USER MOD reduce.3.24.130724 H: found=0, std=0, add=1054, rem=0, adj=16 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 65 ASN : amide:sc= 1.9 K(o=2.8,f=-1.2) USER MOD Set 1.2: B 65 ASN : amide:sc= 0.917 K(o=2.8,f=1.1) USER MOD Set 2.1: A 0 SER OG : rot -159:sc= 0.543 USER MOD Set 2.2: A -3 GLY N :NH3+ 169:sc= 0.602 (180deg=0) USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.106) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 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 USER MOD Single : A 41 HIS : no HD1:sc= -0.0456 X(o=-0.046,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 : A 64 GLN : amide:sc= 0.897 K(o=0.9,f=0) USER MOD Single : B 0 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -170:sc= 0 (180deg=-0.0538) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B -3 GLY N :NH3+ -140:sc= 0.0603 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0.0202 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 -83:sc= 0.586 USER MOD Single : B 64 GLN : amide:sc= 0.755 K(o=0.76,f=-0.0021) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 8.352 2.528 -2.693 1.00 0.00 N ATOM 2 CA GLY A -3 7.865 1.473 -1.776 1.00 0.00 C ATOM 3 C GLY A -3 6.519 1.835 -1.148 1.00 0.00 C ATOM 4 O GLY A -3 5.938 2.874 -1.485 1.00 0.00 O ATOM 0 H1 GLY A -3 9.341 2.335 -2.951 1.00 0.00 H new ATOM 0 H2 GLY A -3 7.766 2.539 -3.552 1.00 0.00 H new ATOM 0 H3 GLY A -3 8.292 3.453 -2.221 1.00 0.00 H new ATOM 0 HA2 GLY A -3 7.769 0.534 -2.322 1.00 0.00 H new ATOM 0 HA3 GLY A -3 8.600 1.310 -0.988 1.00 0.00 H new ATOM 10 N PRO A -2 5.993 1.013 -0.217 1.00 0.00 N ATOM 11 CA PRO A -2 4.686 1.236 0.424 1.00 0.00 C ATOM 12 C PRO A -2 4.642 2.487 1.326 1.00 0.00 C ATOM 13 O PRO A -2 3.577 3.086 1.511 1.00 0.00 O ATOM 14 CB PRO A -2 4.412 -0.050 1.219 1.00 0.00 C ATOM 15 CG PRO A -2 5.804 -0.607 1.512 1.00 0.00 C ATOM 16 CD PRO A -2 6.596 -0.225 0.266 1.00 0.00 C ATOM 0 HA PRO A -2 3.921 1.436 -0.326 1.00 0.00 H new ATOM 0 HB2 PRO A -2 3.864 0.158 2.138 1.00 0.00 H new ATOM 0 HB3 PRO A -2 3.813 -0.755 0.643 1.00 0.00 H new ATOM 0 HG2 PRO A -2 6.233 -0.168 2.413 1.00 0.00 H new ATOM 0 HG3 PRO A -2 5.783 -1.686 1.662 1.00 0.00 H new ATOM 0 HD2 PRO A -2 7.651 -0.082 0.500 1.00 0.00 H new ATOM 0 HD3 PRO A -2 6.541 -1.009 -0.489 1.00 0.00 H new ATOM 24 N GLY A -1 5.793 2.922 1.853 1.00 0.00 N ATOM 25 CA GLY A -1 5.942 4.162 2.630 1.00 0.00 C ATOM 26 C GLY A -1 6.061 5.446 1.792 1.00 0.00 C ATOM 27 O GLY A -1 5.995 6.550 2.346 1.00 0.00 O ATOM 0 H GLY A -1 6.669 2.410 1.749 1.00 0.00 H new ATOM 0 HA2 GLY A -1 5.085 4.260 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A -1 6.828 4.074 3.259 1.00 0.00 H new ATOM 31 N SER A 0 6.236 5.331 0.471 1.00 0.00 N ATOM 32 CA SER A 0 6.343 6.447 -0.479 1.00 0.00 C ATOM 33 C SER A 0 4.945 6.994 -0.813 1.00 0.00 C ATOM 34 O SER A 0 4.023 6.220 -1.079 1.00 0.00 O ATOM 35 CB SER A 0 7.029 5.978 -1.772 1.00 0.00 C ATOM 36 OG SER A 0 8.254 5.298 -1.522 1.00 0.00 O ATOM 0 H SER A 0 6.310 4.422 0.015 1.00 0.00 H new ATOM 0 HA SER A 0 6.939 7.236 -0.020 1.00 0.00 H new ATOM 0 HB2 SER A 0 6.355 5.318 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 0 7.219 6.840 -2.412 1.00 0.00 H new ATOM 0 HG SER A 0 8.808 5.313 -2.331 1.00 0.00 H new ATOM 42 N MET A 1 4.706 8.304 -0.866 1.00 0.00 N ATOM 43 CA MET A 1 5.560 9.451 -0.512 1.00 0.00 C ATOM 44 C MET A 1 4.696 10.711 -0.326 1.00 0.00 C ATOM 45 O MET A 1 3.597 10.806 -0.872 1.00 0.00 O ATOM 46 CB MET A 1 6.610 9.722 -1.612 1.00 0.00 C ATOM 47 CG MET A 1 6.015 9.812 -3.025 1.00 0.00 C ATOM 48 SD MET A 1 7.135 10.486 -4.288 1.00 0.00 S ATOM 49 CE MET A 1 7.076 12.233 -3.822 1.00 0.00 C ATOM 0 H MET A 1 3.799 8.632 -1.198 1.00 0.00 H new ATOM 0 HA MET A 1 6.076 9.210 0.418 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.128 10.654 -1.386 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.357 8.929 -1.592 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.700 8.815 -3.335 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.119 10.432 -2.987 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.547 12.833 -4.601 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.038 12.543 -3.703 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.608 12.377 -2.882 1.00 0.00 H new ATOM 59 N CYS A 2 5.212 11.702 0.401 1.00 0.00 N ATOM 60 CA CYS A 2 4.651 13.054 0.481 1.00 0.00 C ATOM 61 C CYS A 2 5.592 14.107 -0.144 1.00 0.00 C ATOM 62 O CYS A 2 6.755 13.834 -0.448 1.00 0.00 O ATOM 63 CB CYS A 2 4.371 13.416 1.949 1.00 0.00 C ATOM 64 SG CYS A 2 3.331 12.294 2.915 1.00 0.00 S ATOM 0 H CYS A 2 6.053 11.585 0.966 1.00 0.00 H new ATOM 0 HA CYS A 2 3.721 13.060 -0.088 1.00 0.00 H new ATOM 0 HB2 CYS A 2 5.330 13.506 2.460 1.00 0.00 H new ATOM 0 HB3 CYS A 2 3.906 14.402 1.967 1.00 0.00 H new ATOM 69 N MET A 3 5.092 15.339 -0.272 1.00 0.00 N ATOM 70 CA MET A 3 5.881 16.555 -0.516 1.00 0.00 C ATOM 71 C MET A 3 5.281 17.741 0.267 1.00 0.00 C ATOM 72 O MET A 3 4.153 17.646 0.759 1.00 0.00 O ATOM 73 CB MET A 3 6.008 16.823 -2.032 1.00 0.00 C ATOM 74 CG MET A 3 4.701 17.174 -2.757 1.00 0.00 C ATOM 75 SD MET A 3 4.092 18.866 -2.504 1.00 0.00 S ATOM 76 CE MET A 3 2.628 18.811 -3.576 1.00 0.00 C ATOM 0 H MET A 3 4.092 15.526 -0.207 1.00 0.00 H new ATOM 0 HA MET A 3 6.897 16.416 -0.145 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.715 17.639 -2.180 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.438 15.940 -2.504 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.846 17.015 -3.826 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.928 16.477 -2.433 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.120 19.775 -3.548 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.934 18.592 -4.599 1.00 0.00 H new ATOM 0 HE3 MET A 3 1.950 18.033 -3.226 1.00 0.00 H new ATOM 86 N ALA A 4 6.024 18.845 0.398 1.00 0.00 N ATOM 87 CA ALA A 4 5.604 20.031 1.149 1.00 0.00 C ATOM 88 C ALA A 4 6.030 21.361 0.491 1.00 0.00 C ATOM 89 O ALA A 4 6.868 21.402 -0.414 1.00 0.00 O ATOM 90 CB ALA A 4 6.152 19.918 2.580 1.00 0.00 C ATOM 0 H ALA A 4 6.949 18.940 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 4 4.514 20.056 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.850 20.793 3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.756 19.019 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.240 19.862 2.550 1.00 0.00 H new ATOM 96 N LYS A 5 5.472 22.462 1.000 1.00 0.00 N ATOM 97 CA LYS A 5 5.944 23.840 0.799 1.00 0.00 C ATOM 98 C LYS A 5 6.917 24.220 1.920 1.00 0.00 C ATOM 99 O LYS A 5 6.642 23.936 3.081 1.00 0.00 O ATOM 100 CB LYS A 5 4.716 24.765 0.781 1.00 0.00 C ATOM 101 CG LYS A 5 5.049 26.262 0.795 1.00 0.00 C ATOM 102 CD LYS A 5 3.759 27.097 0.742 1.00 0.00 C ATOM 103 CE LYS A 5 4.069 28.584 0.940 1.00 0.00 C ATOM 104 NZ LYS A 5 2.856 29.424 0.783 1.00 0.00 N1+ ATOM 0 H LYS A 5 4.641 22.419 1.590 1.00 0.00 H new ATOM 0 HA LYS A 5 6.479 23.937 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.124 24.545 -0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.092 24.536 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.612 26.508 1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.685 26.508 -0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.263 26.948 -0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.068 26.758 1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.492 28.738 1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.824 28.897 0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.105 30.424 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.466 29.296 -0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.145 29.142 1.487 1.00 0.00 H new ATOM 118 N VAL A 6 8.000 24.917 1.597 1.00 0.00 N ATOM 119 CA VAL A 6 8.867 25.631 2.555 1.00 0.00 C ATOM 120 C VAL A 6 8.680 27.141 2.396 1.00 0.00 C ATOM 121 O VAL A 6 8.564 27.618 1.269 1.00 0.00 O ATOM 122 CB VAL A 6 10.344 25.230 2.382 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.295 26.032 3.283 1.00 0.00 C ATOM 124 CG2 VAL A 6 10.537 23.755 2.732 1.00 0.00 C ATOM 0 H VAL A 6 8.318 25.010 0.632 1.00 0.00 H new ATOM 0 HA VAL A 6 8.576 25.347 3.566 1.00 0.00 H new ATOM 0 HB VAL A 6 10.584 25.435 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.320 25.703 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.211 27.093 3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.029 25.870 4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.585 23.485 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.241 23.585 3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.922 23.141 2.073 1.00 0.00 H new ATOM 134 N VAL A 7 8.672 27.898 3.496 1.00 0.00 N ATOM 135 CA VAL A 7 8.572 29.370 3.490 1.00 0.00 C ATOM 136 C VAL A 7 9.472 30.032 4.549 1.00 0.00 C ATOM 137 O VAL A 7 9.665 29.509 5.651 1.00 0.00 O ATOM 138 CB VAL A 7 7.097 29.811 3.574 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.409 29.453 4.896 1.00 0.00 C ATOM 140 CG2 VAL A 7 6.917 31.314 3.328 1.00 0.00 C ATOM 0 H VAL A 7 8.736 27.504 4.435 1.00 0.00 H new ATOM 0 HA VAL A 7 8.960 29.729 2.537 1.00 0.00 H new ATOM 0 HB VAL A 7 6.616 29.244 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.375 29.798 4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.428 28.372 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.934 29.934 5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.860 31.570 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.477 31.875 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.286 31.567 2.334 1.00 0.00 H new ATOM 150 N LEU A 8 10.032 31.193 4.188 1.00 0.00 N ATOM 151 CA LEU A 8 10.922 32.042 4.999 1.00 0.00 C ATOM 152 C LEU A 8 10.781 33.527 4.595 1.00 0.00 C ATOM 153 O LEU A 8 10.240 33.829 3.528 1.00 0.00 O ATOM 154 CB LEU A 8 12.371 31.522 4.848 1.00 0.00 C ATOM 155 CG LEU A 8 12.989 31.698 3.439 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.889 32.939 3.351 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.835 30.483 3.062 1.00 0.00 C ATOM 0 H LEU A 8 9.867 31.592 3.264 1.00 0.00 H new ATOM 0 HA LEU A 8 10.643 31.986 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.003 32.037 5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.389 30.463 5.106 1.00 0.00 H new ATOM 0 HG LEU A 8 12.150 31.812 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.299 33.020 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.303 33.830 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.704 32.849 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.259 30.629 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.641 30.362 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.210 29.590 3.062 1.00 0.00 H new ATOM 169 N THR A 9 11.290 34.455 5.413 1.00 0.00 N ATOM 170 CA THR A 9 11.242 35.903 5.131 1.00 0.00 C ATOM 171 C THR A 9 12.594 36.572 5.398 1.00 0.00 C ATOM 172 O THR A 9 13.211 36.347 6.445 1.00 0.00 O ATOM 173 CB THR A 9 10.123 36.614 5.923 1.00 0.00 C ATOM 174 OG1 THR A 9 8.901 35.911 5.832 1.00 0.00 O ATOM 175 CG2 THR A 9 9.837 38.024 5.396 1.00 0.00 C ATOM 0 H THR A 9 11.750 34.227 6.294 1.00 0.00 H new ATOM 0 HA THR A 9 11.012 36.004 4.070 1.00 0.00 H new ATOM 0 HB THR A 9 10.487 36.656 6.949 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.212 36.384 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.043 38.479 5.987 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.739 38.631 5.472 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.525 37.966 4.353 1.00 0.00 H new ATOM 183 N LYS A 10 13.063 37.386 4.445 1.00 0.00 N ATOM 184 CA LYS A 10 14.333 38.133 4.495 1.00 0.00 C ATOM 185 C LYS A 10 14.300 39.295 5.490 1.00 0.00 C ATOM 186 O LYS A 10 13.237 39.820 5.823 1.00 0.00 O ATOM 187 CB LYS A 10 14.673 38.657 3.083 1.00 0.00 C ATOM 188 CG LYS A 10 15.040 37.531 2.110 1.00 0.00 C ATOM 189 CD LYS A 10 15.342 38.066 0.704 1.00 0.00 C ATOM 190 CE LYS A 10 14.069 38.474 -0.045 1.00 0.00 C ATOM 191 NZ LYS A 10 14.367 38.933 -1.428 1.00 0.00 N1+ ATOM 0 H LYS A 10 12.549 37.552 3.580 1.00 0.00 H new ATOM 0 HA LYS A 10 15.104 37.445 4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.820 39.209 2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.504 39.359 3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.909 36.993 2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.220 36.815 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.009 38.925 0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.869 37.303 0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 10 13.382 37.628 -0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 10 13.565 39.271 0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 13.482 39.201 -1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.003 39.755 -1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.826 38.164 -1.958 1.00 0.00 H new ATOM 205 N ALA A 11 15.481 39.768 5.886 1.00 0.00 N ATOM 206 CA ALA A 11 15.661 40.966 6.715 1.00 0.00 C ATOM 207 C ALA A 11 15.179 42.259 6.024 1.00 0.00 C ATOM 208 O ALA A 11 14.745 43.202 6.689 1.00 0.00 O ATOM 209 CB ALA A 11 17.155 41.066 7.058 1.00 0.00 C ATOM 0 H ALA A 11 16.362 39.320 5.635 1.00 0.00 H new ATOM 0 HA ALA A 11 15.050 40.867 7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.328 41.947 7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.464 40.174 7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.735 41.147 6.139 1.00 0.00 H new ATOM 215 N ASP A 12 15.198 42.287 4.688 1.00 0.00 N ATOM 216 CA ASP A 12 14.625 43.342 3.843 1.00 0.00 C ATOM 217 C ASP A 12 13.079 43.333 3.791 1.00 0.00 C ATOM 218 O ASP A 12 12.471 44.229 3.205 1.00 0.00 O ATOM 219 CB ASP A 12 15.207 43.191 2.426 1.00 0.00 C ATOM 220 CG ASP A 12 16.727 43.397 2.313 1.00 0.00 C ATOM 221 OD1 ASP A 12 17.342 44.071 3.174 1.00 0.00 O ATOM 222 OD2 ASP A 12 17.313 42.901 1.320 1.00 0.00 O1- ATOM 0 H ASP A 12 15.632 41.543 4.141 1.00 0.00 H new ATOM 0 HA ASP A 12 14.894 44.301 4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.964 42.195 2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.711 43.905 1.769 1.00 0.00 H new ATOM 227 N GLY A 13 12.437 42.324 4.394 1.00 0.00 N ATOM 228 CA GLY A 13 10.982 42.139 4.440 1.00 0.00 C ATOM 229 C GLY A 13 10.409 41.348 3.256 1.00 0.00 C ATOM 230 O GLY A 13 9.185 41.235 3.138 1.00 0.00 O ATOM 0 H GLY A 13 12.939 41.583 4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.722 41.625 5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.504 43.118 4.474 1.00 0.00 H new ATOM 234 N GLY A 14 11.260 40.802 2.379 1.00 0.00 N ATOM 235 CA GLY A 14 10.823 40.019 1.217 1.00 0.00 C ATOM 236 C GLY A 14 10.624 38.537 1.559 1.00 0.00 C ATOM 237 O GLY A 14 11.563 37.877 2.016 1.00 0.00 O ATOM 0 H GLY A 14 12.273 40.891 2.455 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.889 40.430 0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.562 40.110 0.421 1.00 0.00 H new ATOM 241 N ARG A 15 9.424 37.993 1.330 1.00 0.00 N ATOM 242 CA ARG A 15 9.126 36.560 1.533 1.00 0.00 C ATOM 243 C ARG A 15 9.684 35.707 0.387 1.00 0.00 C ATOM 244 O ARG A 15 9.709 36.142 -0.767 1.00 0.00 O ATOM 245 CB ARG A 15 7.615 36.361 1.722 1.00 0.00 C ATOM 246 CG ARG A 15 7.300 35.059 2.479 1.00 0.00 C ATOM 247 CD ARG A 15 5.790 34.843 2.608 1.00 0.00 C ATOM 248 NE ARG A 15 5.208 34.412 1.322 1.00 0.00 N ATOM 249 CZ ARG A 15 3.982 34.589 0.876 1.00 0.00 C ATOM 250 NH1 ARG A 15 3.055 35.195 1.562 1.00 0.00 N1+ ATOM 