARG A 77 23.208 26.726 32.954 1.00 0.00 O ATOM 1222 CB ARG A 77 22.034 25.320 35.664 1.00 0.00 C ATOM 1223 CG ARG A 77 21.922 26.513 36.632 1.00 0.00 C ATOM 1224 CD ARG A 77 22.133 26.129 38.104 1.00 0.00 C ATOM 1225 NE ARG A 77 20.909 25.530 38.682 1.00 0.00 N ATOM 1226 CZ ARG A 77 20.497 25.603 39.937 1.00 0.00 C ATOM 1227 NH1 ARG A 77 21.218 26.118 40.891 1.00 0.00 N ATOM 1228 NH2 ARG A 77 19.319 25.154 40.268 1.00 0.00 N ATOM 0 H ARG A 77 22.510 24.365 32.930 1.00 0.00 H new ATOM 0 HA ARG A 77 20.450 25.915 34.369 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.483 24.474 36.074 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.078 25.015 35.591 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.657 27.268 36.353 1.00 0.00 H new ATOM 0 HG3 ARG A 77 20.938 26.970 36.521 1.00 0.00 H new ATOM 0 HD2 ARG A 77 22.959 25.422 38.183 1.00 0.00 H new ATOM 0 HD3 ARG A 77 22.414 27.013 38.677 1.00 0.00 H new ATOM 0 HE ARG A 77 20.317 25.002 38.041 1.00 0.00 H new ATOM 0 HH11 ARG A 77 22.146 26.488 40.686 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.855 26.151 41.844 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.711 24.745 39.558 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.005 25.212 41.237 1.00 0.00 H new ATOM 1242 N VAL A 78 21.547 28.019 33.729 1.00 0.00 N ATOM 1243 CA VAL A 78 21.911 29.262 33.028 1.00 0.00 C ATOM 1244 C VAL A 78 21.649 30.446 33.962 1.00 0.00 C ATOM 1245 O VAL A 78 20.529 30.603 34.453 1.00 0.00 O ATOM 1246 CB VAL A 78 21.093 29.391 31.722 1.00 0.00 C ATOM 1247 CG1 VAL A 78 21.379 30.697 30.978 1.00 0.00 C ATOM 1248 CG2 VAL A 78 21.345 28.223 30.752 1.00 0.00 C ATOM 0 H VAL A 78 20.747 28.138 34.350 1.00 0.00 H new ATOM 0 HA VAL A 78 22.967 29.248 32.759 1.00 0.00 H new ATOM 0 HB VAL A 78 20.052 29.378 32.044 1.00 0.00 H new ATOM 0 HG11 VAL A 78 20.779 30.737 30.069 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.126 31.543 31.617 1.00 0.00 H new ATOM 0 HG13 VAL A 78 22.436 30.743 30.717 1.00 0.00 H new ATOM 0 HG21 VAL A 78 20.747 28.362 29.852 1.00 0.00 H new ATOM 0 HG22 VAL A 78 22.401 28.193 30.485 1.00 0.00 H new ATOM 0 HG23 VAL A 78 21.066 27.285 31.232 1.00 0.00 H new ATOM 1258 N GLU A 79 22.664 31.273 34.223 1.00 0.00 N ATOM 1259 CA GLU A 79 22.564 32.453 35.100 1.00 0.00 C ATOM 1260 C GLU A 79 23.666 33.488 34.784 1.00 0.00 C ATOM 1261 O GLU A 79 24.710 33.155 34.222 1.00 0.00 O ATOM 1262 CB GLU A 79 22.595 32.015 36.585 1.00 0.00 C ATOM 1263 CG GLU A 79 22.278 33.166 37.553 1.00 0.00 C ATOM 