USER MOD reduce.3.24.130724 H: found=0, std=0, add=1054, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1052 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 64 GLN : amide:sc= 0.483 K(o=4,f=1.6) USER MOD Set 1.2: A 65 ASN : amide:sc= 1.95 K(o=4,f=-0.77) USER MOD Set 1.3: B 65 ASN : amide:sc= 1.58 K(o=4,f=1.6) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 169:sc= 0 (180deg=-0.118) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.25) USER MOD Single : A 9 THR OG1 : rot 160:sc= 0.0545 USER MOD Single : A -3 GLY N :NH3+ -128:sc= 0.0706 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0908 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : B 0 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -168:sc= 0 (180deg=-0.144) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ -166:sc= 1.24 (180deg=1.17) USER MOD Single : B 9 THR OG1 : rot 120:sc= 0.94 USER MOD Single : B -3 GLY N :NH3+ -113:sc= 0.0863 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot -170:sc= 0.573 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 64 GLN : amide:sc= 0.682 K(o=0.68,f=-0.0098) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 13.794 0.054 1.217 1.00 0.00 N ATOM 2 CA GLY A -3 13.130 1.079 0.380 1.00 0.00 C ATOM 3 C GLY A -3 12.856 2.367 1.154 1.00 0.00 C ATOM 4 O GLY A -3 13.075 2.417 2.370 1.00 0.00 O ATOM 0 H1 GLY A -3 14.647 -0.291 0.732 1.00 0.00 H new ATOM 0 H2 GLY A -3 14.061 0.472 2.131 1.00 0.00 H new ATOM 0 H3 GLY A -3 13.141 -0.740 1.377 1.00 0.00 H new ATOM 0 HA2 GLY A -3 13.757 1.302 -0.483 1.00 0.00 H new ATOM 0 HA3 GLY A -3 12.191 0.680 -0.003 1.00 0.00 H new ATOM 10 N PRO A -2 12.381 3.432 0.475 1.00 0.00 N ATOM 11 CA PRO A -2 12.153 4.750 1.086 1.00 0.00 C ATOM 12 C PRO A -2 10.913 4.824 2.005 1.00 0.00 C ATOM 13 O PRO A -2 10.816 5.748 2.813 1.00 0.00 O ATOM 14 CB PRO A -2 12.010 5.704 -0.105 1.00 0.00 C ATOM 15 CG PRO A -2 11.399 4.825 -1.197 1.00 0.00 C ATOM 16 CD PRO A -2 12.092 3.481 -0.952 1.00 0.00 C ATOM 0 HA PRO A -2 12.978 5.002 1.752 1.00 0.00 H new ATOM 0 HB2 PRO A -2 11.367 6.551 0.135 1.00 0.00 H new ATOM 0 HB3 PRO A -2 12.974 6.112 -0.410 1.00 0.00 H new ATOM 0 HG2 PRO A -2 10.316 4.749 -1.100 1.00 0.00 H new ATOM 0 HG3 PRO A -2 11.604 5.213 -2.195 1.00 0.00 H new ATOM 0 HD2 PRO A -2 11.450 2.651 -1.249 1.00 0.00 H new ATOM 0 HD3 PRO A -2 13.007 3.401 -1.538 1.00 0.00 H new ATOM 24 N GLY A -1 9.968 3.879 1.899 1.00 0.00 N ATOM 25 CA GLY A -1 8.668 3.943 2.582 1.00 0.00 C ATOM 26 C GLY A -1 7.697 4.944 1.935 1.00 0.00 C ATOM 27 O GLY A -1 7.832 5.287 0.755 1.00 0.00 O ATOM 0 H GLY A -1 10.086 3.040 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A -1 8.214 2.952 2.580 1.00 0.00 H new ATOM 0 HA3 GLY A -1 8.825 4.220 3.625 1.00 0.00 H new ATOM 31 N SER A 0 6.697 5.404 2.695 1.00 0.00 N ATOM 32 CA SER A 0 5.665 6.336 2.221 1.00 0.00 C ATOM 33 C SER A 0 6.242 7.705 1.841 1.00 0.00 C ATOM 34 O SER A 0 6.976 8.316 2.623 1.00 0.00 O ATOM 35 CB SER A 0 4.579 6.530 3.286 1.00 0.00 C ATOM 36 OG SER A 0 3.978 5.289 3.621 1.00 0.00 O ATOM 0 H SER A 0 6.579 5.136 3.672 1.00 0.00 H new ATOM 0 HA SER A 0 5.234 5.888 1.326 1.00 0.00 H new ATOM 0 HB2 SER A 0 5.014 6.982 4.178 1.00 0.00 H new ATOM 0 HB3 SER A 0 3.820 7.220 2.917 1.00 0.00 H new ATOM 0 HG SER A 0 3.289 5.433 4.303 1.00 0.00 H new ATOM 42 N MET A 1 5.891 8.208 0.655 1.00 0.00 N ATOM 43 CA MET A 1 6.234 9.553 0.182 1.00 0.00 C ATOM 44 C MET A 1 5.126 10.569 0.501 1.00 0.00 C ATOM 45 O MET A 1 3.934 10.258 0.452 1.00 0.00 O ATOM 46 CB MET A 1 6.523 9.566 -1.330 1.00 0.00 C ATOM 47 CG MET A 1 7.807 8.820 -1.690 1.00 0.00 C ATOM 48 SD MET A 1 8.323 8.990 -3.425 1.00 0.00 S ATOM 49 CE MET A 1 8.860 10.729 -3.454 1.00 0.00 C ATOM 0 H MET A 1 5.345 7.676 -0.023 1.00 0.00 H new ATOM 0 HA MET A 1 7.139 9.845 0.715 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.684 9.115 -1.860 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.599 10.598 -1.673 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.612 9.179 -1.049 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.671 7.762 -1.468 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.383 10.933 -4.388 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.989 11.380 -3.377 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.529 10.917 -2.615 1.00 0.00 H new ATOM 59 N CYS A 2 5.551 11.801 0.757 1.00 0.00 N ATOM 60 CA CYS A 2 4.740 12.996 0.983 1.00 0.00 C ATOM 61 C CYS A 2 5.325 14.180 0.178 1.00 0.00 C ATOM 62 O CYS A 2 6.440 14.101 -0.347 1.00 0.00 O ATOM 63 CB CYS A 2 4.742 13.300 2.496 1.00 0.00 C ATOM 64 SG CYS A 2 4.016 12.057 3.596 1.00 0.00 S ATOM 0 H CYS A 2 6.548 12.008 0.817 1.00 0.00 H new ATOM 0 HA CYS A 2 3.715 12.837 0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 2 5.774 13.462 2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.211 14.239 2.652 1.00 0.00 H new ATOM 69 N MET A 3 4.605 15.301 0.116 1.00 0.00 N ATOM 70 CA MET A 3 5.059 16.585 -0.446 1.00 0.00 C ATOM 71 C MET A 3 4.643 17.754 0.459 1.00 0.00 C ATOM 72 O MET A 3 3.600 17.703 1.119 1.00 0.00 O ATOM 73 CB MET A 3 4.503 16.787 -1.869 1.00 0.00 C ATOM 74 CG MET A 3 5.328 16.052 -2.932 1.00 0.00 C ATOM 75 SD MET A 3 4.500 15.808 -4.527 1.00 0.00 S ATOM 76 CE MET A 3 4.508 17.509 -5.160 1.00 0.00 C ATOM 0 H MET A 3 3.649 15.347 0.469 1.00 0.00 H new ATOM 0 HA MET A 3 6.147 16.561 -0.501 1.00 0.00 H new ATOM 0 HB2 MET A 3 3.472 16.435 -1.906 1.00 0.00 H new ATOM 0 HB3 MET A 3 4.484 17.852 -2.100 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.250 16.609 -3.102 1.00 0.00 H new ATOM 0 HG3 MET A 3 5.613 15.077 -2.537 1.00 0.00 H new ATOM 0 HE1 MET A 3 4.032 17.535 -6.140 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.961 18.155 -4.474 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.536 17.860 -5.247 1.00 0.00 H new ATOM 86 N ALA A 4 5.453 18.812 0.466 1.00 0.00 N ATOM 87 CA ALA A 4 5.205 20.048 1.209 1.00 0.00 C ATOM 88 C ALA A 4 5.800 21.272 0.485 1.00 0.00 C ATOM 89 O ALA A 4 6.521 21.132 -0.509 1.00 0.00 O ATOM 90 CB ALA A 4 5.794 19.894 2.619 1.00 0.00 C ATOM 0 H ALA A 4 6.326 18.834 -0.061 1.00 0.00 H new ATOM 0 HA ALA A 4 4.131 20.221 1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.619 20.807 3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.316 19.054 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.866 19.712 2.547 1.00 0.00 H new ATOM 96 N LYS A 5 5.522 22.477 1.001 1.00 0.00 N ATOM 97 CA LYS A 5 6.256 23.708 0.667 1.00 0.00 C ATOM 98 C LYS A 5 7.069 24.224 1.857 1.00 0.00 C ATOM 99 O LYS A 5 6.625 24.131 3.001 1.00 0.00 O ATOM 100 CB LYS A 5 5.333 24.784 0.063 1.00 0.00 C ATOM 101 CG LYS A 5 4.329 25.413 1.040 1.00 0.00 C ATOM 102 CD LYS A 5 3.594 26.585 0.380 1.00 0.00 C ATOM 103 CE LYS A 5 2.714 27.317 1.399 1.00 0.00 C ATOM 104 NZ LYS A 5 2.118 28.536 0.797 1.00 0.00 N1+ ATOM 0 H LYS A 5 4.769 22.628 1.673 1.00 0.00 H new ATOM 0 HA LYS A 5 6.976 23.455 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.953 25.577 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.780 24.341 -0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.609 24.661 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.850 25.760 1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.317 27.279 -0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.979 26.218 -0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.923 26.653 1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.308 27.589 2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.553 29.036 1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.876 29.161 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.507 28.266 -0.000 1.00 0.00 H new ATOM 118 N VAL A 6 8.239 24.798 1.588 1.00 0.00 N ATOM 119 CA VAL A 6 9.010 25.605 2.551 1.00 0.00 C ATOM 120 C VAL A 6 8.600 27.071 2.423 1.00 0.00 C ATOM 121 O VAL A 6 8.386 27.553 1.309 1.00 0.00 O ATOM 122 CB VAL A 6 10.526 25.418 2.341 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.389 26.446 3.086 1.00 0.00 C ATOM 124 CG2 VAL A 6 10.922 24.032 2.854 1.00 0.00 C ATOM 0 H VAL A 6 8.693 24.718 0.678 1.00 0.00 H new ATOM 0 HA VAL A 6 8.788 25.268 3.563 1.00 0.00 H new ATOM 0 HB VAL A 6 10.707 25.546 1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.443 26.248 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.138 27.449 2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.201 26.371 4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.993 23.884 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.682 23.954 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.374 23.269 2.301 1.00 0.00 H new ATOM 134 N VAL A 7 8.535 27.790 3.543 1.00 0.00 N ATOM 135 CA VAL A 7 8.353 29.253 3.597 1.00 0.00 C ATOM 136 C VAL A 7 9.311 29.885 4.615 1.00 0.00 C ATOM 137 O VAL A 7 9.558 29.338 5.693 1.00 0.00 O ATOM 138 CB VAL A 7 6.870 29.622 3.819 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.328 29.186 5.187 1.00 0.00 C ATOM 140 CG2 VAL A 7 6.632 31.130 3.672 1.00 0.00 C ATOM 0 H VAL A 7 8.609 27.366 4.468 1.00 0.00 H new ATOM 0 HA VAL A 7 8.620 29.680 2.630 1.00 0.00 H new ATOM 0 HB VAL A 7 6.333 29.075 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.281 29.478 5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.412 28.104 5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.905 29.667 5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.577 31.349 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.232 31.666 4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.918 31.447 2.669 1.00 0.00 H new ATOM 150 N LEU A 8 9.877 31.036 4.254 1.00 0.00 N ATOM 151 CA LEU A 8 10.904 31.764 5.017 1.00 0.00 C ATOM 152 C LEU A 8 10.853 33.273 4.735 1.00 0.00 C ATOM 153 O LEU A 8 10.268 33.715 3.745 1.00 0.00 O ATOM 154 CB LEU A 8 12.293 31.159 4.703 1.00 0.00 C ATOM 155 CG LEU A 8 12.827 31.362 3.263 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.683 32.626 3.116 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.711 30.182 2.857 1.00 0.00 C ATOM 0 H LEU A 8 9.626 31.511 3.387 1.00 0.00 H new ATOM 0 HA LEU A 8 10.707 31.650 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.016 31.586 5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.252 30.088 4.904 1.00 0.00 H new ATOM 0 HG LEU A 8 11.944 31.449 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.028 32.714 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.087 33.501 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.543 32.563 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.080 30.336 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.555 30.106 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.129 29.261 2.895 1.00 0.00 H new ATOM 169 N THR A 9 11.517 34.064 5.582 1.00 0.00 N ATOM 170 CA THR A 9 11.688 35.519 5.388 1.00 0.00 C ATOM 171 C THR A 9 13.137 35.931 5.668 1.00 0.00 C ATOM 172 O THR A 9 13.719 35.547 6.685 1.00 0.00 O ATOM 173 CB THR A 9 10.707 36.321 6.266 1.00 0.00 C ATOM 174 OG1 THR A 9 9.376 35.872 6.070 1.00 0.00 O ATOM 175 CG2 THR A 9 10.706 37.814 5.935 1.00 0.00 C ATOM 0 H THR A 9 11.958 33.715 6.433 1.00 0.00 H new ATOM 0 HA THR A 9 11.460 35.749 4.347 1.00 0.00 H new ATOM 0 HB THR A 9 11.043 36.166 7.291 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.824 36.144 6.832 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.998 38.330 6.583 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.705 38.222 6.091 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.415 37.956 4.894 1.00 0.00 H new ATOM 183 N LYS A 10 13.725 36.716 4.755 1.00 0.00 N ATOM 184 CA LYS A 10 15.100 37.242 4.836 1.00 0.00 C ATOM 185 C LYS A 10 15.266 38.253 5.978 1.00 0.00 C ATOM 186 O LYS A 10 14.292 38.862 6.429 1.00 0.00 O ATOM 187 CB LYS A 10 15.483 37.903 3.493 1.00 0.00 C ATOM 188 CG LYS A 10 15.484 36.926 2.305 1.00 0.00 C ATOM 189 CD LYS A 10 15.743 37.686 0.999 1.00 0.00 C ATOM 190 CE LYS A 10 15.516 36.752 -0.189 1.00 0.00 C ATOM 191 NZ LYS A 10 15.843 37.413 -1.478 1.00 0.00 N1+ ATOM 0 H LYS A 10 13.241 37.015 3.908 1.00 0.00 H new ATOM 0 HA LYS A 10 15.763 36.402 5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.786 38.714 3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 10 16.473 38.350 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.251 36.165 2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.527 36.407 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.079 38.548 0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.764 38.068 0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.130 35.859 -0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.476 36.425 -0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.677 36.749 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.240 38.251 -1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.842 37.703 -1.476 1.00 0.00 H new ATOM 205 N ALA A 11 16.512 38.530 6.355 1.00 0.00 N ATOM 206 CA ALA A 11 16.863 39.610 7.285 1.00 0.00 C ATOM 207 C ALA A 11 16.478 41.011 6.752 1.00 0.00 C ATOM 208 O ALA A 11 16.202 41.930 7.525 1.00 0.00 O ATOM 209 CB ALA A 11 18.370 39.519 7.565 1.00 0.00 C ATOM 0 H ALA A 11 17.320 38.005 6.021 1.00 0.00 H new ATOM 0 HA ALA A 11 16.292 39.483 8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.660 40.311 8.255 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.600 38.550 8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.921 39.631 6.631 1.00 0.00 H new ATOM 215 N ASP A 12 16.409 41.165 5.426 1.00 0.00 N ATOM 216 CA ASP A 12 15.922 42.356 4.722 1.00 0.00 C ATOM 217 C ASP A 12 14.381 42.474 4.674 1.00 0.00 C ATOM 218 O ASP A 12 13.845 43.471 4.173 1.00 0.00 O ATOM 219 CB ASP A 12 16.503 42.325 3.296 1.00 0.00 C ATOM 220 CG ASP A 12 18.040 42.455 3.216 1.00 0.00 C ATOM 221 OD1 ASP A 12 18.695 42.934 4.175 1.00 0.00 O ATOM 222 OD2 ASP A 12 18.603 42.095 2.153 1.00 0.00 O1- ATOM 0 H ASP A 12 16.705 40.429 4.785 1.00 0.00 H new ATOM 0 HA ASP A 12 16.256 43.234 5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.207 41.391 2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.054 43.134 2.719 1.00 0.00 H new ATOM 227 N GLY A 13 13.647 41.469 5.176 1.00 0.00 N ATOM 228 CA GLY A 13 12.177 41.410 5.197 1.00 0.00 C ATOM 229 C GLY A 13 11.536 40.818 3.937 1.00 0.00 C ATOM 230 O GLY A 13 10.311 40.843 3.801 1.00 0.00 O ATOM 0 H GLY A 13 14.077 40.644 5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.864 40.819 6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.790 42.418 5.344 1.00 0.00 H new ATOM 234 N GLY A 14 12.337 40.286 3.008 1.00 0.00 N ATOM 235 CA GLY A 14 11.853 39.645 1.781 1.00 0.00 C ATOM 236 C GLY A 14 11.336 38.223 2.050 1.00 0.00 C ATOM 237 O GLY A 14 12.105 37.359 2.471 1.00 0.00 O ATOM 0 H GLY A 14 13.354 40.289 3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.055 40.247 1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.659 39.607 1.048 1.00 0.00 H new ATOM 241 N ARG A 15 10.042 37.977 1.828 1.00 0.00 N ATOM 242 CA ARG A 15 9.407 36.658 2.016 1.00 0.00 C ATOM 243 C ARG A 15 9.556 35.775 0.777 1.00 0.00 C ATOM 244 O ARG A 15 9.419 36.251 -0.351 1.00 0.00 O ATOM 245 CB ARG A 15 7.945 36.851 2.449 1.00 0.00 C ATOM 246 CG ARG A 15 7.331 35.570 3.038 1.00 0.00 C ATOM 247 CD ARG A 15 5.982 35.894 3.685 1.00 0.00 C ATOM 248 NE ARG A 15 5.381 34.715 4.338 1.00 0.00 N ATOM 249 CZ ARG A 15 5.627 34.273 5.560 1.00 0.00 C ATOM 250 NH1 ARG A 15 6.554 34.778 6.324 1.00 0.00 