251 NH2 ARG A 15 3.683 34.127 -0.298 1.00 0.00 N ATOM 0 H ARG A 15 8.625 38.532 0.997 1.00 0.00 H new ATOM 0 HA ARG A 15 9.625 36.221 2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.203 37.209 2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.126 36.342 0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.747 34.214 1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.751 35.094 3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.590 34.092 3.372 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.313 35.767 2.936 1.00 0.00 H new ATOM 0 HE ARG A 15 5.839 33.911 0.696 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.264 35.559 2.492 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.120 35.306 1.169 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.390 33.641 -0.850 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.741 34.249 -0.669 1.00 0.00 H new ATOM 265 N VAL A 16 10.104 34.488 0.710 1.00 0.00 N ATOM 266 CA VAL A 16 10.621 33.471 -0.225 1.00 0.00 C ATOM 267 C VAL A 16 9.979 32.120 0.111 1.00 0.00 C ATOM 268 O VAL A 16 9.898 31.737 1.281 1.00 0.00 O ATOM 269 CB VAL A 16 12.162 33.393 -0.172 1.00 0.00 C ATOM 270 CG1 VAL A 16 12.731 32.321 -1.110 1.00 0.00 C ATOM 271 CG2 VAL A 16 12.818 34.734 -0.539 1.00 0.00 C ATOM 0 H VAL A 16 10.096 34.158 1.675 1.00 0.00 H new ATOM 0 HA VAL A 16 10.358 33.750 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 16 12.396 33.132 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.818 32.310 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.337 31.345 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.443 32.546 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.902 34.634 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.526 35.017 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.492 35.503 0.162 1.00 0.00 H new ATOM 281 N GLU A 17 9.523 31.381 -0.901 1.00 0.00 N ATOM 282 CA GLU A 17 8.944 30.040 -0.744 1.00 0.00 C ATOM 283 C GLU A 17 9.344 29.071 -1.872 1.00 0.00 C ATOM 284 O GLU A 17 9.642 29.486 -2.997 1.00 0.00 O ATOM 285 CB GLU A 17 7.415 30.111 -0.541 1.00 0.00 C ATOM 286 CG GLU A 17 6.606 30.684 -1.713 1.00 0.00 C ATOM 287 CD GLU A 17 6.685 32.217 -1.817 1.00 0.00 C ATOM 288 OE1 GLU A 17 6.129 32.913 -0.933 1.00 0.00 O ATOM 289 OE2 GLU A 17 7.263 32.732 -2.805 1.00 0.00 O1- ATOM 0 H GLU A 17 9.545 31.700 -1.870 1.00 0.00 H new ATOM 0 HA GLU A 17 9.375 29.618 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.049 29.106 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.214 30.715 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.967 30.245 -2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.563 30.388 -1.604 1.00 0.00 H new ATOM 296 N ILE A 18 9.357 27.773 -1.548 1.00 0.00 N ATOM 297 CA ILE A 18 9.720 26.658 -2.442 1.00 0.00 C ATOM 298 C ILE A 18 8.640 25.571 -2.330 1.00 0.00 C ATOM 299 O ILE A 18 8.362 25.090 -1.231 1.00 0.00 O ATOM 300 CB ILE A 18 11.117 26.094 -2.084 1.00 0.00 C ATOM 301 CG1 ILE A 18 12.248 27.146 -2.169 1.00 0.00 C ATOM 302 CG2 ILE A 18 11.477 24.898 -2.991 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.495 26.745 -1.370 1.00 0.00 C ATOM 0 H ILE A 18 9.104 27.452 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 18 9.773 27.015 -3.471 1.00 0.00 H new ATOM 0 HB ILE A 18 11.043 25.774 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.523 27.293 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.877 28.102 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.463 24.520 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.737 24.108 -2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.486 25.221 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.254 27.521 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.231 26.625 -0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.887 25.804 -1.755 1.00 0.00 H new ATOM 315 N GLY A 19 8.035 25.179 -3.452 1.00 0.00 N ATOM 316 CA GLY A 19 7.071 24.072 -3.530 1.00 0.00 C ATOM 317 C GLY A 19 7.721 22.714 -3.828 1.00 0.00 C ATOM 318 O GLY A 19 8.897 22.640 -4.199 1.00 0.00 O ATOM 0 H GLY A 19 8.202 25.629 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.528 24.007 -2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.338 24.293 -4.306 1.00 0.00 H new ATOM 322 N ASP A 20 6.936 21.639 -3.728 1.00 0.00 N ATOM 323 CA ASP A 20 7.311 20.274 -4.140 1.00 0.00 C ATOM 324 C ASP A 20 8.574 19.708 -3.443 1.00 0.00 C ATOM 325 O ASP A 20 9.340 18.932 -4.018 1.00 0.00 O ATOM 326 CB ASP A 20 7.346 20.169 -5.679 1.00 0.00 C ATOM 327 CG ASP A 20 6.091 20.717 -6.391 1.00 0.00 C ATOM 328 OD1 ASP A 20 4.959 20.585 -5.860 1.00 0.00 O ATOM 329 OD2 ASP A 20 6.222 21.264 -7.515 1.00 0.00 O1- ATOM 0 H ASP A 20 5.991 21.690 -3.347 1.00 0.00 H new ATOM 0 HA ASP A 20 6.525 19.611 -3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.220 20.707 -6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.476 19.123 -5.955 1.00 0.00 H new ATOM 334 N VAL A 21 8.802 20.119 -2.190 1.00 0.00 N ATOM 335 CA VAL A 21 9.963 19.753 -1.356 1.00 0.00 C ATOM 336 C VAL A 21 9.857 18.319 -0.822 1.00 0.00 C ATOM 337 O VAL A 21 8.828 17.949 -0.255 1.00 0.00 O ATOM 338 CB VAL A 21 10.135 20.766 -0.207 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.265 20.381 0.751 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.460 22.152 -0.779 1.00 0.00 C ATOM 0 H VAL A 21 8.157 20.743 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 21 10.851 19.788 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 21 9.195 20.772 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.343 21.128 1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.052 19.407 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.206 20.333 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.580 22.864 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.384 22.100 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.647 22.478 -1.427 1.00 0.00 H new ATOM 350 N LEU A 22 10.934 17.538 -0.965 1.00 0.00 N ATOM 351 CA LEU A 22 11.067 16.186 -0.399 1.00 0.00 C ATOM 352 C LEU A 22 11.875 16.131 0.902 1.00 0.00 C ATOM 353 O LEU A 22 11.698 15.198 1.685 1.00 0.00 O ATOM 354 CB LEU A 22 11.697 15.236 -1.432 1.00 0.00 C ATOM 355 CG LEU A 22 10.884 15.023 -2.718 1.00 0.00 C ATOM 356 CD1 LEU A 22 11.541 13.922 -3.552 1.00 0.00 C ATOM 357 CD2 LEU A 22 9.438 14.617 -2.454 1.00 0.00 C ATOM 0 H LEU A 22 11.758 17.833 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 22 10.054 15.869 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.679 15.623 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.856 14.267 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 22 10.872 15.979 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.968 13.767 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.559 14.217 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.565 12.996 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.919 14.482 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.419 13.682 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.941 15.396 -1.876 1.00 0.00 H new ATOM 369 N GLU A 23 12.746 17.109 1.156 1.00 0.00 N ATOM 370 CA GLU A 23 13.574 17.152 2.372 1.00 0.00 C ATOM 371 C GLU A 23 13.966 18.579 2.787 1.00 0.00 C ATOM 372 O GLU A 23 14.205 19.447 1.946 1.00 0.00 O ATOM 373 CB GLU A 23 14.829 16.272 2.204 1.00 0.00 C ATOM 374 CG GLU A 23 15.734 16.693 1.036 1.00 0.00 C ATOM 375 CD GLU A 23 17.012 15.850 0.984 1.00 0.00 C ATOM 376 OE1 GLU A 23 18.048 16.283 1.545 1.00 0.00 O ATOM 377 OE2 GLU A 23 16.981 14.741 0.400 1.00 0.00 O1- ATOM 0 H GLU A 23 12.901 17.896 0.526 1.00 0.00 H new ATOM 0 HA GLU A 23 12.960 16.753 3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.407 16.301 3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.518 15.238 2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.190 16.589 0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.995 17.746 1.138 1.00 0.00 H new ATOM 384 N VAL A 24 14.076 18.790 4.103 1.00 0.00 N ATOM 385 CA VAL A 24 14.605 19.998 4.752 1.00 0.00 C ATOM 386 C VAL A 24 15.527 19.583 5.903 1.00 0.00 C ATOM 387 O VAL A 24 15.148 18.749 6.730 1.00 0.00 O ATOM 388 CB VAL A 24 13.494 20.930 5.271 1.00 0.00 C ATOM 389 CG1 VAL A 24 14.059 22.251 5.802 1.00 0.00 C ATOM 390 CG2 VAL A 24 12.443 21.247 4.208 1.00 0.00 C ATOM 0 H VAL A 24 13.783 18.087 4.781 1.00 0.00 H new ATOM 0 HA VAL A 24 15.160 20.563 4.003 1.00 0.00 H new ATOM 0 HB VAL A 24 13.018 20.380 6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.242 22.879 6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.746 22.049 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.591 22.767 5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.686 21.907 4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.920 21.738 3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.973 20.322 3.874 1.00 0.00 H new ATOM 400 N ARG A 25 16.737 20.143 5.963 1.00 0.00 N ATOM 401 CA ARG A 25 17.773 19.768 6.937 1.00 0.00 C ATOM 402 C ARG A 25 18.507 20.993 7.479 1.00 0.00 C ATOM 403 O ARG A 25 18.973 21.831 6.706 1.00 0.00 O ATOM 404 CB ARG A 25 18.767 18.772 6.298 1.00 0.00 C ATOM 405 CG ARG A 25 18.128 17.405 5.996 1.00 0.00 C ATOM 406 CD ARG A 25 19.131 16.410 5.402 1.00 0.00 C ATOM 407 NE ARG A 25 19.428 16.702 3.985 1.00 0.00 N ATOM 408 CZ ARG A 25 20.505 17.238 3.453 1.00 0.00 C ATOM 409 NH1 ARG A 25 21.534 17.623 4.156 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 20.540 17.387 2.162 1.00 0.00 N ATOM 0 H ARG A 25 17.033 20.883 5.326 1.00 0.00 H new ATOM 0 HA ARG A 25 17.282 19.285 7.782 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.158 19.198 5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 25 19.615 18.632 6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 25 17.710 16.991 6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 25 17.299 17.540 5.301 1.00 0.00 H new ATOM 0 HD2 ARG A 25 20.055 16.439 5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 25 18.733 15.399 5.488 1.00 0.00 H new ATOM 0 HE ARG A 25 18.692 16.452 3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 25 21.528 17.514 5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 25 22.344 18.033 3.692 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.747 17.092 1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 25 21.361 17.799 1.718 1.00 0.00 H new ATOM 424 N ALA A 26 18.625 21.078 8.798 1.00 0.00 N ATOM 425 CA ALA A 26 19.439 22.086 9.476 1.00 0.00 C ATOM 426 C ALA A 26 20.930 21.688 9.469 1.00 0.00 C ATOM 427 O ALA A 26 21.285 20.509 9.520 1.00 0.00 O ATOM 428 CB ALA A 26 18.888 22.301 10.895 1.00 0.00 C ATOM 0 H ALA A 26 18.152 20.441 9.439 1.00 0.00 H new ATOM 0 HA ALA A 26 19.379 23.034 8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 26 19.489 23.051 11.409 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.854 22.642 10.836 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.930 21.362 11.448 1.00 0.00 H new ATOM 434 N GLU A 27 21.799 22.693 9.419 1.00 0.00 N ATOM 435 CA GLU A 27 23.262 22.604 9.399 1.00 0.00 C ATOM 436 C GLU A 27 23.880 23.537 10.461 1.00 0.00 C ATOM 437 O GLU A 27 23.165 24.189 11.231 1.00 0.00 O ATOM 438 CB GLU A 27 23.764 22.983 7.985 1.00 0.00 C ATOM 439 CG GLU A 27 23.360 22.022 6.857 1.00 0.00 C ATOM 440 CD GLU A 27 24.204 20.734 6.784 1.00 0.00 C ATOM 441 OE1 GLU A 27 24.870 20.343 7.775 1.00 0.00 O ATOM 442 OE2 GLU A 27 24.221 20.097 5.701 1.00 0.00 O1- ATOM 0 H GLU A 27 21.480 23.661 9.389 1.00 0.00 H new ATOM 0 HA GLU A 27 23.568 21.585 9.636 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.391 23.978 7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.852 23.048 8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 27 22.313 21.749 6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 27 23.437 22.547 5.905 1.00 0.00 H new ATOM 449 N GLY A 28 25.215 23.634 10.507 1.00 0.00 N ATOM 450 CA GLY A 28 25.958 24.551 11.380 1.00 0.00 C ATOM 451 C GLY A 28 25.766 26.029 11.009 1.00 0.00 C ATOM 452 O GLY A 28 26.651 26.647 10.412 1.00 0.00 O ATOM 0 H GLY A 28 25.824 23.061 9.922 1.00 0.00 H new ATOM 0 HA2 GLY A 28 25.640 24.398 12.411 1.00 0.00 H new ATOM 0 HA3 GLY A 28 27.019 24.306 11.334 1.00 0.00 H new ATOM 456 N GLY A 29 24.604 26.589 11.357 1.00 0.00 N ATOM 457 CA GLY A 29 24.221 27.980 11.107 1.00 0.00 C ATOM 458 C GLY A 29 23.486 28.230 9.780 1.00 0.00 C ATOM 459 O GLY A 29 23.541 29.344 9.255 1.00 0.00 O ATOM 0 H GLY A 29 23.875 26.064 11.840 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.584 28.317 11.925 1.00 0.00 H new ATOM 0 HA3 GLY A 29 25.120 28.596 11.127 1.00 0.00 H new ATOM 463 N ALA A 30 22.820 27.215 9.219 1.00 0.00 N ATOM 464 CA ALA A 30 22.067 27.297 7.957 1.00 0.00 C ATOM 465 C ALA A 30 20.949 26.238 7.856 1.00 0.00 C ATOM 466 O ALA A 30 20.919 25.273 8.628 1.00 0.00 O ATOM 467 CB ALA A 30 23.064 27.156 6.792 1.00 0.00 C ATOM 0 H ALA A 30 22.787 26.287 9.640 1.00 0.00 H new ATOM 0 HA ALA A 30 21.563 28.263 7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.527 27.214 5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.799 27.960 6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.573 26.195 6.863 1.00 0.00 H new ATOM 473 N VAL A 31 20.074 26.378 6.853 1.00 0.00 N ATOM 474 CA VAL A 31 19.107 25.341 6.416 1.00 0.00 C ATOM 475 C VAL A 31 19.275 25.025 4.925 1.00 0.00 C ATOM 476 O VAL A 31 19.502 25.927 4.118 1.00 0.00 O ATOM 477 CB VAL A 31 17.643 25.733 6.751 1.00 0.00 C ATOM 478 CG1 VAL A 31 16.604 24.778 6.152 1.00 0.00 C ATOM 479 CG2 VAL A 31 17.411 25.734 8.266 1.00 0.00 C ATOM 0 H VAL A 31 20.010 27.235 6.303 1.00 0.00 H new ATOM 0 HA VAL A 31 19.328 24.434 6.978 1.00 0.00 H new ATOM 0 HB VAL A 31 17.514 26.725 6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.603 25.111 6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.700 24.770 5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.769 23.772 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.378 26.012 8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.607 24.739 8.665 1.00 0.00 H new ATOM 0 HG23 VAL A 31 18.082 26.452 8.736 1.00 0.00 H new ATOM 489 N ARG A 32 19.132 23.742 4.564 1.00 0.00 N ATOM 490 CA ARG A 32 19.116 23.200 3.191 1.00 0.00 C ATOM 491 C ARG A 32 17.743 22.602 2.851 1.00 0.00 C ATOM 492 O ARG A 32 17.077 22.050 3.731 1.00 0.00 O ATOM 493 CB ARG A 32 20.212 22.136 3.035 1.00 0.00 C ATOM 494 CG ARG A 32 21.627 22.728 3.160 1.00 0.00 C ATOM 495 CD ARG A 32 22.686 21.634 3.338 1.00 0.00 C ATOM 496 NE ARG A 32 22.862 20.801 2.136 1.00 0.00 N ATOM 497 CZ ARG A 32 23.593 19.710 2.036 1.00 0.00 C ATOM 498 NH1 ARG A 32 24.229 19.168 3.044 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 23.660 19.120 0.880 1.00 0.00 N ATOM 0 H ARG A 32 19.017 23.008 5.262 1.00 0.00 H new ATOM 0 HA ARG A 32 19.310 24.018 2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 32 20.076 21.364 3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.108 21.651 2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.856 23.315 2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.662 23.410 4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.639 22.097 3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.405 20.997 4.177 1.00 0.00 H new ATOM 0 HE ARG A 32 22.367 21.100 1.295 1.00 0.00 H new ATOM 0 HH11 ARG A 32 24.173 19.592 3.970 1.00 0.00 H new ATOM 0 HH12 ARG A 32 24.780 