1264 CD GLU A 79 21.998 32.679 38.985 1.00 0.00 C ATOM 1265 OE1 GLU A 79 22.959 32.569 39.778 1.00 0.00 O ATOM 1266 OE2 GLU A 79 20.816 32.492 39.358 1.00 0.00 O ATOM 0 H GLU A 79 23.595 31.144 33.827 1.00 0.00 H new ATOM 0 HA GLU A 79 21.610 32.945 34.910 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.875 31.210 36.737 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.580 31.610 36.819 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.116 33.863 37.568 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.412 33.716 37.185 1.00 0.00 H new ATOM 1273 N VAL A 80 23.449 34.749 35.161 1.00 0.00 N ATOM 1274 CA VAL A 80 24.449 35.825 35.059 1.00 0.00 C ATOM 1275 C VAL A 80 24.706 36.475 36.427 1.00 0.00 C ATOM 1276 O VAL A 80 23.750 36.894 37.083 1.00 0.00 O ATOM 1277 CB VAL A 80 24.050 36.870 34.000 1.00 0.00 C ATOM 1278 CG1 VAL A 80 24.316 36.306 32.604 1.00 0.00 C ATOM 1279 CG2 VAL A 80 22.591 37.338 34.082 1.00 0.00 C ATOM 0 H VAL A 80 22.561 35.061 35.553 1.00 0.00 H new ATOM 0 HA VAL A 80 25.385 35.375 34.728 1.00 0.00 H new ATOM 0 HB VAL A 80 24.663 37.748 34.204 1.00 0.00 H new ATOM 0 HG11 VAL A 80 24.034 37.044 31.853 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.376 36.071 32.502 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.728 35.399 32.460 1.00 0.00 H new ATOM 0 HG21 VAL A 80 22.400 38.072 33.299 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.927 36.484 33.949 1.00 0.00 H new ATOM 0 HG23 VAL A 80 22.408 37.791 35.057 1.00 0.00 H new ATOM 1289 N PRO A 81 25.974 36.613 36.874 1.00 0.00 N ATOM 1290 CA PRO A 81 26.305 37.338 38.106 1.00 0.00 C ATOM 1291 C PRO A 81 26.089 38.858 37.968 1.00 0.00 C ATOM 1292 O PRO A 81 25.835 39.535 38.964 1.00 0.00 O ATOM 1293 CB PRO A 81 27.774 36.995 38.383 1.00 0.00 C ATOM 1294 CG PRO A 81 28.357 36.737 36.994 1.00 0.00 C ATOM 1295 CD PRO A 81 27.186 36.105 36.246 1.00 0.00 C ATOM 0 HA PRO A 81 25.654 37.043 38.929 1.00 0.00 H new ATOM 0 HB2 PRO A 81 28.288 37.814 38.887 1.00 0.00 H new ATOM 0 HB3 PRO A 81 27.866 36.119 39.024 1.00 0.00 H new ATOM 0 HG2 PRO A 81 28.690 37.659 36.518 1.00 0.00 H new ATOM 0 HG3 PRO A 81 29.218 36.070 37.035 1.00 0.00 H new ATOM 0 HD2 PRO A 81 27.214 36.367 35.188 1.00 0.00 H new ATOM 0 HD3 PRO A 81 27.228 35.017 36.306 1.00 0.00 H new ATOM 1303 N PHE A 82 26.171 39.395 36.744 1.00 0.00 N ATOM 1304 CA PHE A 82 26.008 40.825 36.453 1.00 0.00 C ATOM 1305 C PHE A 82 24.535 41.284 36.370 1.00 0.00 C ATOM 1306 O PHE A 82 24.232 42.415 36.750 1.00 0.00 O ATOM 