N1+ ATOM 251 NH2 ARG A 15 4.926 33.290 6.052 1.00 0.00 N ATOM 0 H ARG A 15 9.392 38.695 1.508 1.00 0.00 H new ATOM 0 HA ARG A 15 9.922 36.121 2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.891 37.649 3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.355 37.172 1.591 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.199 34.825 2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.006 35.139 3.778 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.115 36.687 4.421 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.299 36.275 2.926 1.00 0.00 H new ATOM 0 HE ARG A 15 4.704 34.185 3.789 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.129 35.550 5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.705 34.401 7.260 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.187 32.861 5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.116 32.950 6.995 1.00 0.00 H new ATOM 265 N VAL A 16 9.833 34.488 0.988 1.00 0.00 N ATOM 266 CA VAL A 16 10.143 33.490 -0.050 1.00 0.00 C ATOM 267 C VAL A 16 9.467 32.156 0.277 1.00 0.00 C ATOM 268 O VAL A 16 9.401 31.758 1.440 1.00 0.00 O ATOM 269 CB VAL A 16 11.675 33.309 -0.195 1.00 0.00 C ATOM 270 CG1 VAL A 16 12.068 32.246 -1.232 1.00 0.00 C ATOM 271 CG2 VAL A 16 12.382 34.613 -0.596 1.00 0.00 C ATOM 0 H VAL A 16 9.850 34.090 1.927 1.00 0.00 H new ATOM 0 HA VAL A 16 9.754 33.849 -1.003 1.00 0.00 H new ATOM 0 HB VAL A 16 11.996 32.987 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.154 32.171 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.651 31.282 -0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.678 32.530 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.453 34.434 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.992 34.959 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.203 35.373 0.165 1.00 0.00 H new ATOM 281 N GLU A 17 8.998 31.435 -0.745 1.00 0.00 N ATOM 282 CA GLU A 17 8.476 30.064 -0.619 1.00 0.00 C ATOM 283 C GLU A 17 8.895 29.163 -1.798 1.00 0.00 C ATOM 284 O GLU A 17 9.083 29.631 -2.927 1.00 0.00 O ATOM 285 CB GLU A 17 6.949 30.051 -0.391 1.00 0.00 C ATOM 286 CG GLU A 17 6.139 30.752 -1.490 1.00 0.00 C ATOM 287 CD GLU A 17 4.611 30.629 -1.307 1.00 0.00 C ATOM 288 OE1 GLU A 17 4.125 30.174 -0.243 1.00 0.00 O ATOM 289 OE2 GLU A 17 3.869 30.992 -2.252 1.00 0.00 O1- ATOM 0 H GLU A 17 8.968 31.790 -1.701 1.00 0.00 H new ATOM 0 HA GLU A 17 8.936 29.635 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.614 29.017 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.732 30.529 0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.410 31.808 -1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.415 30.332 -2.457 1.00 0.00 H new ATOM 296 N ILE A 18 9.039 27.862 -1.521 1.00 0.00 N ATOM 297 CA ILE A 18 9.470 26.820 -2.472 1.00 0.00 C ATOM 298 C ILE A 18 8.503 25.634 -2.361 1.00 0.00 C ATOM 299 O ILE A 18 8.381 25.047 -1.285 1.00 0.00 O ATOM 300 CB ILE A 18 10.926 26.368 -2.192 1.00 0.00 C ATOM 301 CG1 ILE A 18 11.933 27.531 -2.345 1.00 0.00 C ATOM 302 CG2 ILE A 18 11.335 25.200 -3.115 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.270 27.257 -1.652 1.00 0.00 C ATOM 0 H ILE A 18 8.852 27.487 -0.591 1.00 0.00 H new ATOM 0 HA ILE A 18 9.451 27.224 -3.484 1.00 0.00 H new ATOM 0 HB ILE A 18 10.953 26.029 -1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.110 27.715 -3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.496 28.440 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.361 24.905 -2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.670 24.353 -2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.263 25.516 -4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.935 28.109 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.102 27.102 -0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.726 26.365 -2.081 1.00 0.00 H new ATOM 315 N GLY A 19 7.828 25.273 -3.456 1.00 0.00 N ATOM 316 CA GLY A 19 6.890 24.138 -3.527 1.00 0.00 C ATOM 317 C GLY A 19 7.552 22.804 -3.903 1.00 0.00 C ATOM 318 O GLY A 19 8.726 22.758 -4.282 1.00 0.00 O ATOM 0 H GLY A 19 7.918 25.771 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.396 24.027 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.114 24.366 -4.258 1.00 0.00 H new ATOM 322 N ASP A 20 6.780 21.714 -3.843 1.00 0.00 N ATOM 323 CA ASP A 20 7.168 20.362 -4.286 1.00 0.00 C ATOM 324 C ASP A 20 8.424 19.809 -3.583 1.00 0.00 C ATOM 325 O ASP A 20 9.230 19.089 -4.175 1.00 0.00 O ATOM 326 CB ASP A 20 7.220 20.288 -5.826 1.00 0.00 C ATOM 327 CG ASP A 20 5.979 20.859 -6.540 1.00 0.00 C ATOM 328 OD1 ASP A 20 4.845 20.791 -6.000 1.00 0.00 O ATOM 329 OD2 ASP A 20 6.120 21.364 -7.683 1.00 0.00 O1- ATOM 0 H ASP A 20 5.831 21.746 -3.471 1.00 0.00 H new ATOM 0 HA ASP A 20 6.384 19.678 -3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.102 20.827 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.346 19.247 -6.122 1.00 0.00 H new ATOM 334 N VAL A 21 8.613 20.154 -2.309 1.00 0.00 N ATOM 335 CA VAL A 21 9.775 19.777 -1.490 1.00 0.00 C ATOM 336 C VAL A 21 9.671 18.314 -1.045 1.00 0.00 C ATOM 337 O VAL A 21 8.636 17.893 -0.522 1.00 0.00 O ATOM 338 CB VAL A 21 9.924 20.741 -0.295 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.099 20.364 0.609 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.147 22.176 -0.791 1.00 0.00 C ATOM 0 H VAL A 21 7.940 20.724 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 21 10.679 19.864 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 21 9.000 20.669 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.163 21.071 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.948 19.359 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.024 20.393 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.250 22.844 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.054 22.216 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.295 22.489 -1.395 1.00 0.00 H new ATOM 350 N LEU A 22 10.762 17.555 -1.216 1.00 0.00 N ATOM 351 CA LEU A 22 10.901 16.180 -0.710 1.00 0.00 C ATOM 352 C LEU A 22 11.736 16.084 0.577 1.00 0.00 C ATOM 353 O LEU A 22 11.582 15.117 1.325 1.00 0.00 O ATOM 354 CB LEU A 22 11.483 15.262 -1.796 1.00 0.00 C ATOM 355 CG LEU A 22 10.546 14.963 -2.986 1.00 0.00 C ATOM 356 CD1 LEU A 22 11.217 13.908 -3.867 1.00 0.00 C ATOM 357 CD2 LEU A 22 9.182 14.399 -2.572 1.00 0.00 C ATOM 0 H LEU A 22 11.587 17.883 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 22 9.896 15.847 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.396 15.717 -2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.768 14.317 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 22 10.375 15.911 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.573 13.680 -4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.172 14.290 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.385 13.002 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.580 14.214 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.324 13.464 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.671 15.117 -1.930 1.00 0.00 H new ATOM 369 N GLU A 23 12.586 17.068 0.889 1.00 0.00 N ATOM 370 CA GLU A 23 13.340 17.100 2.155 1.00 0.00 C ATOM 371 C GLU A 23 13.877 18.492 2.516 1.00 0.00 C ATOM 372 O GLU A 23 14.187 19.310 1.644 1.00 0.00 O ATOM 373 CB GLU A 23 14.501 16.080 2.129 1.00 0.00 C ATOM 374 CG GLU A 23 15.504 16.285 0.984 1.00 0.00 C ATOM 375 CD GLU A 23 16.446 15.082 0.890 1.00 0.00 C ATOM 376 OE1 GLU A 23 16.181 14.176 0.060 1.00 0.00 O ATOM 377 OE2 GLU A 23 17.429 15.024 1.663 1.00 0.00 O1- ATOM 0 H GLU A 23 12.773 17.863 0.277 1.00 0.00 H new ATOM 0 HA GLU A 23 12.626 16.827 2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.036 16.133 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.084 15.076 2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.971 16.414 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.079 17.195 1.152 1.00 0.00 H new ATOM 384 N VAL A 24 14.025 18.721 3.826 1.00 0.00 N ATOM 385 CA VAL A 24 14.566 19.937 4.445 1.00 0.00 C ATOM 386 C VAL A 24 15.549 19.550 5.551 1.00 0.00 C ATOM 387 O VAL A 24 15.253 18.684 6.377 1.00 0.00 O ATOM 388 CB VAL A 24 13.449 20.828 5.021 1.00 0.00 C ATOM 389 CG1 VAL A 24 13.990 22.179 5.514 1.00 0.00 C ATOM 390 CG2 VAL A 24 12.353 21.127 3.992 1.00 0.00 C ATOM 0 H VAL A 24 13.756 18.025 4.521 1.00 0.00 H new ATOM 0 HA VAL A 24 15.081 20.511 3.674 1.00 0.00 H new ATOM 0 HB VAL A 24 13.033 20.259 5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.170 22.776 5.912 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.730 22.011 6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.455 22.710 4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.589 21.758 4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.788 21.643 3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.901 20.192 3.660 1.00 0.00 H new ATOM 400 N ARG A 25 16.729 20.185 5.582 1.00 0.00 N ATOM 401 CA ARG A 25 17.823 19.870 6.518 1.00 0.00 C ATOM 402 C ARG A 25 18.363 21.141 7.175 1.00 0.00 C ATOM 403 O ARG A 25 18.785 22.055 6.465 1.00 0.00 O ATOM 404 CB ARG A 25 18.959 19.125 5.781 1.00 0.00 C ATOM 405 CG ARG A 25 18.511 17.936 4.908 1.00 0.00 C ATOM 406 CD ARG A 25 19.707 17.060 4.522 1.00 0.00 C ATOM 407 NE ARG A 25 19.286 15.839 3.804 1.00 0.00 N ATOM 408 CZ ARG A 25 19.798 14.627 3.894 1.00 0.00 C ATOM 409 NH1 ARG A 25 20.785 14.318 4.689 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 19.310 13.683 3.152 1.00 0.00 N ATOM 0 H ARG A 25 16.957 20.948 4.945 1.00 0.00 H new ATOM 0 HA ARG A 25 17.426 19.224 7.301 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.489 19.838 5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 25 19.673 18.762 6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 25 17.777 17.339 5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 25 18.020 18.305 4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 25 20.389 17.633 3.894 1.00 0.00 H new ATOM 0 HD3 ARG A 25 20.258 16.781 5.420 1.00 0.00 H new ATOM 0 HE ARG A 25 18.503 15.947 3.159 1.00 0.00 H new ATOM 0 HH11 ARG A 25 21.203 15.033 5.285 1.00 0.00 H new ATOM 0 HH12 ARG A 25 21.139 13.362 4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.542 13.883 2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 25 19.694 12.740 3.209 1.00 0.00 H new ATOM 424 N ALA A 26 18.371 21.206 8.505 1.00 0.00 N ATOM 425 CA ALA A 26 19.048 22.272 9.249 1.00 0.00 C ATOM 426 C ALA A 26 20.506 21.891 9.575 1.00 0.00 C ATOM 427 O ALA A 26 20.801 20.776 9.999 1.00 0.00 O ATOM 428 CB ALA A 26 18.247 22.601 10.514 1.00 0.00 C ATOM 0 H ALA A 26 17.907 20.520 9.101 1.00 0.00 H new ATOM 0 HA ALA A 26 19.094 23.166 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.750 23.394 11.067 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.246 22.932 10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.174 21.712 11.140 1.00 0.00 H new ATOM 434 N GLU A 27 21.416 22.852 9.413 1.00 0.00 N ATOM 435 CA GLU A 27 22.837 22.787 9.798 1.00 0.00 C ATOM 436 C GLU A 27 23.173 23.764 10.946 1.00 0.00 C ATOM 437 O GLU A 27 24.343 24.027 11.239 1.00 0.00 O ATOM 438 CB GLU A 27 23.732 23.018 8.559 1.00 0.00 C ATOM 439 CG GLU A 27 23.450 22.044 7.398 1.00 0.00 C ATOM 440 CD GLU A 27 24.494 22.119 6.262 1.00 0.00 C ATOM 441 OE1 GLU A 27 25.253 23.113 6.152 1.00 0.00 O ATOM 442 OE2 GLU A 27 24.550 21.169 5.436 1.00 0.00 O1- ATOM 0 H GLU A 27 21.174 23.747 8.987 1.00 0.00 H new ATOM 0 HA GLU A 27 23.040 21.788 10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.591 24.040 8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.777 22.924 8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 27 23.421 21.026 7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 27 22.463 22.257 6.988 1.00 0.00 H new ATOM 449 N GLY A 28 22.141 24.338 11.582 1.00 0.00 N ATOM 450 CA GLY A 28 22.217 25.388 12.612 1.00 0.00 C ATOM 451 C GLY A 28 22.565 26.766 12.033 1.00 0.00 C ATOM 452 O GLY A 28 21.761 27.698 12.088 1.00 0.00 O ATOM 0 H GLY A 28 21.178 24.068 11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.262 25.449 13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.967 25.110 13.353 1.00 0.00 H new ATOM 456 N GLY A 29 23.735 26.873 11.398 1.00 0.00 N ATOM 457 CA GLY A 29 24.183 28.063 10.658 1.00 0.00 C ATOM 458 C GLY A 29 23.505 28.258 9.293 1.00 0.00 C ATOM 459 O GLY A 29 23.727 29.286 8.654 1.00 0.00 O ATOM 0 H GLY A 29 24.418 26.115 11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.999 28.946 11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 29 25.261 27.998 10.508 1.00 0.00 H new ATOM 463 N ALA A 30 22.686 27.304 8.830 1.00 0.00 N ATOM 464 CA ALA A 30 21.927 27.356 7.575 1.00 0.00 C ATOM 465 C ALA A 30 20.771 26.335 7.546 1.00 0.00 C ATOM 466 O ALA A 30 20.760 25.372 8.317 1.00 0.00 O ATOM 467 CB ALA A 30 22.886 27.094 6.400 1.00 0.00 C ATOM 0 H ALA A 30 22.528 26.437 9.343 1.00 0.00 H new ATOM 0 HA ALA A 30 21.481 28.347 7.492 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.331 27.131 5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.666 27.855 6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.341 26.110 6.514 1.00 0.00 H new ATOM 473 N VAL A 31 19.856 26.493 6.585 1.00 0.00 N ATOM 474 CA VAL A 31 18.896 25.454 6.145 1.00 0.00 C ATOM 475 C VAL A 31 19.057 25.161 4.652 1.00 0.00 C ATOM 476 O VAL A 31 19.294 26.072 3.851 1.00 0.00 O ATOM 477 CB VAL A 31 17.435 25.817 6.501 1.00 0.00 C ATOM 478 CG1 VAL A 31 16.400 24.862 5.893 1.00 0.00 C ATOM 479 CG2 VAL A 31 17.228 25.762 8.020 1.00 0.00 C ATOM 0 H VAL A 31 19.753 27.369 6.072 1.00 0.00 H new ATOM 0 HA VAL A 31 19.130 24.542 6.695 1.00 0.00 H new ATOM 0 HB VAL A 31 17.284 26.817 6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.398 25.178 6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.484 24.879 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.581 23.850 6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.196 26.020 8.256 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.442 24.756 8.380 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.899 26.471 8.505 1.00 0.00 H new ATOM 489 N ARG A 32 18.905 23.891 4.273 1.00 0.00 N ATOM 490 CA ARG A 32 18.934 23.370 2.896 1.00 0.00 C ATOM 491 C ARG A 32 17.616 22.670 2.549 1.00 0.00 C ATOM 492 O ARG A 32 16.975 22.083 3.419 1.00 0.00 O ATOM 493 CB ARG A 32 20.131 22.418 2.733 1.00 0.00 C ATOM 494 CG ARG A 32 21.478 23.157 2.822 1.00 0.00 C ATOM 495 CD ARG A 32 22.657 22.204 3.037 1.00 0.00 C ATOM 496 NE ARG A 32 22.904 21.317 1.891 1.00 0.00 N ATOM 497 CZ ARG A 32 23.809 20.358 1.831 1.00 0.00 C ATOM 498 NH1 ARG A 32 24.584 20.046 2.833 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 23.924 19.692 0.726 1.00 0.00 N ATOM 0 H ARG A 32 18.749 23.150 4.957 1.00 0.00 H new ATOM 0 HA ARG A 32 19.051 24.202 2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 32 20.089 21.649 3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.060 21.910 1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.638 23.726 1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.441 23.875 3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.556 22.788 3.236 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.468 21.598 3.923 1.00 0.00 H new ATOM 0 HE ARG A 32 22.322 21.456 1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 32 24.506 20.552 3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.268 