18.321 2.903 1.00 0.00 H new ATOM 0 HH21 ARG A 32 23.155 19.504 0.081 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.218 18.273 0.771 1.00 0.00 H new ATOM 513 N VAL A 33 17.339 22.702 1.587 1.00 0.00 N ATOM 514 CA VAL A 33 16.021 22.293 1.045 1.00 0.00 C ATOM 515 C VAL A 33 16.214 21.634 -0.322 1.00 0.00 C ATOM 516 O VAL A 33 16.962 22.168 -1.139 1.00 0.00 O ATOM 517 CB VAL A 33 15.103 23.533 0.892 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.729 23.171 0.317 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.863 24.276 2.210 1.00 0.00 C ATOM 0 H VAL A 33 17.946 23.090 0.865 1.00 0.00 H new ATOM 0 HA VAL A 33 15.557 21.586 1.732 1.00 0.00 H new ATOM 0 HB VAL A 33 15.646 24.182 0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.123 24.072 0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.854 22.720 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.232 22.463 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.213 25.133 2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.389 23.604 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.816 24.621 2.612 1.00 0.00 H new ATOM 529 N THR A 34 15.539 20.519 -0.626 1.00 0.00 N ATOM 530 CA THR A 34 15.595 19.872 -1.962 1.00 0.00 C ATOM 531 C THR A 34 14.222 19.404 -2.459 1.00 0.00 C ATOM 532 O THR A 34 13.450 18.799 -1.711 1.00 0.00 O ATOM 533 CB THR A 34 16.623 18.721 -1.999 1.00 0.00 C ATOM 534 OG1 THR A 34 17.914 19.189 -1.664 1.00 0.00 O ATOM 535 CG2 THR A 34 16.751 18.057 -3.371 1.00 0.00 C ATOM 0 H THR A 34 14.937 20.033 0.039 1.00 0.00 H new ATOM 0 HA THR A 34 15.930 20.644 -2.654 1.00 0.00 H new ATOM 0 HB THR A 34 16.248 17.994 -1.279 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.550 18.444 -1.692 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.491 17.258 -3.321 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.787 17.641 -3.665 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.066 18.798 -4.106 1.00 0.00 H new ATOM 543 N THR A 35 13.902 19.694 -3.725 1.00 0.00 N ATOM 544 CA THR A 35 12.628 19.363 -4.394 1.00 0.00 C ATOM 545 C THR A 35 12.621 17.974 -5.043 1.00 0.00 C ATOM 546 O THR A 35 13.663 17.336 -5.196 1.00 0.00 O ATOM 547 CB THR A 35 12.279 20.409 -5.467 1.00 0.00 C ATOM 548 OG1 THR A 35 13.168 20.311 -6.556 1.00 0.00 O ATOM 549 CG2 THR A 35 12.320 21.844 -4.943 1.00 0.00 C ATOM 0 H THR A 35 14.548 20.187 -4.342 1.00 0.00 H new ATOM 0 HA THR A 35 11.879 19.365 -3.602 1.00 0.00 H new ATOM 0 HB THR A 35 11.257 20.190 -5.776 1.00 0.00 H new ATOM 0 HG1 THR A 35 12.933 20.981 -7.231 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.065 22.533 -5.748 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.603 21.955 -4.129 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.322 22.069 -4.577 1.00 0.00 H new ATOM 557 N LEU A 36 11.443 17.506 -5.486 1.00 0.00 N ATOM 558 CA LEU A 36 11.307 16.271 -6.280 1.00 0.00 C ATOM 559 C LEU A 36 11.935 16.347 -7.688 1.00 0.00 C ATOM 560 O LEU A 36 12.126 15.315 -8.337 1.00 0.00 O ATOM 561 CB LEU A 36 9.829 15.822 -6.307 1.00 0.00 C ATOM 562 CG LEU A 36 8.824 16.713 -7.068 1.00 0.00 C ATOM 563 CD1 LEU A 36 8.791 16.455 -8.576 1.00 0.00 C ATOM 564 CD2 LEU A 36 7.418 16.424 -6.535 1.00 0.00 C ATOM 0 H LEU A 36 10.555 17.974 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 36 11.896 15.504 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.789 14.824 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.486 15.734 -5.276 1.00 0.00 H new ATOM 0 HG LEU A 36 9.142 17.743 -6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.062 17.118 -9.043 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.777 16.645 -8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.510 15.418 -8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.694 17.046 -7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.178 15.373 -6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.380 16.648 -5.469 1.00 0.00 H new ATOM 576 N PHE A 37 12.303 17.547 -8.144 1.00 0.00 N ATOM 577 CA PHE A 37 13.112 17.777 -9.350 1.00 0.00 C ATOM 578 C PHE A 37 14.629 17.643 -9.094 1.00 0.00 C ATOM 579 O PHE A 37 15.436 17.884 -9.993 1.00 0.00 O ATOM 580 CB PHE A 37 12.772 19.156 -9.938 1.00 0.00 C ATOM 581 CG PHE A 37 11.289 19.393 -10.157 1.00 0.00 C ATOM 582 CD1 PHE A 37 10.562 20.205 -9.261 1.00 0.00 C ATOM 583 CD2 PHE A 37 10.622 18.780 -11.238 1.00 0.00 C ATOM 584 CE1 PHE A 37 9.182 20.404 -9.450 1.00 0.00 C ATOM 585 CE2 PHE A 37 9.240 18.978 -11.423 1.00 0.00 C ATOM 586 CZ PHE A 37 8.518 19.783 -10.523 1.00 0.00 C ATOM 0 H PHE A 37 12.040 18.412 -7.673 1.00 0.00 H new ATOM 0 HA PHE A 37 12.861 16.998 -10.069 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.157 19.927 -9.271 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.291 19.270 -10.890 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.066 20.674 -8.429 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.173 18.156 -11.926 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.631 21.036 -8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.734 18.512 -12.256 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.456 19.924 -10.656 1.00 0.00 H new ATOM 596 N ASP A 38 15.035 17.280 -7.867 1.00 0.00 N ATOM 597 CA ASP A 38 16.417 17.243 -7.361 1.00 0.00 C ATOM 598 C ASP A 38 17.119 18.621 -7.317 1.00 0.00 C ATOM 599 O ASP A 38 18.345 18.702 -7.209 1.00 0.00 O ATOM 600 CB ASP A 38 17.260 16.148 -8.051 1.00 0.00 C ATOM 601 CG ASP A 38 16.600 14.759 -8.072 1.00 0.00 C ATOM 602 OD1 ASP A 38 15.931 14.366 -7.086 1.00 0.00 O ATOM 603 OD2 ASP A 38 16.798 14.019 -9.069 1.00 0.00 O1- ATOM 0 H ASP A 38 14.365 16.986 -7.157 1.00 0.00 H new ATOM 0 HA ASP A 38 16.333 16.958 -6.312 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.464 16.456 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.222 16.073 -7.543 1.00 0.00 H new ATOM 608 N GLU A 39 16.365 19.723 -7.380 1.00 0.00 N ATOM 609 CA GLU A 39 16.892 21.090 -7.252 1.00 0.00 C ATOM 610 C GLU A 39 17.118 21.439 -5.769 1.00 0.00 C ATOM 611 O GLU A 39 16.170 21.475 -4.979 1.00 0.00 O ATOM 612 CB GLU A 39 15.955 22.107 -7.921 1.00 0.00 C ATOM 613 CG GLU A 39 15.826 21.907 -9.444 1.00 0.00 C ATOM 614 CD GLU A 39 17.149 22.192 -10.183 1.00 0.00 C ATOM 615 OE1 GLU A 39 17.611 23.362 -10.182 1.00 0.00 O ATOM 616 OE2 GLU A 39 17.728 21.264 -10.801 1.00 0.00 O1- ATOM 0 H GLU A 39 15.356 19.692 -7.524 1.00 0.00 H new ATOM 0 HA GLU A 39 17.852 21.138 -7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.967 22.034 -7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.323 23.114 -7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.510 20.884 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.047 22.564 -9.830 1.00 0.00 H new ATOM 623 N GLU A 40 18.377 21.689 -5.397 1.00 0.00 N ATOM 624 CA GLU A 40 18.778 22.081 -4.040 1.00 0.00 C ATOM 625 C GLU A 40 18.804 23.613 -3.861 1.00 0.00 C ATOM 626 O GLU A 40 19.229 24.360 -4.748 1.00 0.00 O ATOM 627 CB GLU A 40 20.141 21.455 -3.700 1.00 0.00 C ATOM 628 CG GLU A 40 20.636 21.797 -2.286 1.00 0.00 C ATOM 629 CD GLU A 40 21.847 20.954 -1.842 1.00 0.00 C ATOM 630 OE1 GLU A 40 22.612 20.434 -2.692 1.00 0.00 O ATOM 631 OE2 GLU A 40 22.053 20.815 -0.613 1.00 0.00 O1- ATOM 0 H GLU A 40 19.163 21.623 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 40 18.030 21.702 -3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 40 20.070 20.372 -3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 40 20.879 21.794 -4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 40 20.904 22.853 -2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 40 19.821 21.650 -1.578 1.00 0.00 H new ATOM 638 N HIS A 41 18.400 24.068 -2.674 1.00 0.00 N ATOM 639 CA HIS A 41 18.427 25.459 -2.208 1.00 0.00 C ATOM 640 C HIS A 41 19.014 25.515 -0.785 1.00 0.00 C ATOM 641 O HIS A 41 18.831 24.578 -0.004 1.00 0.00 O ATOM 642 CB HIS A 41 17.007 26.043 -2.234 1.00 0.00 C ATOM 643 CG HIS A 41 16.244 25.820 -3.523 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.240 26.673 -4.633 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.470 24.729 -3.808 1.00 0.00 C ATOM 646 CE1 HIS A 41 15.459 26.076 -5.551 1.00 0.00 C ATOM 647 NE2 HIS A 41 14.980 24.912 -5.083 1.00 0.00 N ATOM 0 H HIS A 41 18.021 23.438 -1.967 1.00 0.00 H new ATOM 0 HA HIS A 41 19.057 26.055 -2.869 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.437 25.608 -1.413 1.00 0.00 H new ATOM 0 HB3 HIS A 41 17.068 27.115 -2.047 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.280 23.887 -3.159 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.246 26.478 -6.531 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.361 24.274 -5.584 1.00 0.00 H new ATOM 655 N ALA A 42 19.705 26.599 -0.433 1.00 0.00 N ATOM 656 CA ALA A 42 20.335 26.766 0.879 1.00 0.00 C ATOM 657 C ALA A 42 20.265 28.219 1.385 1.00 0.00 C ATOM 658 O ALA A 42 20.399 29.170 0.608 1.00 0.00 O ATOM 659 CB ALA A 42 21.775 26.245 0.817 1.00 0.00 C ATOM 0 H ALA A 42 19.845 27.394 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 42 19.778 26.178 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.248 26.367 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 42 21.769 25.189 0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.334 26.808 0.069 1.00 0.00 H new ATOM 665 N PHE A 43 20.061 28.378 2.698 1.00 0.00 N ATOM 666 CA PHE A 43 19.771 29.654 3.359 1.00 0.00 C ATOM 667 C PHE A 43 20.540 29.788 4.691 1.00 0.00 C ATOM 668 O PHE A 43 20.214 29.084 5.656 1.00 0.00 O ATOM 669 CB PHE A 43 18.254 29.766 3.584 1.00 0.00 C ATOM 670 CG PHE A 43 17.429 29.670 2.313 1.00 0.00 C ATOM 671 CD1 PHE A 43 16.883 28.439 1.913 1.00 0.00 C ATOM 672 CD2 PHE A 43 17.249 30.810 1.502 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.175 28.337 0.704 1.00 0.00 C ATOM 674 CE2 PHE A 43 16.540 30.706 0.290 1.00 0.00 C ATOM 675 CZ PHE A 43 16.000 29.474 -0.103 1.00 0.00 C ATOM 0 H PHE A 43 20.095 27.595 3.351 1.00 0.00 H new ATOM 0 HA PHE A 43 20.105 30.470 2.718 1.00 0.00 H new ATOM 0 HB2 PHE A 43 17.940 28.978 4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 43 18.039 30.716 4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 43 17.008 27.567 2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 43 17.655 31.762 1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 43 15.766 27.386 0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 43 16.412 31.576 -0.337 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.448 29.398 -1.028 1.00 0.00 H new ATOM 685 N PRO A 44 21.553 30.675 4.783 1.00 0.00 N ATOM 686 CA PRO A 44 22.307 30.899 6.017 1.00 0.00 C ATOM 687 C PRO A 44 21.493 31.678 7.062 1.00 0.00 C ATOM 688 O PRO A 44 20.656 32.522 6.733 1.00 0.00 O ATOM 689 CB PRO A 44 23.573 31.649 5.584 1.00 0.00 C ATOM 690 CG PRO A 44 23.108 32.448 4.367 1.00 0.00 C ATOM 691 CD PRO A 44 22.081 31.516 3.715 1.00 0.00 C ATOM 0 HA PRO A 44 22.552 29.960 6.513 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.945 32.300 6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 44 24.381 30.962 5.330 1.00 0.00 H new ATOM 0 HG2 PRO A 44 22.663 33.400 4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.934 32.673 3.692 1.00 0.00 H new ATOM 0 HD2 PRO A 44 21.284 32.088 3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.545 30.910 2.937 1.00 0.00 H new ATOM 699 N GLY A 45 21.771 31.406 8.336 1.00 0.00 N ATOM 700 CA GLY A 45 21.199 32.117 9.493 1.00 0.00 C ATOM 701 C GLY A 45 19.793 31.674 9.903 1.00 0.00 C ATOM 702 O GLY A 45 19.155 32.347 10.710 1.00 0.00 O ATOM 0 H GLY A 45 22.418 30.665 8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.866 31.986 10.345 1.00 0.00 H new ATOM 0 HA3 GLY A 45 21.175 33.183 9.268 1.00 0.00 H new ATOM 706 N LEU A 46 19.297 30.560 9.361 1.00 0.00 N ATOM 707 CA LEU A 46 17.991 29.979 9.684 1.00 0.00 C ATOM 708 C LEU A 46 18.107 28.654 10.463 1.00 0.00 C ATOM 709 O LEU A 46 19.152 27.996 10.468 1.00 0.00 O ATOM 710 CB LEU A 46 17.170 29.797 8.394 1.00 0.00 C ATOM 711 CG LEU A 46 16.907 31.079 7.583 1.00 0.00 C ATOM 712 CD1 LEU A 46 15.994 30.738 6.406 1.00 0.00 C ATOM 713 CD2 LEU A 46 16.203 32.169 8.388 1.00 0.00 C ATOM 0 H LEU A 46 19.809 30.020 8.663 1.00 0.00 H new ATOM 0 HA LEU A 46 17.473 30.674 10.345 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.688 29.084 7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.210 29.352 8.656 1.00 0.00 H new ATOM 0 HG LEU A 46 17.882 31.455 7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.800 31.638 5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.478 29.994 5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.052 30.338 6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.048 33.044 7.757 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.239 31.798 8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.818 32.443 9.245 1.00 0.00 H new ATOM 725 N ALA A 47 16.989 28.250 11.065 1.00 0.00 N ATOM 726 CA ALA A 47 16.704 26.920 11.609 1.00 0.00 C ATOM 727 C ALA A 47 15.262 26.504 11.262 1.00 0.00 C ATOM 728 O ALA A 47 14.424 27.348 10.917 1.00 0.00 O ATOM 729 CB ALA A 47 16.954 26.951 13.121 1.00 0.00 C ATOM 0 H ALA A 47 16.203 28.887 11.195 1.00 0.00 H new ATOM 0 HA ALA A 47 17.362 26.172 11.166 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.747 25.968 13.544 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.994 27.217 13.313 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.300 27.690 13.583 1.00 0.00 H new ATOM 735 N ILE A 48 14.949 25.209 11.345 1.00 0.00 N ATOM 736 CA ILE A 48 13.586 24.695 11.131 1.00 0.00 C ATOM 737 C ILE A 48 12.722 25.047 12.352 1.00 0.00 C ATOM 738 O ILE A 48 12.978 24.568 13.456 1.00 0.00 O ATOM 739 CB ILE A 48 13.577 23.175 10.840 1.00 0.00 C ATOM 740 CG1 ILE A 48 14.492 22.814 9.640 1.00 0.00 C ATOM 741 CG2 ILE A 48 12.126 22.712 10.575 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.693 21.301 9.465 1.00 0.00 C ATOM 0 H ILE A 48 15.631 24.483 11.563 1.00 0.00 H new ATOM 0 HA ILE A 48 13.165 25.171 10.245 1.00 0.00 H new ATOM 0 HB ILE A 48 13.973 22.656 11.713 1.00 0.00 H new ATOM 0 HG12 ILE A 48 14.061 23.225 8.727 1.00 0.00 H new ATOM 0 HG13 ILE A 48 15.463 23.290 9.776 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.117 21.642 10.370 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.512 22.918 11.452 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.724 23.249 9.716 1.00 0.00 H new ATOM 0 HD11 ILE A 48 15.342 21.117 8.609 1.00 0.00 H new ATOM 0 HD12 ILE A 48 15.152 20.889 10.364 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.728 20.823 9.298 1.00 0.00 H new ATOM 754 N GLY A 49 11.708 25.895 12.170 1.00 0.00 N ATOM 755 CA GLY A 49 10.832 26.374 13.244 1.00 0.00 C ATOM 756 C GLY A 49 9.615 25.482 13.469 1.00 0.00 C ATOM 757 O GLY A 49 9.388 25.006 14.582 1.00 0.00 O ATOM 0 H GLY A 49 11.467 26.276 11.255 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.404 26.438 14.170 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.496 27.383 13.007 1.00 0.00 H new ATOM 761 N ARG A 50 8.829 25.238 12.413 1.00 0.00 N ATOM 762 CA ARG A 50 7.573 24.473 12.474 1.00 0.00 C ATOM 763 C ARG A 50 7.365 23.626 11.216 1.00 0.00 C ATOM 764 O ARG A 50 7.756 24.029 10.118 1.00 0.00 O ATOM 765 CB ARG A 50 6.379 25.419 12.722 1.00 0.00 C ATOM 766 CG ARG A 50 6.474 26.167 14.061 1.00 0.00 C ATOM 767 CD ARG A 50 5.220 26.989 14.385 1.00 0.00 C ATOM 768 NE ARG A 50 5.283 27.521 15.759 