1307 CB PHE A 82 26.791 41.160 35.171 1.00 0.00 C ATOM 1308 CG PHE A 82 26.376 40.416 33.910 1.00 0.00 C ATOM 1309 CD1 PHE A 82 25.303 40.893 33.140 1.00 0.00 C ATOM 1310 CD2 PHE A 82 27.097 39.288 33.469 1.00 0.00 C ATOM 1311 CE1 PHE A 82 24.950 40.257 31.937 1.00 0.00 C ATOM 1312 CE2 PHE A 82 26.766 38.678 32.246 1.00 0.00 C ATOM 1313 CZ PHE A 82 25.695 39.162 31.478 1.00 0.00 C ATOM 0 H PHE A 82 26.356 38.836 35.911 1.00 0.00 H new ATOM 0 HA PHE A 82 26.416 41.386 37.294 1.00 0.00 H new ATOM 0 HB2 PHE A 82 26.697 42.230 34.983 1.00 0.00 H new ATOM 0 HB3 PHE A 82 27.847 40.960 35.354 1.00 0.00 H new ATOM 0 HD1 PHE A 82 24.745 41.755 33.474 1.00 0.00 H new ATOM 0 HD2 PHE A 82 27.903 38.893 34.070 1.00 0.00 H new ATOM 0 HE1 PHE A 82 24.105 40.612 31.366 1.00 0.00 H new ATOM 0 HE2 PHE A 82 27.339 37.832 31.895 1.00 0.00 H new ATOM 0 HZ PHE A 82 25.446 38.693 30.538 1.00 0.00 H new ATOM 1323 N ASN A 83 23.624 40.411 35.911 1.00 0.00 N ATOM 1324 CA ASN A 83 22.174 40.648 35.789 1.00 0.00 C ATOM 1325 C ASN A 83 21.826 41.954 35.029 1.00 0.00 C ATOM 1326 O ASN A 83 21.308 42.914 35.609 1.00 0.00 O ATOM 1327 CB ASN A 83 21.524 40.495 37.180 1.00 0.00 C ATOM 1328 CG ASN A 83 20.020 40.280 37.111 1.00 0.00 C ATOM 1329 OD1 ASN A 83 19.512 39.189 37.321 1.00 0.00 O ATOM 1330 ND2 ASN A 83 19.257 41.306 36.803 1.00 0.00 N ATOM 0 H ASN A 83 23.889 39.477 35.600 1.00 0.00 H new ATOM 0 HA ASN A 83 21.733 39.888 35.144 1.00 0.00 H new ATOM 0 HB2 ASN A 83 21.983 39.653 37.699 1.00 0.00 H new ATOM 0 HB3 ASN A 83 21.732 41.386 37.772 1.00 0.00 H new ATOM 0 HD21 ASN A 83 18.246 41.189 36.740 1.00 0.00 H new ATOM 0 HD22 ASN A 83 19.677 42.219 36.627 1.00 0.00 H new ATOM 1337 N ALA A 84 22.109 41.974 33.720 1.00 0.00 N ATOM 1338 CA ALA A 84 22.006 43.152 32.841 1.00 0.00 C ATOM 1339 C ALA A 84 22.816 44.367 33.370 1.00 0.00 C ATOM 1340 O ALA A 84 23.899 44.186 33.934 1.00 0.00 O ATOM 1341 CB ALA A 84 20.521 43.421 32.534 1.00 0.00 C ATOM 0 H ALA A 84 22.428 41.142 33.224 1.00 0.00 H new ATOM 0 HA ALA A 84 22.489 42.948 31.885 1.00 0.00 H new ATOM 0 HB1 ALA A 84 20.436 44.292 31.884 1.00 0.00 H new ATOM 0 HB2 ALA A 84 20.089 42.553 32.036 1.00 0.00 H new ATOM 0 HB3 ALA A 84 19.985 43.609 33.464 1.00 0.00 H new ATOM 1347 N ARG A 85 22.336 45.605 33.153 1.00 0.00 N ATOM 1348 CA ARG A 85 23.011 46.851 33.582 1.00 0.00 C ATOM 1349 C ARG A 85 22.010 47.966 33.910 1.00 0.00 C ATOM 1350 O ARG A 85 22.088 48.570 34.979 1.00 0.00 O ATOM 1351 CB ARG A 85 24.024 47.275 32.493 1.00 0.00 C