19.296 2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 32 23.324 19.914 -0.068 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.615 18.945 0.650 1.00 0.00 H new ATOM 513 N VAL A 33 17.211 22.744 1.282 1.00 0.00 N ATOM 514 CA VAL A 33 15.897 22.318 0.759 1.00 0.00 C ATOM 515 C VAL A 33 16.089 21.624 -0.592 1.00 0.00 C ATOM 516 O VAL A 33 16.805 22.155 -1.439 1.00 0.00 O ATOM 517 CB VAL A 33 14.970 23.545 0.580 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.579 23.159 0.074 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.797 24.362 1.867 1.00 0.00 C ATOM 0 H VAL A 33 17.814 23.120 0.550 1.00 0.00 H new ATOM 0 HA VAL A 33 15.439 21.628 1.467 1.00 0.00 H new ATOM 0 HB VAL A 33 15.476 24.158 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.969 24.056 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.668 22.662 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.107 22.483 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.137 25.208 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.363 23.731 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.768 24.728 2.199 1.00 0.00 H new ATOM 529 N THR A 34 15.427 20.483 -0.834 1.00 0.00 N ATOM 530 CA THR A 34 15.503 19.752 -2.116 1.00 0.00 C ATOM 531 C THR A 34 14.116 19.363 -2.646 1.00 0.00 C ATOM 532 O THR A 34 13.279 18.833 -1.909 1.00 0.00 O ATOM 533 CB THR A 34 16.425 18.521 -2.016 1.00 0.00 C ATOM 534 OG1 THR A 34 17.731 18.903 -1.635 1.00 0.00 O ATOM 535 CG2 THR A 34 16.563 17.756 -3.335 1.00 0.00 C ATOM 0 H THR A 34 14.821 20.036 -0.146 1.00 0.00 H new ATOM 0 HA THR A 34 15.943 20.439 -2.839 1.00 0.00 H new ATOM 0 HB THR A 34 15.954 17.877 -1.273 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.300 18.108 -1.576 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.225 16.902 -3.193 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.582 17.405 -3.656 1.00 0.00 H new ATOM 0 HG23 THR A 34 16.980 18.416 -4.096 1.00 0.00 H new ATOM 543 N THR A 35 13.869 19.620 -3.934 1.00 0.00 N ATOM 544 CA THR A 35 12.572 19.387 -4.608 1.00 0.00 C ATOM 545 C THR A 35 12.434 18.003 -5.258 1.00 0.00 C ATOM 546 O THR A 35 13.410 17.278 -5.490 1.00 0.00 O ATOM 547 CB THR A 35 12.277 20.471 -5.667 1.00 0.00 C ATOM 548 OG1 THR A 35 13.106 20.314 -6.798 1.00 0.00 O ATOM 549 CG2 THR A 35 12.449 21.893 -5.125 1.00 0.00 C ATOM 0 H THR A 35 14.577 20.005 -4.559 1.00 0.00 H new ATOM 0 HA THR A 35 11.839 19.439 -3.803 1.00 0.00 H new ATOM 0 HB THR A 35 11.232 20.336 -5.946 1.00 0.00 H new ATOM 0 HG1 THR A 35 12.899 21.011 -7.455 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.228 22.612 -5.914 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.766 22.049 -4.290 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.475 22.031 -4.785 1.00 0.00 H new ATOM 557 N LEU A 36 11.194 17.670 -5.634 1.00 0.00 N ATOM 558 CA LEU A 36 10.798 16.530 -6.470 1.00 0.00 C ATOM 559 C LEU A 36 11.523 16.488 -7.829 1.00 0.00 C ATOM 560 O LEU A 36 11.738 15.412 -8.386 1.00 0.00 O ATOM 561 CB LEU A 36 9.268 16.640 -6.633 1.00 0.00 C ATOM 562 CG LEU A 36 8.595 15.640 -7.598 1.00 0.00 C ATOM 563 CD1 LEU A 36 8.769 14.188 -7.157 1.00 0.00 C ATOM 564 CD2 LEU A 36 7.095 15.921 -7.658 1.00 0.00 C ATOM 0 H LEU A 36 10.389 18.225 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 36 11.085 15.593 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.813 16.522 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.035 17.649 -6.973 1.00 0.00 H new ATOM 0 HG LEU A 36 9.075 15.772 -8.568 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.276 13.529 -7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.831 13.946 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.324 14.051 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.620 15.215 -8.339 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.664 15.811 -6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.929 16.937 -8.015 1.00 0.00 H new ATOM 576 N PHE A 37 11.929 17.655 -8.338 1.00 0.00 N ATOM 577 CA PHE A 37 12.615 17.832 -9.619 1.00 0.00 C ATOM 578 C PHE A 37 14.138 18.018 -9.481 1.00 0.00 C ATOM 579 O PHE A 37 14.802 18.502 -10.403 1.00 0.00 O ATOM 580 CB PHE A 37 11.900 18.928 -10.424 1.00 0.00 C ATOM 581 CG PHE A 37 10.418 18.638 -10.575 1.00 0.00 C ATOM 582 CD1 PHE A 37 9.993 17.609 -11.441 1.00 0.00 C ATOM 583 CD2 PHE A 37 9.469 19.321 -9.785 1.00 0.00 C ATOM 584 CE1 PHE A 37 8.634 17.258 -11.502 1.00 0.00 C ATOM 585 CE2 PHE A 37 8.110 18.969 -9.853 1.00 0.00 C ATOM 586 CZ PHE A 37 7.692 17.936 -10.708 1.00 0.00 C ATOM 0 H PHE A 37 11.782 18.537 -7.848 1.00 0.00 H new ATOM 0 HA PHE A 37 12.544 16.907 -10.191 1.00 0.00 H new ATOM 0 HB2 PHE A 37 12.034 19.889 -9.928 1.00 0.00 H new ATOM 0 HB3 PHE A 37 12.357 19.012 -11.410 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.713 17.091 -12.057 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.788 20.116 -9.127 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.312 16.465 -12.161 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.386 19.494 -9.247 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.648 17.663 -10.756 1.00 0.00 H new ATOM 596 N ASP A 38 14.698 17.604 -8.334 1.00 0.00 N ATOM 597 CA ASP A 38 16.133 17.573 -8.012 1.00 0.00 C ATOM 598 C ASP A 38 16.844 18.948 -8.018 1.00 0.00 C ATOM 599 O ASP A 38 18.056 19.043 -8.231 1.00 0.00 O ATOM 600 CB ASP A 38 16.839 16.492 -8.858 1.00 0.00 C ATOM 601 CG ASP A 38 18.206 16.032 -8.304 1.00 0.00 C ATOM 602 OD1 ASP A 38 19.027 15.519 -9.104 1.00 0.00 O ATOM 603 OD2 ASP A 38 18.451 16.116 -7.076 1.00 0.00 O1- ATOM 0 H ASP A 38 14.128 17.262 -7.561 1.00 0.00 H new ATOM 0 HA ASP A 38 16.213 17.288 -6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.183 15.625 -8.936 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.982 16.876 -9.868 1.00 0.00 H new ATOM 608 N GLU A 39 16.098 20.038 -7.797 1.00 0.00 N ATOM 609 CA GLU A 39 16.665 21.364 -7.507 1.00 0.00 C ATOM 610 C GLU A 39 16.993 21.485 -6.010 1.00 0.00 C ATOM 611 O GLU A 39 16.143 21.211 -5.157 1.00 0.00 O ATOM 612 CB GLU A 39 15.692 22.490 -7.914 1.00 0.00 C ATOM 613 CG GLU A 39 15.328 22.517 -9.408 1.00 0.00 C ATOM 614 CD GLU A 39 16.537 22.670 -10.356 1.00 0.00 C ATOM 615 OE1 GLU A 39 16.480 22.165 -11.505 1.00 0.00 O ATOM 616 OE2 GLU A 39 17.545 23.323 -9.990 1.00 0.00 O1- ATOM 0 H GLU A 39 15.078 20.026 -7.814 1.00 0.00 H new ATOM 0 HA GLU A 39 17.579 21.470 -8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.776 22.387 -7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.135 23.449 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.800 21.597 -9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.636 23.340 -9.586 1.00 0.00 H new ATOM 623 N GLU A 40 18.218 21.901 -5.679 1.00 0.00 N ATOM 624 CA GLU A 40 18.641 22.208 -4.304 1.00 0.00 C ATOM 625 C GLU A 40 18.717 23.727 -4.069 1.00 0.00 C ATOM 626 O GLU A 40 19.203 24.480 -4.919 1.00 0.00 O ATOM 627 CB GLU A 40 19.977 21.511 -3.983 1.00 0.00 C ATOM 628 CG GLU A 40 20.436 21.742 -2.531 1.00 0.00 C ATOM 629 CD GLU A 40 21.679 20.921 -2.115 1.00 0.00 C ATOM 630 OE1 GLU A 40 22.367 20.315 -2.970 1.00 0.00 O ATOM 631 OE2 GLU A 40 21.996 20.891 -0.899 1.00 0.00 O1- ATOM 0 H GLU A 40 18.958 22.037 -6.368 1.00 0.00 H new ATOM 0 HA GLU A 40 17.889 21.818 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 40 19.875 20.441 -4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 40 20.745 21.876 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 40 20.654 22.801 -2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 40 19.613 21.498 -1.859 1.00 0.00 H new ATOM 638 N HIS A 41 18.273 24.169 -2.889 1.00 0.00 N ATOM 639 CA HIS A 41 18.306 25.558 -2.419 1.00 0.00 C ATOM 640 C HIS A 41 18.932 25.617 -1.021 1.00 0.00 C ATOM 641 O HIS A 41 18.766 24.680 -0.237 1.00 0.00 O ATOM 642 CB HIS A 41 16.878 26.138 -2.423 1.00 0.00 C ATOM 643 CG HIS A 41 16.105 25.902 -3.702 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.143 26.711 -4.845 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.290 24.835 -3.950 1.00 0.00 C ATOM 646 CE1 HIS A 41 15.322 26.129 -5.735 1.00 0.00 C ATOM 647 NE2 HIS A 41 14.802 24.998 -5.229 1.00 0.00 N ATOM 0 H HIS A 41 17.861 23.538 -2.202 1.00 0.00 H new ATOM 0 HA HIS A 41 18.920 26.162 -3.087 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.321 25.704 -1.592 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.936 27.211 -2.242 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.070 24.021 -3.275 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.109 26.516 -6.720 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.158 24.369 -5.708 1.00 0.00 H new ATOM 655 N ALA A 42 19.627 26.706 -0.685 1.00 0.00 N ATOM 656 CA ALA A 42 20.295 26.877 0.606 1.00 0.00 C ATOM 657 C ALA A 42 20.195 28.328 1.113 1.00 0.00 C ATOM 658 O ALA A 42 20.319 29.277 0.333 1.00 0.00 O ATOM 659 CB ALA A 42 21.749 26.411 0.480 1.00 0.00 C ATOM 0 H ALA A 42 19.743 27.504 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 42 19.792 26.264 1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.255 26.535 1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 42 21.771 25.360 0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.257 27.006 -0.279 1.00 0.00 H new ATOM 665 N PHE A 43 19.992 28.490 2.425 1.00 0.00 N ATOM 666 CA PHE A 43 19.697 29.769 3.080 1.00 0.00 C ATOM 667 C PHE A 43 20.461 29.889 4.414 1.00 0.00 C ATOM 668 O PHE A 43 20.167 29.142 5.357 1.00 0.00 O ATOM 669 CB PHE A 43 18.179 29.879 3.297 1.00 0.00 C ATOM 670 CG PHE A 43 17.364 29.860 2.017 1.00 0.00 C ATOM 671 CD1 PHE A 43 17.178 31.049 1.290 1.00 0.00 C ATOM 672 CD2 PHE A 43 16.837 28.648 1.532 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.475 31.029 0.075 1.00 0.00 C ATOM 674 CE2 PHE A 43 16.140 28.626 0.310 1.00 0.00 C ATOM 675 CZ PHE A 43 15.961 29.817 -0.422 1.00 0.00 C ATOM 0 H PHE A 43 20.030 27.710 3.081 1.00 0.00 H new ATOM 0 HA PHE A 43 20.028 30.590 2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 43 17.854 29.056 3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 43 17.966 30.802 3.836 1.00 0.00 H new ATOM 0 HD1 PHE A 43 17.577 31.979 1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 43 16.967 27.737 2.097 1.00 0.00 H new ATOM 0 HE1 PHE A 43 16.329 31.945 -0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.742 27.696 -0.067 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.430 29.799 -1.363 1.00 0.00 H new ATOM 685 N PRO A 44 21.447 30.803 4.535 1.00 0.00 N ATOM 686 CA PRO A 44 22.236 30.967 5.759 1.00 0.00 C ATOM 687 C PRO A 44 21.440 31.641 6.885 1.00 0.00 C ATOM 688 O PRO A 44 20.573 32.484 6.646 1.00 0.00 O ATOM 689 CB PRO A 44 23.456 31.788 5.349 1.00 0.00 C ATOM 690 CG PRO A 44 22.926 32.652 4.206 1.00 0.00 C ATOM 691 CD PRO A 44 21.934 31.722 3.513 1.00 0.00 C ATOM 0 HA PRO A 44 22.524 30.001 6.173 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.828 32.395 6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 44 24.279 31.152 5.025 1.00 0.00 H new ATOM 0 HG2 PRO A 44 22.443 33.557 4.573 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.724 32.967 3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 44 21.111 32.288 3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.415 31.179 2.699 1.00 0.00 H new ATOM 699 N GLY A 45 21.776 31.287 8.126 1.00 0.00 N ATOM 700 CA GLY A 45 21.262 31.913 9.348 1.00 0.00 C ATOM 701 C GLY A 45 19.860 31.456 9.772 1.00 0.00 C ATOM 702 O GLY A 45 19.266 32.071 10.657 1.00 0.00 O ATOM 0 H GLY A 45 22.435 30.532 8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.956 31.708 10.163 1.00 0.00 H new ATOM 0 HA3 GLY A 45 21.248 32.994 9.206 1.00 0.00 H new ATOM 706 N LEU A 46 19.312 30.408 9.150 1.00 0.00 N ATOM 707 CA LEU A 46 17.986 29.857 9.457 1.00 0.00 C ATOM 708 C LEU A 46 18.047 28.526 10.229 1.00 0.00 C ATOM 709 O LEU A 46 19.064 27.834 10.233 1.00 0.00 O ATOM 710 CB LEU A 46 17.158 29.700 8.164 1.00 0.00 C ATOM 711 CG LEU A 46 16.918 30.991 7.359 1.00 0.00 C ATOM 712 CD1 LEU A 46 15.991 30.690 6.188 1.00 0.00 C ATOM 713 CD2 LEU A 46 16.263 32.097 8.188 1.00 0.00 C ATOM 0 H LEU A 46 19.789 29.906 8.401 1.00 0.00 H new ATOM 0 HA LEU A 46 17.495 30.572 10.117 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.661 28.980 7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.190 29.272 8.425 1.00 0.00 H new ATOM 0 HG LEU A 46 17.897 31.339 7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.819 31.602 5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.450 29.939 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.040 30.313 6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.119 32.981 7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.297 31.752 8.557 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.905 32.348 9.032 1.00 0.00 H new ATOM 725 N ALA A 47 16.916 28.161 10.834 1.00 0.00 N ATOM 726 CA ALA A 47 16.601 26.850 11.408 1.00 0.00 C ATOM 727 C ALA A 47 15.111 26.508 11.180 1.00 0.00 C ATOM 728 O ALA A 47 14.299 27.390 10.886 1.00 0.00 O ATOM 729 CB ALA A 47 16.969 26.858 12.896 1.00 0.00 C ATOM 0 H ALA A 47 16.143 28.817 10.944 1.00 0.00 H new ATOM 0 HA ALA A 47 17.184 26.073 10.914 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.738 25.886 13.333 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.034 27.062 13.006 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.397 27.631 13.408 1.00 0.00 H new ATOM 735 N ILE A 48 14.726 25.232 11.300 1.00 0.00 N ATOM 736 CA ILE A 48 13.332 24.781 11.132 1.00 0.00 C ATOM 737 C ILE A 48 12.520 25.088 12.406 1.00 0.00 C ATOM 738 O ILE A 48 12.887 24.634 13.491 1.00 0.00 O ATOM 739 CB ILE A 48 13.282 23.279 10.756 1.00 0.00 C ATOM 740 CG1 ILE A 48 14.105 22.959 9.485 1.00 0.00 C ATOM 741 CG2 ILE A 48 11.820 22.827 10.558 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.458 21.473 9.342 1.00 0.00 C ATOM 0 H ILE A 48 15.374 24.475 11.518 1.00 0.00 H new ATOM 0 HA ILE A 48 12.876 25.330 10.308 1.00 0.00 H new ATOM 0 HB ILE A 48 13.731 22.729 11.583 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.542 23.276 8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 48 15.025 23.543 9.501 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.799 21.770 10.294 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.263 22.982 11.482 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.364 23.410 9.758 1.00 0.00 H new ATOM 0 HD11 ILE A 48 15.035 21.322 8.429 1.00 0.00 H new ATOM 0 HD12 ILE A 48 15.049 21.155 10.201 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.542 20.884 9.294 1.00 0.00 H new ATOM 754 N GLY A 49 11.432 25.859 12.281 1.00 0.00 N ATOM 755 CA GLY A 49 10.594 26.306 13.412 1.00 0.00 C ATOM 756 C GLY A 49 9.195 25.689 13.487 1.00 0.00 C ATOM 757 O GLY A 49 8.653 25.512 14.585 1.00 0.00 O ATOM 0 H GLY A 49 11.100 26.198 11.378 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.120 26.082 14.340 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.491 27.390 13.357 1.00 0.00 H new ATOM 761 N ARG A 50 8.607 25.315 12.342 1.00 0.00 N ATOM 762 CA ARG A 50 7.272 24.689 12.246 1.00 0.00 C ATOM 763 C ARG A 50 7.216 23.654 11.126 1.00 0.00 C ATOM 764 O ARG A 50 7.809 23.862 10.067 1.00 0.00 O ATOM 765 CB ARG A 50 6.194 25.769 12.009 1.00 0.00 C ATOM 766 CG ARG A 50 4.868 25.474 12.734 1.00 0.00 C ATOM 767 CD ARG A 50 4.673 26.341 13.981 1.00 0.00 C ATOM 768 NE ARG A 50 5.821 