1.00 0.00 N ATOM 769 CZ ARG A 50 4.460 28.389 16.317 1.00 0.00 C ATOM 770 NH1 ARG A 50 3.473 28.936 15.662 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 4.623 28.714 17.561 1.00 0.00 N ATOM 0 H ARG A 50 9.050 25.572 11.475 1.00 0.00 H new ATOM 0 HA ARG A 50 7.640 23.781 13.313 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.322 26.144 11.910 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.454 24.842 12.699 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.645 25.446 14.861 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.339 26.830 14.039 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.125 27.811 13.676 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.332 26.367 14.272 1.00 0.00 H new ATOM 0 HE ARG A 50 6.047 27.181 16.343 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.316 28.697 14.683 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.858 29.603 16.129 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.383 28.300 18.101 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.992 29.384 18.000 1.00 0.00 H new ATOM 785 N VAL A 51 6.729 22.464 11.381 1.00 0.00 N ATOM 786 CA VAL A 51 6.476 21.466 10.328 1.00 0.00 C ATOM 787 C VAL A 51 5.050 20.930 10.487 1.00 0.00 C ATOM 788 O VAL A 51 4.683 20.455 11.561 1.00 0.00 O ATOM 789 CB VAL A 51 7.503 20.316 10.410 1.00 0.00 C ATOM 790 CG1 VAL A 51 7.200 19.152 9.457 1.00 0.00 C ATOM 791 CG2 VAL A 51 8.943 20.784 10.161 1.00 0.00 C ATOM 0 H VAL A 51 6.359 22.177 12.287 1.00 0.00 H new ATOM 0 HA VAL A 51 6.582 21.934 9.349 1.00 0.00 H new ATOM 0 HB VAL A 51 7.410 19.959 11.436 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.963 18.382 9.570 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.222 18.732 9.695 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.199 19.514 8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.620 19.932 10.231 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.016 21.224 9.166 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.218 21.529 10.908 1.00 0.00 H new ATOM 801 N ASP A 52 4.244 20.979 9.428 1.00 0.00 N ATOM 802 CA ASP A 52 2.831 20.591 9.451 1.00 0.00 C ATOM 803 C ASP A 52 2.492 19.742 8.215 1.00 0.00 C ATOM 804 O ASP A 52 2.375 20.262 7.106 1.00 0.00 O ATOM 805 CB ASP A 52 1.999 21.875 9.566 1.00 0.00 C ATOM 806 CG ASP A 52 0.481 21.657 9.686 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.009 20.541 9.396 1.00 0.00 O ATOM 808 OD2 ASP A 52 -0.230 22.631 10.035 1.00 0.00 O1- ATOM 0 H ASP A 52 4.559 21.295 8.511 1.00 0.00 H new ATOM 0 HA ASP A 52 2.599 19.959 10.308 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.341 22.435 10.437 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.194 22.496 8.692 1.00 0.00 H new ATOM 813 N LEU A 53 2.365 18.424 8.408 1.00 0.00 N ATOM 814 CA LEU A 53 2.083 17.442 7.362 1.00 0.00 C ATOM 815 C LEU A 53 0.601 17.443 6.946 1.00 0.00 C ATOM 816 O LEU A 53 0.281 17.177 5.784 1.00 0.00 O ATOM 817 CB LEU A 53 2.486 16.028 7.835 1.00 0.00 C ATOM 818 CG LEU A 53 3.943 15.754 8.269 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.980 16.356 7.323 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.248 16.188 9.704 1.00 0.00 C ATOM 0 H LEU A 53 2.460 18.000 9.331 1.00 0.00 H new ATOM 0 HA LEU A 53 2.673 17.724 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.842 15.769 8.675 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.251 15.335 7.027 1.00 0.00 H new ATOM 0 HG LEU A 53 4.025 14.668 8.221 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.981 16.126 7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.851 15.935 6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.849 17.437 7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.289 15.965 9.938 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.075 17.260 9.805 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.597 15.650 10.393 1.00 0.00 H new ATOM 832 N ARG A 54 -0.311 17.779 7.870 1.00 0.00 N ATOM 833 CA ARG A 54 -1.753 17.936 7.608 1.00 0.00 C ATOM 834 C ARG A 54 -2.025 19.115 6.669 1.00 0.00 C ATOM 835 O ARG A 54 -2.826 18.985 5.741 1.00 0.00 O ATOM 836 CB ARG A 54 -2.488 18.037 8.962 1.00 0.00 C ATOM 837 CG ARG A 54 -3.955 18.487 8.840 1.00 0.00 C ATOM 838 CD ARG A 54 -4.793 18.185 10.091 1.00 0.00 C ATOM 839 NE ARG A 54 -4.222 18.740 11.337 1.00 0.00 N ATOM 840 CZ ARG A 54 -4.700 18.578 12.559 1.00 0.00 C ATOM 841 NH1 ARG A 54 -5.811 17.938 12.803 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -4.054 19.046 13.585 1.00 0.00 N ATOM 0 H ARG A 54 -0.063 17.954 8.844 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.141 17.065 7.080 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.455 17.066 9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.954 18.739 9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.983 19.559 8.643 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.408 17.993 7.980 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.796 18.587 9.951 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.894 17.105 10.198 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.376 19.303 11.245 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.349 17.538 12.034 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.142 17.838 13.763 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.173 19.542 13.450 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.428 18.918 14.525 1.00 0.00 H new ATOM 856 N SER A 55 -1.333 20.240 6.856 1.00 0.00 N ATOM 857 CA SER A 55 -1.356 21.401 5.949 1.00 0.00 C ATOM 858 C SER A 55 -0.450 21.225 4.716 1.00 0.00 C ATOM 859 O SER A 55 -0.768 21.704 3.625 1.00 0.00 O ATOM 860 CB SER A 55 -0.951 22.656 6.738 1.00 0.00 C ATOM 861 OG SER A 55 -1.082 23.827 5.957 1.00 0.00 O ATOM 0 H SER A 55 -0.723 20.378 7.662 1.00 0.00 H new ATOM 0 HA SER A 55 -2.371 21.501 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.572 22.742 7.630 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.081 22.557 7.076 1.00 0.00 H new ATOM 0 HG SER A 55 -0.818 24.606 6.489 1.00 0.00 H new ATOM 867 N GLY A 56 0.676 20.513 4.865 1.00 0.00 N ATOM 868 CA GLY A 56 1.715 20.336 3.843 1.00 0.00 C ATOM 869 C GLY A 56 2.711 21.499 3.758 1.00 0.00 C ATOM 870 O GLY A 56 3.170 21.823 2.661 1.00 0.00 O ATOM 0 H GLY A 56 0.895 20.026 5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.262 19.417 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.237 20.209 2.872 1.00 0.00 H new ATOM 874 N VAL A 57 3.008 22.166 4.883 1.00 0.00 N ATOM 875 CA VAL A 57 3.802 23.411 4.943 1.00 0.00 C ATOM 876 C VAL A 57 4.847 23.369 6.070 1.00 0.00 C ATOM 877 O VAL A 57 4.593 22.843 7.155 1.00 0.00 O ATOM 878 CB VAL A 57 2.899 24.660 5.068 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.701 25.966 4.960 1.00 0.00 C ATOM 880 CG2 VAL A 57 1.807 24.722 3.991 1.00 0.00 C ATOM 0 H VAL A 57 2.697 21.850 5.802 1.00 0.00 H new ATOM 0 HA VAL A 57 4.341 23.487 3.999 1.00 0.00 H new ATOM 0 HB VAL A 57 2.443 24.564 6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.026 26.816 5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.444 26.004 5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.203 26.006 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.207 25.621 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.270 24.746 3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.168 23.843 4.070 1.00 0.00 H new ATOM 890 N ILE A 58 6.026 23.934 5.803 1.00 0.00 N ATOM 891 CA ILE A 58 7.191 24.028 6.692 1.00 0.00 C ATOM 892 C ILE A 58 7.621 25.501 6.793 1.00 0.00 C ATOM 893 O ILE A 58 7.782 26.173 5.770 1.00 0.00 O ATOM 894 CB ILE A 58 8.337 23.140 6.157 1.00 0.00 C ATOM 895 CG1 ILE A 58 7.931 21.646 6.172 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.632 23.365 6.965 1.00 0.00 C ATOM 897 CD1 ILE A 58 8.844 20.753 5.325 1.00 0.00 C ATOM 0 H ILE A 58 6.207 24.369 4.898 1.00 0.00 H new ATOM 0 HA ILE A 58 6.935 23.669 7.689 1.00 0.00 H new ATOM 0 HB ILE A 58 8.530 23.427 5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.938 21.287 7.201 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.907 21.553 5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.423 22.729 6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.933 24.410 6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.456 23.116 8.011 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.499 19.721 5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.818 21.086 4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.865 20.816 5.701 1.00 0.00 H new ATOM 909 N SER A 59 7.847 25.992 8.013 1.00 0.00 N ATOM 910 CA SER A 59 8.217 27.383 8.293 1.00 0.00 C ATOM 911 C SER A 59 9.588 27.468 8.963 1.00 0.00 C ATOM 912 O SER A 59 9.806 26.870 10.024 1.00 0.00 O ATOM 913 CB SER A 59 7.161 28.064 9.174 1.00 0.00 C ATOM 914 OG SER A 59 5.882 28.042 8.561 1.00 0.00 O ATOM 0 H SER A 59 7.776 25.420 8.855 1.00 0.00 H new ATOM 0 HA SER A 59 8.267 27.905 7.338 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.112 27.561 10.140 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.456 29.096 9.366 1.00 0.00 H new ATOM 0 HG SER A 59 5.231 28.481 9.147 1.00 0.00 H new ATOM 920 N LEU A 60 10.505 28.224 8.359 1.00 0.00 N ATOM 921 CA LEU A 60 11.846 28.492 8.897 1.00 0.00 C ATOM 922 C LEU A 60 11.871 29.770 9.751 1.00 0.00 C ATOM 923 O LEU A 60 11.087 30.695 9.524 1.00 0.00 O ATOM 924 CB LEU A 60 12.876 28.557 7.755 1.00 0.00 C ATOM 925 CG LEU A 60 12.875 27.360 6.784 1.00 0.00 C ATOM 926 CD1 LEU A 60 14.020 27.517 5.783 1.00 0.00 C ATOM 927 CD2 LEU A 60 13.047 26.018 7.496 1.00 0.00 C ATOM 0 H LEU A 60 10.336 28.679 7.462 1.00 0.00 H new ATOM 0 HA LEU A 60 12.117 27.667 9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.698 29.467 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.871 28.646 8.192 1.00 0.00 H new ATOM 0 HG LEU A 60 11.905 27.358 6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.021 26.671 5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.888 28.441 5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.969 27.550 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.038 25.213 6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.996 26.010 8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.229 25.873 8.202 1.00 0.00 H new ATOM 939 N ILE A 61 12.793 29.830 10.712 1.00 0.00 N ATOM 940 CA ILE A 61 12.964 30.935 11.675 1.00 0.00 C ATOM 941 C ILE A 61 14.433 31.338 11.823 1.00 0.00 C ATOM 942 O ILE A 61 15.330 30.559 11.500 1.00 0.00 O ATOM 943 CB ILE A 61 12.336 30.599 13.052 1.00 0.00 C ATOM 944 CG1 ILE A 61 13.023 29.413 13.769 1.00 0.00 C ATOM 945 CG2 ILE A 61 10.820 30.370 12.915 1.00 0.00 C ATOM 946 CD1 ILE A 61 13.996 29.843 14.870 1.00 0.00 C ATOM 0 H ILE A 61 13.473 29.083 10.852 1.00 0.00 H new ATOM 0 HA ILE A 61 12.428 31.793 11.269 1.00 0.00 H new ATOM 0 HB ILE A 61 12.504 31.467 13.690 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.258 28.769 14.203 1.00 0.00 H new ATOM 0 HG13 ILE A 61 13.561 28.817 13.032 1.00 0.00 H new ATOM 0 HG21 ILE A 61 10.398 30.135 13.892 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.350 31.272 12.523 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.638 29.540 12.232 1.00 0.00 H new ATOM 0 HD11 ILE A 61 14.440 28.959 15.329 1.00 0.00 H new ATOM 0 HD12 ILE A 61 14.783 30.462 14.439 1.00 0.00 H new ATOM 0 HD13 ILE A 61 13.459 30.414 15.627 1.00 0.00 H new ATOM 958 N GLU A 62 14.688 32.554 12.302 1.00 0.00 N ATOM 959 CA GLU A 62 16.046 33.101 12.464 1.00 0.00 C ATOM 960 C GLU A 62 16.801 32.414 13.613 1.00 0.00 C ATOM 961 O GLU A 62 16.401 32.497 14.781 1.00 0.00 O ATOM 962 CB GLU A 62 16.000 34.622 12.708 1.00 0.00 C ATOM 963 CG GLU A 62 15.409 35.400 11.520 1.00 0.00 C ATOM 964 CD GLU A 62 15.285 36.907 11.826 1.00 0.00 C ATOM 965 OE1 GLU A 62 16.239 37.518 12.372 1.00 0.00 O ATOM 966 OE2 GLU A 62 14.225 37.503 11.506 1.00 0.00 O1- ATOM 0 H GLU A 62 13.954 33.199 12.594 1.00 0.00 H new ATOM 0 HA GLU A 62 16.583 32.904 11.536 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.407 34.824 13.600 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.009 34.984 12.907 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.040 35.258 10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.426 34.997 11.274 1.00 0.00 H new ATOM 973 N GLU A 63 17.918 31.758 13.294 1.00 0.00 N ATOM 974 CA GLU A 63 18.812 31.129 14.274 1.00 0.00 C ATOM 975 C GLU A 63 19.571 32.188 15.101 1.00 0.00 C ATOM 976 O GLU A 63 20.141 33.138 14.557 1.00 0.00 O ATOM 977 CB GLU A 63 19.747 30.151 13.547 1.00 0.00 C ATOM 978 CG GLU A 63 20.808 29.506 14.448 1.00 0.00 C ATOM 979 CD GLU A 63 22.133 30.290 14.432 1.00 0.00 C ATOM 980 OE1 GLU A 63 22.536 30.826 15.485 1.00 0.00 O ATOM 981 OE2 GLU A 63 22.783 30.367 13.361 1.00 0.00 O1- ATOM 0 H GLU A 63 18.234 31.646 12.331 1.00 0.00 H new ATOM 0 HA GLU A 63 18.226 30.559 14.995 1.00 0.00 H new ATOM 0 HB2 GLU A 63 19.147 29.364 13.091 1.00 0.00 H new ATOM 0 HB3 GLU A 63 20.248 30.680 12.736 1.00 0.00 H new ATOM 0 HG2 GLU A 63 20.431 29.451 15.469 1.00 0.00 H new ATOM 0 HG3 GLU A 63 20.989 28.482 14.120 1.00 0.00 H new ATOM 988 N GLN A 64 19.562 32.022 16.427 1.00 0.00 N ATOM 989 CA GLN A 64 20.068 32.989 17.422 1.00 0.00 C ATOM 990 C GLN A 64 21.012 32.332 18.465 1.00 0.00 C ATOM 991 O GLN A 64 21.193 32.839 19.574 1.00 0.00 O ATOM 992 CB GLN A 64 18.877 33.709 18.088 1.00 0.00 C ATOM 993 CG GLN A 64 18.065 34.604 17.134 1.00 0.00 C ATOM 994 CD GLN A 64 16.632 34.808 17.628 1.00 0.00 C ATOM 995 OE1 GLN A 64 16.362 35.557 18.562 1.00 0.00 O ATOM 996 NE2 GLN A 64 15.657 34.158 17.027 1.00 0.00 N ATOM 0 H GLN A 64 19.188 31.178 16.860 1.00 0.00 H new ATOM 0 HA GLN A 64 20.680 33.727 16.903 1.00 0.00 H new ATOM 0 HB2 GLN A 64 18.212 32.962 18.521 1.00 0.00 H new ATOM 0 HB3 GLN A 64 19.250 34.319 18.911 1.00 0.00 H new ATOM 0 HG2 GLN A 64 18.557 35.572 17.037 1.00 0.00 H new ATOM 0 HG3 GLN A 64 18.047 34.154 16.141 1.00 0.00 H new ATOM 0 HE21 GLN A 64 15.865 33.532 16.249 1.00 0.00 H new ATOM 0 HE22 GLN A 64 14.694 34.281 17.339 1.00 0.00 H new ATOM 1005 N ASN A 65 21.594 31.174 18.134 1.00 0.00 N ATOM 1006 CA ASN A 65 22.543 30.429 18.950 1.00 0.00 C ATOM 1007 C ASN A 65 23.968 31.016 18.860 1.00 0.00 C ATOM 1008 O ASN A 65 24.731 30.938 19.827 1.00 0.00 O ATOM 1009 CB ASN A 65 22.517 28.979 18.436 1.00 0.00 C ATOM 1010 CG ASN A 65 21.210 28.236 18.655 1.00 0.00 C ATOM 1011 OD1 ASN A 65 20.202 28.777 19.085 1.00 0.00 O ATOM 1012 ND2 ASN A 65 21.190 26.960 18.369 1.00 0.00 N ATOM 0 H ASN A 65 21.402 30.713 17.244 1.00 0.00 H new ATOM 0 HA ASN A 65 22.262 30.485 20.002 1.00 0.00 H new ATOM 0 HB2 ASN A 65 22.738 28.985 17.369 1.00 0.00 H new ATOM 0 HB3 ASN A 65 23.318 28.423 18.924 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.335 26.420 18.505 1.00 0.00 H new ATOM 0 HD22 ASN A 65 22.029 26.505 18.010 1.00 0.00 H new ATOM 1019 N ARG A 66 24.316 31.604 17.706 1.00 0.00 N ATOM 1020 CA ARG A 66 25.589 32.298 17.434 1.00 0.00 C ATOM 1021 C ARG A 66 25.845 33.521 18.338 1.00 0.00 C ATOM 1022 O ARG A 66 24.882 34.234 18.697 1.00 0.00 O ATOM 1023 CB ARG A 66 25.669 32.643 15.931 1.00 0.00 C ATOM 1024 CG ARG A 66 24.629 33.677 15.449 1.00 0.00 C ATOM 1025 CD ARG A 66 24.745 33.950 13.943 1.00 0.00 C ATOM 1026 NE ARG A 66 24.390 32.777 13.130 1.00 0.00 N ATOM 1027 CZ ARG A 66 24.701 32.534 11.879 1.00 0.00 C ATOM 1028 NH1 ARG A 66 25.390 33.353 