ATOM 1352 CG ARG A 85 25.278 48.003 33.002 1.00 0.00 C ATOM 1353 CD ARG A 85 25.003 49.413 33.539 1.00 0.00 C ATOM 1354 NE ARG A 85 26.260 50.150 33.772 1.00 0.00 N ATOM 1355 CZ ARG A 85 26.373 51.409 34.160 1.00 0.00 C ATOM 1356 NH1 ARG A 85 25.330 52.153 34.406 1.00 0.00 N ATOM 1357 NH2 ARG A 85 27.547 51.950 34.314 1.00 0.00 N ATOM 0 H ARG A 85 21.455 45.774 32.668 1.00 0.00 H new ATOM 0 HA ARG A 85 23.550 46.661 34.510 1.00 0.00 H new ATOM 0 HB2 ARG A 85 24.338 46.385 31.948 1.00 0.00 H new ATOM 0 HB3 ARG A 85 23.514 47.922 31.780 1.00 0.00 H new ATOM 0 HG2 ARG A 85 25.737 47.407 33.791 1.00 0.00 H new ATOM 0 HG3 ARG A 85 26.003 48.069 32.190 1.00 0.00 H new ATOM 0 HD2 ARG A 85 24.383 49.961 32.829 1.00 0.00 H new ATOM 0 HD3 ARG A 85 24.439 49.347 34.470 1.00 0.00 H new ATOM 0 HE ARG A 85 27.128 49.637 33.618 1.00 0.00 H new ATOM 0 HH11 ARG A 85 24.392 51.767 34.301 1.00 0.00 H new ATOM 0 HH12 ARG A 85 25.453 53.121 34.704 1.00 0.00 H new ATOM 0 HH21 ARG A 85 28.388 51.402 34.135 1.00 0.00 H new ATOM 0 HH22 ARG A 85 27.625 52.922 34.614 1.00 0.00 H new ATOM 1371 N GLU A 86 21.059 48.214 33.006 1.00 0.00 N ATOM 1372 CA GLU A 86 19.932 49.156 33.182 1.00 0.00 C ATOM 1373 C GLU A 86 18.877 48.665 34.194 1.00 0.00 C ATOM 1374 O GLU A 86 18.390 49.508 34.984 1.00 0.00 O ATOM 1375 CB GLU A 86 19.274 49.443 31.818 1.00 0.00 C ATOM 1376 CG GLU A 86 20.205 50.148 30.811 1.00 0.00 C ATOM 1377 CD GLU A 86 20.720 51.523 31.302 1.00 0.00 C ATOM 1378 OE1 GLU A 86 19.908 52.374 31.743 1.00 0.00 O ATOM 1379 OE2 GLU A 86 21.947 51.778 31.220 1.00 0.00 O ATOM 1380 OXT GLU A 86 18.532 47.460 34.192 1.00 0.00 O ATOM 0 H GLU A 86 21.045 47.752 32.097 1.00 0.00 H new ATOM 0 HA GLU A 86 20.349 50.074 33.597 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.933 48.503 31.385 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.390 50.061 31.975 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.058 49.502 30.604 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.672 50.284 29.870 1.00 0.00 H new TER 1387 GLU A 86 ATOM 1388 O5' A B 101 24.270 25.010 43.968 1.00 0.00 O ATOM 1389 C5' A B 101 24.260 24.370 42.693 1.00 0.00 C ATOM 1390 C4' A B 101 24.832 25.257 41.573 1.00 0.00 C ATOM 1391 O4' A B 101 24.059 26.439 41.367 1.00 0.00 O ATOM 1392 C3' A B 101 26.270 25.717 41.829 1.00 0.00 C ATOM 1393 O3' A B 101 27.249 24.737 41.505 1.00 0.00 O ATOM 1394 C2' A B 101 26.316 26.921 40.887 1.00 0.00 C ATOM 1395 O2' A B 101 26.495 26.522 39.537 1.00 0.00 O ATOM 1396 C1' A B 101 