26.248 14.901 1.00 0.00 N ATOM 769 CZ ARG A 50 5.849 26.550 16.182 1.00 0.00 C ATOM 770 NH1 ARG A 50 4.813 26.913 16.876 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 6.960 26.476 16.831 1.00 0.00 N ATOM 0 H ARG A 50 9.053 25.440 11.433 1.00 0.00 H new ATOM 0 HA ARG A 50 7.078 24.179 13.190 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.576 26.734 12.343 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.004 25.855 10.939 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.038 25.640 12.047 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.840 24.422 13.019 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.531 27.380 13.682 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.766 26.031 14.500 1.00 0.00 H new ATOM 0 HE ARG A 50 6.695 25.910 14.498 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.898 26.979 16.430 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.914 27.132 17.867 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.812 26.185 16.352 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.987 26.709 17.824 1.00 0.00 H new ATOM 785 N VAL A 51 6.463 22.577 11.341 1.00 0.00 N ATOM 786 CA VAL A 51 6.228 21.489 10.377 1.00 0.00 C ATOM 787 C VAL A 51 4.768 21.045 10.477 1.00 0.00 C ATOM 788 O VAL A 51 4.282 20.807 11.581 1.00 0.00 O ATOM 789 CB VAL A 51 7.183 20.307 10.651 1.00 0.00 C ATOM 790 CG1 VAL A 51 6.910 19.118 9.724 1.00 0.00 C ATOM 791 CG2 VAL A 51 8.656 20.688 10.481 1.00 0.00 C ATOM 0 H VAL A 51 5.978 22.427 12.225 1.00 0.00 H new ATOM 0 HA VAL A 51 6.427 21.846 9.366 1.00 0.00 H new ATOM 0 HB VAL A 51 6.991 20.030 11.688 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.606 18.311 9.953 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.888 18.769 9.871 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.042 19.427 8.687 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.282 19.820 10.686 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.829 21.027 9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.907 21.489 11.177 1.00 0.00 H new ATOM 801 N ASP A 52 4.072 20.917 9.352 1.00 0.00 N ATOM 802 CA ASP A 52 2.657 20.535 9.283 1.00 0.00 C ATOM 803 C ASP A 52 2.378 19.730 7.999 1.00 0.00 C ATOM 804 O ASP A 52 2.342 20.278 6.896 1.00 0.00 O ATOM 805 CB ASP A 52 1.813 21.825 9.395 1.00 0.00 C ATOM 806 CG ASP A 52 0.300 21.594 9.463 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.195 20.569 8.949 1.00 0.00 O ATOM 808 OD2 ASP A 52 -0.414 22.457 10.030 1.00 0.00 O1- ATOM 0 H ASP A 52 4.485 21.080 8.434 1.00 0.00 H new ATOM 0 HA ASP A 52 2.383 19.875 10.106 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.124 22.371 10.286 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.032 22.462 8.538 1.00 0.00 H new ATOM 813 N LEU A 53 2.207 18.410 8.135 1.00 0.00 N ATOM 814 CA LEU A 53 1.968 17.462 7.034 1.00 0.00 C ATOM 815 C LEU A 53 0.502 17.461 6.578 1.00 0.00 C ATOM 816 O LEU A 53 0.212 17.146 5.421 1.00 0.00 O ATOM 817 CB LEU A 53 2.341 16.034 7.489 1.00 0.00 C ATOM 818 CG LEU A 53 3.823 15.683 7.689 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.640 15.866 6.413 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.497 16.444 8.829 1.00 0.00 C ATOM 0 H LEU A 53 2.232 17.953 9.047 1.00 0.00 H new ATOM 0 HA LEU A 53 2.588 17.779 6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.827 15.843 8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.933 15.337 6.757 1.00 0.00 H new ATOM 0 HG LEU A 53 3.808 14.628 7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.680 15.605 6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.243 15.219 5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.581 16.905 6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.541 16.138 8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.446 17.515 8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.986 16.223 9.766 1.00 0.00 H new ATOM 832 N ARG A 54 -0.428 17.812 7.476 1.00 0.00 N ATOM 833 CA ARG A 54 -1.866 17.959 7.204 1.00 0.00 C ATOM 834 C ARG A 54 -2.115 19.089 6.193 1.00 0.00 C ATOM 835 O ARG A 54 -2.831 18.887 5.212 1.00 0.00 O ATOM 836 CB ARG A 54 -2.561 18.173 8.561 1.00 0.00 C ATOM 837 CG ARG A 54 -3.977 18.772 8.531 1.00 0.00 C ATOM 838 CD ARG A 54 -4.399 19.237 9.937 1.00 0.00 C ATOM 839 NE ARG A 54 -3.505 20.309 10.427 1.00 0.00 N ATOM 840 CZ ARG A 54 -3.081 20.503 11.659 1.00 0.00 C ATOM 841 NH1 ARG A 54 -3.524 19.840 12.694 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -2.159 21.377 11.918 1.00 0.00 N ATOM 0 H ARG A 54 -0.192 18.009 8.449 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.285 17.069 6.735 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.610 17.212 9.072 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.930 18.824 9.166 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.007 19.614 7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.684 18.030 8.160 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.427 19.598 9.912 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.374 18.393 10.627 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.178 20.977 9.728 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.240 19.124 12.573 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.154 20.038 13.623 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.751 21.927 11.162 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.842 21.515 12.878 1.00 0.00 H new ATOM 856 N SER A 55 -1.487 20.251 6.398 1.00 0.00 N ATOM 857 CA SER A 55 -1.523 21.392 5.468 1.00 0.00 C ATOM 858 C SER A 55 -0.439 21.346 4.377 1.00 0.00 C ATOM 859 O SER A 55 -0.586 22.002 3.345 1.00 0.00 O ATOM 860 CB SER A 55 -1.418 22.704 6.253 1.00 0.00 C ATOM 861 OG SER A 55 -2.498 22.835 7.167 1.00 0.00 O ATOM 0 H SER A 55 -0.927 20.432 7.231 1.00 0.00 H new ATOM 0 HA SER A 55 -2.478 21.331 4.947 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.472 22.734 6.794 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.417 23.547 5.562 1.00 0.00 H new ATOM 0 HG SER A 55 -2.410 23.678 7.658 1.00 0.00 H new ATOM 867 N GLY A 56 0.640 20.581 4.581 1.00 0.00 N ATOM 868 CA GLY A 56 1.766 20.466 3.638 1.00 0.00 C ATOM 869 C GLY A 56 2.718 21.673 3.656 1.00 0.00 C ATOM 870 O GLY A 56 3.102 22.166 2.593 1.00 0.00 O ATOM 0 H GLY A 56 0.760 20.013 5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.333 19.565 3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.372 20.342 2.630 1.00 0.00 H new ATOM 874 N VAL A 57 3.081 22.182 4.840 1.00 0.00 N ATOM 875 CA VAL A 57 3.868 23.420 5.027 1.00 0.00 C ATOM 876 C VAL A 57 4.984 23.229 6.066 1.00 0.00 C ATOM 877 O VAL A 57 4.779 22.608 7.112 1.00 0.00 O ATOM 878 CB VAL A 57 2.965 24.613 5.423 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.745 25.929 5.527 1.00 0.00 C ATOM 880 CG2 VAL A 57 1.840 24.835 4.403 1.00 0.00 C ATOM 0 H VAL A 57 2.831 21.736 5.723 1.00 0.00 H new ATOM 0 HA VAL A 57 4.332 23.647 4.067 1.00 0.00 H new ATOM 0 HB VAL A 57 2.555 24.348 6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.065 26.734 5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.524 25.832 6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.201 26.159 4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.227 25.681 4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.272 25.042 3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.220 23.940 4.344 1.00 0.00 H new ATOM 890 N ILE A 58 6.162 23.801 5.791 1.00 0.00 N ATOM 891 CA ILE A 58 7.327 23.875 6.681 1.00 0.00 C ATOM 892 C ILE A 58 7.779 25.336 6.786 1.00 0.00 C ATOM 893 O ILE A 58 8.023 25.978 5.762 1.00 0.00 O ATOM 894 CB ILE A 58 8.461 22.949 6.173 1.00 0.00 C ATOM 895 CG1 ILE A 58 8.017 21.470 6.195 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.755 23.146 6.991 1.00 0.00 C ATOM 897 CD1 ILE A 58 8.919 20.559 5.364 1.00 0.00 C ATOM 0 H ILE A 58 6.338 24.249 4.892 1.00 0.00 H new ATOM 0 HA ILE A 58 7.059 23.524 7.677 1.00 0.00 H new ATOM 0 HB ILE A 58 8.675 23.224 5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.005 21.116 7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.996 21.398 5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.531 22.482 6.610 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.087 24.180 6.903 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.562 22.915 8.039 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.553 19.534 5.421 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.912 20.889 4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.937 20.603 5.752 1.00 0.00 H new ATOM 909 N SER A 59 7.898 25.867 8.003 1.00 0.00 N ATOM 910 CA SER A 59 8.248 27.278 8.265 1.00 0.00 C ATOM 911 C SER A 59 9.612 27.402 8.935 1.00 0.00 C ATOM 912 O SER A 59 9.879 26.749 9.947 1.00 0.00 O ATOM 913 CB SER A 59 7.185 27.973 9.122 1.00 0.00 C ATOM 914 OG SER A 59 5.889 27.825 8.556 1.00 0.00 O ATOM 0 H SER A 59 7.753 25.325 8.855 1.00 0.00 H new ATOM 0 HA SER A 59 8.291 27.774 7.295 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.195 27.554 10.128 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.425 29.032 9.215 1.00 0.00 H new ATOM 0 HG SER A 59 5.230 28.276 9.124 1.00 0.00 H new ATOM 920 N LEU A 60 10.479 28.256 8.383 1.00 0.00 N ATOM 921 CA LEU A 60 11.823 28.528 8.915 1.00 0.00 C ATOM 922 C LEU A 60 11.860 29.808 9.775 1.00 0.00 C ATOM 923 O LEU A 60 11.080 30.740 9.571 1.00 0.00 O ATOM 924 CB LEU A 60 12.853 28.587 7.773 1.00 0.00 C ATOM 925 CG LEU A 60 12.824 27.397 6.784 1.00 0.00 C ATOM 926 CD1 LEU A 60 13.969 27.546 5.784 1.00 0.00 C ATOM 927 CD2 LEU A 60 12.958 26.040 7.476 1.00 0.00 C ATOM 0 H LEU A 60 10.266 28.788 7.539 1.00 0.00 H new ATOM 0 HA LEU A 60 12.089 27.702 9.575 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.693 29.507 7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.850 28.649 8.210 1.00 0.00 H new ATOM 0 HG LEU A 60 11.853 27.421 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.953 26.710 5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.853 28.480 5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.919 27.554 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.931 25.246 6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.904 25.998 8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.135 25.906 8.178 1.00 0.00 H new ATOM 939 N ILE A 61 12.795 29.855 10.727 1.00 0.00 N ATOM 940 CA ILE A 61 13.045 30.962 11.667 1.00 0.00 C ATOM 941 C ILE A 61 14.533 31.341 11.690 1.00 0.00 C ATOM 942 O ILE A 61 15.387 30.540 11.316 1.00 0.00 O ATOM 943 CB ILE A 61 12.525 30.631 13.091 1.00 0.00 C ATOM 944 CG1 ILE A 61 13.269 29.452 13.766 1.00 0.00 C ATOM 945 CG2 ILE A 61 11.012 30.365 13.053 1.00 0.00 C ATOM 946 CD1 ILE A 61 14.365 29.882 14.749 1.00 0.00 C ATOM 0 H ILE A 61 13.438 29.078 10.875 1.00 0.00 H new ATOM 0 HA ILE A 61 12.485 31.827 11.312 1.00 0.00 H new ATOM 0 HB ILE A 61 12.730 31.507 13.706 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.544 28.834 14.295 1.00 0.00 H new ATOM 0 HG13 ILE A 61 13.715 28.827 12.992 1.00 0.00 H new ATOM 0 HG21 ILE A 61 10.658 30.134 14.058 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.496 31.250 12.681 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.807 29.522 12.393 1.00 0.00 H new ATOM 0 HD11 ILE A 61 14.837 28.998 15.178 1.00 0.00 H new ATOM 0 HD12 ILE A 61 15.114 30.474 14.223 1.00 0.00 H new ATOM 0 HD13 ILE A 61 13.924 30.481 15.546 1.00 0.00 H new ATOM 958 N GLU A 62 14.852 32.558 12.128 1.00 0.00 N ATOM 959 CA GLU A 62 16.234 33.048 12.227 1.00 0.00 C ATOM 960 C GLU A 62 16.938 32.465 13.462 1.00 0.00 C ATOM 961 O GLU A 62 16.470 32.627 14.590 1.00 0.00 O ATOM 962 CB GLU A 62 16.276 34.581 12.276 1.00 0.00 C ATOM 963 CG GLU A 62 15.774 35.242 10.980 1.00 0.00 C ATOM 964 CD GLU A 62 15.889 36.779 11.032 1.00 0.00 C ATOM 965 OE1 GLU A 62 14.880 37.472 10.745 1.00 0.00 O ATOM 966 OE2 GLU A 62 16.982 37.312 11.336 1.00 0.00 O1- ATOM 0 H GLU A 62 14.156 33.240 12.428 1.00 0.00 H new ATOM 0 HA GLU A 62 16.763 32.715 11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.669 34.928 13.112 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.299 34.904 12.469 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.349 34.864 10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.734 34.962 10.810 1.00 0.00 H new ATOM 973 N GLU A 63 18.080 31.808 13.257 1.00 0.00 N ATOM 974 CA GLU A 63 18.950 31.260 14.310 1.00 0.00 C ATOM 975 C GLU A 63 20.019 32.289 14.749 1.00 0.00 C ATOM 976 O GLU A 63 20.509 33.075 13.931 1.00 0.00 O ATOM 977 CB GLU A 63 19.545 29.935 13.793 1.00 0.00 C ATOM 978 CG GLU A 63 20.069 28.991 14.888 1.00 0.00 C ATOM 979 CD GLU A 63 21.596 29.002 15.044 1.00 0.00 C ATOM 980 OE1 GLU A 63 22.215 27.914 15.105 1.00 0.00 O ATOM 981 OE2 GLU A 63 22.206 30.089 15.155 1.00 0.00 O1- ATOM 0 H GLU A 63 18.442 31.634 12.320 1.00 0.00 H new ATOM 0 HA GLU A 63 18.378 31.050 15.214 1.00 0.00 H new ATOM 0 HB2 GLU A 63 18.782 29.411 13.216 1.00 0.00 H new ATOM 0 HB3 GLU A 63 20.362 30.163 13.108 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.615 29.268 15.840 1.00 0.00 H new ATOM 0 HG3 GLU A 63 19.744 27.975 14.663 1.00 0.00 H new ATOM 988 N GLN A 64 20.384 32.312 16.039 1.00 0.00 N ATOM 989 CA GLN A 64 21.345 33.276 16.622 1.00 0.00 C ATOM 990 C GLN A 64 22.166 32.697 17.796 1.00 0.00 C ATOM 991 O GLN A 64 22.424 33.367 18.801 1.00 0.00 O ATOM 992 CB GLN A 64 20.657 34.625 16.939 1.00 0.00 C ATOM 993 CG GLN A 64 19.538 34.596 18.001 1.00 0.00 C ATOM 994 CD GLN A 64 18.265 33.914 17.506 1.00 0.00 C ATOM 995 OE1 GLN A 64 17.829 32.899 18.031 1.00 0.00 O ATOM 996 NE2 GLN A 64 17.656 34.409 16.448 1.00 0.00 N ATOM 0 H GLN A 64 20.016 31.652 16.724 1.00 0.00 H new ATOM 0 HA GLN A 64 22.096 33.481 15.859 1.00 0.00 H new ATOM 0 HB2 GLN A 64 21.422 35.328 17.269 1.00 0.00 H new ATOM 0 HB3 GLN A 64 20.238 35.020 16.013 1.00 0.00 H new ATOM 0 HG2 GLN A 64 19.900 34.077 18.889 1.00 0.00 H new ATOM 0 HG3 GLN A 64 19.303 35.617 18.302 1.00 0.00 H new ATOM 0 HE21 GLN A 64 18.013 35.255 16.004 1.00 0.00 H new ATOM 0 HE22 GLN A 64 16.828 33.946 16.073 1.00 0.00 H new ATOM 1005 N ASN A 65 22.598 31.440 17.685 1.00 0.00 N ATOM 1006 CA ASN A 65 23.312 30.697 18.723 1.00 0.00 C ATOM 1007 C ASN A 65 24.789 31.131 18.931 1.00 0.00 C ATOM 1008 O ASN A 65 25.481 30.559 19.784 1.00 0.00 O ATOM 1009 CB ASN A 65 23.199 29.199 18.356 1.00 0.00 C ATOM 1010 CG ASN A 65 21.806 28.610 18.476 1.00 0.00 C ATOM 1011 OD1 ASN A 65 20.805 29.292 18.653 1.00 0.00 O ATOM 1012 ND2 ASN A 65 21.700 27.303 18.420 1.00 0.00 N ATOM 0 H ASN A 65 22.454 30.891 16.837 1.00 0.00 H new ATOM 0 HA ASN A 65 22.850 30.912 19.687 1.00 0.00 H new ATOM 0 HB2 ASN A 65 23.546 29.065 17.332 1.00 0.00 H new ATOM 0 HB3 ASN A 65 23.873 28.632 18.998 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.787 26.860 18.524 1.00 0.00 H new ATOM 0 HD22 ASN A 65 22.531 26.730 18.273 1.00 0.00 H new ATOM 1019 N ARG A 66 25.286 32.113 18.161 1.00 0.00 N ATOM 1020 CA ARG A 66 26.693 32.568 18.096 1.00 0.00 C ATOM 1021 C ARG A 66 26.783 34.104 18.083 1.00 0.00 C ATOM 1022 O ARG A 66 27.592 34.656 18.867 1.00 0.00 O ATOM 1023 CB ARG A 66 27.379 31.981 16.847 1.00 0.00 C ATOM 1024 CG ARG A 66 27.487 30.442 16.874 1.00 0.00 C ATOM 1025 CD ARG A 66 27.805 29.861 15.481 1.00 0.00 C ATOM 1026 NE ARG A 66 26.927 28.726 15.147 1.00 0.00 N ATOM 1027 CZ ARG A 66 25.618 28.772 14.959 1.00 0.00 C ATOM 1028 NH1 ARG