11.134 1.00 0.00 N1+ ATOM 1029 NH2 ARG A 66 24.303 31.425 11.352 1.00 0.00 N ATOM 1030 OXT ARG A 66 27.027 33.765 18.669 1.00 0.00 O1- ATOM 0 H ARG A 66 23.692 31.611 16.899 1.00 0.00 H new ATOM 0 HA ARG A 66 26.398 31.613 17.688 1.00 0.00 H new ATOM 0 HB2 ARG A 66 26.667 33.023 15.712 1.00 0.00 H new ATOM 0 HB3 ARG A 66 25.544 31.726 15.355 1.00 0.00 H new ATOM 0 HG2 ARG A 66 23.626 33.315 15.676 1.00 0.00 H new ATOM 0 HG3 ARG A 66 24.763 34.609 15.998 1.00 0.00 H new ATOM 0 HD2 ARG A 66 24.095 34.783 13.677 1.00 0.00 H new ATOM 0 HD3 ARG A 66 25.765 34.255 13.710 1.00 0.00 H new ATOM 0 HE ARG A 66 23.832 32.063 13.598 1.00 0.00 H new ATOM 0 HH11 ARG A 66 25.718 34.239 11.519 1.00 0.00 H new ATOM 0 HH12 ARG A 66 25.601 33.108 10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 66 23.760 30.763 11.906 1.00 0.00 H new ATOM 0 HH22 ARG A 66 24.531 31.211 10.381 1.00 0.00 H new TER 1044 ARG A 66 ATOM 1045 N GLY B -3 -7.960 10.212 3.458 1.00 0.00 N ATOM 1046 CA GLY B -3 -6.775 9.341 3.617 1.00 0.00 C ATOM 1047 C GLY B -3 -5.536 9.935 2.951 1.00 0.00 C ATOM 1048 O GLY B -3 -5.443 11.163 2.841 1.00 0.00 O ATOM 0 H1 GLY B -3 -8.506 10.220 4.343 1.00 0.00 H new ATOM 0 H2 GLY B -3 -7.652 11.179 3.233 1.00 0.00 H new ATOM 0 H3 GLY B -3 -8.556 9.850 2.686 1.00 0.00 H new ATOM 0 HA2 GLY B -3 -6.578 9.187 4.678 1.00 0.00 H new ATOM 0 HA3 GLY B -3 -6.984 8.362 3.186 1.00 0.00 H new ATOM 1054 N PRO B -2 -4.577 9.106 2.486 1.00 0.00 N ATOM 1055 CA PRO B -2 -3.294 9.562 1.923 1.00 0.00 C ATOM 1056 C PRO B -2 -3.393 10.469 0.681 1.00 0.00 C ATOM 1057 O PRO B -2 -2.475 11.244 0.405 1.00 0.00 O ATOM 1058 CB PRO B -2 -2.518 8.281 1.587 1.00 0.00 C ATOM 1059 CG PRO B -2 -3.074 7.269 2.584 1.00 0.00 C ATOM 1060 CD PRO B -2 -4.546 7.659 2.657 1.00 0.00 C ATOM 0 HA PRO B -2 -2.802 10.198 2.659 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -2.686 7.966 0.557 1.00 0.00 H new ATOM 0 HB3 PRO B -2 -1.443 8.417 1.708 1.00 0.00 H new ATOM 0 HG2 PRO B -2 -2.942 6.244 2.239 1.00 0.00 H new ATOM 0 HG3 PRO B -2 -2.585 7.344 3.555 1.00 0.00 H new ATOM 0 HD2 PRO B -2 -5.123 7.160 1.878 1.00 0.00 H new ATOM 0 HD3 PRO B -2 -4.982 7.368 3.613 1.00 0.00 H new ATOM 1068 N GLY B -1 -4.511 10.418 -0.054 1.00 0.00 N ATOM 1069 CA GLY B -1 -4.825 11.328 -1.169 1.00 0.00 C ATOM 1070 C GLY B -1 -5.220 12.754 -0.743 1.00 0.00 C ATOM 1071 O GLY B -1 -5.312 13.639 -1.601 1.00 0.00 O ATOM 0 H GLY B -1 -5.242 9.726 0.112 1.00 0.00 H new ATOM 0 HA2 GLY B -1 -3.958 11.387 -1.827 1.00 0.00 H new ATOM 0 HA3 GLY B -1 -5.640 10.899 -1.752 1.00 0.00 H new ATOM 1075 N SER B 0 -5.455 12.993 0.555 1.00 0.00 N ATOM 1076 CA SER B 0 -5.972 14.260 1.113 1.00 0.00 C ATOM 1077 C SER B 0 -5.098 14.862 2.227 1.00 0.00 C ATOM 1078 O SER B 0 -5.267 16.036 2.570 1.00 0.00 O ATOM 1079 CB SER B 0 -7.397 14.055 1.653 1.00 0.00 C ATOM 1080 OG SER B 0 -8.252 13.438 0.698 1.00 0.00 O ATOM 0 H SER B 0 -5.286 12.289 1.273 1.00 0.00 H new ATOM 0 HA SER B 0 -5.961 14.970 0.286 1.00 0.00 H new ATOM 0 HB2 SER B 0 -7.358 13.441 2.553 1.00 0.00 H new ATOM 0 HB3 SER B 0 -7.815 15.019 1.943 1.00 0.00 H new ATOM 0 HG SER B 0 -9.146 13.326 1.084 1.00 0.00 H new ATOM 1086 N MET B 1 -4.174 14.087 2.806 1.00 0.00 N ATOM 1087 CA MET B 1 -3.283 14.491 3.907 1.00 0.00 C ATOM 1088 C MET B 1 -1.970 13.686 3.919 1.00 0.00 C ATOM 1089 O MET B 1 -1.894 12.592 3.357 1.00 0.00 O ATOM 1090 CB MET B 1 -4.002 14.340 5.260 1.00 0.00 C ATOM 1091 CG MET B 1 -4.506 12.914 5.534 1.00 0.00 C ATOM 1092 SD MET B 1 -4.829 12.507 7.271 1.00 0.00 S ATOM 1093 CE MET B 1 -3.127 12.359 7.882 1.00 0.00 C ATOM 0 H MET B 1 -4.018 13.123 2.511 1.00 0.00 H new ATOM 0 HA MET B 1 -3.026 15.538 3.744 1.00 0.00 H new ATOM 0 HB2 MET B 1 -3.321 14.635 6.058 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.847 15.027 5.291 1.00 0.00 H new ATOM 0 HG2 MET B 1 -5.425 12.759 4.968 1.00 0.00 H new ATOM 0 HG3 MET B 1 -3.770 12.209 5.147 1.00 0.00 H new ATOM 0 HE1 MET B 1 -3.137 11.939 8.888 1.00 0.00 H new ATOM 0 HE2 MET B 1 -2.559 11.704 7.221 1.00 0.00 H new ATOM 0 HE3 MET B 1 -2.661 13.344 7.904 1.00 0.00 H new ATOM 1103 N CYS B 2 -0.959 14.202 4.624 1.00 0.00 N ATOM 1104 CA CYS B 2 0.266 13.489 4.992 1.00 0.00 C ATOM 1105 C CYS B 2 0.392 13.371 6.527 1.00 0.00 C ATOM 1106 O CYS B 2 -0.170 14.177 7.273 1.00 0.00 O ATOM 1107 CB CYS B 2 1.473 14.211 4.372 1.00 0.00 C ATOM 1108 SG CYS B 2 3.069 13.378 4.614 1.00 0.00 S ATOM 0 H CYS B 2 -0.972 15.163 4.966 1.00 0.00 H new ATOM 0 HA CYS B 2 0.231 12.472 4.600 1.00 0.00 H new ATOM 0 HB2 CYS B 2 1.299 14.327 3.302 1.00 0.00 H new ATOM 0 HB3 CYS B 2 1.535 15.214 4.795 1.00 0.00 H new ATOM 1113 N MET B 3 1.166 12.388 6.994 1.00 0.00 N ATOM 1114 CA MET B 3 1.636 12.255 8.383 1.00 0.00 C ATOM 1115 C MET B 3 2.995 11.536 8.426 1.00 0.00 C ATOM 1116 O MET B 3 3.339 10.792 7.500 1.00 0.00 O ATOM 1117 CB MET B 3 0.568 11.551 9.242 1.00 0.00 C ATOM 1118 CG MET B 3 0.315 10.085 8.875 1.00 0.00 C ATOM 1119 SD MET B 3 -1.078 9.370 9.786 1.00 0.00 S ATOM 1120 CE MET B 3 -0.986 7.668 9.161 1.00 0.00 C ATOM 0 H MET B 3 1.497 11.632 6.395 1.00 0.00 H new ATOM 0 HA MET B 3 1.789 13.247 8.809 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.871 11.602 10.288 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.369 12.100 9.154 1.00 0.00 H new ATOM 0 HG2 MET B 3 0.121 10.010 7.805 1.00 0.00 H new ATOM 0 HG3 MET B 3 1.214 9.503 9.078 1.00 0.00 H new ATOM 0 HE1 MET B 3 -1.776 7.070 9.616 1.00 0.00 H new ATOM 0 HE2 MET B 3 -1.111 7.671 8.078 1.00 0.00 H new ATOM 0 HE3 MET B 3 -0.016 7.240 9.414 1.00 0.00 H new ATOM 1130 N ALA B 4 3.772 11.771 9.484 1.00 0.00 N ATOM 1131 CA ALA B 4 5.163 11.323 9.621 1.00 0.00 C ATOM 1132 C ALA B 4 5.429 10.591 10.951 1.00 0.00 C ATOM 1133 O ALA B 4 4.583 10.572 11.843 1.00 0.00 O ATOM 1134 CB ALA B 4 6.061 12.555 9.454 1.00 0.00 C ATOM 0 H ALA B 4 3.443 12.294 10.295 1.00 0.00 H new ATOM 0 HA ALA B 4 5.384 10.584 8.851 1.00 0.00 H new ATOM 0 HB1 ALA B 4 7.106 12.259 9.550 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.897 12.994 8.470 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.819 13.288 10.223 1.00 0.00 H new ATOM 1140 N LYS B 5 6.624 10.007 11.096 1.00 0.00 N ATOM 1141 CA LYS B 5 7.163 9.510 12.379 1.00 0.00 C ATOM 1142 C LYS B 5 8.274 10.426 12.901 1.00 0.00 C ATOM 1143 O LYS B 5 9.153 10.826 12.142 1.00 0.00 O ATOM 1144 CB LYS B 5 7.579 8.034 12.269 1.00 0.00 C ATOM 1145 CG LYS B 5 8.816 7.786 11.385 1.00 0.00 C ATOM 1146 CD LYS B 5 9.091 6.296 11.127 1.00 0.00 C ATOM 1147 CE LYS B 5 8.060 5.701 10.161 1.00 0.00 C ATOM 1148 NZ LYS B 5 8.338 4.270 9.889 1.00 0.00 N1+ ATOM 0 H LYS B 5 7.261 9.861 10.312 1.00 0.00 H new ATOM 0 HA LYS B 5 6.373 9.542 13.129 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.779 7.650 13.269 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.742 7.462 11.870 1.00 0.00 H new ATOM 0 HG2 LYS B 5 8.679 8.294 10.430 1.00 0.00 H new ATOM 0 HG3 LYS B 5 9.689 8.232 11.861 1.00 0.00 H new ATOM 0 HD2 LYS B 5 10.092 6.175 10.714 1.00 0.00 H new ATOM 0 HD3 LYS B 5 9.067 5.750 12.070 1.00 0.00 H new ATOM 0 HE2 LYS B 5 7.061 5.805 10.583 1.00 0.00 H new ATOM 0 HE3 LYS B 5 8.071 6.260 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 7.623 3.896 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.282 4.175 9.464 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 8.304 3.734 10.780 1.00 0.00 H new ATOM 1162 N VAL B 6 8.237 10.765 14.187 1.00 0.00 N ATOM 1163 CA VAL B 6 9.256 11.569 14.887 1.00 0.00 C ATOM 1164 C VAL B 6 10.204 10.650 15.662 1.00 0.00 C ATOM 1165 O VAL B 6 9.744 9.702 16.301 1.00 0.00 O ATOM 1166 CB VAL B 6 8.589 12.588 15.836 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.597 13.389 16.680 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.754 13.604 15.059 1.00 0.00 C ATOM 0 H VAL B 6 7.472 10.481 14.799 1.00 0.00 H new ATOM 0 HA VAL B 6 9.833 12.125 14.147 1.00 0.00 H new ATOM 0 HB VAL B 6 7.968 11.984 16.497 1.00 0.00 H new ATOM 0 HG11 VAL B 6 9.060 14.086 17.324 1.00 0.00 H new ATOM 0 HG12 VAL B 6 10.182 12.705 17.294 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.264 13.945 16.020 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.297 14.308 15.755 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.395 14.146 14.363 1.00 0.00 H new ATOM 0 HG23 VAL B 6 6.973 13.085 14.504 1.00 0.00 H new ATOM 1178 N VAL B 7 11.508 10.945 15.644 1.00 0.00 N ATOM 1179 CA VAL B 7 12.519 10.302 16.507 1.00 0.00 C ATOM 1180 C VAL B 7 13.350 11.336 17.280 1.00 0.00 C ATOM 1181 O VAL B 7 13.724 12.385 16.745 1.00 0.00 O ATOM 1182 CB VAL B 7 13.384 9.294 15.718 1.00 0.00 C ATOM 1183 CG1 VAL B 7 14.231 9.935 14.615 1.00 0.00 C ATOM 1184 CG2 VAL B 7 14.338 8.511 16.637 1.00 0.00 C ATOM 0 H VAL B 7 11.903 11.649 15.020 1.00 0.00 H new ATOM 0 HA VAL B 7 11.988 9.720 17.261 1.00 0.00 H new ATOM 0 HB VAL B 7 12.656 8.626 15.258 1.00 0.00 H new ATOM 0 HG11 VAL B 7 14.810 9.164 14.106 1.00 0.00 H new ATOM 0 HG12 VAL B 7 13.578 10.431 13.897 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.909 10.666 15.055 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.927 7.814 16.041 1.00 0.00 H new ATOM 0 HG22 VAL B 7 15.005 9.206 17.146 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.759 7.957 17.376 1.00 0.00 H new ATOM 1194 N LEU B 8 13.625 11.032 18.552 1.00 0.00 N ATOM 1195 CA LEU B 8 14.407 11.844 19.497 1.00 0.00 C ATOM 1196 C LEU B 8 15.100 10.957 20.544 1.00 0.00 C ATOM 1197 O LEU B 8 14.722 9.799 20.723 1.00 0.00 O ATOM 1198 CB LEU B 8 13.475 12.896 20.138 1.00 0.00 C ATOM 1199 CG LEU B 8 12.379 12.343 21.078 1.00 0.00 C ATOM 1200 CD1 LEU B 8 12.818 12.324 22.548 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.124 13.205 21.012 1.00 0.00 C ATOM 0 H LEU B 8 13.291 10.166 18.976 1.00 0.00 H new ATOM 0 HA LEU B 8 15.204 12.366 18.968 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.087 13.601 20.700 1.00 0.00 H new ATOM 0 HB3 LEU B 8 12.992 13.460 19.340 1.00 0.00 H new ATOM 0 HG LEU B 8 12.188 11.326 20.735 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.011 11.927 23.164 1.00 0.00 H new ATOM 0 HD12 LEU B 8 13.701 11.694 22.656 1.00 0.00 H new ATOM 0 HD13 LEU B 8 13.055 13.338 22.870 1.00 0.00 H new ATOM 0 HD21 LEU B 8 10.367 12.797 21.681 1.00 0.00 H new ATOM 0 HD22 LEU B 8 11.366 14.224 21.316 1.00 0.00 H new ATOM 0 HD23 LEU B 8 10.741 13.212 19.992 1.00 0.00 H new ATOM 1213 N THR B 9 16.082 11.506 21.268 1.00 0.00 N ATOM 1214 CA THR B 9 16.776 10.818 22.370 1.00 0.00 C ATOM 1215 C THR B 9 16.882 11.728 23.601 1.00 0.00 C ATOM 1216 O THR B 9 17.261 12.897 23.489 1.00 0.00 O ATOM 1217 CB THR B 9 18.160 10.293 21.934 1.00 0.00 C ATOM 1218 OG1 THR B 9 18.082 9.571 20.718 1.00 0.00 O ATOM 1219 CG2 THR B 9 18.789 9.336 22.946 1.00 0.00 C ATOM 0 H THR B 9 16.424 12.453 21.105 1.00 0.00 H new ATOM 0 HA THR B 9 16.179 9.949 22.646 1.00 0.00 H new ATOM 0 HB THR B 9 18.770 11.191 21.837 1.00 0.00 H new ATOM 0 HG1 THR B 9 18.975 9.253 20.468 1.00 0.00 H new ATOM 0 HG21 THR B 9 19.760 9.004 22.578 1.00 0.00 H new ATOM 0 HG22 THR B 9 18.918 9.848 23.900 1.00 0.00 H new ATOM 0 HG23 THR B 9 18.139 8.472 23.083 1.00 0.00 H new ATOM 1227 N LYS B 10 16.535 11.192 24.778 1.00 0.00 N ATOM 1228 CA LYS B 10 16.575 11.888 26.080 1.00 0.00 C ATOM 1229 C LYS B 10 18.007 12.184 26.542 1.00 0.00 C ATOM 1230 O LYS B 10 18.962 11.520 26.129 1.00 0.00 O ATOM 1231 CB LYS B 10 15.874 11.028 27.148 1.00 0.00 C ATOM 1232 CG LYS B 10 14.385 10.773 26.864 1.00 0.00 C ATOM 1233 CD LYS B 10 13.783 9.916 27.985 1.00 0.00 C ATOM 1234 CE LYS B 10 12.379 9.445 27.600 1.00 0.00 C ATOM 1235 NZ LYS B 10 11.728 8.696 28.701 1.00 0.00 N1+ ATOM 0 H LYS B 10 16.207 10.230 24.858 1.00 0.00 H new ATOM 0 HA LYS B 10 16.061 12.841 25.951 1.00 0.00 H new ATOM 0 HB2 LYS B 10 16.388 10.070 27.224 1.00 0.00 H new ATOM 0 HB3 LYS B 10 15.970 11.519 28.116 1.00 0.00 H new ATOM 0 HG2 LYS B 10 13.851 11.721 26.791 1.00 0.00 H new ATOM 0 HG3 LYS B 10 14.269 10.268 25.905 1.00 0.00 H new ATOM 0 HD2 LYS B 10 14.423 9.055 28.177 1.00 0.00 H new ATOM 0 HD3 LYS B 10 13.740 10.493 28.909 1.00 0.00 H new ATOM 0 HE2 LYS B 10 11.767 10.307 27.335 1.00 0.00 H new ATOM 0 HE3 LYS B 10 12.438 8.812 26.715 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 10.779 8.394 28.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 12.299 7.860 28.937 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 11.648 9.308 29.538 1.00 0.00 H new ATOM 1249 N ALA B 11 18.133 13.090 27.506 1.00 0.00 N ATOM 1250 CA ALA B 11 19.373 13.334 28.255 1.00 0.00 C ATOM 1251 C ALA B 11 19.824 12.105 29.077 1.00 0.00 C ATOM 1252 O ALA B 11 21.016 11.899 29.316 1.00 0.00 O ATOM 1253 CB ALA B 11 19.142 14.547 29.159 1.00 0.00 C ATOM 0 H ALA B 11 17.363 13.691 27.799 1.00 0.00 H new ATOM 0 HA ALA B 11 20.182 13.528 27.550 1.00 0.00 H new ATOM 0 HB1 ALA B 11 20.048 14.753 29.729 1.00 0.00 H new ATOM 0 HB2 ALA B 11 18.893 15.414 28.548 1.00 0.00 H new ATOM 0 HB3 ALA B 11 18.321 14.339 29.845 1.00 0.00 H new ATOM 1259 N ASP B 12 18.869 11.246 29.461 1.00 0.00 N ATOM 1260 CA ASP B 12 19.085 9.942 30.096 1.00 0.00 C ATOM 1261 C ASP B 12 19.638 8.859 29.144 1.00 0.00 C ATOM 1262 O ASP B 12 19.990 7.759 29.576 1.00 0.00 O ATOM 1263 CB ASP B 12 17.747 9.487 30.698 1.00 0.00 C ATOM 1264 CG ASP B 12 17.174 10.404 31.799 1.00 0.00 C ATOM 1265 OD1 ASP B 12 15.941 10.353 32.027 1.00 0.00 O ATOM 1266 OD2 ASP B 12 17.937 11.140 32.470 1.00 0.00 O1- ATOM 0 H ASP B 12 17.879 11.453 29.330 1.00 0.00 H new ATOM 0 HA ASP B 12 19.852 10.068 30.860 1.00 0.00 H new ATOM 0 HB2 ASP B 12 17.014 9.409 29.895 1.00 0.00 H new ATOM 0 HB3 ASP B 12 17.875 8.487 31.111 1.00 0.00 H new ATOM 1271 N GLY B 13 19.714 9.156 27.837 1.00 0.00 N ATOM 1272 CA GLY B 13 20.168 8.241 26.776 1.00 0.00 C ATOM 1273 C GLY B 13 19.074 7.322 26.207 1.00 0.00 C ATOM 1274 O GLY B 13 19.376 6.436 25.403 1.00 0.00 O ATOM 0 H GLY B 13 19.452 10.073 27.476 1.00 0.00 H new ATOM 0 HA2 GLY B 13 20.587 8.831 25.961 1.00 0.00 H new ATOM 0 HA3 GLY B 13 20.975 7.622 27.169 1.00 0.00 H new ATOM 1278 N GLY B 14 17.814 7.528 26.611 1.00 0.00 N ATOM 1279 CA GLY B 14 16.671 6.738 26.144 1.00 0.00 C ATOM 1280 C GLY B 14 16.112 7.261 24.819 1.00 0.00 C ATOM 1281 O GLY B 14 15.716 8.428 24.742 1.00 0.00 O ATOM 0 H GLY B 14 17.558 8.256 27.278 1.00 0.00 H new ATOM 0 HA2 GLY B 14 16.975 5.698 26.023 1.00 0.00 H new ATOM 0 HA3 GLY B 14 15.886 6.755 26.900 1.00 0.00 H new ATOM 1285 N ARG B 15 16.058 6.430 23.768 1.00 0.00 N ATOM 1286 CA ARG B 15 15.454 6.810 22.477 1.00 0.00 C ATOM 1287 C ARG B 15 13.925 6.703 22.531 1.00 0.00 C ATOM 1288 O ARG B 15 13.384 5.771 23.129 1.00 0.00 O ATOM 1289 CB ARG B 15 16.062 5.982 21.328 1.00 0.00 C ATOM 1290 CG ARG B 15 15.786 6.636 19.958 1.00 0.00 C ATOM 1291 CD ARG B 15 16.443 5.873 18.803 1.00 0.00 C ATOM 1292 NE ARG B 15 15.692 4.649 18.457 1.00 0.00 N ATOM 1293 CZ ARG B 15 16.019 3.390 18.661 1.00 0.00 C ATOM 1294 NH1 ARG B 15 17.125 3.012 19.232 1.00 0.00 N1+ ATOM 1295 NH2 ARG B 15 15.187 2.477 18.264 1.00 0.00 N ATOM 0 H ARG B 15 16.429 5.480 23.785 1.00 0.00 H new ATOM 0 HA ARG B 15 15.687 7.856 22.278 1.00 0.00 H new ATOM 0 HB2 ARG B 15 17.137 5.885 21.477 1.00 0.00 H new ATOM 0 HB3 ARG B 15 15.646 4.975 21.343 1.00 0.00 H new ATOM 0 HG2 ARG B 15 14.710 6.685 19.792 1.00 0.00 H new ATOM 0 HG3 ARG B 15 16.154 7.662 19.968 1.00 0.00 H new ATOM 0 HD2 ARG B 15 16.505 6.521 17.928 