24.916 27.534 41.046 1.00 0.00 C ATOM 1397 N9 A B 101 24.841 28.589 42.104 1.00 0.00 N ATOM 1398 C8 A B 101 25.862 29.250 42.762 1.00 0.00 C ATOM 1399 N7 A B 101 25.468 30.159 43.615 1.00 0.00 N ATOM 1400 C5 A B 101 24.070 30.097 43.519 1.00 0.00 C ATOM 1401 C6 A B 101 22.997 30.784 44.144 1.00 0.00 C ATOM 1402 N6 A B 101 23.127 31.736 45.051 1.00 0.00 N ATOM 1403 N1 A B 101 21.727 30.513 43.844 1.00 0.00 N ATOM 1404 C2 A B 101 21.495 29.565 42.942 1.00 0.00 C ATOM 1405 N3 A B 101 22.388 28.841 42.270 1.00 0.00 N ATOM 1406 C4 A B 101 23.677 29.150 42.606 1.00 0.00 C ATOM 0 H5' A B 101 23.237 24.090 42.441 1.00 0.00 H new ATOM 0 H5'' A B 101 24.838 23.448 42.750 1.00 0.00 H new ATOM 0 H4' A B 101 24.802 24.611 40.695 1.00 0.00 H new ATOM 0 H3' A B 101 26.498 25.926 42.874 1.00 0.00 H new ATOM 0 H2' A B 101 27.139 27.597 41.121 1.00 0.00 H new ATOM 0 HO2' A B 101 26.867 25.616 39.510 1.00 0.00 H new ATOM 0 HO5' A B 101 23.895 24.404 44.641 1.00 0.00 H new ATOM 0 H1' A B 101 24.627 28.045 40.128 1.00 0.00 H new ATOM 0 H8 A B 101 26.905 29.032 42.585 1.00 0.00 H new ATOM 0 H61 A B 101 22.298 32.178 45.449 1.00 0.00 H new ATOM 0 H62 A B 101 24.056 32.029 45.353 1.00 0.00 H new ATOM 0 H2 A B 101 20.457 29.357 42.728 1.00 0.00 H new ATOM 1419 P C B 102 28.768 24.923 41.976 1.00 0.00 P ATOM 1420 OP1 C B 102 29.534 23.743 41.516 1.00 0.00 O ATOM 1421 OP2 C B 102 28.761 25.252 43.422 1.00 0.00 O ATOM 1422 O5' C B 102 29.268 26.234 41.181 1.00 0.00 O ATOM 1423 C5' C B 102 30.000 26.162 39.963 1.00 0.00 C ATOM 1424 C4' C B 102 30.490 27.548 39.509 1.00 0.00 C ATOM 1425 O4' C B 102 29.472 28.325 38.868 1.00 0.00 O ATOM 1426 C3' C B 102 31.025 28.393 40.684 1.00 0.00 C ATOM 1427 O3' C B 102 32.240 29.028 40.315 1.00 0.00 O ATOM 1428 C2' C B 102 29.900 29.433 40.823 1.00 0.00 C ATOM 1429 O2' C B 102 30.253 30.610 41.551 1.00 0.00 O ATOM 1430 C1' C B 102 29.625 29.659 39.338 1.00 0.00 C ATOM 1431 N1 C B 102 28.469 30.558 39.077 1.00 0.00 N ATOM 1432 C2 C B 102 28.718 31.910 38.793 1.00 0.00 C ATOM 1433 O2 C B 102 29.858 32.328 38.577 1.00 0.00 O ATOM 1434 N3 C B 102 27.700 32.806 38.759 1.00 0.00 N ATOM 1435 C4 C B 102 26.476 32.369 38.964 1.00 0.00 C ATOM 1436 N4 C B 102 25.556 33.290 38.993 1.00 0.00 N ATOM 1437 C5 C B 102 26.148 31.004 39.179 1.00 0.00 C ATOM 1438 C6 C B 102 27.174 30.118 39.214 1.00 0.00 C ATOM 0 H5' C B 102 29.372 25.726 39.186 1.00 0.00 H new ATOM 0 H5'' C B 102 30.855 25.498 40.091 1.00 0.00 H new ATOM 0 H4' C B 102 31.286 27.327 38.798 1.00 0.00 H