A 66 24.957 29.892 14.940 1.00 0.00 N1+ ATOM 1029 NH2 ARG A 66 24.933 27.682 14.816 1.00 0.00 N ATOM 1030 OXT ARG A 66 26.049 34.744 17.294 1.00 0.00 O1- ATOM 0 H ARG A 66 24.686 32.644 17.530 1.00 0.00 H new ATOM 0 HA ARG A 66 27.208 32.211 18.988 1.00 0.00 H new ATOM 0 HB2 ARG A 66 26.822 32.283 15.960 1.00 0.00 H new ATOM 0 HB3 ARG A 66 28.378 32.407 16.757 1.00 0.00 H new ATOM 0 HG2 ARG A 66 28.265 30.145 17.577 1.00 0.00 H new ATOM 0 HG3 ARG A 66 26.551 30.019 17.238 1.00 0.00 H new ATOM 0 HD2 ARG A 66 27.693 30.641 14.728 1.00 0.00 H new ATOM 0 HD3 ARG A 66 28.845 29.537 15.451 1.00 0.00 H new ATOM 0 HE ARG A 66 27.373 27.814 15.051 1.00 0.00 H new ATOM 0 HH11 ARG A 66 25.448 30.776 15.073 1.00 0.00 H new ATOM 0 HH12 ARG A 66 23.948 29.886 14.792 1.00 0.00 H new ATOM 0 HH21 ARG A 66 25.402 26.777 14.848 1.00 0.00 H new ATOM 0 HH22 ARG A 66 23.924 27.729 14.672 1.00 0.00 H new TER 1044 ARG A 66 ATOM 1045 N GLY B -3 -9.618 11.206 3.080 1.00 0.00 N ATOM 1046 CA GLY B -3 -8.992 12.545 3.160 1.00 0.00 C ATOM 1047 C GLY B -3 -8.563 13.058 1.790 1.00 0.00 C ATOM 1048 O GLY B -3 -8.478 12.275 0.833 1.00 0.00 O ATOM 0 H1 GLY B -3 -10.625 11.278 3.332 1.00 0.00 H new ATOM 0 H2 GLY B -3 -9.529 10.838 2.111 1.00 0.00 H new ATOM 0 H3 GLY B -3 -9.141 10.560 3.741 1.00 0.00 H new ATOM 0 HA2 GLY B -3 -9.695 13.248 3.606 1.00 0.00 H new ATOM 0 HA3 GLY B -3 -8.124 12.501 3.818 1.00 0.00 H new ATOM 1054 N PRO B -2 -8.292 14.372 1.659 1.00 0.00 N ATOM 1055 CA PRO B -2 -7.824 14.991 0.413 1.00 0.00 C ATOM 1056 C PRO B -2 -6.412 14.528 0.016 1.00 0.00 C ATOM 1057 O PRO B -2 -5.628 14.080 0.860 1.00 0.00 O ATOM 1058 CB PRO B -2 -7.874 16.502 0.674 1.00 0.00 C ATOM 1059 CG PRO B -2 -7.627 16.598 2.181 1.00 0.00 C ATOM 1060 CD PRO B -2 -8.356 15.368 2.722 1.00 0.00 C ATOM 0 HA PRO B -2 -8.452 14.701 -0.430 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -7.112 17.035 0.105 1.00 0.00 H new ATOM 0 HB3 PRO B -2 -8.837 16.928 0.395 1.00 0.00 H new ATOM 0 HG2 PRO B -2 -6.564 16.575 2.419 1.00 0.00 H new ATOM 0 HG3 PRO B -2 -8.027 17.522 2.599 1.00 0.00 H new ATOM 0 HD2 PRO B -2 -7.882 15.000 3.632 1.00 0.00 H new ATOM 0 HD3 PRO B -2 -9.389 15.605 2.975 1.00 0.00 H new ATOM 1068 N GLY B -1 -6.055 14.681 -1.262 1.00 0.00 N ATOM 1069 CA GLY B -1 -4.725 14.338 -1.790 1.00 0.00 C ATOM 1070 C GLY B -1 -3.586 15.253 -1.299 1.00 0.00 C ATOM 1071 O GLY B -1 -2.411 14.916 -1.467 1.00 0.00 O ATOM 0 H GLY B -1 -6.688 15.051 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY B -1 -4.493 13.310 -1.513 1.00 0.00 H new ATOM 0 HA3 GLY B -1 -4.760 14.375 -2.879 1.00 0.00 H new ATOM 1075 N SER B 0 -3.920 16.400 -0.687 1.00 0.00 N ATOM 1076 CA SER B 0 -2.965 17.394 -0.169 1.00 0.00 C ATOM 1077 C SER B 0 -2.336 17.025 1.187 1.00 0.00 C ATOM 1078 O SER B 0 -1.191 17.412 1.445 1.00 0.00 O ATOM 1079 CB SER B 0 -3.671 18.753 -0.058 1.00 0.00 C ATOM 1080 OG SER B 0 -4.805 18.671 0.795 1.00 0.00 O ATOM 0 H SER B 0 -4.892 16.670 -0.534 1.00 0.00 H new ATOM 0 HA SER B 0 -2.139 17.429 -0.879 1.00 0.00 H new ATOM 0 HB2 SER B 0 -2.975 19.498 0.328 1.00 0.00 H new ATOM 0 HB3 SER B 0 -3.980 19.088 -1.048 1.00 0.00 H new ATOM 0 HG SER B 0 -5.236 19.549 0.851 1.00 0.00 H new ATOM 1086 N MET B 1 -3.046 16.285 2.050 1.00 0.00 N ATOM 1087 CA MET B 1 -2.550 15.898 3.382 1.00 0.00 C ATOM 1088 C MET B 1 -1.631 14.663 3.362 1.00 0.00 C ATOM 1089 O MET B 1 -1.716 13.801 2.482 1.00 0.00 O ATOM 1090 CB MET B 1 -3.703 15.718 4.387 1.00 0.00 C ATOM 1091 CG MET B 1 -4.577 14.474 4.172 1.00 0.00 C ATOM 1092 SD MET B 1 -5.782 14.161 5.490 1.00 0.00 S ATOM 1093 CE MET B 1 -4.688 13.630 6.841 1.00 0.00 C ATOM 0 H MET B 1 -3.982 15.936 1.845 1.00 0.00 H new ATOM 0 HA MET B 1 -1.931 16.730 3.717 1.00 0.00 H new ATOM 0 HB2 MET B 1 -3.283 15.677 5.392 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.341 16.601 4.344 1.00 0.00 H new ATOM 0 HG2 MET B 1 -5.111 14.580 3.227 1.00 0.00 H new ATOM 0 HG3 MET B 1 -3.929 13.603 4.076 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.285 13.201 7.646 1.00 0.00 H new ATOM 0 HE2 MET B 1 -3.988 12.881 6.470 1.00 0.00 H new ATOM 0 HE3 MET B 1 -4.133 14.489 7.219 1.00 0.00 H new ATOM 1103 N CYS B 2 -0.782 14.558 4.386 1.00 0.00 N ATOM 1104 CA CYS B 2 0.084 13.411 4.676 1.00 0.00 C ATOM 1105 C CYS B 2 0.304 13.264 6.199 1.00 0.00 C ATOM 1106 O CYS B 2 -0.287 14.006 6.991 1.00 0.00 O ATOM 1107 CB CYS B 2 1.406 13.599 3.909 1.00 0.00 C ATOM 1108 SG CYS B 2 2.038 12.074 3.147 1.00 0.00 S ATOM 0 H CYS B 2 -0.674 15.307 5.070 1.00 0.00 H new ATOM 0 HA CYS B 2 -0.385 12.485 4.345 1.00 0.00 H new ATOM 0 HB2 CYS B 2 1.260 14.349 3.131 1.00 0.00 H new ATOM 0 HB3 CYS B 2 2.159 13.991 4.593 1.00 0.00 H new ATOM 1113 N MET B 3 1.170 12.338 6.623 1.00 0.00 N ATOM 1114 CA MET B 3 1.604 12.181 8.019 1.00 0.00 C ATOM 1115 C MET B 3 3.081 11.760 8.116 1.00 0.00 C ATOM 1116 O MET B 3 3.694 11.349 7.129 1.00 0.00 O ATOM 1117 CB MET B 3 0.651 11.226 8.772 1.00 0.00 C ATOM 1118 CG MET B 3 0.729 9.751 8.354 1.00 0.00 C ATOM 1119 SD MET B 3 2.101 8.798 9.067 1.00 0.00 S ATOM 1120 CE MET B 3 1.711 7.155 8.407 1.00 0.00 C ATOM 0 H MET B 3 1.600 11.661 5.993 1.00 0.00 H new ATOM 0 HA MET B 3 1.545 13.151 8.512 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.863 11.295 9.839 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.372 11.573 8.628 1.00 0.00 H new ATOM 0 HG2 MET B 3 -0.207 9.265 8.629 1.00 0.00 H new ATOM 0 HG3 MET B 3 0.805 9.704 7.268 1.00 0.00 H new ATOM 0 HE1 MET B 3 2.458 6.439 8.748 1.00 0.00 H new ATOM 0 HE2 MET B 3 0.726 6.846 8.758 1.00 0.00 H new ATOM 0 HE3 MET B 3 1.714 7.191 7.318 1.00 0.00 H new ATOM 1130 N ALA B 4 3.658 11.891 9.309 1.00 0.00 N ATOM 1131 CA ALA B 4 5.072 11.680 9.609 1.00 0.00 C ATOM 1132 C ALA B 4 5.302 10.831 10.876 1.00 0.00 C ATOM 1133 O ALA B 4 4.368 10.485 11.604 1.00 0.00 O ATOM 1134 CB ALA B 4 5.725 13.063 9.718 1.00 0.00 C ATOM 0 H ALA B 4 3.124 12.161 10.135 1.00 0.00 H new ATOM 0 HA ALA B 4 5.531 11.101 8.807 1.00 0.00 H new ATOM 0 HB1 ALA B 4 6.785 12.948 9.942 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.609 13.595 8.774 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.245 13.630 10.516 1.00 0.00 H new ATOM 1140 N LYS B 5 6.574 10.534 11.160 1.00 0.00 N ATOM 1141 CA LYS B 5 7.073 10.015 12.443 1.00 0.00 C ATOM 1142 C LYS B 5 8.245 10.854 12.957 1.00 0.00 C ATOM 1143 O LYS B 5 9.055 11.338 12.169 1.00 0.00 O ATOM 1144 CB LYS B 5 7.414 8.514 12.356 1.00 0.00 C ATOM 1145 CG LYS B 5 8.528 8.179 11.349 1.00 0.00 C ATOM 1146 CD LYS B 5 8.975 6.713 11.441 1.00 0.00 C ATOM 1147 CE LYS B 5 9.778 6.451 12.723 1.00 0.00 C ATOM 1148 NZ LYS B 5 10.216 5.041 12.833 1.00 0.00 N1+ ATOM 0 H LYS B 5 7.319 10.653 10.473 1.00 0.00 H new ATOM 0 HA LYS B 5 6.271 10.105 13.176 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.714 8.163 13.343 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.514 7.963 12.082 1.00 0.00 H new ATOM 0 HG2 LYS B 5 8.176 8.386 10.339 1.00 0.00 H new ATOM 0 HG3 LYS B 5 9.384 8.830 11.528 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.101 6.062 11.418 1.00 0.00 H new ATOM 0 HD3 LYS B 5 9.582 6.461 10.572 1.00 0.00 H new ATOM 0 HE2 LYS B 5 10.651 7.103 12.742 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.169 6.709 13.590 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.540 4.853 13.803 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.420 4.411 12.606 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 10.996 4.867 12.167 1.00 0.00 H new ATOM 1162 N VAL B 6 8.335 11.022 14.273 1.00 0.00 N ATOM 1163 CA VAL B 6 9.383 11.791 14.965 1.00 0.00 C ATOM 1164 C VAL B 6 10.331 10.848 15.713 1.00 0.00 C ATOM 1165 O VAL B 6 9.876 9.866 16.299 1.00 0.00 O ATOM 1166 CB VAL B 6 8.756 12.842 15.906 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.799 13.609 16.729 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.969 13.898 15.118 1.00 0.00 C ATOM 0 H VAL B 6 7.658 10.614 14.918 1.00 0.00 H new ATOM 0 HA VAL B 6 9.972 12.331 14.224 1.00 0.00 H new ATOM 0 HB VAL B 6 8.108 12.269 16.569 1.00 0.00 H new ATOM 0 HG11 VAL B 6 9.296 14.333 17.370 1.00 0.00 H new ATOM 0 HG12 VAL B 6 10.363 12.909 17.345 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.480 14.131 16.057 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.540 14.623 15.810 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.638 14.409 14.425 1.00 0.00 H new ATOM 0 HG23 VAL B 6 7.169 13.413 14.559 1.00 0.00 H new ATOM 1178 N VAL B 7 11.628 11.167 15.741 1.00 0.00 N ATOM 1179 CA VAL B 7 12.645 10.502 16.576 1.00 0.00 C ATOM 1180 C VAL B 7 13.444 11.515 17.415 1.00 0.00 C ATOM 1181 O VAL B 7 13.813 12.589 16.933 1.00 0.00 O ATOM 1182 CB VAL B 7 13.536 9.557 15.737 1.00 0.00 C ATOM 1183 CG1 VAL B 7 14.366 10.270 14.662 1.00 0.00 C ATOM 1184 CG2 VAL B 7 14.508 8.764 16.620 1.00 0.00 C ATOM 0 H VAL B 7 12.016 11.917 15.168 1.00 0.00 H new ATOM 0 HA VAL B 7 12.128 9.867 17.295 1.00 0.00 H new ATOM 0 HB VAL B 7 12.826 8.894 15.242 1.00 0.00 H new ATOM 0 HG11 VAL B 7 14.963 9.538 14.118 1.00 0.00 H new ATOM 0 HG12 VAL B 7 13.700 10.782 13.968 1.00 0.00 H new ATOM 0 HG13 VAL B 7 15.026 10.997 15.135 1.00 0.00 H new ATOM 0 HG21 VAL B 7 15.117 8.111 15.995 1.00 0.00 H new ATOM 0 HG22 VAL B 7 15.154 9.455 17.161 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.944 8.162 17.332 1.00 0.00 H new ATOM 1194 N LEU B 8 13.689 11.171 18.686 1.00 0.00 N ATOM 1195 CA LEU B 8 14.372 11.992 19.696 1.00 0.00 C ATOM 1196 C LEU B 8 15.025 11.124 20.792 1.00 0.00 C ATOM 1197 O LEU B 8 14.774 9.922 20.873 1.00 0.00 O ATOM 1198 CB LEU B 8 13.372 13.019 20.261 1.00 0.00 C ATOM 1199 CG LEU B 8 12.219 12.431 21.104 1.00 0.00 C ATOM 1200 CD1 LEU B 8 12.496 12.531 22.608 1.00 0.00 C ATOM 1201 CD2 LEU B 8 10.912 13.174 20.843 1.00 0.00 C ATOM 0 H LEU B 8 13.401 10.266 19.057 1.00 0.00 H new ATOM 0 HA LEU B 8 15.195 12.534 19.231 1.00 0.00 H new ATOM 0 HB2 LEU B 8 13.920 13.734 20.875 1.00 0.00 H new ATOM 0 HB3 LEU B 8 12.942 13.577 19.429 1.00 0.00 H new ATOM 0 HG LEU B 8 12.140 11.385 20.807 1.00 0.00 H new ATOM 0 HD11 LEU B 8 11.659 12.105 23.161 1.00 0.00 H new ATOM 0 HD12 LEU B 8 13.406 11.981 22.848 1.00 0.00 H new ATOM 0 HD13 LEU B 8 12.620 13.578 22.886 1.00 0.00 H new ATOM 0 HD21 LEU B 8 10.118 12.738 21.450 1.00 0.00 H new ATOM 0 HD22 LEU B 8 11.033 14.225 21.104 1.00 0.00 H new ATOM 0 HD23 LEU B 8 10.650 13.090 19.788 1.00 0.00 H new ATOM 1213 N THR B 9 15.852 11.733 21.652 1.00 0.00 N ATOM 1214 CA THR B 9 16.508 11.045 22.785 1.00 0.00 C ATOM 1215 C THR B 9 16.412 11.874 24.072 1.00 0.00 C ATOM 1216 O THR B 9 16.654 13.088 24.063 1.00 0.00 O ATOM 1217 CB THR B 9 17.979 10.714 22.468 1.00 0.00 C ATOM 1218 OG1 THR B 9 18.098 10.126 21.188 1.00 0.00 O ATOM 1219 CG2 THR B 9 18.578 9.692 23.439 1.00 0.00 C ATOM 0 H THR B 9 16.090 12.723 21.586 1.00 0.00 H new ATOM 0 HA THR B 9 15.976 10.107 22.943 1.00 0.00 H new ATOM 0 HB THR B 9 18.505 11.666 22.540 1.00 0.00 H new ATOM 0 HG1 THR B 9 18.675 10.683 20.624 1.00 0.00 H new ATOM 0 HG21 THR B 9 19.616 9.497 23.168 1.00 0.00 H new ATOM 0 HG22 THR B 9 18.536 10.087 24.454 1.00 0.00 H new ATOM 0 HG23 THR B 9 18.009 8.764 23.387 1.00 0.00 H new ATOM 1227 N LYS B 10 16.063 11.227 25.194 1.00 0.00 N ATOM 1228 CA LYS B 10 15.971 11.837 26.536 1.00 0.00 C ATOM 1229 C LYS B 10 17.343 12.244 27.095 1.00 0.00 C ATOM 1230 O LYS B 10 18.372 11.692 26.699 1.00 0.00 O ATOM 1231 CB LYS B 10 15.295 10.866 27.525 1.00 0.00 C ATOM 1232 CG LYS B 10 13.866 10.454 27.136 1.00 0.00 C ATOM 1233 CD LYS B 10 13.293 9.501 28.200 1.00 0.00 C ATOM 1234 CE LYS B 10 11.938 8.959 27.739 1.00 0.00 C ATOM 1235 NZ LYS B 10 11.296 8.114 28.782 1.00 0.00 N1+ ATOM 0 H LYS B 10 15.829 10.234 25.196 1.00 0.00 H new ATOM 0 HA LYS B 10 15.371 12.740 26.424 1.00 0.00 H new ATOM 0 HB2 LYS B 10 15.908 9.969 27.610 1.00 0.00 H new ATOM 0 HB3 LYS B 10 15.270 11.330 28.511 1.00 0.00 H new ATOM 0 HG2 LYS B 10 13.234 11.338 27.047 1.00 0.00 H new ATOM 0 HG3 LYS B 10 13.870 9.966 26.161 1.00 0.00 H new ATOM 0 HD2 LYS B 10 13.985 8.676 28.372 1.00 0.00 H new ATOM 0 HD3 LYS B 10 13.181 10.026 29.148 1.00 0.00 H new ATOM 0 HE2 LYS B 10 11.280 9.791 27.490 1.00 0.00 H new ATOM 0 HE3 LYS B 10 12.071 8.374 26.829 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 10.381 7.766 28.432 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 11.913 7.306 29.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 11.145 8.679 29.642 1.00 0.00 H new ATOM 1249 N ALA B 11 17.350 13.114 28.108 1.00 0.00 N ATOM 1250 CA ALA B 11 18.543 13.445 28.895 1.00 0.00 C ATOM 1251 C ALA B 11 19.114 12.229 29.664 1.00 0.00 C ATOM 1252 O ALA B 11 20.321 12.139 29.901 1.00 0.00 O ATOM 1253 CB ALA B 11 18.167 14.578 29.858 1.00 0.00 C ATOM 0 H ALA B 11 16.515 13.616 28.410 1.00 0.00 H new ATOM 0 HA ALA B 11 19.337 13.759 28.218 1.00 0.00 H new ATOM 0 HB1 ALA B 11 19.035 14.848 30.459 1.00 0.00 H new ATOM 0 HB2 ALA B 11 17.837 15.446 29.287 1.00 0.00 H new ATOM 0 HB3 ALA B 11 17.361 14.246 30.513 1.00 0.00 H new ATOM 1259 N ASP B 12 18.254 11.258 29.996 1.00 0.00 N ATOM 1260 CA ASP B 12 18.608 9.957 30.579 1.00 0.00 C ATOM 1261 C ASP B 12 19.221 8.957 29.565 1.00 0.00 C ATOM 1262 O ASP B 12 19.624 7.851 29.945 1.00 0.00 O ATOM 1263 CB ASP B 12 17.349 9.368 31.231 1.00 0.00 C ATOM 1264 CG ASP B 12 16.790 10.184 32.413 1.00 0.00 C ATOM 1265 OD1 ASP B 12 17.526 10.990 33.035 1.00 0.00 O ATOM 1266 OD2 ASP B 12 15.589 9.999 32.742 1.00 0.00 O1- ATOM 0 H ASP B 12 17.248 11.362 29.860 1.00 0.00 H new ATOM 0 HA ASP B 12 19.392 10.125 31.317 1.00 0.00 H new ATOM 0 HB2 ASP B 12 16.573 9.277 30.471 1.00 0.00 H new ATOM 0 HB3 ASP B 12 17.575 8.360 31.579 1.00 0.00 H new ATOM 1271 N GLY B 13 19.285 9.320 28.275 1.00 0.00 N ATOM 1272 CA GLY B 13 19.806 8.487 27.181 1.00 0.00 C ATOM 1273 C GLY B 13 18.774 7.546 26.549 1.00 0.00 C ATOM 1274 O GLY B 13 19.132 6.721 25.702 1.00 0.00 O ATOM 0 H GLY B 13 18.964 10.233 27.954 1.00 0.00 H new ATOM 0 HA2 GLY B 13 20.207 9.139 26.405 1.00 0.00 H new ATOM 0 HA3 GLY B 13 20.637 7.892 27.559 1.00 0.00 H new ATOM 1278 N GLY B 14 17.491 7.648 26.931 1.00 0.00 N ATOM 1279 CA GLY B 14 16.406 6.825 26.394 1.00 0.00 C ATOM 1280 C GLY B 14 15.967 7.276 24.993 1.00 0.00 C ATOM 1281 O GLY B 14 15.537 8.418 24.820 1.00 0.00 O ATOM 0 H GLY B 14 17.178 8.317 27.634 1.00 0.00 H new ATOM 0 HA2 GLY B 14 16.729 5.785 26.353 1.00 0.00 H new ATOM 0 HA3 GLY B 14 15.552 6.868 27.070 1.00 0.00 H new ATOM 1285 N ARG B 15 16.049 6.387 23.993 1.00 0.00 N ATOM 1286 CA ARG B 15 15.541 6.619 22.629 1.00 0.00 C ATOM 1287 C ARG B 15 14.010 6.607 22.609 1.00 0.00 C ATOM 1288 O ARG B 15 13.394 5.727 23.214 1.00 0.00 O ATOM 1289 CB ARG B 15 16.145 5.558 21.695 1.00 0.00 C ATOM 1290 CG ARG B 15 15.733 5.639 20.210 1.00 0.00 C ATOM 1291 CD ARG B 15 15.956 6.994 19.508 1.00 0.00 C ATOM 1292 NE ARG B 15 17.244 7.633 19.831 1.00 0.00 N ATOM 1293 CZ ARG B 15 18.456 7.281 19.436 1.00 0.00 C ATOM 1294 NH1 ARG B 15 18.689 6.263 18.655 1.00 0.00 N1+ ATOM 1295 NH2 ARG B 15 19.477 7.977 19.838 1.00 0.00 N ATOM 0 H ARG B 15 16.478 5.469 24.109 1.00 0.00 H new ATOM 0 HA ARG B 15 15.843 7.605 22.278 1.00 0.00 H new ATOM 0 HB2 ARG B 15 17.231 5.630 21.753 1.00 0.00 H new ATOM 0 HB3 ARG B 15 15.870 4.573 22.073 1.00 0.00 H new ATOM 0 HG2 ARG B 15 16.284 4.875 19.661 1.00 0.00 H new ATOM 0 HG3 ARG B 15 14.676 5.386 20.135 1.00 0.00 H new ATOM 0 