1.00 0.00 H new ATOM 0 HD3 ARG B 15 17.464 5.608 19.077 1.00 0.00 H new ATOM 0 HE ARG B 15 14.795 4.800 17.996 1.00 0.00 H new ATOM 0 HH11 ARG B 15 17.798 3.709 19.551 1.00 0.00 H new ATOM 0 HH12 ARG B 15 17.319 2.019 19.361 1.00 0.00 H new ATOM 0 HH21 ARG B 15 14.313 2.745 17.811 1.00 0.00 H new ATOM 0 HH22 ARG B 15 15.406 1.491 18.405 1.00 0.00 H new ATOM 1309 N VAL B 16 13.241 7.642 21.883 1.00 0.00 N ATOM 1310 CA VAL B 16 11.774 7.734 21.787 1.00 0.00 C ATOM 1311 C VAL B 16 11.360 7.920 20.329 1.00 0.00 C ATOM 1312 O VAL B 16 11.945 8.727 19.606 1.00 0.00 O ATOM 1313 CB VAL B 16 11.227 8.860 22.690 1.00 0.00 C ATOM 1314 CG1 VAL B 16 9.713 9.068 22.546 1.00 0.00 C ATOM 1315 CG2 VAL B 16 11.527 8.599 24.171 1.00 0.00 C ATOM 0 H VAL B 16 13.710 8.398 21.385 1.00 0.00 H new ATOM 0 HA VAL B 16 11.337 6.803 22.147 1.00 0.00 H new ATOM 0 HB VAL B 16 11.741 9.760 22.352 1.00 0.00 H new ATOM 0 HG11 VAL B 16 9.392 9.873 23.207 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.478 9.330 21.514 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.192 8.149 22.814 1.00 0.00 H new ATOM 0 HG21 VAL B 16 11.126 9.414 24.773 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.064 7.661 24.476 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.605 8.536 24.318 1.00 0.00 H new ATOM 1325 N GLU B 17 10.333 7.182 19.903 1.00 0.00 N ATOM 1326 CA GLU B 17 9.750 7.243 18.555 1.00 0.00 C ATOM 1327 C GLU B 17 8.224 7.411 18.637 1.00 0.00 C ATOM 1328 O GLU B 17 7.557 6.745 19.439 1.00 0.00 O ATOM 1329 CB GLU B 17 10.121 5.988 17.749 1.00 0.00 C ATOM 1330 CG GLU B 17 11.627 5.903 17.433 1.00 0.00 C ATOM 1331 CD GLU B 17 12.044 4.545 16.845 1.00 0.00 C ATOM 1332 OE1 GLU B 17 13.153 4.061 17.185 1.00 0.00 O ATOM 1333 OE2 GLU B 17 11.286 3.947 16.040 1.00 0.00 O1- ATOM 0 H GLU B 17 9.867 6.502 20.504 1.00 0.00 H new ATOM 0 HA GLU B 17 10.161 8.110 18.038 1.00 0.00 H new ATOM 0 HB2 GLU B 17 9.821 5.101 18.308 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.558 5.982 16.816 1.00 0.00 H new ATOM 0 HG2 GLU B 17 11.890 6.693 16.729 1.00 0.00 H new ATOM 0 HG3 GLU B 17 12.195 6.087 18.345 1.00 0.00 H new ATOM 1340 N ILE B 18 7.663 8.313 17.823 1.00 0.00 N ATOM 1341 CA ILE B 18 6.230 8.667 17.820 1.00 0.00 C ATOM 1342 C ILE B 18 5.690 8.558 16.389 1.00 0.00 C ATOM 1343 O ILE B 18 6.147 9.278 15.498 1.00 0.00 O ATOM 1344 CB ILE B 18 5.990 10.081 18.409 1.00 0.00 C ATOM 1345 CG1 ILE B 18 6.670 10.279 19.783 1.00 0.00 C ATOM 1346 CG2 ILE B 18 4.475 10.370 18.520 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.646 11.728 20.283 1.00 0.00 C ATOM 0 H ILE B 18 8.202 8.832 17.130 1.00 0.00 H new ATOM 0 HA ILE B 18 5.691 7.969 18.460 1.00 0.00 H new ATOM 0 HB ILE B 18 6.447 10.790 17.719 1.00 0.00 H new ATOM 0 HG12 ILE B 18 6.176 9.643 20.517 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.705 9.945 19.717 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.324 11.366 18.935 1.00 0.00 H new ATOM 0 HG22 ILE B 18 4.021 10.317 17.531 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.010 9.631 19.173 1.00 0.00 H new ATOM 0 HD11 ILE B 18 7.142 11.787 21.252 1.00 0.00 H new ATOM 0 HD12 ILE B 18 7.166 12.368 19.570 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.613 12.061 20.383 1.00 0.00 H new ATOM 1359 N GLY B 19 4.726 7.664 16.164 1.00 0.00 N ATOM 1360 CA GLY B 19 4.085 7.451 14.859 1.00 0.00 C ATOM 1361 C GLY B 19 2.873 8.358 14.610 1.00 0.00 C ATOM 1362 O GLY B 19 2.314 8.958 15.533 1.00 0.00 O ATOM 0 H GLY B 19 4.360 7.055 16.895 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.820 7.618 14.072 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.770 6.410 14.785 1.00 0.00 H new ATOM 1366 N ASP B 20 2.437 8.419 13.348 1.00 0.00 N ATOM 1367 CA ASP B 20 1.212 9.100 12.892 1.00 0.00 C ATOM 1368 C ASP B 20 1.130 10.593 13.286 1.00 0.00 C ATOM 1369 O ASP B 20 0.055 11.119 13.583 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.046 8.289 13.283 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.014 6.793 12.893 1.00 0.00 C ATOM 1372 OD1 ASP B 20 -0.783 6.009 13.500 1.00 0.00 O ATOM 1373 OD2 ASP B 20 0.750 6.386 11.981 1.00 0.00 O1- ATOM 0 H ASP B 20 2.946 7.978 12.582 1.00 0.00 H new ATOM 0 HA ASP B 20 1.259 9.128 11.803 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.186 8.364 14.361 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -0.916 8.751 12.816 1.00 0.00 H new ATOM 1378 N VAL B 21 2.267 11.288 13.323 1.00 0.00 N ATOM 1379 CA VAL B 21 2.378 12.711 13.680 1.00 0.00 C ATOM 1380 C VAL B 21 1.884 13.604 12.538 1.00 0.00 C ATOM 1381 O VAL B 21 2.363 13.502 11.409 1.00 0.00 O ATOM 1382 CB VAL B 21 3.822 13.053 14.097 1.00 0.00 C ATOM 1383 CG1 VAL B 21 4.038 14.555 14.314 1.00 0.00 C ATOM 1384 CG2 VAL B 21 4.178 12.318 15.396 1.00 0.00 C ATOM 0 H VAL B 21 3.168 10.866 13.099 1.00 0.00 H new ATOM 0 HA VAL B 21 1.734 12.905 14.538 1.00 0.00 H new ATOM 0 HB VAL B 21 4.466 12.734 13.277 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.073 14.735 14.606 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.823 15.091 13.389 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.372 14.908 15.101 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.200 12.564 15.685 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.493 12.625 16.187 1.00 0.00 H new ATOM 0 HG23 VAL B 21 4.094 11.242 15.240 1.00 0.00 H new ATOM 1394 N LEU B 22 0.934 14.499 12.834 1.00 0.00 N ATOM 1395 CA LEU B 22 0.409 15.493 11.891 1.00 0.00 C ATOM 1396 C LEU B 22 1.251 16.772 11.848 1.00 0.00 C ATOM 1397 O LEU B 22 1.317 17.428 10.809 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.034 15.876 12.279 1.00 0.00 C ATOM 1399 CG LEU B 22 -2.051 14.721 12.281 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.438 15.292 12.582 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -2.126 13.983 10.947 1.00 0.00 C ATOM 0 H LEU B 22 0.500 14.553 13.755 1.00 0.00 H new ATOM 0 HA LEU B 22 0.441 15.031 10.904 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.017 16.323 13.273 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.385 16.644 11.590 1.00 0.00 H new ATOM 0 HG LEU B 22 -1.722 14.008 13.037 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.171 14.485 12.587 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.427 15.778 13.557 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -3.706 16.020 11.816 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -2.861 13.181 11.016 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -2.421 14.679 10.162 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -1.150 13.561 10.709 1.00 0.00 H new ATOM 1413 N GLU B 23 1.873 17.157 12.963 1.00 0.00 N ATOM 1414 CA GLU B 23 2.583 18.438 13.112 1.00 0.00 C ATOM 1415 C GLU B 23 3.557 18.449 14.303 1.00 0.00 C ATOM 1416 O GLU B 23 3.315 17.802 15.330 1.00 0.00 O ATOM 1417 CB GLU B 23 1.574 19.600 13.225 1.00 0.00 C ATOM 1418 CG GLU B 23 0.611 19.492 14.417 1.00 0.00 C ATOM 1419 CD GLU B 23 -0.631 20.379 14.231 1.00 0.00 C ATOM 1420 OE1 GLU B 23 -1.487 20.075 13.365 1.00 0.00 O ATOM 1421 OE2 GLU B 23 -0.776 21.370 14.986 1.00 0.00 O1- ATOM 0 H GLU B 23 1.901 16.581 13.805 1.00 0.00 H new ATOM 0 HA GLU B 23 3.188 18.570 12.215 1.00 0.00 H new ATOM 0 HB2 GLU B 23 2.125 20.537 13.303 1.00 0.00 H new ATOM 0 HB3 GLU B 23 0.990 19.649 12.306 1.00 0.00 H new ATOM 0 HG2 GLU B 23 0.301 18.454 14.541 1.00 0.00 H new ATOM 0 HG3 GLU B 23 1.130 19.781 15.331 1.00 0.00 H new ATOM 1428 N VAL B 24 4.639 19.231 14.174 1.00 0.00 N ATOM 1429 CA VAL B 24 5.622 19.525 15.232 1.00 0.00 C ATOM 1430 C VAL B 24 6.017 21.005 15.238 1.00 0.00 C ATOM 1431 O VAL B 24 5.988 21.678 14.203 1.00 0.00 O ATOM 1432 CB VAL B 24 6.887 18.636 15.162 1.00 0.00 C ATOM 1433 CG1 VAL B 24 6.560 17.142 15.210 1.00 0.00 C ATOM 1434 CG2 VAL B 24 7.740 18.858 13.909 1.00 0.00 C ATOM 0 H VAL B 24 4.864 19.696 13.294 1.00 0.00 H new ATOM 0 HA VAL B 24 5.118 19.288 16.169 1.00 0.00 H new ATOM 0 HB VAL B 24 7.451 18.942 16.043 1.00 0.00 H new ATOM 0 HG11 VAL B 24 7.484 16.566 15.158 1.00 0.00 H new ATOM 0 HG12 VAL B 24 6.041 16.913 16.141 1.00 0.00 H new ATOM 0 HG13 VAL B 24 5.922 16.882 14.366 1.00 0.00 H new ATOM 0 HG21 VAL B 24 8.607 18.197 13.937 1.00 0.00 H new ATOM 0 HG22 VAL B 24 7.146 18.640 13.021 1.00 0.00 H new ATOM 0 HG23 VAL B 24 8.075 19.895 13.876 1.00 0.00 H new ATOM 1444 N ARG B 25 6.408 21.519 16.412 1.00 0.00 N ATOM 1445 CA ARG B 25 6.819 22.921 16.625 1.00 0.00 C ATOM 1446 C ARG B 25 8.025 23.012 17.554 1.00 0.00 C ATOM 1447 O ARG B 25 7.977 22.484 18.662 1.00 0.00 O ATOM 1448 CB ARG B 25 5.651 23.744 17.209 1.00 0.00 C ATOM 1449 CG ARG B 25 4.400 23.762 16.318 1.00 0.00 C ATOM 1450 CD ARG B 25 3.298 24.637 16.931 1.00 0.00 C ATOM 1451 NE ARG B 25 2.131 24.730 16.038 1.00 0.00 N ATOM 1452 CZ ARG B 25 1.216 23.800 15.818 1.00 0.00 C ATOM 1453 NH1 ARG B 25 1.175 22.670 16.459 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 0.289 23.966 14.925 1.00 0.00 N ATOM 0 H ARG B 25 6.450 20.960 17.264 1.00 0.00 H new ATOM 0 HA ARG B 25 7.100 23.331 15.655 1.00 0.00 H new ATOM 0 HB2 ARG B 25 5.385 23.338 18.185 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.986 24.769 17.370 1.00 0.00 H new ATOM 0 HG2 ARG B 25 4.660 24.139 15.329 1.00 0.00 H new ATOM 0 HG3 ARG B 25 4.030 22.745 16.185 1.00 0.00 H new ATOM 0 HD2 ARG B 25 2.992 24.221 17.891 1.00 0.00 H new ATOM 0 HD3 ARG B 25 3.690 25.635 17.126 1.00 0.00 H new ATOM 0 HE ARG B 25 2.015 25.609 15.533 1.00 0.00 H new ATOM 0 HH11 ARG B 25 1.872 22.464 17.174 1.00 0.00 H new ATOM 0 HH12 ARG B 25 0.445 21.990 16.247 1.00 0.00 H new ATOM 0 HH21 ARG B 25 0.257 24.826 14.377 1.00 0.00 H new ATOM 0 HH22 ARG B 25 -0.407 23.237 14.771 1.00 0.00 H new ATOM 1468 N ALA B 26 9.074 23.703 17.124 1.00 0.00 N ATOM 1469 CA ALA B 26 10.220 24.064 17.948 1.00 0.00 C ATOM 1470 C ALA B 26 10.082 25.498 18.499 1.00 0.00 C ATOM 1471 O ALA B 26 9.676 26.428 17.796 1.00 0.00 O ATOM 1472 CB ALA B 26 11.503 23.873 17.126 1.00 0.00 C ATOM 0 H ALA B 26 9.152 24.037 16.164 1.00 0.00 H new ATOM 0 HA ALA B 26 10.268 23.411 18.819 1.00 0.00 H new ATOM 0 HB1 ALA B 26 12.368 24.141 17.734 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.585 22.831 16.817 1.00 0.00 H new ATOM 0 HB3 ALA B 26 11.468 24.512 16.243 1.00 0.00 H new ATOM 1478 N GLU B 27 10.435 25.679 19.767 1.00 0.00 N ATOM 1479 CA GLU B 27 10.344 26.933 20.529 1.00 0.00 C ATOM 1480 C GLU B 27 11.677 27.232 21.261 1.00 0.00 C ATOM 1481 O GLU B 27 12.624 26.446 21.195 1.00 0.00 O ATOM 1482 CB GLU B 27 9.159 26.834 21.514 1.00 0.00 C ATOM 1483 CG GLU B 27 7.786 26.552 20.862 1.00 0.00 C ATOM 1484 CD GLU B 27 7.337 27.616 19.837 1.00 0.00 C ATOM 1485 OE1 GLU B 27 7.653 28.821 20.004 1.00 0.00 O ATOM 1486 OE2 GLU B 27 6.597 27.265 18.889 1.00 0.00 O1- ATOM 0 H GLU B 27 10.814 24.916 20.328 1.00 0.00 H new ATOM 0 HA GLU B 27 10.166 27.766 19.848 1.00 0.00 H new ATOM 0 HB2 GLU B 27 9.371 26.044 22.235 1.00 0.00 H new ATOM 0 HB3 GLU B 27 9.093 27.767 22.074 1.00 0.00 H new ATOM 0 HG2 GLU B 27 7.825 25.582 20.367 1.00 0.00 H new ATOM 0 HG3 GLU B 27 7.033 26.480 21.646 1.00 0.00 H new ATOM 1493 N GLY B 28 11.761 28.353 21.991 1.00 0.00 N ATOM 1494 CA GLY B 28 12.964 28.844 22.694 1.00 0.00 C ATOM 1495 C GLY B 28 13.463 28.017 23.895 1.00 0.00 C ATOM 1496 O GLY B 28 14.057 28.572 24.823 1.00 0.00 O ATOM 0 H GLY B 28 10.960 28.972 22.116 1.00 0.00 H new ATOM 0 HA2 GLY B 28 13.775 28.911 21.969 1.00 0.00 H new ATOM 0 HA3 GLY B 28 12.763 29.857 23.042 1.00 0.00 H new ATOM 1500 N GLY B 29 13.212 26.706 23.907 1.00 0.00 N ATOM 1501 CA GLY B 29 13.603 25.774 24.974 1.00 0.00 C ATOM 1502 C GLY B 29 12.958 24.382 24.918 1.00 0.00 C ATOM 1503 O GLY B 29 13.250 23.571 25.795 1.00 0.00 O ATOM 0 H GLY B 29 12.712 26.244 23.147 1.00 0.00 H new ATOM 0 HA2 GLY B 29 14.686 25.653 24.945 1.00 0.00 H new ATOM 0 HA3 GLY B 29 13.358 26.228 25.934 1.00 0.00 H new ATOM 1507 N ALA B 30 12.094 24.079 23.938 1.00 0.00 N ATOM 1508 CA ALA B 30 11.407 22.787 23.819 1.00 0.00 C ATOM 1509 C ALA B 30 10.881 22.512 22.392 1.00 0.00 C ATOM 1510 O ALA B 30 10.710 23.433 21.591 1.00 0.00 O ATOM 1511 CB ALA B 30 10.235 22.765 24.816 1.00 0.00 C ATOM 0 H ALA B 30 11.850 24.735 23.196 1.00 0.00 H new ATOM 0 HA ALA B 30 12.130 22.002 24.041 1.00 0.00 H new ATOM 0 HB1 ALA B 30 9.712 21.812 24.742 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.617 22.892 25.829 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.545 23.576 24.584 1.00 0.00 H new ATOM 1517 N VAL B 31 10.536 21.245 22.121 1.00 0.00 N ATOM 1518 CA VAL B 31 9.712 20.806 20.968 1.00 0.00 C ATOM 1519 C VAL B 31 8.363 20.252 21.435 1.00 0.00 C ATOM 1520 O VAL B 31 8.296 19.540 22.434 1.00 0.00 O ATOM 1521 CB VAL B 31 10.447 19.794 20.066 1.00 0.00 C ATOM 1522 CG1 VAL B 31 9.555 19.180 18.974 1.00 0.00 C ATOM 1523 CG2 VAL B 31 11.603 20.476 19.335 1.00 0.00 C ATOM 0 H VAL B 31 10.828 20.467 22.713 1.00 0.00 H new ATOM 0 HA VAL B 31 9.527 21.691 20.359 1.00 0.00 H new ATOM 0 HB VAL B 31 10.783 19.007 20.741 1.00 0.00 H new ATOM 0 HG11 VAL B 31 10.139 18.478 18.379 1.00 0.00 H new ATOM 0 HG12 VAL B 31 8.720 18.655 19.439 1.00 0.00 H new ATOM 0 HG13 VAL B 31 9.172 19.971 18.329 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.113 19.749 18.702 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.216 21.286 18.718 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.307 20.879 20.063 1.00 0.00 H new ATOM 1533 N ARG B 32 7.298 20.551 20.680 1.00 0.00 N ATOM 1534 CA ARG B 32 5.937 19.992 20.811 1.00 0.00 C ATOM 1535 C ARG B 32 5.562 19.159 19.583 1.00 0.00 C ATOM 1536 O ARG B 32 6.006 19.462 18.474 1.00 0.00 O ATOM 1537 CB ARG B 32 4.930 21.138 21.042 1.00 0.00 C ATOM 1538 CG ARG B 32 5.158 21.847 22.393 1.00 0.00 C ATOM 1539 CD ARG B 32 4.359 23.149 22.527 1.00 0.00 C ATOM 1540 NE ARG B 32 2.900 22.922 22.596 1.00 0.00 N ATOM 1541 CZ ARG B 32 1.954 23.831 22.741 1.00 0.00 C ATOM 1542 NH1 ARG B 32 2.211 25.108 22.827 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 0.716 23.449 22.792 1.00 0.00 N ATOM 0 H ARG B 32 7.361 21.226 19.918 1.00 0.00 H new ATOM 0 HA ARG B 32 5.909 19.323 21.671 1.00 0.00 H new ATOM 0 HB2 ARG B 32 5.016 21.864 20.233 1.00 0.00 H new ATOM 0 HB3 ARG B 32 3.915 20.741 21.008 1.00 0.00 H new ATOM 0 HG2 ARG B 32 4.881 21.172 23.203 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.220 22.065 22.508 1.00 0.00 H new ATOM 0 HD2 ARG B 32 4.682 23.678 23.424 1.00 0.00 H new ATOM 0 HD3 ARG B 32 4.582 23.795 21.678 1.00 0.00 H new ATOM 0 HE ARG B 32 2.589 21.953 22.523 1.00 0.00 H new ATOM 0 HH11 ARG B 32 3.175 25.438 22.783 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.448 25.775 22.939 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.485 22.458 22.720 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -0.027 24.139 22.904 1.00 0.00 H new ATOM 1557 N VAL B 33 4.753 18.115 19.777 1.00 0.00 N ATOM 1558 CA VAL B 33 4.403 17.077 18.782 1.00 0.00 C ATOM 1559 C VAL B 33 2.925 16.686 18.925 1.00 0.00 C ATOM 1560 O VAL B 33 2.475 16.485 20.052 1.00 0.00 O ATOM 1561 CB VAL B 33 5.286 15.826 18.995 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.967 14.709 17.995 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.794 16.125 18.931 1.00 0.00 C ATOM 0 H VAL B 33 4.297 17.955 20.675 1.00 0.00 H new ATOM 0 HA VAL B 33 4.574 17.478 17.783 1.00 0.00 H new ATOM 0 HB VAL B 33 5.042 15.493 20.004 