new ATOM 0 H3' C B 102 31.242 27.831 41.593 1.00 0.00 H new ATOM 0 H2' C B 102 29.043 29.115 41.417 1.00 0.00 H new ATOM 0 HO2' C B 102 29.945 31.402 41.062 1.00 0.00 H new ATOM 0 H1' C B 102 30.415 30.198 38.815 1.00 0.00 H new ATOM 0 H41 C B 102 24.581 33.032 39.147 1.00 0.00 H new ATOM 0 H42 C B 102 25.810 34.269 38.862 1.00 0.00 H new ATOM 0 H5 C B 102 25.124 30.685 39.309 1.00 0.00 H new ATOM 0 H6 C B 102 26.973 29.065 39.350 1.00 0.00 H new ATOM 1450 P A B 103 33.650 28.299 40.446 1.00 0.00 P ATOM 1451 OP1 A B 103 34.066 27.879 39.085 1.00 0.00 O ATOM 1452 OP2 A B 103 33.607 27.297 41.541 1.00 0.00 O ATOM 1453 O5' A B 103 34.489 29.576 40.965 1.00 0.00 O ATOM 1454 C5' A B 103 35.869 29.785 40.715 1.00 0.00 C ATOM 1455 C4' A B 103 36.218 29.905 39.223 1.00 0.00 C ATOM 1456 O4' A B 103 35.259 30.650 38.474 1.00 0.00 O ATOM 1457 C3' A B 103 37.582 30.572 39.007 1.00 0.00 C ATOM 1458 O3' A B 103 38.195 29.967 37.880 1.00 0.00 O ATOM 1459 C2' A B 103 37.156 32.026 38.745 1.00 0.00 C ATOM 1460 O2' A B 103 38.126 32.815 38.058 1.00 0.00 O ATOM 1461 C1' A B 103 35.888 31.795 37.922 1.00 0.00 C ATOM 1462 N9 A B 103 34.938 32.935 37.902 1.00 0.00 N ATOM 1463 C8 A B 103 34.384 33.531 36.796 1.00 0.00 C ATOM 1464 N7 A B 103 33.450 34.408 37.061 1.00 0.00 N ATOM 1465 C5 A B 103 33.393 34.396 38.464 1.00 0.00 C ATOM 1466 C6 A B 103 32.625 35.076 39.441 1.00 0.00 C ATOM 1467 N6 A B 103 31.673 35.953 39.183 1.00 0.00 N ATOM 1468 N1 A B 103 32.838 34.898 40.742 1.00 0.00 N ATOM 1469 C2 A B 103 33.768 34.026 41.101 1.00 0.00 C ATOM 1470 N3 A B 103 34.556 33.300 40.313 1.00 0.00 N ATOM 1471 C4 A B 103 34.318 33.526 38.986 1.00 0.00 C ATOM 0 H5' A B 103 36.436 28.960 41.146 1.00 0.00 H new ATOM 0 H5'' A B 103 36.188 30.693 41.227 1.00 0.00 H new ATOM 0 H4' A B 103 36.230 28.875 38.866 1.00 0.00 H new ATOM 0 H3' A B 103 38.305 30.489 39.818 1.00 0.00 H new ATOM 0 H2' A B 103 37.019 32.609 39.656 1.00 0.00 H new ATOM 0 HO2' A B 103 38.683 32.234 37.499 1.00 0.00 H new ATOM 0 H1' A B 103 36.178 31.667 36.879 1.00 0.00 H new ATOM 0 H8 A B 103 34.694 33.295 35.789 1.00 0.00 H new ATOM 0 H61 A B 103 31.168 36.397 39.949 1.00 0.00 H new ATOM 0 H62 A B 103 31.443 36.186 38.217 1.00 0.00 H new ATOM 0 H2 A B 103 33.903 33.888 42.164 1.00 0.00 H new ATOM 1483 P U B 104 38.812 28.489 37.958 1.00 0.00 P ATOM 1484 OP1 U B 104 37.976 27.596 37.123 1.00 0.00 O ATOM 1485 OP2 U B 104 39.014 28.132 39.382 1.00 0.00 O ATOM 1486 O5' U B 104 40.257 28.676 37.285 1.00 0.00 O ATOM 1487 C5' U B 104 