HD2 ARG B 15 15.896 6.847 18.430 1.00 0.00 H new ATOM 0 HD3 ARG B 15 15.147 7.671 19.783 1.00 0.00 H new ATOM 0 HE ARG B 15 17.194 8.452 20.437 1.00 0.00 H new ATOM 0 HH11 ARG B 15 17.914 5.692 18.317 1.00 0.00 H new ATOM 0 HH12 ARG B 15 19.646 6.038 18.382 1.00 0.00 H new ATOM 0 HH21 ARG B 15 19.337 8.782 20.449 1.00 0.00 H new ATOM 0 HH22 ARG B 15 20.418 7.719 19.542 1.00 0.00 H new ATOM 1309 N VAL B 16 13.402 7.560 21.905 1.00 0.00 N ATOM 1310 CA VAL B 16 11.949 7.749 21.789 1.00 0.00 C ATOM 1311 C VAL B 16 11.552 7.959 20.322 1.00 0.00 C ATOM 1312 O VAL B 16 12.221 8.682 19.582 1.00 0.00 O ATOM 1313 CB VAL B 16 11.494 8.930 22.678 1.00 0.00 C ATOM 1314 CG1 VAL B 16 10.030 9.340 22.454 1.00 0.00 C ATOM 1315 CG2 VAL B 16 11.661 8.610 24.168 1.00 0.00 C ATOM 0 H VAL B 16 13.928 8.255 21.375 1.00 0.00 H new ATOM 0 HA VAL B 16 11.442 6.851 22.141 1.00 0.00 H new ATOM 0 HB VAL B 16 12.139 9.758 22.383 1.00 0.00 H new ATOM 0 HG11 VAL B 16 9.781 10.173 23.111 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.892 9.642 21.416 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.378 8.496 22.676 1.00 0.00 H new ATOM 0 HG21 VAL B 16 11.331 9.462 24.762 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.061 7.737 24.422 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.710 8.403 24.380 1.00 0.00 H new ATOM 1325 N GLU B 17 10.450 7.334 19.908 1.00 0.00 N ATOM 1326 CA GLU B 17 9.842 7.484 18.579 1.00 0.00 C ATOM 1327 C GLU B 17 8.318 7.656 18.685 1.00 0.00 C ATOM 1328 O GLU B 17 7.674 7.035 19.538 1.00 0.00 O ATOM 1329 CB GLU B 17 10.190 6.285 17.676 1.00 0.00 C ATOM 1330 CG GLU B 17 11.686 6.184 17.343 1.00 0.00 C ATOM 1331 CD GLU B 17 11.994 4.989 16.424 1.00 0.00 C ATOM 1332 OE1 GLU B 17 12.921 4.198 16.734 1.00 0.00 O ATOM 1333 OE2 GLU B 17 11.329 4.836 15.371 1.00 0.00 O1- ATOM 0 H GLU B 17 9.936 6.687 20.506 1.00 0.00 H new ATOM 0 HA GLU B 17 10.254 8.385 18.125 1.00 0.00 H new ATOM 0 HB2 GLU B 17 9.872 5.366 18.168 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.624 6.362 16.748 1.00 0.00 H new ATOM 0 HG2 GLU B 17 12.013 7.105 16.861 1.00 0.00 H new ATOM 0 HG3 GLU B 17 12.257 6.087 18.266 1.00 0.00 H new ATOM 1340 N ILE B 18 7.732 8.489 17.816 1.00 0.00 N ATOM 1341 CA ILE B 18 6.299 8.828 17.799 1.00 0.00 C ATOM 1342 C ILE B 18 5.777 8.713 16.364 1.00 0.00 C ATOM 1343 O ILE B 18 6.285 9.396 15.475 1.00 0.00 O ATOM 1344 CB ILE B 18 6.057 10.253 18.373 1.00 0.00 C ATOM 1345 CG1 ILE B 18 6.652 10.434 19.787 1.00 0.00 C ATOM 1346 CG2 ILE B 18 4.549 10.580 18.389 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.683 11.894 20.247 1.00 0.00 C ATOM 0 H ILE B 18 8.257 8.962 17.081 1.00 0.00 H new ATOM 0 HA ILE B 18 5.754 8.130 18.435 1.00 0.00 H new ATOM 0 HB ILE B 18 6.574 10.949 17.713 1.00 0.00 H new ATOM 0 HG12 ILE B 18 6.068 9.849 20.497 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.666 10.034 19.801 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.398 11.581 18.794 1.00 0.00 H new ATOM 0 HG22 ILE B 18 4.156 10.536 17.373 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.026 9.854 19.012 1.00 0.00 H new ATOM 0 HD11 ILE B 18 7.112 11.951 21.247 1.00 0.00 H new ATOM 0 HD12 ILE B 18 7.291 12.480 19.557 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.668 12.292 20.264 1.00 0.00 H new ATOM 1359 N GLY B 19 4.782 7.857 16.125 1.00 0.00 N ATOM 1360 CA GLY B 19 4.142 7.657 14.819 1.00 0.00 C ATOM 1361 C GLY B 19 2.871 8.497 14.599 1.00 0.00 C ATOM 1362 O GLY B 19 2.342 9.113 15.530 1.00 0.00 O ATOM 0 H GLY B 19 4.386 7.265 16.855 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.861 7.896 14.035 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.889 6.602 14.709 1.00 0.00 H new ATOM 1366 N ASP B 20 2.364 8.495 13.361 1.00 0.00 N ATOM 1367 CA ASP B 20 1.106 9.142 12.932 1.00 0.00 C ATOM 1368 C ASP B 20 1.028 10.654 13.246 1.00 0.00 C ATOM 1369 O ASP B 20 -0.037 11.188 13.568 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.118 8.346 13.431 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.058 6.838 13.133 1.00 0.00 C ATOM 1372 OD1 ASP B 20 0.410 6.435 12.038 1.00 0.00 O ATOM 1373 OD2 ASP B 20 -0.512 6.035 13.985 1.00 0.00 O1- ATOM 0 H ASP B 20 2.837 8.022 12.591 1.00 0.00 H new ATOM 0 HA ASP B 20 1.096 9.110 11.843 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.215 8.488 14.507 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.017 8.759 12.973 1.00 0.00 H new ATOM 1378 N VAL B 21 2.164 11.351 13.185 1.00 0.00 N ATOM 1379 CA VAL B 21 2.316 12.782 13.485 1.00 0.00 C ATOM 1380 C VAL B 21 1.771 13.640 12.339 1.00 0.00 C ATOM 1381 O VAL B 21 2.132 13.424 11.181 1.00 0.00 O ATOM 1382 CB VAL B 21 3.790 13.117 13.804 1.00 0.00 C ATOM 1383 CG1 VAL B 21 4.024 14.613 14.030 1.00 0.00 C ATOM 1384 CG2 VAL B 21 4.234 12.366 15.073 1.00 0.00 C ATOM 0 H VAL B 21 3.046 10.916 12.913 1.00 0.00 H new ATOM 0 HA VAL B 21 1.727 13.016 14.372 1.00 0.00 H new ATOM 0 HB VAL B 21 4.372 12.808 12.936 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.077 14.787 14.250 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.745 15.165 13.132 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.417 14.954 14.869 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.274 12.606 15.293 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.607 12.667 15.912 1.00 0.00 H new ATOM 0 HG23 VAL B 21 4.136 11.292 14.914 1.00 0.00 H new ATOM 1394 N LEU B 22 0.936 14.635 12.652 1.00 0.00 N ATOM 1395 CA LEU B 22 0.491 15.647 11.683 1.00 0.00 C ATOM 1396 C LEU B 22 1.304 16.945 11.754 1.00 0.00 C ATOM 1397 O LEU B 22 1.429 17.625 10.739 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.005 15.949 11.886 1.00 0.00 C ATOM 1399 CG LEU B 22 -1.960 14.787 11.555 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.406 15.281 11.672 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -1.772 14.244 10.140 1.00 0.00 C ATOM 0 H LEU B 22 0.547 14.764 13.586 1.00 0.00 H new ATOM 0 HA LEU B 22 0.655 15.227 10.691 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.162 16.243 12.924 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.273 16.806 11.268 1.00 0.00 H new ATOM 0 HG LEU B 22 -1.738 13.986 12.260 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.089 14.464 11.439 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.590 15.630 12.688 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -3.568 16.101 10.972 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -2.473 13.428 9.967 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -1.956 15.039 9.418 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -0.752 13.877 10.024 1.00 0.00 H new ATOM 1413 N GLU B 23 1.874 17.294 12.913 1.00 0.00 N ATOM 1414 CA GLU B 23 2.625 18.548 13.087 1.00 0.00 C ATOM 1415 C GLU B 23 3.676 18.497 14.212 1.00 0.00 C ATOM 1416 O GLU B 23 3.533 17.763 15.197 1.00 0.00 O ATOM 1417 CB GLU B 23 1.654 19.735 13.285 1.00 0.00 C ATOM 1418 CG GLU B 23 0.748 19.592 14.516 1.00 0.00 C ATOM 1419 CD GLU B 23 -0.162 20.815 14.690 1.00 0.00 C ATOM 1420 OE1 GLU B 23 -1.400 20.700 14.493 1.00 0.00 O ATOM 1421 OE2 GLU B 23 0.353 21.911 15.025 1.00 0.00 O1- ATOM 0 H GLU B 23 1.830 16.720 13.755 1.00 0.00 H new ATOM 0 HA GLU B 23 3.191 18.694 12.167 1.00 0.00 H new ATOM 0 HB2 GLU B 23 2.232 20.655 13.375 1.00 0.00 H new ATOM 0 HB3 GLU B 23 1.031 19.836 12.396 1.00 0.00 H new ATOM 0 HG2 GLU B 23 0.138 18.694 14.417 1.00 0.00 H new ATOM 0 HG3 GLU B 23 1.362 19.464 15.408 1.00 0.00 H new ATOM 1428 N VAL B 24 4.728 19.309 14.060 1.00 0.00 N ATOM 1429 CA VAL B 24 5.856 19.472 15.000 1.00 0.00 C ATOM 1430 C VAL B 24 6.216 20.958 15.130 1.00 0.00 C ATOM 1431 O VAL B 24 6.274 21.685 14.133 1.00 0.00 O ATOM 1432 CB VAL B 24 7.088 18.648 14.575 1.00 0.00 C ATOM 1433 CG1 VAL B 24 8.202 18.702 15.633 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.757 17.170 14.351 1.00 0.00 C ATOM 0 H VAL B 24 4.826 19.904 13.237 1.00 0.00 H new ATOM 0 HA VAL B 24 5.539 19.092 15.971 1.00 0.00 H new ATOM 0 HB VAL B 24 7.420 19.100 13.641 1.00 0.00 H new ATOM 0 HG11 VAL B 24 9.053 18.109 15.296 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.515 19.736 15.779 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.829 18.299 16.575 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.659 16.636 14.054 1.00 0.00 H new ATOM 0 HG22 VAL B 24 6.369 16.740 15.274 1.00 0.00 H new ATOM 0 HG23 VAL B 24 6.007 17.080 13.565 1.00 0.00 H new ATOM 1444 N ARG B 25 6.436 21.419 16.363 1.00 0.00 N ATOM 1445 CA ARG B 25 6.494 22.842 16.739 1.00 0.00 C ATOM 1446 C ARG B 25 7.687 23.108 17.660 1.00 0.00 C ATOM 1447 O ARG B 25 7.652 22.745 18.836 1.00 0.00 O ATOM 1448 CB ARG B 25 5.162 23.204 17.432 1.00 0.00 C ATOM 1449 CG ARG B 25 3.974 23.232 16.455 1.00 0.00 C ATOM 1450 CD ARG B 25 2.636 23.489 17.166 1.00 0.00 C ATOM 1451 NE ARG B 25 2.105 22.252 17.782 1.00 0.00 N ATOM 1452 CZ ARG B 25 1.892 22.013 19.065 1.00 0.00 C ATOM 1453 NH1 ARG B 25 2.116 22.890 19.999 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 1.425 20.871 19.464 1.00 0.00 N ATOM 0 H ARG B 25 6.584 20.796 17.157 1.00 0.00 H new ATOM 0 HA ARG B 25 6.630 23.463 15.854 1.00 0.00 H new ATOM 0 HB2 ARG B 25 4.960 22.481 18.223 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.258 24.179 17.909 1.00 0.00 H new ATOM 0 HG2 ARG B 25 4.140 24.008 15.708 1.00 0.00 H new ATOM 0 HG3 ARG B 25 3.923 22.282 15.922 1.00 0.00 H new ATOM 0 HD2 ARG B 25 2.771 24.251 17.934 1.00 0.00 H new ATOM 0 HD3 ARG B 25 1.912 23.881 16.452 1.00 0.00 H new ATOM 0 HE ARG B 25 1.876 21.493 17.140 1.00 0.00 H new ATOM 0 HH11 ARG B 25 2.473 23.814 19.756 1.00 0.00 H new ATOM 0 HH12 ARG B 25 1.934 22.654 20.975 1.00 0.00 H new ATOM 0 HH21 ARG B 25 1.216 20.140 18.784 1.00 0.00 H new ATOM 0 HH22 ARG B 25 1.267 20.704 20.458 1.00 0.00 H new ATOM 1468 N ALA B 26 8.746 23.719 17.131 1.00 0.00 N ATOM 1469 CA ALA B 26 9.936 24.100 17.899 1.00 0.00 C ATOM 1470 C ALA B 26 9.813 25.522 18.490 1.00 0.00 C ATOM 1471 O ALA B 26 9.710 26.512 17.761 1.00 0.00 O ATOM 1472 CB ALA B 26 11.168 23.957 17.001 1.00 0.00 C ATOM 0 H ALA B 26 8.805 23.968 16.144 1.00 0.00 H new ATOM 0 HA ALA B 26 10.038 23.433 18.755 1.00 0.00 H new ATOM 0 HB1 ALA B 26 12.060 24.237 17.560 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.258 22.923 16.669 1.00 0.00 H new ATOM 0 HB3 ALA B 26 11.064 24.609 16.134 1.00 0.00 H new ATOM 1478 N GLU B 27 9.868 25.627 19.815 1.00 0.00 N ATOM 1479 CA GLU B 27 9.810 26.878 20.594 1.00 0.00 C ATOM 1480 C GLU B 27 11.187 27.340 21.116 1.00 0.00 C ATOM 1481 O GLU B 27 11.285 28.301 21.884 1.00 0.00 O ATOM 1482 CB GLU B 27 8.806 26.714 21.756 1.00 0.00 C ATOM 1483 CG GLU B 27 7.374 26.373 21.309 1.00 0.00 C ATOM 1484 CD GLU B 27 6.748 27.466 20.421 1.00 0.00 C ATOM 1485 OE1 GLU B 27 6.115 27.122 19.393 1.00 0.00 O ATOM 1486 OE2 GLU B 27 6.885 28.673 20.735 1.00 0.00 O1- ATOM 0 H GLU B 27 9.959 24.805 20.412 1.00 0.00 H new ATOM 0 HA GLU B 27 9.472 27.664 19.919 1.00 0.00 H new ATOM 0 HB2 GLU B 27 9.163 25.929 22.422 1.00 0.00 H new ATOM 0 HB3 GLU B 27 8.784 27.637 22.335 1.00 0.00 H new ATOM 0 HG2 GLU B 27 7.384 25.430 20.763 1.00 0.00 H new ATOM 0 HG3 GLU B 27 6.749 26.225 22.190 1.00 0.00 H new ATOM 1493 N GLY B 28 12.247 26.632 20.722 1.00 0.00 N ATOM 1494 CA GLY B 28 13.645 26.826 21.155 1.00 0.00 C ATOM 1495 C GLY B 28 13.950 26.323 22.576 1.00 0.00 C ATOM 1496 O GLY B 28 14.919 25.596 22.791 1.00 0.00 O ATOM 0 H GLY B 28 12.156 25.865 20.056 1.00 0.00 H new ATOM 0 HA2 GLY B 28 14.303 26.314 20.453 1.00 0.00 H new ATOM 0 HA3 GLY B 28 13.885 27.888 21.100 1.00 0.00 H new ATOM 1500 N GLY B 29 13.082 26.644 23.539 1.00 0.00 N ATOM 1501 CA GLY B 29 13.092 26.067 24.887 1.00 0.00 C ATOM 1502 C GLY B 29 12.506 24.649 24.971 1.00 0.00 C ATOM 1503 O GLY B 29 12.770 23.937 25.937 1.00 0.00 O ATOM 0 H GLY B 29 12.337 27.327 23.401 1.00 0.00 H new ATOM 0 HA2 GLY B 29 14.118 26.046 25.253 1.00 0.00 H new ATOM 0 HA3 GLY B 29 12.529 26.720 25.554 1.00 0.00 H new ATOM 1507 N ALA B 30 11.737 24.225 23.963 1.00 0.00 N ATOM 1508 CA ALA B 30 11.128 22.897 23.846 1.00 0.00 C ATOM 1509 C ALA B 30 10.683 22.587 22.398 1.00 0.00 C ATOM 1510 O ALA B 30 10.533 23.502 21.583 1.00 0.00 O ATOM 1511 CB ALA B 30 9.919 22.824 24.794 1.00 0.00 C ATOM 0 H ALA B 30 11.512 24.826 23.170 1.00 0.00 H new ATOM 0 HA ALA B 30 11.874 22.151 24.118 1.00 0.00 H new ATOM 0 HB1 ALA B 30 9.455 21.840 24.717 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.250 22.990 25.819 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.194 23.589 24.518 1.00 0.00 H new ATOM 1517 N VAL B 31 10.387 21.317 22.109 1.00 0.00 N ATOM 1518 CA VAL B 31 9.564 20.890 20.954 1.00 0.00 C ATOM 1519 C VAL B 31 8.248 20.269 21.431 1.00 0.00 C ATOM 1520 O VAL B 31 8.236 19.507 22.398 1.00 0.00 O ATOM 1521 CB VAL B 31 10.329 19.928 20.019 1.00 0.00 C ATOM 1522 CG1 VAL B 31 9.444 19.346 18.910 1.00 0.00 C ATOM 1523 CG2 VAL B 31 11.484 20.644 19.315 1.00 0.00 C ATOM 0 H VAL B 31 10.715 20.535 22.677 1.00 0.00 H new ATOM 0 HA VAL B 31 9.333 21.781 20.369 1.00 0.00 H new ATOM 0 HB VAL B 31 10.686 19.129 20.668 1.00 0.00 H new ATOM 0 HG11 VAL B 31 10.036 18.678 18.285 1.00 0.00 H new ATOM 0 HG12 VAL B 31 8.620 18.790 19.357 1.00 0.00 H new ATOM 0 HG13 VAL B 31 9.046 20.156 18.299 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.004 19.942 18.664 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.092 21.469 18.720 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.179 21.032 20.059 1.00 0.00 H new ATOM 1533 N ARG B 32 7.150 20.563 20.726 1.00 0.00 N ATOM 1534 CA ARG B 32 5.820 19.955 20.884 1.00 0.00 C ATOM 1535 C ARG B 32 5.429 19.198 19.606 1.00 0.00 C ATOM 1536 O ARG B 32 5.775 19.621 18.506 1.00 0.00 O ATOM 1537 CB ARG B 32 4.796 21.036 21.282 1.00 0.00 C ATOM 1538 CG ARG B 32 5.112 21.651 22.657 1.00 0.00 C ATOM 1539 CD ARG B 32 4.261 22.881 23.008 1.00 0.00 C ATOM 1540 NE ARG B 32 2.855 22.544 23.305 1.00 0.00 N ATOM 1541 CZ ARG B 32 1.992 23.263 23.997 1.00 0.00 C ATOM 1542 NH1 ARG B 32 0.782 22.829 24.178 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 2.296 24.420 24.511 1.00 0.00 N ATOM 0 H ARG B 32 7.164 21.269 19.990 1.00 0.00 H new ATOM 0 HA ARG B 32 5.837 19.220 21.689 1.00 0.00 H new ATOM 0 HB2 ARG B 32 4.787 21.822 20.527 1.00 0.00 H new ATOM 0 HB3 ARG B 32 3.797 20.600 21.301 1.00 0.00 H new ATOM 0 HG2 ARG B 32 4.966 20.891 23.425 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.165 21.932 22.683 1.00 0.00 H new ATOM 0 HD2 ARG B 32 4.698 23.384 23.870 1.00 0.00 H new ATOM 0 HD3 ARG B 32 4.292 23.586 22.178 1.00 0.00 H new ATOM 0 HE ARG B 32 2.513 21.657 22.934 1.00 0.00 H new ATOM 0 HH11 ARG B 32 0.498 21.932 23.785 1.00 0.00 H new ATOM 0 HH12 ARG B 32 0.115 23.385 24.713 1.00 0.00 H new ATOM 0 HH21 ARG B 32 3.233 24.804 24.385 1.00 0.00 H new ATOM 0 HH22 ARG B 32 1.597 24.943 25.039 1.00 0.00 H new ATOM 1557 N VAL B 33 4.738 18.069 19.754 1.00 0.00 N ATOM 1558 CA VAL B 33 4.401 17.098 18.690 1.00 0.00 C ATOM 1559 C VAL B 33 2.930 16.697 18.807 1.00 0.00 C ATOM 1560 O VAL B 33 2.474 16.438 19.923 1.00 0.00 O ATOM 1561 CB VAL B 33 5.294 15.838 18.802 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.961 14.781 17.741 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.790 16.153 18.679 1.00 0.00 C ATOM 0 H VAL B 33 4.375 17.783 20.663 1.00 0.00 H new ATOM 0 HA VAL B 33 4.577 17.566 17.721 1.00 0.00 H new ATOM 0 HB