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.614 13.853 18.187 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.925 14.408 18.106 1.00 0.00 H new ATOM 0 HG13 VAL B 33 5.135 15.070 16.980 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.355 15.204 19.089 1.00 0.00 H new ATOM 0 HG22 VAL B 33 7.042 16.538 17.953 1.00 0.00 H new ATOM 0 HG23 VAL B 33 7.055 16.846 19.706 1.00 0.00 H new ATOM 1573 N THR B 34 2.170 16.530 17.827 1.00 0.00 N ATOM 1574 CA THR B 34 0.738 16.141 17.858 1.00 0.00 C ATOM 1575 C THR B 34 0.382 15.044 16.842 1.00 0.00 C ATOM 1576 O THR B 34 0.740 15.138 15.666 1.00 0.00 O ATOM 1577 CB THR B 34 -0.176 17.366 17.673 1.00 0.00 C ATOM 1578 OG1 THR B 34 0.062 18.326 18.683 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.665 17.027 17.762 1.00 0.00 C ATOM 0 H THR B 34 2.531 16.669 16.883 1.00 0.00 H new ATOM 0 HA THR B 34 0.566 15.717 18.847 1.00 0.00 H new ATOM 0 HB THR B 34 0.060 17.743 16.678 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.527 19.097 18.547 1.00 0.00 H new ATOM 0 HG21 THR B 34 -2.254 17.934 17.623 1.00 0.00 H new ATOM 0 HG22 THR B 34 -1.921 16.306 16.986 1.00 0.00 H new ATOM 0 HG23 THR B 34 -1.883 16.599 18.741 1.00 0.00 H new ATOM 1587 N THR B 35 -0.328 14.002 17.283 1.00 0.00 N ATOM 1588 CA THR B 35 -0.715 12.825 16.469 1.00 0.00 C ATOM 1589 C THR B 35 -2.016 12.988 15.669 1.00 0.00 C ATOM 1590 O THR B 35 -2.785 13.932 15.857 1.00 0.00 O ATOM 1591 CB THR B 35 -0.827 11.556 17.337 1.00 0.00 C ATOM 1592 OG1 THR B 35 -1.989 11.603 18.135 1.00 0.00 O ATOM 1593 CG2 THR B 35 0.397 11.327 18.226 1.00 0.00 C ATOM 0 H THR B 35 -0.664 13.943 18.244 1.00 0.00 H new ATOM 0 HA THR B 35 0.093 12.731 15.744 1.00 0.00 H new ATOM 0 HB THR B 35 -0.885 10.717 16.644 1.00 0.00 H new ATOM 0 HG1 THR B 35 -2.046 10.789 18.678 1.00 0.00 H new ATOM 0 HG21 THR B 35 0.256 10.419 18.812 1.00 0.00 H new ATOM 0 HG22 THR B 35 1.285 11.223 17.603 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.523 12.176 18.898 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.299 12.001 14.807 1.00 0.00 N ATOM 1602 CA LEU B 36 -3.548 11.778 14.066 1.00 0.00 C ATOM 1603 C LEU B 36 -4.800 11.803 14.959 1.00 0.00 C ATOM 1604 O LEU B 36 -5.879 12.209 14.516 1.00 0.00 O ATOM 1605 CB LEU B 36 -3.386 10.421 13.343 1.00 0.00 C ATOM 1606 CG LEU B 36 -4.622 9.874 12.610 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -5.074 10.784 11.464 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -4.303 8.507 12.000 1.00 0.00 C ATOM 0 H LEU B 36 -1.607 11.283 14.594 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.709 12.591 13.359 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -2.576 10.516 12.619 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.071 9.680 14.078 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.417 9.811 13.353 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.950 10.352 10.980 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.326 11.768 11.859 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -4.268 10.881 10.737 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -5.183 8.125 11.482 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.480 8.608 11.292 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -4.018 7.813 12.791 1.00 0.00 H new ATOM 1620 N PHE B 37 -4.653 11.407 16.225 1.00 0.00 N ATOM 1621 CA PHE B 37 -5.728 11.335 17.221 1.00 0.00 C ATOM 1622 C PHE B 37 -5.736 12.537 18.187 1.00 0.00 C ATOM 1623 O PHE B 37 -6.381 12.493 19.239 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.664 9.962 17.913 1.00 0.00 C ATOM 1625 CG PHE B 37 -5.665 8.812 16.912 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -6.851 8.476 16.227 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -4.465 8.142 16.598 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -6.834 7.493 15.222 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -4.452 7.160 15.590 1.00 0.00 C ATOM 1630 CZ PHE B 37 -5.631 6.844 14.896 1.00 0.00 C ATOM 0 H PHE B 37 -3.750 11.117 16.600 1.00 0.00 H new ATOM 0 HA PHE B 37 -6.694 11.415 16.722 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.764 9.907 18.526 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -6.515 9.856 18.586 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -7.776 8.976 16.475 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -3.557 8.382 17.130 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -7.745 7.237 14.701 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -3.532 6.648 15.349 1.00 0.00 H new ATOM 0 HZ PHE B 37 -5.613 6.102 14.111 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.022 13.612 17.833 1.00 0.00 N ATOM 1641 CA ASP B 38 -4.838 14.849 18.612 1.00 0.00 C ATOM 1642 C ASP B 38 -4.174 14.646 19.996 1.00 0.00 C ATOM 1643 O ASP B 38 -4.291 15.501 20.876 1.00 0.00 O ATOM 1644 CB ASP B 38 -6.140 15.678 18.670 1.00 0.00 C ATOM 1645 CG ASP B 38 -6.773 15.965 17.295 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -8.021 15.910 17.182 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -6.047 16.316 16.335 1.00 0.00 O1- ATOM 0 H ASP B 38 -4.526 13.647 16.942 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.104 15.440 18.064 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -6.866 15.149 19.287 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -5.931 16.626 19.165 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.449 13.536 20.203 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.608 13.344 21.392 1.00 0.00 C ATOM 1654 C GLU B 39 -1.351 14.221 21.289 1.00 0.00 C ATOM 1655 O GLU B 39 -0.619 14.152 20.297 1.00 0.00 O ATOM 1656 CB GLU B 39 -2.209 11.866 21.571 1.00 0.00 C ATOM 1657 CG GLU B 39 -3.393 10.900 21.728 1.00 0.00 C ATOM 1658 CD GLU B 39 -4.302 11.190 22.946 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -3.834 11.765 23.959 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -5.499 10.817 22.910 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.430 12.750 19.553 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.188 13.640 22.266 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.616 11.556 20.711 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.568 11.780 22.448 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -3.998 10.937 20.822 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.008 9.884 21.812 1.00 0.00 H new ATOM 1667 N GLU B 40 -1.094 15.051 22.303 1.00 0.00 N ATOM 1668 CA GLU B 40 0.071 15.946 22.358 1.00 0.00 C ATOM 1669 C GLU B 40 1.208 15.374 23.225 1.00 0.00 C ATOM 1670 O GLU B 40 0.972 14.831 24.309 1.00 0.00 O ATOM 1671 CB GLU B 40 -0.364 17.346 22.825 1.00 0.00 C ATOM 1672 CG GLU B 40 0.811 18.340 22.856 1.00 0.00 C ATOM 1673 CD GLU B 40 0.369 19.800 23.047 1.00 0.00 C ATOM 1674 OE1 GLU B 40 -0.664 20.070 23.711 1.00 0.00 O ATOM 1675 OE2 GLU B 40 1.076 20.710 22.555 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.697 15.123 23.123 1.00 0.00 H new ATOM 0 HA GLU B 40 0.480 16.031 21.351 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -1.140 17.724 22.160 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -0.804 17.275 23.820 1.00 0.00 H new ATOM 0 HG2 GLU B 40 1.489 18.065 23.664 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.373 18.257 21.926 1.00 0.00 H new ATOM 1682 N HIS B 41 2.446 15.564 22.764 1.00 0.00 N ATOM 1683 CA HIS B 41 3.693 15.254 23.477 1.00 0.00 C ATOM 1684 C HIS B 41 4.619 16.478 23.463 1.00 0.00 C ATOM 1685 O HIS B 41 4.577 17.274 22.519 1.00 0.00 O ATOM 1686 CB HIS B 41 4.372 14.031 22.837 1.00 0.00 C ATOM 1687 CG HIS B 41 3.464 12.852 22.584 1.00 0.00 C ATOM 1688 ND1 HIS B 41 3.138 11.856 23.509 1.00 0.00 N ATOM 1689 CD2 HIS B 41 2.805 12.605 21.413 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.296 11.025 22.868 1.00 0.00 C ATOM 1691 NE2 HIS B 41 2.082 11.450 21.612 1.00 0.00 N ATOM 0 H HIS B 41 2.618 15.957 21.839 1.00 0.00 H new ATOM 0 HA HIS B 41 3.469 15.011 24.516 1.00 0.00 H new ATOM 0 HB2 HIS B 41 4.817 14.336 21.890 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.188 13.709 23.484 1.00 0.00 H new ATOM 0 HD2 HIS B 41 2.843 13.198 20.511 1.00 0.00 H new ATOM 0 HE1 HIS B 41 1.854 10.140 23.302 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.485 10.994 20.922 1.00 0.00 H new ATOM 1699 N ALA B 42 5.456 16.640 24.487 1.00 0.00 N ATOM 1700 CA ALA B 42 6.393 17.762 24.601 1.00 0.00 C ATOM 1701 C ALA B 42 7.725 17.353 25.257 1.00 0.00 C ATOM 1702 O ALA B 42 7.747 16.534 26.183 1.00 0.00 O ATOM 1703 CB ALA B 42 5.715 18.915 25.350 1.00 0.00 C ATOM 0 H ALA B 42 5.505 15.989 25.271 1.00 0.00 H new ATOM 0 HA ALA B 42 6.653 18.096 23.597 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.409 19.751 25.436 1.00 0.00 H new ATOM 0 HB2 ALA B 42 4.829 19.234 24.801 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.424 18.581 26.346 1.00 0.00 H new ATOM 1709 N PHE B 43 8.824 17.931 24.768 1.00 0.00 N ATOM 1710 CA PHE B 43 10.196 17.525 25.088 1.00 0.00 C ATOM 1711 C PHE B 43 11.118 18.750 25.271 1.00 0.00 C ATOM 1712 O PHE B 43 11.387 19.451 24.288 1.00 0.00 O ATOM 1713 CB PHE B 43 10.708 16.597 23.976 1.00 0.00 C ATOM 1714 CG PHE B 43 9.859 15.357 23.772 1.00 0.00 C ATOM 1715 CD1 PHE B 43 8.858 15.345 22.782 1.00 0.00 C ATOM 1716 CD2 PHE B 43 10.032 14.243 24.618 1.00 0.00 C ATOM 1717 CE1 PHE B 43 8.017 14.228 22.652 1.00 0.00 C ATOM 1718 CE2 PHE B 43 9.183 13.129 24.490 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.172 13.125 23.511 1.00 0.00 C ATOM 0 H PHE B 43 8.784 18.717 24.120 1.00 0.00 H new ATOM 0 HA PHE B 43 10.202 16.988 26.037 1.00 0.00 H new ATOM 0 HB2 PHE B 43 10.749 17.155 23.041 1.00 0.00 H new ATOM 0 HB3 PHE B 43 11.728 16.293 24.211 1.00 0.00 H new ATOM 0 HD1 PHE B 43 8.737 16.193 22.124 1.00 0.00 H new ATOM 0 HD2 PHE B 43 10.814 14.245 25.363 1.00 0.00 H new ATOM 0 HE1 PHE B 43 7.250 14.216 21.892 1.00 0.00 H new ATOM 0 HE2 PHE B 43 9.307 12.277 25.142 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.514 12.274 23.419 1.00 0.00 H new ATOM 1729 N PRO B 44 11.595 19.045 26.496 1.00 0.00 N ATOM 1730 CA PRO B 44 12.485 20.176 26.749 1.00 0.00 C ATOM 1731 C PRO B 44 13.900 19.950 26.196 1.00 0.00 C ATOM 1732 O PRO B 44 14.407 18.829 26.130 1.00 0.00 O ATOM 1733 CB PRO B 44 12.479 20.367 28.268 1.00 0.00 C ATOM 1734 CG PRO B 44 12.212 18.962 28.801 1.00 0.00 C ATOM 1735 CD PRO B 44 11.292 18.356 27.743 1.00 0.00 C ATOM 0 HA PRO B 44 12.138 21.071 26.233 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.431 20.759 28.627 1.00 0.00 H new ATOM 0 HB3 PRO B 44 11.706 21.069 28.582 1.00 0.00 H new ATOM 0 HG2 PRO B 44 13.134 18.390 28.908 1.00 0.00 H new ATOM 0 HG3 PRO B 44 11.736 18.987 29.781 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.463 17.284 27.647 1.00 0.00 H new ATOM 0 HD3 PRO B 44 10.245 18.488 28.016 1.00 0.00 H new ATOM 1743 N GLY B 45 14.551 21.045 25.815 1.00 0.00 N ATOM 1744 CA GLY B 45 15.949 21.090 25.360 1.00 0.00 C ATOM 1745 C GLY B 45 16.179 20.661 23.903 1.00 0.00 C ATOM 1746 O GLY B 45 17.333 20.544 23.487 1.00 0.00 O ATOM 0 H GLY B 45 14.108 21.964 25.812 1.00 0.00 H new ATOM 0 HA2 GLY B 45 16.322 22.106 25.485 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.546 20.449 26.009 1.00 0.00 H new ATOM 1750 N LEU B 46 15.113 20.423 23.129 1.00 0.00 N ATOM 1751 CA LEU B 46 15.188 20.011 21.720 1.00 0.00 C ATOM 1752 C LEU B 46 14.852 21.151 20.739 1.00 0.00 C ATOM 1753 O LEU B 46 14.230 22.155 21.097 1.00 0.00 O ATOM 1754 CB LEU B 46 14.289 18.782 21.466 1.00 0.00 C ATOM 1755 CG LEU B 46 14.580 17.543 22.338 1.00 0.00 C ATOM 1756 CD1 LEU B 46 13.708 16.383 21.850 1.00 0.00 C ATOM 1757 CD2 LEU B 46 16.037 17.080 22.261 1.00 0.00 C ATOM 0 H LEU B 46 14.156 20.513 23.470 1.00 0.00 H new ATOM 0 HA LEU B 46 16.226 19.738 21.528 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.251 19.077 21.622 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.385 18.496 20.419 1.00 0.00 H new ATOM 0 HG LEU B 46 14.366 17.827 23.369 1.00 0.00 H new ATOM 0 HD11 LEU B 46 13.904 15.500 22.458 1.00 0.00 H new ATOM 0 HD12 LEU B 46 12.657 16.657 21.936 1.00 0.00 H new ATOM 0 HD13 LEU B 46 13.942 16.165 20.808 1.00 0.00 H new ATOM 0 HD21 LEU B 46 16.175 16.205 22.897 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.283 16.822 21.231 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.692 17.882 22.601 1.00 0.00 H new ATOM 1769 N ALA B 47 15.220 20.928 19.475 1.00 0.00 N ATOM 1770 CA ALA B 47 14.755 21.625 18.275 1.00 0.00 C ATOM 1771 C ALA B 47 14.590 20.622 17.109 1.00 0.00 C ATOM 1772 O ALA B 47 15.082 19.491 17.174 1.00 0.00 O ATOM 1773 CB ALA B 47 15.736 22.755 17.931 1.00 0.00 C ATOM 0 H ALA B 47 15.900 20.203 19.248 1.00 0.00 H new ATOM 0 HA ALA B 47 13.778 22.072 18.457 1.00 0.00 H new ATOM 0 HB1 ALA B 47 15.392 23.276 17.037 1.00 0.00 H new ATOM 0 HB2 ALA B 47 15.788 23.457 18.763 1.00 0.00 H new ATOM 0 HB3 ALA B 47 16.725 22.335 17.748 1.00 0.00 H new ATOM 1779 N ILE B 48 13.900 21.015 16.032 1.00 0.00 N ATOM 1780 CA ILE B 48 13.760 20.192 14.819 1.00 0.00 C ATOM 1781 C ILE B 48 15.071 20.259 14.016 1.00 0.00 C ATOM 1782 O ILE B 48 15.520 21.347 13.640 1.00 0.00 O ATOM 1783 CB ILE B 48 12.544 20.637 13.977 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.213 20.526 14.761 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.431 19.795 12.687 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.194 21.570 14.291 1.00 0.00 C ATOM 0 H ILE B 48 13.421 21.914 15.974 1.00 0.00 H new ATOM 0 HA ILE B 48 13.574 19.156 15.102 1.00 0.00 H new ATOM 0 HB ILE B 48 12.712 21.684 13.727 1.00 0.00 H new ATOM 0 HG12 ILE B 48 10.797 19.527 14.633 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.405 20.657 15.826 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.567 20.127 12.111 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.335 19.920 12.091 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.311 18.744 12.948 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.272 21.462 14.863 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.601 22.570 14.443 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.983 21.422 13.232 1.00 0.00 H new ATOM 1798 N GLY B 49 15.688 19.107 13.749 1.00 0.00 N ATOM 1799 CA GLY B 49 16.929 18.998 12.973 1.00 0.00 C ATOM 1800 C GLY B 49 16.719 18.637 11.501 1.00 0.00 C ATOM 1801 O GLY B 49 17.397 19.185 10.628 1.00 0.00 O ATOM 0 H GLY B 49 15.335 18.206 14.071 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.464 19.946 13.030 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.567 18.243 13.433 1.00 0.00 H new ATOM 1805 N ARG B 50 15.765 17.738 11.213 1.00 0.00 N ATOM 1806 CA ARG B 50 15.459 17.252 9.854 1.00 0.00 C ATOM 1807 C ARG B 50 13.977 16.936 9.671 1.00 0.00 C ATOM 1808 O ARG B 50 13.319 16.489 10.612 1.00 0.00 O ATOM 1809 CB ARG B 50 16.262 15.973 9.522 1.00 0.00 C ATOM 1810 CG ARG B 50 17.780 16.058 9.773 1.00 0.00 C ATOM 1811 CD ARG B 50 18.524 14.818 9.258 1.00 0.00 C ATOM 1812 NE ARG B 50 18.099 13.580 9.952 1.00 0.00 N ATOM 1813 CZ ARG B 50 18.733 12.422 9.972 1.00 0.00 C ATOM 1814 NH1 ARG B 50 19.862 12.222 9.353 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 18.215 11.427 10.634 1.00 0.00 N ATOM 0 H ARG B 50 15.172 17.319 11.930 1.00 0.00 H new ATOM 0 HA ARG B 50 15.740 18.062 9.180 1.00 0.00 H new ATOM 0 HB2 ARG B 50 15.860 15.149 10.112 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.098 15.724 