40.455 29.481 36.128 1.00 0.00 C ATOM 1488 C4' U B 104 39.954 28.848 34.828 1.00 0.00 C ATOM 1489 O4' U B 104 38.675 29.365 34.455 1.00 0.00 O ATOM 1490 C3' U B 104 40.943 29.171 33.703 1.00 0.00 C ATOM 1491 O3' U B 104 41.946 28.167 33.554 1.00 0.00 O ATOM 1492 C2' U B 104 40.024 29.257 32.478 1.00 0.00 C ATOM 1493 O2' U B 104 39.876 27.987 31.855 1.00 0.00 O ATOM 1494 C1' U B 104 38.662 29.650 33.062 1.00 0.00 C ATOM 1495 N1 U B 104 38.214 31.061 32.810 1.00 0.00 N ATOM 1496 C2 U B 104 38.855 32.136 33.453 1.00 0.00 C ATOM 1497 O2 U B 104 39.959 32.069 33.990 1.00 0.00 O ATOM 1498 N3 U B 104 38.201 33.351 33.458 1.00 0.00 N ATOM 1499 C4 U B 104 36.997 33.623 32.859 1.00 0.00 C ATOM 1500 O4 U B 104 36.470 34.724 33.006 1.00 0.00 O ATOM 1501 C5 U B 104 36.453 32.514 32.105 1.00 0.00 C ATOM 1502 C6 U B 104 37.046 31.286 32.107 1.00 0.00 C ATOM 0 H5' U B 104 41.519 29.697 36.027 1.00 0.00 H new ATOM 0 H5'' U B 104 39.949 30.435 36.273 1.00 0.00 H new ATOM 0 H4' U B 104 39.869 27.773 34.987 1.00 0.00 H new ATOM 0 H3' U B 104 41.517 30.080 33.882 1.00 0.00 H new ATOM 0 H2' U B 104 40.418 29.951 31.735 1.00 0.00 H new ATOM 0 HO2' U B 104 40.592 27.389 32.156 1.00 0.00 H new ATOM 0 H1' U B 104 37.921 29.053 32.529 1.00 0.00 H new ATOM 0 H3 U B 104 38.655 34.119 33.953 1.00 0.00 H new ATOM 0 H5 U B 104 35.554 32.663 31.526 1.00 0.00 H new ATOM 0 H6 U B 104 36.596 30.477 31.551 1.00 0.00 H new ATOM 1513 P C B 105 43.493 28.464 33.865 1.00 0.00 P ATOM 1514 OP1 C B 105 43.815 29.825 33.377 1.00 0.00 O ATOM 1515 OP2 C B 105 44.258 27.318 33.312 1.00 0.00 O ATOM 1516 O5' C B 105 43.642 28.461 35.478 1.00 0.00 O ATOM 1517 C5' C B 105 44.541 27.572 36.133 1.00 0.00 C ATOM 1518 C4' C B 105 44.832 27.885 37.615 1.00 0.00 C ATOM 1519 O4' C B 105 45.428 29.173 37.754 1.00 0.00 O ATOM 1520 C3' C B 105 43.604 27.827 38.543 1.00 0.00 C ATOM 1521 O3' C B 105 43.909 27.336 39.853 1.00 0.00 O ATOM 1522 C2' C B 105 43.223 29.314 38.613 1.00 0.00 C ATOM 1523 O2' C B 105 42.512 29.693 39.794 1.00 0.00 O ATOM 1524 C1' C B 105 44.567 30.036 38.488 1.00 0.00 C ATOM 1525 N1 C B 105 44.395 31.362 37.816 1.00 0.00 N ATOM 1526 C2 C B 105 44.037 32.476 38.592 1.00 0.00 C ATOM 1527 O2 C B 105 43.899 32.400 39.814 1.00 0.00 O ATOM 1528 N3 C B 105 43.828 33.686 38.010 1.00 0.00 N ATOM 1529 C4 C B 105 43.972 33.791 36.704 1.00 0.00 C ATOM 1530 N4 C B 105 43.756 34.976 36.202 1.00 0.00 N ATOM 1531 C5 C B 105 44.354 32.709 35.867 1.00 0.00 C ATOM 1532 C6 C B 105 44.557 31.504 36.457 1.00 0.00 C