VAL B 33 5.080 15.449 19.797 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.617 13.920 17.867 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.924 14.466 17.854 1.00 0.00 H new ATOM 0 HG13 VAL B 33 5.105 15.205 16.747 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.364 15.231 18.765 1.00 0.00 H new ATOM 0 HG22 VAL B 33 6.986 16.613 17.711 1.00 0.00 H new ATOM 0 HG23 VAL B 33 7.084 16.839 19.473 1.00 0.00 H new ATOM 1573 N THR B 34 2.194 16.593 17.692 1.00 0.00 N ATOM 1574 CA THR B 34 0.754 16.252 17.698 1.00 0.00 C ATOM 1575 C THR B 34 0.398 15.177 16.664 1.00 0.00 C ATOM 1576 O THR B 34 0.749 15.288 15.487 1.00 0.00 O ATOM 1577 CB THR B 34 -0.116 17.501 17.479 1.00 0.00 C ATOM 1578 OG1 THR B 34 0.209 18.502 18.413 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.621 17.245 17.605 1.00 0.00 C ATOM 0 H THR B 34 2.575 16.742 16.758 1.00 0.00 H new ATOM 0 HA THR B 34 0.543 15.841 18.685 1.00 0.00 H new ATOM 0 HB THR B 34 0.098 17.810 16.456 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.453 19.223 18.364 1.00 0.00 H new ATOM 0 HG21 THR B 34 -2.164 18.175 17.437 1.00 0.00 H new ATOM 0 HG22 THR B 34 -1.928 16.507 16.864 1.00 0.00 H new ATOM 0 HG23 THR B 34 -1.844 16.870 18.604 1.00 0.00 H new ATOM 1587 N THR B 35 -0.309 14.131 17.102 1.00 0.00 N ATOM 1588 CA THR B 35 -0.748 13.005 16.254 1.00 0.00 C ATOM 1589 C THR B 35 -2.074 13.266 15.529 1.00 0.00 C ATOM 1590 O THR B 35 -2.844 14.172 15.865 1.00 0.00 O ATOM 1591 CB THR B 35 -0.846 11.688 17.046 1.00 0.00 C ATOM 1592 OG1 THR B 35 -1.964 11.708 17.908 1.00 0.00 O ATOM 1593 CG2 THR B 35 0.402 11.388 17.882 1.00 0.00 C ATOM 0 H THR B 35 -0.601 14.036 18.075 1.00 0.00 H new ATOM 0 HA THR B 35 0.029 12.909 15.495 1.00 0.00 H new ATOM 0 HB THR B 35 -0.947 10.902 16.297 1.00 0.00 H new ATOM 0 HG1 THR B 35 -2.011 10.863 18.402 1.00 0.00 H new ATOM 0 HG21 THR B 35 0.266 10.446 18.414 1.00 0.00 H new ATOM 0 HG22 THR B 35 1.270 11.312 17.226 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.560 12.192 18.601 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.393 12.411 14.555 1.00 0.00 N ATOM 1602 CA LEU B 36 -3.686 12.334 13.866 1.00 0.00 C ATOM 1603 C LEU B 36 -4.863 12.079 14.830 1.00 0.00 C ATOM 1604 O LEU B 36 -5.987 12.509 14.566 1.00 0.00 O ATOM 1605 CB LEU B 36 -3.540 11.244 12.784 1.00 0.00 C ATOM 1606 CG LEU B 36 -4.781 11.015 11.897 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -4.346 10.619 10.486 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -5.675 9.884 12.415 1.00 0.00 C ATOM 0 H LEU B 36 -1.727 11.721 14.208 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.935 13.291 13.407 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -2.699 11.506 12.141 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.287 10.303 13.273 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.339 11.951 11.908 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.227 10.459 9.865 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -3.739 11.415 10.056 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -3.761 9.700 10.530 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -6.533 9.766 11.753 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -5.107 8.954 12.441 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -6.022 10.126 13.420 1.00 0.00 H new ATOM 1620 N PHE B 37 -4.595 11.421 15.961 1.00 0.00 N ATOM 1621 CA PHE B 37 -5.548 11.149 17.042 1.00 0.00 C ATOM 1622 C PHE B 37 -5.621 12.275 18.099 1.00 0.00 C ATOM 1623 O PHE B 37 -6.227 12.094 19.157 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.222 9.769 17.638 1.00 0.00 C ATOM 1625 CG PHE B 37 -5.185 8.664 16.597 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -3.958 8.268 16.030 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -6.385 8.074 16.153 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -3.934 7.294 15.017 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -6.354 7.094 15.147 1.00 0.00 C ATOM 1630 CZ PHE B 37 -5.132 6.705 14.576 1.00 0.00 C ATOM 0 H PHE B 37 -3.667 11.046 16.158 1.00 0.00 H new ATOM 0 HA PHE B 37 -6.556 11.128 16.629 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.257 9.817 18.143 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -5.966 9.522 18.395 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -3.036 8.713 16.374 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -7.328 8.375 16.586 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -2.994 6.997 14.577 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -7.274 6.638 14.812 1.00 0.00 H new ATOM 0 HZ PHE B 37 -5.112 5.955 13.799 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.029 13.443 17.811 1.00 0.00 N ATOM 1641 CA ASP B 38 -4.965 14.646 18.663 1.00 0.00 C ATOM 1642 C ASP B 38 -4.249 14.446 20.021 1.00 0.00 C ATOM 1643 O ASP B 38 -4.448 15.222 20.960 1.00 0.00 O ATOM 1644 CB ASP B 38 -6.351 15.314 18.801 1.00 0.00 C ATOM 1645 CG ASP B 38 -7.057 15.623 17.468 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -8.310 15.560 17.430 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -6.387 15.982 16.469 1.00 0.00 O1- ATOM 0 H ASP B 38 -4.551 13.585 16.921 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.315 15.342 18.134 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -6.994 14.664 19.394 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -6.236 16.243 19.359 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.392 13.422 20.146 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.489 13.276 21.298 1.00 0.00 C ATOM 1654 C GLU B 39 -1.300 14.246 21.166 1.00 0.00 C ATOM 1655 O GLU B 39 -0.613 14.249 20.140 1.00 0.00 O ATOM 1656 CB GLU B 39 -1.972 11.827 21.422 1.00 0.00 C ATOM 1657 CG GLU B 39 -3.079 10.780 21.605 1.00 0.00 C ATOM 1658 CD GLU B 39 -3.933 10.975 22.877 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -5.114 10.542 22.886 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -3.431 11.506 23.900 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.305 12.676 19.456 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.053 13.516 22.200 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.397 11.580 20.529 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.288 11.768 22.268 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -3.734 10.805 20.734 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -2.625 9.789 21.634 1.00 0.00 H new ATOM 1667 N GLU B 40 -1.042 15.059 22.193 1.00 0.00 N ATOM 1668 CA GLU B 40 0.132 15.937 22.267 1.00 0.00 C ATOM 1669 C GLU B 40 1.254 15.340 23.135 1.00 0.00 C ATOM 1670 O GLU B 40 1.003 14.800 24.216 1.00 0.00 O ATOM 1671 CB GLU B 40 -0.269 17.352 22.729 1.00 0.00 C ATOM 1672 CG GLU B 40 0.942 18.304 22.745 1.00 0.00 C ATOM 1673 CD GLU B 40 0.564 19.783 22.902 1.00 0.00 C ATOM 1674 OE1 GLU B 40 -0.271 20.143 23.765 1.00 0.00 O ATOM 1675 OE2 GLU B 40 1.160 20.636 22.205 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.650 15.128 23.009 1.00 0.00 H new ATOM 0 HA GLU B 40 0.542 16.021 21.260 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -1.037 17.749 22.065 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -0.706 17.300 23.726 1.00 0.00 H new ATOM 0 HG2 GLU B 40 1.606 18.019 23.562 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.504 18.178 21.819 1.00 0.00 H new ATOM 1682 N HIS B 41 2.497 15.499 22.675 1.00 0.00 N ATOM 1683 CA HIS B 41 3.733 15.171 23.391 1.00 0.00 C ATOM 1684 C HIS B 41 4.653 16.402 23.432 1.00 0.00 C ATOM 1685 O HIS B 41 4.624 17.222 22.510 1.00 0.00 O ATOM 1686 CB HIS B 41 4.423 13.979 22.712 1.00 0.00 C ATOM 1687 CG HIS B 41 3.516 12.803 22.431 1.00 0.00 C ATOM 1688 ND1 HIS B 41 3.185 11.791 23.339 1.00 0.00 N ATOM 1689 CD2 HIS B 41 2.831 12.588 21.265 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.323 10.981 22.689 1.00 0.00 C ATOM 1691 NE2 HIS B 41 2.082 11.445 21.450 1.00 0.00 N ATOM 0 H HIS B 41 2.678 15.879 21.746 1.00 0.00 H new ATOM 0 HA HIS B 41 3.501 14.889 24.418 1.00 0.00 H new ATOM 0 HB2 HIS B 41 4.860 14.316 21.772 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.245 13.644 23.344 1.00 0.00 H new ATOM 0 HD2 HIS B 41 2.870 13.196 20.373 1.00 0.00 H new ATOM 0 HE1 HIS B 41 1.887 10.085 23.106 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.454 11.024 20.765 1.00 0.00 H new ATOM 1699 N ALA B 42 5.475 16.549 24.474 1.00 0.00 N ATOM 1700 CA ALA B 42 6.356 17.707 24.654 1.00 0.00 C ATOM 1701 C ALA B 42 7.708 17.330 25.285 1.00 0.00 C ATOM 1702 O ALA B 42 7.769 16.494 26.198 1.00 0.00 O ATOM 1703 CB ALA B 42 5.633 18.775 25.491 1.00 0.00 C ATOM 0 H ALA B 42 5.549 15.861 25.224 1.00 0.00 H new ATOM 0 HA ALA B 42 6.584 18.111 23.668 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.287 19.636 25.625 1.00 0.00 H new ATOM 0 HB2 ALA B 42 4.724 19.087 24.977 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.375 18.360 26.465 1.00 0.00 H new ATOM 1709 N PHE B 43 8.783 17.957 24.801 1.00 0.00 N ATOM 1710 CA PHE B 43 10.174 17.599 25.115 1.00 0.00 C ATOM 1711 C PHE B 43 11.049 18.858 25.273 1.00 0.00 C ATOM 1712 O PHE B 43 11.271 19.570 24.288 1.00 0.00 O ATOM 1713 CB PHE B 43 10.716 16.677 24.009 1.00 0.00 C ATOM 1714 CG PHE B 43 9.898 15.419 23.820 1.00 0.00 C ATOM 1715 CD1 PHE B 43 8.895 15.369 22.835 1.00 0.00 C ATOM 1716 CD2 PHE B 43 10.082 14.326 24.686 1.00 0.00 C ATOM 1717 CE1 PHE B 43 8.065 14.241 22.730 1.00 0.00 C ATOM 1718 CE2 PHE B 43 9.261 13.190 24.571 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.244 13.152 23.604 1.00 0.00 C ATOM 0 H PHE B 43 8.711 18.749 24.163 1.00 0.00 H new ATOM 0 HA PHE B 43 10.204 17.070 26.067 1.00 0.00 H new ATOM 0 HB2 PHE B 43 10.744 17.228 23.069 1.00 0.00 H new ATOM 0 HB3 PHE B 43 11.743 16.401 24.248 1.00 0.00 H new ATOM 0 HD1 PHE B 43 8.763 16.200 22.158 1.00 0.00 H new ATOM 0 HD2 PHE B 43 10.855 14.359 25.440 1.00 0.00 H new ATOM 0 HE1 PHE B 43 7.290 14.209 21.979 1.00 0.00 H new ATOM 0 HE2 PHE B 43 9.413 12.346 25.227 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.600 12.288 23.531 1.00 0.00 H new ATOM 1729 N PRO B 44 11.533 19.181 26.491 1.00 0.00 N ATOM 1730 CA PRO B 44 12.318 20.393 26.745 1.00 0.00 C ATOM 1731 C PRO B 44 13.733 20.326 26.146 1.00 0.00 C ATOM 1732 O PRO B 44 14.347 19.260 26.052 1.00 0.00 O ATOM 1733 CB PRO B 44 12.350 20.552 28.270 1.00 0.00 C ATOM 1734 CG PRO B 44 12.237 19.115 28.774 1.00 0.00 C ATOM 1735 CD PRO B 44 11.328 18.449 27.738 1.00 0.00 C ATOM 0 HA PRO B 44 11.862 21.256 26.259 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.273 21.025 28.606 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.526 21.170 28.628 1.00 0.00 H new ATOM 0 HG2 PRO B 44 13.211 18.629 28.826 1.00 0.00 H new ATOM 0 HG3 PRO B 44 11.806 19.072 29.774 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.580 17.395 27.618 1.00 0.00 H new ATOM 0 HD3 PRO B 44 10.284 18.493 28.049 1.00 0.00 H new ATOM 1743 N GLY B 45 14.263 21.490 25.764 1.00 0.00 N ATOM 1744 CA GLY B 45 15.639 21.689 25.297 1.00 0.00 C ATOM 1745 C GLY B 45 15.919 21.236 23.854 1.00 0.00 C ATOM 1746 O GLY B 45 17.081 21.227 23.445 1.00 0.00 O ATOM 0 H GLY B 45 13.724 22.356 25.771 1.00 0.00 H new ATOM 0 HA2 GLY B 45 15.883 22.748 25.381 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.312 21.152 25.965 1.00 0.00 H new ATOM 1750 N LEU B 46 14.898 20.839 23.088 1.00 0.00 N ATOM 1751 CA LEU B 46 15.042 20.387 21.697 1.00 0.00 C ATOM 1752 C LEU B 46 14.706 21.468 20.653 1.00 0.00 C ATOM 1753 O LEU B 46 14.043 22.468 20.949 1.00 0.00 O ATOM 1754 CB LEU B 46 14.195 19.114 21.474 1.00 0.00 C ATOM 1755 CG LEU B 46 14.519 17.913 22.392 1.00 0.00 C ATOM 1756 CD1 LEU B 46 13.733 16.690 21.913 1.00 0.00 C ATOM 1757 CD2 LEU B 46 16.007 17.529 22.376 1.00 0.00 C ATOM 0 H LEU B 46 13.934 20.822 23.420 1.00 0.00 H new ATOM 0 HA LEU B 46 16.097 20.160 21.545 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.145 19.373 21.606 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.318 18.797 20.438 1.00 0.00 H new ATOM 0 HG LEU B 46 14.248 18.213 23.404 1.00 0.00 H new ATOM 0 HD11 LEU B 46 13.957 15.839 22.556 1.00 0.00 H new ATOM 0 HD12 LEU B 46 12.665 16.905 21.954 1.00 0.00 H new ATOM 0 HD13 LEU B 46 14.017 16.454 20.887 1.00 0.00 H new ATOM 0 HD21 LEU B 46 16.171 16.680 23.040 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.302 17.259 21.362 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.605 18.375 22.715 1.00 0.00 H new ATOM 1769 N ALA B 47 15.098 21.202 19.410 1.00 0.00 N ATOM 1770 CA ALA B 47 14.648 21.849 18.176 1.00 0.00 C ATOM 1771 C ALA B 47 14.602 20.822 17.019 1.00 0.00 C ATOM 1772 O ALA B 47 15.136 19.720 17.136 1.00 0.00 O ATOM 1773 CB ALA B 47 15.567 23.036 17.863 1.00 0.00 C ATOM 0 H ALA B 47 15.789 20.476 19.223 1.00 0.00 H new ATOM 0 HA ALA B 47 13.635 22.232 18.302 1.00 0.00 H new ATOM 0 HB1 ALA B 47 15.235 23.521 16.945 1.00 0.00 H new ATOM 0 HB2 ALA B 47 15.530 23.751 18.685 1.00 0.00 H new ATOM 0 HB3 ALA B 47 16.590 22.681 17.737 1.00 0.00 H new ATOM 1779 N ILE B 48 13.954 21.168 15.901 1.00 0.00 N ATOM 1780 CA ILE B 48 13.847 20.288 14.722 1.00 0.00 C ATOM 1781 C ILE B 48 15.172 20.289 13.944 1.00 0.00 C ATOM 1782 O ILE B 48 15.687 21.351 13.579 1.00 0.00 O ATOM 1783 CB ILE B 48 12.643 20.695 13.844 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.297 20.593 14.610 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.567 19.823 12.577 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.267 21.605 14.084 1.00 0.00 C ATOM 0 H ILE B 48 13.487 22.067 15.784 1.00 0.00 H new ATOM 0 HA ILE B 48 13.662 19.265 15.049 1.00 0.00 H new ATOM 0 HB ILE B 48 12.803 21.737 13.566 1.00 0.00 H new ATOM 0 HG12 ILE B 48 10.898 19.583 14.512 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.468 20.767 15.672 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.711 20.129 11.975 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.481 19.945 11.996 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.455 18.777 12.862 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.338 21.503 14.645 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.655 22.616 14.206 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.076 21.414 13.028 1.00 0.00 H new ATOM 1798 N GLY B 49 15.726 19.101 13.683 1.00 0.00 N ATOM 1799 CA GLY B 49 16.976 18.891 12.951 1.00 0.00 C ATOM 1800 C GLY B 49 16.777 18.650 11.449 1.00 0.00 C ATOM 1801 O GLY B 49 17.362 19.345 10.616 1.00 0.00 O ATOM 0 H GLY B 49 15.299 18.227 13.988 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.618 19.761 13.089 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.500 18.037 13.381 1.00 0.00 H new ATOM 1805 N ARG B 50 15.927 17.677 11.088 1.00 0.00 N ATOM 1806 CA ARG B 50 15.670 17.263 9.696 1.00 0.00 C ATOM 1807 C ARG B 50 14.204 16.877 9.475 1.00 0.00 C ATOM 1808 O ARG B 50 13.555 16.361 10.387 1.00 0.00 O ATOM 1809 CB ARG B 50 16.611 16.100 9.348 1.00 0.00 C ATOM 1810 CG ARG B 50 16.912 16.045 7.846 1.00 0.00 C ATOM 1811 CD ARG B 50 17.815 14.862 7.488 1.00 0.00 C ATOM 1812 NE ARG B 50 17.084 13.582 7.548 1.00 0.00 N ATOM 1813 CZ ARG B 50 17.223 12.599 8.417 1.00 0.00 C ATOM 1814 NH1 ARG B 50 18.075 12.637 9.401 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 16.492 11.533 8.305 1.00 0.00 N ATOM 0 H ARG B 50 15.386 17.143 11.769 1.00 0.00 H new ATOM 0 HA ARG B 50 15.867 18.106 9.033 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.543 16.208 9.902 