8.473 1.00 0.00 H new ATOM 0 HG2 ARG B 50 18.178 16.947 9.284 1.00 0.00 H new ATOM 0 HG3 ARG B 50 17.964 16.172 10.841 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.349 14.710 8.188 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.596 14.958 9.393 1.00 0.00 H new ATOM 0 HE ARG B 50 17.222 13.627 10.470 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.294 12.979 8.823 1.00 0.00 H new ATOM 0 HH12 ARG B 50 20.314 11.309 9.398 1.00 0.00 H new ATOM 0 HH21 ARG B 50 17.331 11.548 11.128 1.00 0.00 H new ATOM 0 HH22 ARG B 50 18.693 10.527 10.658 1.00 0.00 H new ATOM 1829 N VAL B 51 13.504 17.045 8.431 1.00 0.00 N ATOM 1830 CA VAL B 51 12.257 16.445 7.942 1.00 0.00 C ATOM 1831 C VAL B 51 12.439 15.919 6.513 1.00 0.00 C ATOM 1832 O VAL B 51 13.071 16.552 5.667 1.00 0.00 O ATOM 1833 CB VAL B 51 11.050 17.390 8.096 1.00 0.00 C ATOM 1834 CG1 VAL B 51 11.238 18.753 7.418 1.00 0.00 C ATOM 1835 CG2 VAL B 51 9.764 16.759 7.551 1.00 0.00 C ATOM 0 H VAL B 51 13.995 17.573 7.709 1.00 0.00 H new ATOM 0 HA VAL B 51 12.023 15.587 8.572 1.00 0.00 H new ATOM 0 HB VAL B 51 10.970 17.553 9.171 1.00 0.00 H new ATOM 0 HG11 VAL B 51 10.346 19.361 7.571 1.00 0.00 H new ATOM 0 HG12 VAL B 51 12.101 19.259 7.851 1.00 0.00 H new ATOM 0 HG13 VAL B 51 11.400 18.609 6.350 1.00 0.00 H new ATOM 0 HG21 VAL B 51 8.935 17.455 7.677 1.00 0.00 H new ATOM 0 HG22 VAL B 51 9.890 16.533 6.492 1.00 0.00 H new ATOM 0 HG23 VAL B 51 9.551 15.839 8.095 1.00 0.00 H new ATOM 1845 N ASP B 52 11.889 14.738 6.249 1.00 0.00 N ATOM 1846 CA ASP B 52 11.969 14.006 4.985 1.00 0.00 C ATOM 1847 C ASP B 52 10.558 13.539 4.597 1.00 0.00 C ATOM 1848 O ASP B 52 10.046 12.549 5.128 1.00 0.00 O ATOM 1849 CB ASP B 52 12.976 12.855 5.163 1.00 0.00 C ATOM 1850 CG ASP B 52 13.302 12.102 3.867 1.00 0.00 C ATOM 1851 OD1 ASP B 52 12.389 11.842 3.055 1.00 0.00 O ATOM 1852 OD2 ASP B 52 14.486 11.742 3.658 1.00 0.00 O1- ATOM 0 H ASP B 52 11.344 14.236 6.950 1.00 0.00 H new ATOM 0 HA ASP B 52 12.329 14.628 4.165 1.00 0.00 H new ATOM 0 HB2 ASP B 52 13.900 13.256 5.580 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.578 12.148 5.891 1.00 0.00 H new ATOM 1857 N LEU B 53 9.901 14.288 3.709 1.00 0.00 N ATOM 1858 CA LEU B 53 8.535 14.043 3.241 1.00 0.00 C ATOM 1859 C LEU B 53 8.453 12.793 2.344 1.00 0.00 C ATOM 1860 O LEU B 53 7.421 12.118 2.293 1.00 0.00 O ATOM 1861 CB LEU B 53 8.031 15.274 2.450 1.00 0.00 C ATOM 1862 CG LEU B 53 7.978 16.653 3.139 1.00 0.00 C ATOM 1863 CD1 LEU B 53 7.262 16.594 4.489 1.00 0.00 C ATOM 1864 CD2 LEU B 53 9.336 17.339 3.309 1.00 0.00 C ATOM 0 H LEU B 53 10.321 15.113 3.280 1.00 0.00 H new ATOM 0 HA LEU B 53 7.908 13.872 4.116 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.662 15.375 1.567 1.00 0.00 H new ATOM 0 HB3 LEU B 53 7.025 15.046 2.099 1.00 0.00 H new ATOM 0 HG LEU B 53 7.404 17.267 2.445 1.00 0.00 H new ATOM 0 HD11 LEU B 53 7.249 17.587 4.938 1.00 0.00 H new ATOM 0 HD12 LEU B 53 6.239 16.248 4.343 1.00 0.00 H new ATOM 0 HD13 LEU B 53 7.788 15.905 5.150 1.00 0.00 H new ATOM 0 HD21 LEU B 53 9.198 18.301 3.802 1.00 0.00 H new ATOM 0 HD22 LEU B 53 9.988 16.710 3.915 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.790 17.495 2.330 1.00 0.00 H new ATOM 1876 N ARG B 54 9.557 12.465 1.669 1.00 0.00 N ATOM 1877 CA ARG B 54 9.712 11.294 0.796 1.00 0.00 C ATOM 1878 C ARG B 54 9.658 9.984 1.599 1.00 0.00 C ATOM 1879 O ARG B 54 8.982 9.042 1.178 1.00 0.00 O ATOM 1880 CB ARG B 54 11.024 11.509 0.011 1.00 0.00 C ATOM 1881 CG ARG B 54 11.804 10.265 -0.455 1.00 0.00 C ATOM 1882 CD ARG B 54 13.211 10.663 -0.937 1.00 0.00 C ATOM 1883 NE ARG B 54 14.020 11.203 0.178 1.00 0.00 N ATOM 1884 CZ ARG B 54 14.950 12.131 0.130 1.00 0.00 C ATOM 1885 NH1 ARG B 54 15.383 12.681 -0.969 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 15.500 12.556 1.221 1.00 0.00 N ATOM 0 H ARG B 54 10.404 13.031 1.716 1.00 0.00 H new ATOM 0 HA ARG B 54 8.888 11.196 0.089 1.00 0.00 H new ATOM 0 HB2 ARG B 54 10.791 12.106 -0.871 1.00 0.00 H new ATOM 0 HB3 ARG B 54 11.690 12.107 0.633 1.00 0.00 H new ATOM 0 HG2 ARG B 54 11.882 9.549 0.363 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.263 9.770 -1.261 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.711 9.795 -1.367 1.00 0.00 H new ATOM 0 HD3 ARG B 54 13.131 11.409 -1.728 1.00 0.00 H new ATOM 0 HE ARG B 54 13.833 10.806 1.099 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.996 12.396 -1.869 1.00 0.00 H new ATOM 0 HH12 ARG B 54 16.109 13.397 -0.930 1.00 0.00 H new ATOM 0 HH21 ARG B 54 15.212 12.171 2.121 1.00 0.00 H new ATOM 0 HH22 ARG B 54 16.221 13.276 1.182 1.00 0.00 H new ATOM 1900 N SER B 55 10.309 9.954 2.765 1.00 0.00 N ATOM 1901 CA SER B 55 10.299 8.821 3.702 1.00 0.00 C ATOM 1902 C SER B 55 9.165 8.880 4.745 1.00 0.00 C ATOM 1903 O SER B 55 8.786 7.844 5.292 1.00 0.00 O ATOM 1904 CB SER B 55 11.632 8.764 4.463 1.00 0.00 C ATOM 1905 OG SER B 55 12.735 8.676 3.573 1.00 0.00 O ATOM 0 H SER B 55 10.874 10.737 3.095 1.00 0.00 H new ATOM 0 HA SER B 55 10.139 7.935 3.088 1.00 0.00 H new ATOM 0 HB2 SER B 55 11.735 9.653 5.086 1.00 0.00 H new ATOM 0 HB3 SER B 55 11.634 7.904 5.133 1.00 0.00 H new ATOM 0 HG SER B 55 13.569 8.643 4.087 1.00 0.00 H new ATOM 1911 N GLY B 56 8.631 10.074 5.035 1.00 0.00 N ATOM 1912 CA GLY B 56 7.663 10.316 6.110 1.00 0.00 C ATOM 1913 C GLY B 56 8.310 10.356 7.500 1.00 0.00 C ATOM 1914 O GLY B 56 7.784 9.751 8.436 1.00 0.00 O ATOM 0 H GLY B 56 8.867 10.919 4.515 1.00 0.00 H new ATOM 0 HA2 GLY B 56 7.152 11.261 5.926 1.00 0.00 H new ATOM 0 HA3 GLY B 56 6.904 9.534 6.091 1.00 0.00 H new ATOM 1918 N VAL B 57 9.471 11.011 7.644 1.00 0.00 N ATOM 1919 CA VAL B 57 10.325 10.976 8.852 1.00 0.00 C ATOM 1920 C VAL B 57 10.722 12.382 9.325 1.00 0.00 C ATOM 1921 O VAL B 57 11.015 13.257 8.512 1.00 0.00 O ATOM 1922 CB VAL B 57 11.578 10.104 8.598 1.00 0.00 C ATOM 1923 CG1 VAL B 57 12.534 10.060 9.799 1.00 0.00 C ATOM 1924 CG2 VAL B 57 11.207 8.645 8.280 1.00 0.00 C ATOM 0 H VAL B 57 9.858 11.598 6.905 1.00 0.00 H new ATOM 0 HA VAL B 57 9.739 10.528 9.654 1.00 0.00 H new ATOM 0 HB VAL B 57 12.070 10.579 7.749 1.00 0.00 H new ATOM 0 HG11 VAL B 57 13.392 9.433 9.558 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.875 11.069 10.030 1.00 0.00 H new ATOM 0 HG13 VAL B 57 12.014 9.647 10.663 1.00 0.00 H new ATOM 0 HG21 VAL B 57 12.115 8.068 8.108 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.659 8.218 9.120 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.584 8.615 7.386 1.00 0.00 H new ATOM 1934 N ILE B 58 10.791 12.585 10.642 1.00 0.00 N ATOM 1935 CA ILE B 58 11.288 13.791 11.329 1.00 0.00 C ATOM 1936 C ILE B 58 12.348 13.387 12.366 1.00 0.00 C ATOM 1937 O ILE B 58 12.133 12.458 13.143 1.00 0.00 O ATOM 1938 CB ILE B 58 10.115 14.557 11.988 1.00 0.00 C ATOM 1939 CG1 ILE B 58 9.221 15.218 10.912 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.605 15.626 12.994 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.841 15.648 11.427 1.00 0.00 C ATOM 0 H ILE B 58 10.484 11.871 11.303 1.00 0.00 H new ATOM 0 HA ILE B 58 11.751 14.461 10.604 1.00 0.00 H new ATOM 0 HB ILE B 58 9.530 13.823 12.543 1.00 0.00 H new ATOM 0 HG12 ILE B 58 9.737 16.091 10.512 1.00 0.00 H new ATOM 0 HG13 ILE B 58 9.088 14.520 10.086 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.746 16.136 13.430 1.00 0.00 H new ATOM 0 HG22 ILE B 58 11.181 15.145 13.785 1.00 0.00 H new ATOM 0 HG23 ILE B 58 11.234 16.351 12.477 1.00 0.00 H new ATOM 0 HD11 ILE B 58 7.275 16.102 10.614 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.304 14.776 11.800 1.00 0.00 H new ATOM 0 HD13 ILE B 58 7.963 16.372 12.233 1.00 0.00 H new ATOM 1953 N SER B 59 13.458 14.129 12.432 1.00 0.00 N ATOM 1954 CA SER B 59 14.522 13.957 13.432 1.00 0.00 C ATOM 1955 C SER B 59 14.673 15.220 14.287 1.00 0.00 C ATOM 1956 O SER B 59 14.873 16.316 13.753 1.00 0.00 O ATOM 1957 CB SER B 59 15.877 13.633 12.786 1.00 0.00 C ATOM 1958 OG SER B 59 15.790 12.560 11.859 1.00 0.00 O ATOM 0 H SER B 59 13.648 14.886 11.775 1.00 0.00 H new ATOM 0 HA SER B 59 14.226 13.115 14.058 1.00 0.00 H new ATOM 0 HB2 SER B 59 16.256 14.520 12.277 1.00 0.00 H new ATOM 0 HB3 SER B 59 16.597 13.380 13.564 1.00 0.00 H new ATOM 0 HG SER B 59 15.840 11.707 12.340 1.00 0.00 H new ATOM 1964 N LEU B 60 14.622 15.069 15.612 1.00 0.00 N ATOM 1965 CA LEU B 60 14.919 16.141 16.568 1.00 0.00 C ATOM 1966 C LEU B 60 16.381 16.090 17.038 1.00 0.00 C ATOM 1967 O LEU B 60 17.009 15.028 17.051 1.00 0.00 O ATOM 1968 CB LEU B 60 13.935 16.100 17.756 1.00 0.00 C ATOM 1969 CG LEU B 60 12.438 16.066 17.393 1.00 0.00 C ATOM 1970 CD1 LEU B 60 11.604 16.196 18.665 1.00 0.00 C ATOM 1971 CD2 LEU B 60 12.013 17.184 16.438 1.00 0.00 C ATOM 0 H LEU B 60 14.370 14.187 16.059 1.00 0.00 H new ATOM 0 HA LEU B 60 14.785 17.094 16.057 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.162 15.221 18.360 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.117 16.973 18.383 1.00 0.00 H new ATOM 0 HG LEU B 60 12.270 15.115 16.888 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.545 16.172 18.410 1.00 0.00 H new ATOM 0 HD12 LEU B 60 11.834 15.369 19.337 1.00 0.00 H new ATOM 0 HD13 LEU B 60 11.837 17.140 19.158 1.00 0.00 H new ATOM 0 HD21 LEU B 60 10.947 17.097 16.227 1.00 0.00 H new ATOM 0 HD22 LEU B 60 12.214 18.151 16.898 1.00 0.00 H new ATOM 0 HD23 LEU B 60 12.575 17.101 15.508 1.00 0.00 H new ATOM 1983 N ILE B 61 16.911 17.247 17.441 1.00 0.00 N ATOM 1984 CA ILE B 61 18.291 17.462 17.924 1.00 0.00 C ATOM 1985 C ILE B 61 18.302 18.285 19.212 1.00 0.00 C ATOM 1986 O ILE B 61 17.333 18.971 19.532 1.00 0.00 O ATOM 1987 CB ILE B 61 19.183 18.113 16.833 1.00 0.00 C ATOM 1988 CG1 ILE B 61 18.709 19.521 16.395 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.286 17.178 15.621 1.00 0.00 C ATOM 1990 CD1 ILE B 61 19.397 20.682 17.127 1.00 0.00 C ATOM 0 H ILE B 61 16.366 18.109 17.442 1.00 0.00 H new ATOM 0 HA ILE B 61 18.715 16.483 18.149 1.00 0.00 H new ATOM 0 HB ILE B 61 20.166 18.258 17.280 1.00 0.00 H new ATOM 0 HG12 ILE B 61 18.880 19.631 15.324 1.00 0.00 H new ATOM 0 HG13 ILE B 61 17.633 19.594 16.555 1.00 0.00 H new ATOM 0 HG21 ILE B 61 19.913 17.639 14.858 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.727 16.230 15.929 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.291 16.999 15.214 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.004 21.629 16.757 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.205 20.602 18.197 1.00 0.00 H new ATOM 0 HD13 ILE B 61 20.471 20.640 16.947 1.00 0.00 H new ATOM 2002 N GLU B 62 19.404 18.237 19.953 1.00 0.00 N ATOM 2003 CA GLU B 62 19.608 19.012 21.184 1.00 0.00 C ATOM 2004 C GLU B 62 19.914 20.488 20.866 1.00 0.00 C ATOM 2005 O GLU B 62 20.924 20.815 20.235 1.00 0.00 O ATOM 2006 CB GLU B 62 20.729 18.396 22.030 1.00 0.00 C ATOM 2007 CG GLU B 62 20.360 17.003 22.568 1.00 0.00 C ATOM 2008 CD GLU B 62 21.412 16.467 23.563 1.00 0.00 C ATOM 2009 OE1 GLU B 62 21.031 15.868 24.601 1.00 0.00 O ATOM 2010 OE2 GLU B 62 22.636 16.611 23.316 1.00 0.00 O1- ATOM 0 H GLU B 62 20.201 17.647 19.714 1.00 0.00 H new ATOM 0 HA GLU B 62 18.683 18.978 21.760 1.00 0.00 H new ATOM 0 HB2 GLU B 62 21.635 18.322 21.429 1.00 0.00 H new ATOM 0 HB3 GLU B 62 20.955 19.057 22.866 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.388 17.050 23.059 1.00 0.00 H new ATOM 0 HG3 GLU B 62 20.262 16.307 21.735 1.00 0.00 H new ATOM 2017 N GLU B 63 19.039 21.387 21.309 1.00 0.00 N ATOM 2018 CA GLU B 63 19.108 22.825 21.045 1.00 0.00 C ATOM 2019 C GLU B 63 20.218 23.515 21.873 1.00 0.00 C ATOM 2020 O GLU B 63 20.437 23.197 23.045 1.00 0.00 O ATOM 2021 CB GLU B 63 17.717 23.444 21.289 1.00 0.00 C ATOM 2022 CG GLU B 63 17.562 24.953 21.054 1.00 0.00 C ATOM 2023 CD GLU B 63 17.934 25.433 19.636 1.00 0.00 C ATOM 2024 OE1 GLU B 63 19.111 25.290 19.235 1.00 0.00 O ATOM 2025 OE2 GLU B 63 17.065 26.007 18.944 1.00 0.00 O1- ATOM 0 H GLU B 63 18.235 21.128 21.881 1.00 0.00 H new ATOM 0 HA GLU B 63 19.384 22.986 20.003 1.00 0.00 H new ATOM 0 HB2 GLU B 63 17.002 22.928 20.648 1.00 0.00 H new ATOM 0 HB3 GLU B 63 17.431 23.233 22.319 1.00 0.00 H new ATOM 0 HG2 GLU B 63 16.528 25.233 21.257 1.00 0.00 H new ATOM 0 HG3 GLU B 63 18.183 25.484 21.776 1.00 0.00 H new ATOM 2032 N GLN B 64 20.918 24.475 21.254 1.00 0.00 N ATOM 2033 CA GLN B 64 22.077 25.187 21.815 1.00 0.00 C ATOM 2034 C GLN B 64 21.778 26.667 22.155 1.00 0.00 C ATOM 2035 O GLN B 64 22.691 27.459 22.415 1.00 0.00 O ATOM 2036 CB GLN B 64 23.274 25.037 20.853 1.00 0.00 C ATOM 2037 CG GLN B 64 23.601 23.579 20.457 1.00 0.00 C ATOM 2038 CD GLN B 64 23.890 22.677 21.659 1.00 0.00 C ATOM 2039 OE1 GLN B 64 24.672 22.997 22.546 1.00 0.00 O ATOM 2040 NE2 GLN B 64 23.288 21.512 21.740 1.00 0.00 N ATOM 0 H GLN B 64 20.685 24.790 20.312 1.00 0.00 H new ATOM 0 HA GLN B 64 22.327 24.730 22.772 1.00 0.00 H new ATOM 0 HB2 GLN B 64 23.070 25.609 19.948 1.00 0.00 H new ATOM 0 HB3 GLN B 64 24.155 25.480 21.318 1.00 0.00 H new ATOM 0 HG2 GLN B 64 22.764 23.166 19.894 1.00 0.00 H new ATOM 0 HG3 GLN B 64 24.465 23.575 19.792 1.00 0.00 H new ATOM 0 HE21 GLN B 64 22.633 21.225 21.013 1.00 0.00 H new ATOM 0 HE22 GLN B 64 23.476 20.895 22.530 1.00 0.00 H new ATOM 2049 N ASN B 65 20.498 27.053 22.142 1.00 0.00 N ATOM 2050 CA ASN B 65 20.028 28.426 22.389 1.00 0.00 C ATOM 2051 C ASN B 65 20.137 28.857 23.868 1.00 0.00 C ATOM 2052 O ASN B 65 20.265 30.049 24.155 1.00 0.00 O ATOM 2053 CB ASN B 65 18.573 28.513 21.903 1.00 0.00 C ATOM 2054 CG ASN B 65 18.121 29.946 21.685 1.00 0.00 C ATOM 2055 OD1 ASN B 65 17.410 30.532 22.488 1.00 0.00 O ATOM 2056 ND2 ASN B 65 18.517 30.543 20.585 1.00 0.00 N ATOM 0 H ASN B 65 19.736 26.402 21.954 1.00 0.00 H new ATOM 0 HA ASN B 65 20.671 29.115 21.842 1.00 0.00 H new ATOM 0 HB2 ASN B 65 18.470 27.957 20.971 1.00 0.00 H new ATOM 0 HB3 ASN B 65 17.920 28.036 22.633 1.00 0.00 H new ATOM 0 HD21 ASN B 65 18.231 31.504 20.395 1.00 0.00 H new ATOM 0 HD22 ASN B 65 19.110 30.046 19.920 1.00 0.00 H new ATOM 2063 N ARG B 66 20.070 27.894 24.800 1.00 0.00 N ATOM 2064 CA ARG B 66 20.089 28.107 26.262 1.00 0.00 C ATOM 2065 C ARG B 66 21.486 28.470 26.786 1.00 0.00 C ATOM 2066 O ARG B 66 22.471 27.782 26.427 1.00 0.00 O ATOM 2067 CB ARG B 66 19.518 26.874 26.988 1.00 0.00 C ATOM 2068 CG ARG B 66 18.109 26.421 26.537 1.00 0.00 C ATOM 2069 CD ARG B 66 17.026 27.515 26.509 1.00 0.00 C ATOM 2070 NE ARG B 66 16.863 28.189 27.813 1.00 0.00 N ATOM 2071 CZ ARG B 66 15.938 29.077 28.126 1.00 0.00 C ATOM 2072 NH1 ARG B 66 14.982 29.433 27.321 1.00 0.00 N1+ ATOM 2073 NH2 ARG B 66 15.946 29.638 29.301 1.00 0.00 N ATOM 2074 OXT ARG B 66 21.595 29.444 27.568 1.00 0.00 O1- ATOM 0 H ARG B 66 19.998 26.908 24.551 1.00 0.00 H new ATOM 0 HA ARG B 66 19.452 28.965 26.476 1.00 0.00 H new ATOM 0 HB2 ARG B 66 20.208 26.042 26.849 1.00 0.00 H new ATOM 0 HB3 ARG B 66 19.486 27.087 28.056 1.00 0.00 H new ATOM 0 HG2 ARG B 66 18.189 25.991 25.539 1.00 0.00 H new ATOM 0 HG3 ARG B 66 17.775 25.624 27.201 1.00 0.00 H new ATOM 0 HD2 ARG B 66 17.283 28.255 25.751 1.00 0.00 H new ATOM 0 HD3 ARG B 66 16.075 27.072 26.212 1.00 0.00 H new ATOM 0 HE ARG B 66 17.531 27.944 28.544 1.00 0.00 H new ATOM 0 HH11 ARG B 66 14.919 29.020 26.391 1.00 0.00 H new ATOM 0 HH12 ARG B 66 14.295 30.125 27.620 1.00 0.00 H new ATOM 0 HH21 ARG B 66 16.667 29.391 29.979 1.00 0.00 H new ATOM 0 HH22 ARG B 66 15.231 30.324 29.543 1.00 0.00 H new TER 2088 ARG B 66