ATOM 0 H5' C B 105 45.485 27.573 35.588 1.00 0.00 H new ATOM 0 H5'' C B 105 44.136 26.562 36.067 1.00 0.00 H new ATOM 0 H4' C B 105 45.512 27.092 37.927 1.00 0.00 H new ATOM 0 H3' C B 105 42.829 27.153 38.179 1.00 0.00 H new ATOM 0 H2' C B 105 42.515 29.574 37.826 1.00 0.00 H new ATOM 0 HO2' C B 105 42.755 30.609 40.042 1.00 0.00 H new ATOM 0 H1' C B 105 44.997 30.249 39.467 1.00 0.00 H new ATOM 0 H41 C B 105 43.850 35.129 35.198 1.00 0.00 H new ATOM 0 H42 C B 105 43.494 35.749 36.814 1.00 0.00 H new ATOM 0 H5 C B 105 44.478 32.840 34.802 1.00 0.00 H new ATOM 0 H6 C B 105 44.847 30.653 35.858 1.00 0.00 H new ATOM 1544 P A B 106 44.418 25.845 40.141 1.00 0.00 P ATOM 1545 OP1 A B 106 43.896 24.941 39.086 1.00 0.00 O ATOM 1546 OP2 A B 106 44.145 25.521 41.560 1.00 0.00 O ATOM 1547 O5' A B 106 46.004 25.952 39.946 1.00 0.00 O ATOM 1548 C5' A B 106 46.755 26.935 40.647 1.00 0.00 C ATOM 1549 C4' A B 106 48.202 26.985 40.148 1.00 0.00 C ATOM 1550 O4' A B 106 48.295 27.156 38.744 1.00 0.00 O ATOM 1551 C3' A B 106 48.963 28.189 40.711 1.00 0.00 C ATOM 1552 O3' A B 106 49.412 28.007 42.047 1.00 0.00 O ATOM 1553 C2' A B 106 50.130 28.322 39.714 1.00 0.00 C ATOM 1554 O2' A B 106 51.324 27.688 40.181 1.00 0.00 O ATOM 1555 C1' A B 106 49.625 27.575 38.464 1.00 0.00 C ATOM 1556 N9 A B 106 49.689 28.424 37.251 1.00 0.00 N ATOM 1557 C8 A B 106 48.658 28.930 36.491 1.00 0.00 C ATOM 1558 N7 A B 106 49.044 29.593 35.429 1.00 0.00 N ATOM 1559 C5 A B 106 50.445 29.500 35.489 1.00 0.00 C ATOM 1560 C6 A B 106 51.519 29.953 34.679 1.00 0.00 C ATOM 1561 N6 A B 106 51.397 30.650 33.564 1.00 0.00 N ATOM 1562 N1 A B 106 52.788 29.690 34.997 1.00 0.00 N ATOM 1563 C2 A B 106 53.018 28.984 36.097 1.00 0.00 C ATOM 1564 N3 A B 106 52.124 28.490 36.956 1.00 0.00 N ATOM 1565 C4 A B 106 50.842 28.788 36.590 1.00 0.00 C ATOM 0 H5' A B 106 46.743 26.713 41.714 1.00 0.00 H new ATOM 0 H5'' A B 106 46.289 27.912 40.519 1.00 0.00 H new ATOM 0 H4' A B 106 48.619 26.032 40.472 1.00 0.00 H new ATOM 0 H3' A B 106 48.342 29.081 40.791 1.00 0.00 H new ATOM 0 H2' A B 106 50.388 29.368 39.546 1.00 0.00 H new ATOM 0 HO2' A B 106 51.231 27.476 41.133 1.00 0.00 H new ATOM 0 HO3' A B 106 49.890 28.809 42.344 1.00 0.00 H new ATOM 0 H1' A B 106 50.261 26.716 38.251 1.00 0.00 H new ATOM 0 H8 A B 106 47.618 28.792 36.749 1.00 0.00 H new ATOM 0 H61 A B 106 52.229 30.933 33.046 1.00 0.00 H new ATOM 0 H62 A B 106 50.471 30.905 33.221 1.00 0.00 H new ATOM 0 H2 A B 106 54.055 28.785 36.325 1.00 0.00 H new TER 1578 A B 106