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.159 15.159 9.663 1.00 0.00 H new ATOM 0 HG2 ARG B 50 15.977 15.969 7.291 1.00 0.00 H new ATOM 0 HG3 ARG B 50 17.391 16.974 7.537 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.220 15.003 6.486 1.00 0.00 H new ATOM 0 HD3 ARG B 50 18.662 14.830 8.173 1.00 0.00 H new ATOM 0 HE ARG B 50 16.380 13.438 6.824 1.00 0.00 H new ATOM 0 HH11 ARG B 50 18.673 13.454 9.526 1.00 0.00 H new ATOM 0 HH12 ARG B 50 18.144 11.850 10.046 1.00 0.00 H new ATOM 0 HH21 ARG B 50 15.813 11.457 7.547 1.00 0.00 H new ATOM 0 HH22 ARG B 50 16.596 10.771 8.975 1.00 0.00 H new ATOM 1829 N VAL B 51 13.707 17.085 8.257 1.00 0.00 N ATOM 1830 CA VAL B 51 12.336 16.754 7.828 1.00 0.00 C ATOM 1831 C VAL B 51 12.384 16.125 6.438 1.00 0.00 C ATOM 1832 O VAL B 51 12.572 16.819 5.437 1.00 0.00 O ATOM 1833 CB VAL B 51 11.440 18.010 7.837 1.00 0.00 C ATOM 1834 CG1 VAL B 51 9.999 17.702 7.398 1.00 0.00 C ATOM 1835 CG2 VAL B 51 11.374 18.679 9.214 1.00 0.00 C ATOM 0 H VAL B 51 14.262 17.503 7.510 1.00 0.00 H new ATOM 0 HA VAL B 51 11.902 16.040 8.528 1.00 0.00 H new ATOM 0 HB VAL B 51 11.909 18.688 7.124 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.408 18.618 7.421 1.00 0.00 H new ATOM 0 HG12 VAL B 51 10.005 17.300 6.385 1.00 0.00 H new ATOM 0 HG13 VAL B 51 9.561 16.970 8.076 1.00 0.00 H new ATOM 0 HG21 VAL B 51 10.730 19.557 9.161 1.00 0.00 H new ATOM 0 HG22 VAL B 51 10.969 17.975 9.941 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.376 18.981 9.520 1.00 0.00 H new ATOM 1845 N ASP B 52 12.205 14.810 6.358 1.00 0.00 N ATOM 1846 CA ASP B 52 12.127 14.061 5.101 1.00 0.00 C ATOM 1847 C ASP B 52 10.656 13.824 4.718 1.00 0.00 C ATOM 1848 O ASP B 52 9.998 12.958 5.288 1.00 0.00 O ATOM 1849 CB ASP B 52 12.864 12.717 5.218 1.00 0.00 C ATOM 1850 CG ASP B 52 14.336 12.789 5.646 1.00 0.00 C ATOM 1851 OD1 ASP B 52 14.866 11.747 6.097 1.00 0.00 O ATOM 1852 OD2 ASP B 52 15.001 13.849 5.541 1.00 0.00 O1- ATOM 0 H ASP B 52 12.107 14.218 7.183 1.00 0.00 H new ATOM 0 HA ASP B 52 12.609 14.650 4.321 1.00 0.00 H new ATOM 0 HB2 ASP B 52 12.329 12.093 5.934 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.811 12.212 4.254 1.00 0.00 H new ATOM 1857 N LEU B 53 10.129 14.537 3.719 1.00 0.00 N ATOM 1858 CA LEU B 53 8.839 14.192 3.107 1.00 0.00 C ATOM 1859 C LEU B 53 8.966 12.914 2.248 1.00 0.00 C ATOM 1860 O LEU B 53 8.006 12.161 2.103 1.00 0.00 O ATOM 1861 CB LEU B 53 8.289 15.363 2.266 1.00 0.00 C ATOM 1862 CG LEU B 53 8.100 16.752 2.901 1.00 0.00 C ATOM 1863 CD1 LEU B 53 7.337 16.676 4.220 1.00 0.00 C ATOM 1864 CD2 LEU B 53 9.405 17.525 3.105 1.00 0.00 C ATOM 0 H LEU B 53 10.576 15.360 3.314 1.00 0.00 H new ATOM 0 HA LEU B 53 8.129 13.996 3.911 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.954 15.487 1.411 1.00 0.00 H new ATOM 0 HB3 LEU B 53 7.320 15.052 1.875 1.00 0.00 H new ATOM 0 HG LEU B 53 7.509 17.308 2.173 1.00 0.00 H new ATOM 0 HD11 LEU B 53 7.226 17.678 4.634 1.00 0.00 H new ATOM 0 HD12 LEU B 53 6.352 16.244 4.046 1.00 0.00 H new ATOM 0 HD13 LEU B 53 7.888 16.052 4.924 1.00 0.00 H new ATOM 0 HD21 LEU B 53 9.188 18.493 3.557 1.00 0.00 H new ATOM 0 HD22 LEU B 53 10.065 16.958 3.762 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.893 17.675 2.142 1.00 0.00 H new ATOM 1876 N ARG B 54 10.173 12.628 1.734 1.00 0.00 N ATOM 1877 CA ARG B 54 10.535 11.437 0.938 1.00 0.00 C ATOM 1878 C ARG B 54 10.273 10.103 1.661 1.00 0.00 C ATOM 1879 O ARG B 54 10.047 9.088 1.005 1.00 0.00 O ATOM 1880 CB ARG B 54 12.020 11.573 0.551 1.00 0.00 C ATOM 1881 CG ARG B 54 12.437 10.671 -0.626 1.00 0.00 C ATOM 1882 CD ARG B 54 13.951 10.685 -0.872 1.00 0.00 C ATOM 1883 NE ARG B 54 14.488 12.025 -1.201 1.00 0.00 N ATOM 1884 CZ ARG B 54 14.581 12.592 -2.388 1.00 0.00 C ATOM 1885 NH1 ARG B 54 14.122 12.044 -3.478 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 15.172 13.745 -2.479 1.00 0.00 N ATOM 0 H ARG B 54 10.968 13.253 1.868 1.00 0.00 H new ATOM 0 HA ARG B 54 9.896 11.404 0.056 1.00 0.00 H new ATOM 0 HB2 ARG B 54 12.225 12.612 0.292 1.00 0.00 H new ATOM 0 HB3 ARG B 54 12.636 11.333 1.418 1.00 0.00 H new ATOM 0 HG2 ARG B 54 12.114 9.649 -0.428 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.923 10.998 -1.530 1.00 0.00 H new ATOM 0 HD2 ARG B 54 14.458 10.308 0.016 1.00 0.00 H new ATOM 0 HD3 ARG B 54 14.184 10.000 -1.687 1.00 0.00 H new ATOM 0 HE ARG B 54 14.827 12.577 -0.413 1.00 0.00 H new ATOM 0 HH11 ARG B 54 13.665 11.133 -3.437 1.00 0.00 H new ATOM 0 HH12 ARG B 54 14.220 12.526 -4.372 1.00 0.00 H new ATOM 0 HH21 ARG B 54 15.551 14.191 -1.644 1.00 0.00 H new ATOM 0 HH22 ARG B 54 15.257 14.204 -3.386 1.00 0.00 H new ATOM 1900 N SER B 55 10.292 10.108 2.998 1.00 0.00 N ATOM 1901 CA SER B 55 10.103 8.920 3.853 1.00 0.00 C ATOM 1902 C SER B 55 9.167 9.138 5.052 1.00 0.00 C ATOM 1903 O SER B 55 8.834 8.178 5.758 1.00 0.00 O ATOM 1904 CB SER B 55 11.475 8.454 4.348 1.00 0.00 C ATOM 1905 OG SER B 55 12.064 9.447 5.173 1.00 0.00 O ATOM 0 H SER B 55 10.443 10.961 3.536 1.00 0.00 H new ATOM 0 HA SER B 55 9.615 8.165 3.237 1.00 0.00 H new ATOM 0 HB2 SER B 55 11.371 7.523 4.905 1.00 0.00 H new ATOM 0 HB3 SER B 55 12.124 8.246 3.498 1.00 0.00 H new ATOM 0 HG SER B 55 12.940 9.136 5.484 1.00 0.00 H new ATOM 1911 N GLY B 56 8.747 10.382 5.307 1.00 0.00 N ATOM 1912 CA GLY B 56 7.954 10.786 6.474 1.00 0.00 C ATOM 1913 C GLY B 56 8.747 10.911 7.786 1.00 0.00 C ATOM 1914 O GLY B 56 8.135 11.071 8.837 1.00 0.00 O ATOM 0 H GLY B 56 8.957 11.163 4.685 1.00 0.00 H new ATOM 0 HA2 GLY B 56 7.482 11.745 6.260 1.00 0.00 H new ATOM 0 HA3 GLY B 56 7.153 10.061 6.619 1.00 0.00 H new ATOM 1918 N VAL B 57 10.084 10.814 7.774 1.00 0.00 N ATOM 1919 CA VAL B 57 10.909 10.865 9.000 1.00 0.00 C ATOM 1920 C VAL B 57 11.277 12.305 9.390 1.00 0.00 C ATOM 1921 O VAL B 57 11.813 13.065 8.580 1.00 0.00 O ATOM 1922 CB VAL B 57 12.163 9.980 8.871 1.00 0.00 C ATOM 1923 CG1 VAL B 57 13.055 10.041 10.123 1.00 0.00 C ATOM 1924 CG2 VAL B 57 11.768 8.507 8.668 1.00 0.00 C ATOM 0 H VAL B 57 10.628 10.698 6.919 1.00 0.00 H new ATOM 0 HA VAL B 57 10.300 10.462 9.809 1.00 0.00 H new ATOM 0 HB VAL B 57 12.714 10.365 8.013 1.00 0.00 H new ATOM 0 HG11 VAL B 57 13.925 9.400 9.981 1.00 0.00 H new ATOM 0 HG12 VAL B 57 13.383 11.068 10.286 1.00 0.00 H new ATOM 0 HG13 VAL B 57 12.489 9.699 10.990 1.00 0.00 H new ATOM 0 HG21 VAL B 57 12.668 7.898 8.579 1.00 0.00 H new ATOM 0 HG22 VAL B 57 11.182 8.166 9.522 1.00 0.00 H new ATOM 0 HG23 VAL B 57 11.174 8.412 7.759 1.00 0.00 H new ATOM 1934 N ILE B 58 11.039 12.665 10.652 1.00 0.00 N ATOM 1935 CA ILE B 58 11.470 13.911 11.297 1.00 0.00 C ATOM 1936 C ILE B 58 12.444 13.576 12.437 1.00 0.00 C ATOM 1937 O ILE B 58 12.163 12.710 13.262 1.00 0.00 O ATOM 1938 CB ILE B 58 10.259 14.714 11.821 1.00 0.00 C ATOM 1939 CG1 ILE B 58 9.327 15.127 10.665 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.714 15.955 12.623 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.985 15.707 11.130 1.00 0.00 C ATOM 0 H ILE B 58 10.513 12.065 11.287 1.00 0.00 H new ATOM 0 HA ILE B 58 11.978 14.537 10.563 1.00 0.00 H new ATOM 0 HB ILE B 58 9.700 14.064 12.494 1.00 0.00 H new ATOM 0 HG12 ILE B 58 9.836 15.865 10.046 1.00 0.00 H new ATOM 0 HG13 ILE B 58 9.138 14.258 10.035 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.839 16.499 12.978 1.00 0.00 H new ATOM 0 HG22 ILE B 58 11.315 15.637 13.475 1.00 0.00 H new ATOM 0 HG23 ILE B 58 11.310 16.605 11.981 1.00 0.00 H new ATOM 0 HD11 ILE B 58 7.384 15.974 10.261 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.454 14.964 11.724 1.00 0.00 H new ATOM 0 HD13 ILE B 58 8.163 16.596 11.735 1.00 0.00 H new ATOM 1953 N SER B 59 13.567 14.287 12.524 1.00 0.00 N ATOM 1954 CA SER B 59 14.516 14.178 13.642 1.00 0.00 C ATOM 1955 C SER B 59 14.553 15.446 14.494 1.00 0.00 C ATOM 1956 O SER B 59 14.456 16.566 13.979 1.00 0.00 O ATOM 1957 CB SER B 59 15.918 13.818 13.140 1.00 0.00 C ATOM 1958 OG SER B 59 16.498 14.874 12.391 1.00 0.00 O ATOM 0 H SER B 59 13.851 14.963 11.815 1.00 0.00 H new ATOM 0 HA SER B 59 14.161 13.370 14.282 1.00 0.00 H new ATOM 0 HB2 SER B 59 16.558 13.581 13.990 1.00 0.00 H new ATOM 0 HB3 SER B 59 15.864 12.922 12.522 1.00 0.00 H new ATOM 0 HG SER B 59 17.392 14.609 12.089 1.00 0.00 H new ATOM 1964 N LEU B 60 14.711 15.277 15.810 1.00 0.00 N ATOM 1965 CA LEU B 60 14.977 16.363 16.757 1.00 0.00 C ATOM 1966 C LEU B 60 16.430 16.326 17.267 1.00 0.00 C ATOM 1967 O LEU B 60 17.050 15.260 17.345 1.00 0.00 O ATOM 1968 CB LEU B 60 13.975 16.333 17.925 1.00 0.00 C ATOM 1969 CG LEU B 60 12.482 16.280 17.549 1.00 0.00 C ATOM 1970 CD1 LEU B 60 11.647 16.413 18.821 1.00 0.00 C ATOM 1971 CD2 LEU B 60 12.060 17.405 16.605 1.00 0.00 C ATOM 0 H LEU B 60 14.656 14.361 16.256 1.00 0.00 H new ATOM 0 HA LEU B 60 14.844 17.305 16.225 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.201 15.466 18.546 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.141 17.218 18.539 1.00 0.00 H new ATOM 0 HG LEU B 60 12.320 15.330 17.040 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.588 16.377 18.566 1.00 0.00 H new ATOM 0 HD12 LEU B 60 11.885 15.594 19.500 1.00 0.00 H new ATOM 0 HD13 LEU B 60 11.871 17.363 19.306 1.00 0.00 H new ATOM 0 HD21 LEU B 60 10.998 17.311 16.379 1.00 0.00 H new ATOM 0 HD22 LEU B 60 12.246 18.368 17.081 1.00 0.00 H new ATOM 0 HD23 LEU B 60 12.635 17.340 15.681 1.00 0.00 H new ATOM 1983 N ILE B 61 16.946 17.495 17.643 1.00 0.00 N ATOM 1984 CA ILE B 61 18.313 17.721 18.151 1.00 0.00 C ATOM 1985 C ILE B 61 18.301 18.653 19.372 1.00 0.00 C ATOM 1986 O ILE B 61 17.355 19.410 19.577 1.00 0.00 O ATOM 1987 CB ILE B 61 19.259 18.260 17.046 1.00 0.00 C ATOM 1988 CG1 ILE B 61 18.854 19.658 16.516 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.366 17.264 15.880 1.00 0.00 C ATOM 1990 CD1 ILE B 61 19.631 20.817 17.149 1.00 0.00 C ATOM 0 H ILE B 61 16.402 18.357 17.603 1.00 0.00 H new ATOM 0 HA ILE B 61 18.704 16.754 18.467 1.00 0.00 H new ATOM 0 HB ILE B 61 20.235 18.373 17.519 1.00 0.00 H new ATOM 0 HG12 ILE B 61 19.002 19.682 15.436 1.00 0.00 H new ATOM 0 HG13 ILE B 61 17.789 19.808 16.695 1.00 0.00 H new ATOM 0 HG21 ILE B 61 20.035 17.665 15.119 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.760 16.316 16.246 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.379 17.103 15.447 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.288 21.760 16.724 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.464 20.822 18.226 1.00 0.00 H new ATOM 0 HD13 ILE B 61 20.695 20.694 16.948 1.00 0.00 H new ATOM 2002 N GLU B 62 19.353 18.604 20.188 1.00 0.00 N ATOM 2003 CA GLU B 62 19.510 19.436 21.390 1.00 0.00 C ATOM 2004 C GLU B 62 19.875 20.880 21.022 1.00 0.00 C ATOM 2005 O GLU B 62 20.942 21.151 20.454 1.00 0.00 O ATOM 2006 CB GLU B 62 20.562 18.835 22.338 1.00 0.00 C ATOM 2007 CG GLU B 62 20.139 17.466 22.901 1.00 0.00 C ATOM 2008 CD GLU B 62 21.083 16.954 24.009 1.00 0.00 C ATOM 2009 OE1 GLU B 62 20.636 16.117 24.832 1.00 0.00 O ATOM 2010 OE2 GLU B 62 22.273 17.354 24.070 1.00 0.00 O1- ATOM 0 H GLU B 62 20.139 17.973 20.033 1.00 0.00 H new ATOM 0 HA GLU B 62 18.552 19.454 21.909 1.00 0.00 H new ATOM 0 HB2 GLU B 62 21.507 18.728 21.805 1.00 0.00 H new ATOM 0 HB3 GLU B 62 20.738 19.525 23.164 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.127 17.540 23.299 1.00 0.00 H new ATOM 0 HG3 GLU B 62 20.111 16.738 22.090 1.00 0.00 H new ATOM 2017 N GLU B 63 18.994 21.826 21.336 1.00 0.00 N ATOM 2018 CA GLU B 63 19.129 23.240 20.975 1.00 0.00 C ATOM 2019 C GLU B 63 20.152 23.972 21.863 1.00 0.00 C ATOM 2020 O GLU B 63 20.164 23.815 23.085 1.00 0.00 O ATOM 2021 CB GLU B 63 17.739 23.892 21.016 1.00 0.00 C ATOM 2022 CG GLU B 63 17.663 25.365 20.601 1.00 0.00 C ATOM 2023 CD GLU B 63 18.230 25.657 19.195 1.00 0.00 C ATOM 2024 OE1 GLU B 63 17.434 25.890 18.253 1.00 0.00 O ATOM 2025 OE2 GLU B 63 19.474 25.697 19.048 1.00 0.00 O1- ATOM 0 H GLU B 63 18.143 21.628 21.862 1.00 0.00 H new ATOM 0 HA GLU B 63 19.525 23.317 19.963 1.00 0.00 H new ATOM 0 HB2 GLU B 63 17.075 23.320 20.368 1.00 0.00 H new ATOM 0 HB3 GLU B 63 17.350 23.803 22.030 1.00 0.00 H new ATOM 0 HG2 GLU B 63 16.622 25.687 20.635 1.00 0.00 H new ATOM 0 HG3 GLU B 63 18.206 25.965 21.331 1.00 0.00 H new ATOM 2032 N GLN B 64 21.006 24.796 21.250 1.00 0.00 N ATOM 2033 CA GLN B 64 22.087 25.561 21.894 1.00 0.00 C ATOM 2034 C GLN B 64 21.734 27.051 22.119 1.00 0.00 C ATOM 2035 O GLN B 64 22.567 27.842 22.570 1.00 0.00 O ATOM 2036 CB GLN B 64 23.404 25.375 21.099 1.00 0.00 C ATOM 2037 CG GLN B 64 23.760 23.903 20.806 1.00 0.00 C ATOM 2038 CD GLN B 64 23.873 23.034 22.060 1.00 0.00 C ATOM 2039 OE1 GLN B 64 24.588 23.346 23.008 1.00 0.00 O ATOM 2040 NE2 GLN B 64 23.198 21.907 22.122 1.00 0.00 N ATOM 0 H GLN B 64 20.964 24.958 20.244 1.00 0.00 H new ATOM 0 HA GLN B 64 22.227 25.158 22.897 1.00 0.00 H new ATOM 0 HB2 GLN B 64 23.325 25.913 20.155 1.00 0.00 H new ATOM 0 HB3 GLN B 64 24.221 25.831 21.658 1.00 0.00 H new ATOM 0 HG2 GLN B 64 23.001 23.479 20.149 1.00 0.00 H new ATOM 0 HG3 GLN B 64 24.706 23.868 20.265 1.00 0.00 H new ATOM 0 HE21 GLN B 64 22.598 21.629 21.346 1.00 0.00 H new ATOM 0 HE22 GLN B 64 23.274 21.311 22.947 1.00 0.00 H new ATOM 2049 N ASN B 65 20.490 27.434 21.812 1.00 0.00 N ATOM 2050 CA ASN B 65 19.938 28.788 21.961 1.00 0.00 C ATOM 2051 C ASN B 65 19.704 29.216 23.431 1.00 0.00 C ATOM 2052 O ASN B 65 19.529 30.406 23.709 1.00 0.00 O ATOM 2053 CB ASN B 65 18.618 28.822 21.165 1.00 0.00 C ATOM 2054 CG ASN B 65 18.149 30.232 20.845 1.00 0.00 C ATOM 2055 OD1 ASN B 65 17.247 30.782 21.465 1.00 0.00 O ATOM 2056 ND2 ASN B 65 18.735 30.837 19.840 1.00 0.00 N ATOM 0 H ASN B 65 19.806 26.778 21.435 1.00 0.00 H new ATOM 0 HA ASN B 65 20.665 29.505 21.579 1.00 0.00 H new ATOM 0 HB2 ASN B 65 18.748 28.269 20.235 1.00 0.00 H new ATOM 0 HB3 ASN B 65 17.844 28.309 21.735 1.00 0.00 H new ATOM 0 HD21 ASN B 65 18.441 31.775 19.568 1.00 0.00 H new ATOM 0 HD22 ASN B 65 19.485 30.370 19.331 1.00 0.00 H new ATOM 2063 N ARG B 66 19.663 28.252 24.367 1.00 0.00 N ATOM 2064 CA ARG B 66 19.377 28.431 25.802 1.00 0.00 C ATOM 2065 C ARG B 66 20.567 28.023 26.686 1.00 0.00 C ATOM 2066 O ARG B 66 20.904 28.796 27.613 1.00 0.00 O ATOM 2067 CB ARG B 66 18.101 27.664 26.203 1.00 0.00 C ATOM 2068 CG ARG B 66 16.849 27.860 25.319 1.00 0.00 C ATOM 2069 CD ARG B 66 16.459 29.313 24.992 1.00 0.00 C ATOM 2070 NE ARG B 66 16.305 30.152 26.195 1.00 0.00 N ATOM 2071 CZ ARG B 66 16.949 31.271 26.482 1.00 0.00 C ATOM 2072 NH1 ARG B 66 17.895 31.769 25.737 1.00 0.00 N1+ ATOM 2073 NH2 ARG B 66 16.645 31.927 27.562 1.00 0.00 N ATOM 2074 OXT ARG B 66 21.155 26.941 26.453 1.00 0.00 O1- ATOM 0 H ARG B 66 19.838 27.275 24.131 1.00 0.00 H new ATOM 0 HA ARG B 66 19.208 29.495 25.969 1.00 0.00 H new ATOM 0 HB2 ARG B 66 18.338 26.600 26.221 1.00 0.00 H new ATOM 0 HB3 ARG B 66 17.842 27.950 27.223 1.00 0.00 H new ATOM 0 HG2 ARG B 66 17.008 27.330 24.380 1.00 0.00 H new ATOM 0 HG3 ARG B 66 16.003 27.383 25.815 1.00 0.00 H new ATOM 0 HD2 ARG B 66 17.219 29.751 24.345 1.00 0.00 H new ATOM 0 HD3 ARG B 66 15.524 29.315 24.432 1.00 0.00 H new ATOM 0 HE ARG B 66 15.624 29.833 26.884 1.00 0.00 H new ATOM 0 HH11 ARG B 66 18.174 31.291 24.880 1.00 0.00 H new ATOM 0 HH12 ARG B 66 18.356 32.637 26.010 1.00 0.00 H new ATOM 0 HH21 ARG B 66 15.914 31.578 28.182 1.00 0.00 H new ATOM 0 HH22 ARG B 66 17.137 32.791 27.790 1.00 0.00 H new TER 2088 ARG B 66